A0A060XGQ0_ONCMY Loading...

GMP reductase

Catalyzes the irreversible NADPH-dependent deamination of GMP to IMP. It functions in the conversion of nucleobase, nucleoside and nucleotide derivatives of G to A nucleotides, and in maintaining the intracellular balance of A and G nucleotides. Plays a role in modulating cellular differentiation.

AlphaFold DB , UniProt , Accession A0A060XGQ0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gmpr2, Length 348 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.9	Low	91	Very high	235 Å²	235	121.2 Å²	121.2	100%	1.158	60%	0.602	S	S	*	*				0	142.9	0	-70.5	-168.5	-125.1	0	0	108.1
2	P	85.6	Confident	91.6	Very high	123 Å²	123	111.7 Å²	111.7	80%	0.799	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-61.2	142.9	173.7	27.7	-33.9	0	0	0	110.1
3	R	91.9	Very high	92.1	Very high	225 Å²	225	112.3 Å²	112.3	85%	0.849	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-86.5	131.2	171.7	-178	179.6	178.1	-175.1	-2.4	108.3
4	I	92.1	Very high	92.6	Very high	127 Å²	127	106.9 Å²	106.9	65%	0.651	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-102.9	124.9	171	-61.8	174.7	0	0	0	107.5
5	E	91.9	Very high	93	Very high	104 Å²	104	99.9 Å²	99.9	49%	0.486	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-80.9	121.5	168.7	-69.3	-170.5	-156	0	0	109.6	K9	E5-K9 WeakPolarHBondContact OE2-CE 3.46Å; E5-K9 IonicContact OE2-NZ 3.79Å; E5-K9 PolarHBondContact OE2-NZ 3.02Å
6	N	93.8	Very high	93.3	Very high	143 Å²	143	97.9 Å²	97.9	77%	0.765	48%	0.484	S	S	*	.			trans	-94.5	-10.2	-179.7	-64.5	-65.4	0	0	0	112.9
7	D	95.3	Very high	93.7	Very high	126 Å²	126	94.1 Å²	94.1	67%	0.674	47%	0.466	S	S	*	.	S	Bend	trans	-71	137.6	179.4	-64.5	-39.4	0	0	0	110.7	K9	D7-K9 PolarHBondContact O-N 3.25Å
8	I	96.2	Very high	93.9	Very high	119 Å²	119	96.8 Å²	96.8	61%	0.61	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-67.9	119.5	-179.8	-60.9	171.1	0	0	0	109.2	L10	I8-L10 HydrophobicContact CG2-CD2 3.7Å; I8-L10 HydrophobicContact CG2-CG 4.41Å
9	K	97.6	Very high	94.2	Very high	62 Å²	62	96 Å²	96	27%	0.27	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-96.4	144.2	169.4	-52.1	-59.3	177.9	164.7	0	110	E5 D7 Y196 P197 S200	E5-K9 WeakPolarHBondContact OE2-CE 3.46Å; E5-K9 IonicContact OE2-NZ 3.79Å; E5-K9 PolarHBondContact OE2-NZ 3.02Å; D7-K9 PolarHBondContact O-N 3.25Å; K9-Y196 HydrophobicContact CD-CE1 3.9Å; K9-Y196 WeakPolarHBondContact CE-OH 3.45Å; K9-Y196 HydrophobicContact CG-CE1 4.29Å; K9-Y196 PolarHBondContact NZ-OH 3.2Å; K9-P197 HydrophobicContact CB-CB 4.04Å; K9-P197 HydrophobicContact CB-CG 3.62Å; K9-S200 WeakPolarHBondContact CA-OG 3.39Å
10	L	98.4	Very high	94.4	Very high	31 Å²	31	94.9 Å²	94.9	16%	0.162	47%	0.465	C	S	.	.			trans	-123.1	140.7	-167.8	-58.1	172.5	0	0	0	110.6	I8 D14 V15 P197 L199 S200 R335	I8-L10 HydrophobicContact CG2-CD2 3.7Å; I8-L10 HydrophobicContact CG2-CG 4.41Å; L10-D14 HydrophobicContact CB-CB 4.3Å; L10-D14 HydrophobicContact CD2-CB 3.8Å; L10-V15 HydrophobicContact CD1-CG1 3.92Å; L10-P197 CarbonylContact O-C 3.59Å; L10-P197 WeakPolarHBondContact O-CB 3.46Å; L10-L199 HydrophobicContact CB-CD2 3.99Å; L10-L199 WeakPolarHBondContact O-CB 3.47Å; L10-L199 PolarHBondContact O-N 3.27Å; L10-S200 PolarHBondContact N-OG 2.89Å; L10-S200 PolarHBondContact O-N 3.14Å; L10-R335 HydrophobicContact CD1-CG 4.32Å
11	D	98.6	Very high	94.6	Very high	38 Å²	38	100.8 Å²	100.8	20%	0.203	48%	0.483	C	S	.	.			trans	-96.2	170.8	161.8	-87.1	-47.9	0	0	0	110	K13 D14 R189 P197 Q198	D11-K13 HydrophobicContact CB-CG 4.33Å; D11-K13 PolarHBondContact O-N 3Å; D11-K13 VanDerWaalsContact O-N 3.13Å; D11-D14 PolarHBondContact N-OD2 3.27Å; D11-D14 PolarHBondContact O-N 3.11Å; D11-R189 IonicContact OD2-NH1 3.99Å; D11-P197 WeakPolarHBondContact OD1-CA 3.48Å; D11-Q198 PolarHBondContact OD1-N 2.88Å
12	F	98.5	Very high	96.4	Very high	7 Å²	7	91.5 Å²	91.5	3%	0.031	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-55.3	-34.3	179.6	-62.1	-53.4	0	0	0	112.9	D14 Q198 L199 D227 K230 A231	F12-D14 PolarHBondContact O-N 3.04Å; F12-Q198 HydrophobicContact CE2-CB 4.06Å; F12-Q198 HydrophobicContact CE2-CG 3.58Å; F12-Q198 HydrophobicContact CZ-CB 4.26Å; F12-Q198 HydrophobicContact CZ-CG 3.57Å; F12-L199 HydrophobicContact CD1-CB 4.04Å; F12-L199 HydrophobicContact CD1-CD1 4.07Å; F12-L199 HydrophobicContact CE1-CB 4.27Å; F12-L199 HydrophobicContact CE1-CD1 4.17Å; F12-D227 HydrophobicContact CB-CB 4.13Å; F12-D227 HydrophobicContact CD2-CB 3.95Å; F12-D227 HydrophobicContact CG-CB 4.05Å; F12-K230 HydrophobicContact CB-CD 4.03Å; F12-K230 HydrophobicContact CD1-CB 3.8Å; F12-K230 HydrophobicContact CE1-CB 4.4Å; F12-K230 VanDerWaalsContact O-CD 3.27Å; F12-K230 WeakPolarHBondContact O-CD 3.37Å; F12-K230 WeakPolarHBondContact O-CE 3.36Å; F12-K230 PolarHBondContact O-NZ 3.17Å; F12-A231 HydrophobicContact CE1-CB 3.83Å; F12-A231 HydrophobicContact CZ-CB 3.85Å
13	K	97.8	Very high	96.9	Very high	120 Å²	120	91.2 Å²	91.2	52%	0.522	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-67.9	-19.7	-179.8	68.3	174.5	-177.4	63.8	0	114.9	D11 V15	D11-K13 HydrophobicContact CB-CG 4.33Å; D11-K13 PolarHBondContact O-N 3Å; D11-K13 VanDerWaalsContact O-N 3.13Å; K13-V15 PolarHBondContact O-N 2.88Å
14	D	98.5	Very high	97.2	Very high	37 Å²	37	82.2 Å²	82.2	20%	0.198	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-85.1	0	-173.1	-54.4	-44.8	0	0	0	112.5	L10 D11 F12 R335 V336	L10-D14 HydrophobicContact CB-CB 4.3Å; L10-D14 HydrophobicContact CD2-CB 3.8Å; D11-D14 PolarHBondContact N-OD2 3.27Å; D11-D14 PolarHBondContact O-N 3.11Å; F12-D14 PolarHBondContact O-N 3.04Å; D14-R335 CarbonylContact O-C 3.56Å; D14-R335 WeakPolarHBondContact O-CA 3.46Å; D14-V336 PolarHBondContact O-N 3.11Å
15	V	98.7	Very high	97.5	Very high	1 Å²	1	85.4 Å²	85.4	1%	0.006	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.3	-178.9	-56.3	0	0	0	0	114.5	L10 K13 L199 K230 F333 I334 R335	L10-V15 HydrophobicContact CD1-CG1 3.92Å; K13-V15 PolarHBondContact O-N 2.88Å; V15-L199 HydrophobicContact CB-CD2 4.18Å; V15-L199 HydrophobicContact CG1-CD2 3.7Å; V15-L199 HydrophobicContact CG2-CD2 3.36Å; V15-K230 HydrophobicContact CG2-CD 4.18Å; V15-K230 WeakPolarHBondContact O-CE 3.36Å; V15-K230 PolarHBondContact O-NZ 3.28Å; V15-F333 HydrophobicContact CB-CB 4.09Å; V15-F333 HydrophobicContact CB-CD1 3.89Å; V15-F333 HydrophobicContact CB-CG 4.24Å; V15-F333 HydrophobicContact CG1-CB 4.11Å; V15-F333 HydrophobicContact CG1-CG 4.45Å; V15-F333 HydrophobicContact CG2-CD1 3.47Å; V15-F333 VanDerWaalsContact CG2-CD1 3.47Å; V15-F333 HydrophobicContact CG2-CE1 3.86Å; V15-F333 HydrophobicContact CG2-CG 4.13Å; V15-I334 CarbonylContact C-O 3.55Å; V15-I334 WeakPolarHBondContact CA-O 3.27Å; V15-R335 HydrophobicContact CG1-CG 4.49Å
16	L	98.8	Very high	97.7	Very high	68 Å²	68	82.8 Å²	82.8	36%	0.356	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.6	162.8	-64.7	177.8	0	0	0	110.5	F333 I334 V336 Q339	L16-F333 CarbonylContact O-C 3.54Å; L16-F333 WeakPolarHBondContact O-CA 3.44Å; L16-I334 PolarHBondContact N-O 3.36Å; L16-I334 PolarHBondContact O-N 2.86Å; L16-V336 HydrophobicContact CB-CG1 4.34Å; L16-V336 HydrophobicContact CD1-CG1 3.8Å; L16-V336 HydrophobicContact CG-CG1 3.78Å; L16-V336 HydrophobicContact CG-CG2 4.36Å; L16-Q339 HydrophobicContact CD2-CG 4.34Å
17	L	98.8	Very high	97.9	Very high	34 Å²	34	83 Å²	83	18%	0.178	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.9	172	-62.2	93.8	0	0	0	109.7	K230 T315 V319 L327 T331 F333	L17-K230 HydrophobicContact CD1-CG 3.61Å; L17-T315 HydrophobicContact CD1-CG2 4.3Å; L17-T315 HydrophobicContact CD2-CG2 3.81Å; L17-V319 HydrophobicContact CB-CG1 4.42Å; L17-V319 HydrophobicContact CD2-CG1 4.49Å; L17-L327 HydrophobicContact CD2-CD1 4.45Å; L17-T331 HydrophobicContact CD2-CG2 3.94Å; L17-T331 HydrophobicContact CG-CG2 4.42Å; L17-F333 HydrophobicContact CG-CD1 4.38Å; L17-F333 HydrophobicContact CG-CE1 4.06Å
18	R	98.8	Very high	98	Very high	142 Å²	142	81.7 Å²	81.7	54%	0.536	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-69.1	123.3	174.4	-173.4	178.2	-177.1	-141.8	0.8	110.1	T332 I334	R18-T332 HydrophobicContact CB-CG2 4.49Å; R18-T332 WeakPolarHBondContact CB-O 3.14Å; R18-T332 PolarHBondContact N-O 2.84Å; R18-I334 HydrophobicContact CB-CD1 3.69Å; R18-I334 HydrophobicContact CB-CG1 4Å; R18-I334 HydrophobicContact CG-CD1 3.98Å
19	P	98.6	Very high	98.1	Very high	82 Å²	82	80.5 Å²	80.5	53%	0.532	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-65.5	151.7	172.7	28.8	-34.3	0	0	0	110.8	Y318	P19-Y318 CarbonylContact C-O 3.59Å; P19-Y318 VanDerWaalsContact CA-O 3.27Å; P19-Y318 WeakPolarHBondContact CA-O 3.44Å; P19-Y318 HydrophobicContact CB-CD1 4.46Å
20	K	98.4	Very high	98.2	Very high	74 Å²	74	77.9 Å²	77.9	32%	0.322	38%	0.379	S	S	.	.			trans	-133.5	160.1	-179.5	-65.3	-176.4	178.5	175.9	0	109.7	S22 Y318 R330 T332	K20-S22 PolarHBondContact O-N 2.76Å; K20-Y318 PolarHBondContact N-O 3.35Å; K20-R330 WeakPolarHBondContact CD-O 3.47Å; K20-R330 WeakPolarHBondContact CE-O 3.35Å; K20-R330 PolarHBondContact NZ-O 2.9Å; K20-T332 WeakPolarHBondContact CE-OG1 3.32Å; K20-T332 PolarHBondContact NZ-OG1 3.23Å
21	R	98.1	Very high	98.2	Very high	219 Å²	219	79.1 Å²	79.1	83%	0.826	39%	0.386	S	S	*	.			trans	-54.6	127	173.7	-174.2	-178.6	-176.2	-80.9	0.1	109.3
22	S	97.8	Very high	98.2	Very high	40 Å²	40	77.5 Å²	77.5	28%	0.28	38%	0.377	S	S	.	.			trans	-123.7	146.1	-178.1	-178.1	0	0	0	0	110.3	K20 L24 T317 G320	K20-S22 PolarHBondContact O-N 2.76Å; S22-L24 PolarHBondContact OG-N 2.83Å; S22-T317 WeakPolarHBondContact CB-O 3.38Å; S22-T317 PolarHBondContact OG-O 2.78Å; S22-T317 VanDerWaalsContact OG-O 3.07Å; S22-G320 WeakPolarHBondContact OG-CA 3.44Å
23	T	97.6	Very high	98.2	Very high	116 Å²	116	79.1 Å²	79.1	71%	0.712	39%	0.385	S	S	*	.			trans	-101.4	-5.1	171.8	54.8	0	0	0	0	112.6
24	L	97.7	Very high	98.2	Very high	37 Å²	37	74.9 Å²	74.9	19%	0.194	37%	0.366	C	S	.	.			trans	-71.1	136	178.3	-63	162.1	0	0	0	109.4	S22 E29 V30 T317 A321	S22-L24 PolarHBondContact OG-N 2.83Å; L24-E29 WeakPolarHBondContact CA-OE2 3.18Å; L24-E29 HydrophobicContact CD2-CB 4.01Å; L24-V30 HydrophobicContact CD1-CG2 4.18Å; L24-T317 HydrophobicContact CB-CG2 4.32Å; L24-T317 HydrophobicContact CD1-CG2 4.24Å; L24-A321 WeakPolarHBondContact CD1-O 3.48Å
25	K	96.9	Very high	98.2	Very high	194 Å²	194	76.5 Å²	76.5	84%	0.843	38%	0.381	S	S	*	.			trans	-98.5	-25.9	-179.9	-58.2	176.6	-178.8	176.8	0	112.1	E29	K25-E29 WeakPolarHBondContact CB-OE1 3.3Å; K25-E29 PolarHBondContact N-OE2 3.07Å
26	S	97.6	Very high	98.2	Very high	48 Å²	48	77.1 Å²	77.1	34%	0.336	38%	0.383	S	S	.	.			trans	-140.6	149.6	-178.1	178.2	0	0	0	0	112.1	S28 E29	S26-S28 WeakPolarHBondContact CB-OG 3.3Å; S26-S28 PolarHBondContact O-N 3.26Å; S26-S28 PolarHBondContact OG-N 3.34Å; S26-S28 VanDerWaalsContact OG-N 3.14Å; S26-S28 PolarHBondContact OG-OG 2.91Å; S26-E29 PolarHBondContact N-OE1 2.86Å; S26-E29 WeakPolarHBondContact O-CB 3.29Å; S26-E29 PolarHBondContact O-N 3.28Å
27	R	97.4	Very high	98.2	Very high	149 Å²	149	78.8 Å²	78.8	56%	0.562	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-59	-29.1	169.6	-72.5	169.4	-75.8	179.8	-3.8	112.2	E29 V30 R313 T317	R27-E29 PolarHBondContact O-N 2.85Å; R27-V30 WeakPolarHBondContact O-CB 3.41Å; R27-V30 PolarHBondContact O-N 3.34Å; R27-R313 HydrophobicContact CB-CB 4.13Å; R27-R313 VanDerWaalsContact O-CD 3.32Å; R27-R313 WeakPolarHBondContact O-CD 3.47Å; R27-T317 HydrophobicContact CB-CG2 4.38Å; R27-T317 HydrophobicContact CG-CG2 3.86Å
28	S	97.8	Very high	98.2	Very high	98 Å²	98	77.2 Å²	77.2	69%	0.685	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-67.2	-17.1	178.8	60.5	0	0	0	0	113.9	S26 V30	S26-S28 WeakPolarHBondContact CB-OG 3.3Å; S26-S28 PolarHBondContact O-N 3.26Å; S26-S28 PolarHBondContact OG-N 3.34Å; S26-S28 VanDerWaalsContact OG-N 3.14Å; S26-S28 PolarHBondContact OG-OG 2.91Å; S28-V30 VanDerWaalsContact C-N 3.26Å
29	E	98	Very high	98.2	Very high	93 Å²	93	74 Å²	74	44%	0.435	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-77.7	-13.2	177.2	-65.3	165.1	-158.3	0	0	112.6	L24 K25 S26 R27	L24-E29 WeakPolarHBondContact CA-OE2 3.18Å; L24-E29 HydrophobicContact CD2-CB 4.01Å; K25-E29 WeakPolarHBondContact CB-OE1 3.3Å; K25-E29 PolarHBondContact N-OE2 3.07Å; S26-E29 PolarHBondContact N-OE1 2.86Å; S26-E29 WeakPolarHBondContact O-CB 3.29Å; S26-E29 PolarHBondContact O-N 3.28Å; R27-E29 PolarHBondContact O-N 2.85Å
30	V	98.7	Very high	98.2	Very high	8 Å²	8	71.8 Å²	71.8	5%	0.048	36%	0.359	C	S	.	.			trans	-80.3	122	-175.5	178.7	0	0	0	0	111.1	L24 R27 S28 L32 R313 C316 T317 G322	L24-V30 HydrophobicContact CD1-CG2 4.18Å; R27-V30 WeakPolarHBondContact O-CB 3.41Å; R27-V30 PolarHBondContact O-N 3.34Å; S28-V30 VanDerWaalsContact C-N 3.26Å; V30-L32 HydrophobicContact CG1-CD2 3.86Å; V30-R313 HydrophobicContact CB-CB 4.22Å; V30-R313 HydrophobicContact CB-CG 3.99Å; V30-R313 HydrophobicContact CG1-CB 4.49Å; V30-R313 HydrophobicContact CG1-CG 4.15Å; V30-C316 HydrophobicContact CB-CB 4.38Å; V30-C316 HydrophobicContact CG1-CB 3.56Å; V30-C316 HydrophobicContact CG2-CB 3.89Å; V30-T317 HydrophobicContact CG2-CG2 3.82Å; V30-G322 WeakPolarHBondContact CA-O 3.43Å
31	D	98.8	Very high	98.2	Very high	56 Å²	56	68.7 Å²	68.7	30%	0.299	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-85	114.7	170.5	-176.2	8.2	0	0	0	110.6	M33 G322 K323 L324	D31-M33 VanDerWaalsContact OD1-CB 3.23Å; D31-M33 WeakPolarHBondContact OD1-CB 3.14Å; D31-M33 WeakPolarHBondContact OD1-CG 3.25Å; D31-M33 PolarHBondContact OD1-N 2.91Å; D31-G322 PolarHBondContact N-O 2.98Å; D31-K323 HydrophobicContact CB-CG 4.17Å; D31-K323 CarbonylContact O-C 3.52Å; D31-K323 VanDerWaalsContact O-CA 3.29Å; D31-K323 WeakPolarHBondContact O-CA 3.45Å; D31-L324 PolarHBondContact O-N 3.26Å
32	L	98.8	Very high	98.2	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.339	C	S	.	.			trans	-88.5	-7.5	177	-64.8	-172.3	0	0	0	113.6	V30 I48 L309 V312 R313 L324	V30-L32 HydrophobicContact CG1-CD2 3.86Å; L32-I48 HydrophobicContact CB-CD1 4.02Å; L32-I48 HydrophobicContact CB-CG1 4.05Å; L32-I48 HydrophobicContact CB-CG2 4.36Å; L32-L309 HydrophobicContact CD1-CB 3.92Å; L32-L309 HydrophobicContact CD1-CD2 3.74Å; L32-L309 HydrophobicContact CD1-CG 4.33Å; L32-V312 HydrophobicContact CD2-CB 4.38Å; L32-V312 HydrophobicContact CD2-CG1 3.68Å; L32-R313 HydrophobicContact CD1-CG 3.82Å; L32-R313 HydrophobicContact CD2-CG 3.93Å; L32-R313 HydrophobicContact CG-CG 3.84Å; L32-L324 HydrophobicContact CD2-CB 4.38Å; L32-L324 WeakPolarHBondContact O-CD2 3.34Å
33	M	98.6	Very high	98.2	Very high	40 Å²	40	64.6 Å²	64.6	20%	0.197	34%	0.336	C	S	.	.			trans	-69.4	139.4	-179.6	-60.5	-70.9	-76.8	0	0	110.5	D31 R46 G47 I48 T71	D31-M33 VanDerWaalsContact OD1-CB 3.23Å; D31-M33 WeakPolarHBondContact OD1-CB 3.14Å; D31-M33 WeakPolarHBondContact OD1-CG 3.25Å; D31-M33 PolarHBondContact OD1-N 2.91Å; M33-R46 HydrophobicContact CE-CG 3.77Å; M33-G47 WeakPolarHBondContact CA-O 3.5Å; M33-G47 VanDerWaalsContact CE-CA 3.48Å; M33-I48 HydrophobicContact SD-CG1 3.8Å; M33-T71 PolarHBondContact SD-OG1 3.15Å
34	R	98.6	Very high	98.2	Very high	32 Å²	32	63.4 Å²	63.4	12%	0.121	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154.9	167.2	-66.3	-66.1	-67.3	-86.4	-1	109.7	Y36 R46 G47 P49 D237 L324	R34-Y36 HydrophobicContact CB-CD2 4.37Å; R34-Y36 HydrophobicContact CB-CE1 4.4Å; R34-Y36 HydrophobicContact CB-CE2 3.69Å; R34-Y36 HydrophobicContact CG-CE2 4.38Å; R34-Y36 PolarHBondContact NE-OH 2.78Å; R34-Y36 PolarHBondContact NH1-OH 2.65Å; R34-Y36 VanDerWaalsContact NH1-OH 3.1Å; R34-Y36 PolarHBondContact NH2-OH 3.48Å; R34-Y36 VanDerWaalsContact NH2-OH 3.13Å; R34-R46 VanDerWaalsContact O-CA 3.31Å; R34-R46 WeakPolarHBondContact O-CA 3.28Å; R34-G47 PolarHBondContact N-O 3.32Å; R34-G47 PolarHBondContact O-N 3.36Å; R34-P49 HydrophobicContact CB-CG 4.29Å; R34-P49 HydrophobicContact CG-CG 3.77Å; R34-D237 IonicContact NH2-OD1 2.72Å; R34-L324 HydrophobicContact CG-CD2 4.14Å; R34-L324 HydrophobicContact CG-CG 4.43Å
35	S	98.5	Very high	98.2	Very high	71 Å²	71	62.3 Å²	62.3	50%	0.497	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.6	168.8	-66	0	0	0	0	108.7	Y45 R46	S35-Y45 WeakPolarHBondContact CA-O 3.21Å; S35-R46 PolarHBondContact OG-NH1 2.89Å
36	Y	98.6	Very high	98.3	Very high	13 Å²	13	60.5 Å²	60.5	5%	0.051	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.4	-177.9	-59.2	-60.1	0	0	0	110	R34 S44 Y45 P49 H215 D237 F238	R34-Y36 HydrophobicContact CB-CD2 4.37Å; R34-Y36 HydrophobicContact CB-CE1 4.4Å; R34-Y36 HydrophobicContact CB-CE2 3.69Å; R34-Y36 HydrophobicContact CG-CE2 4.38Å; R34-Y36 PolarHBondContact NE-OH 2.78Å; R34-Y36 PolarHBondContact NH1-OH 2.65Å; R34-Y36 VanDerWaalsContact NH1-OH 3.1Å; R34-Y36 PolarHBondContact NH2-OH 3.48Å; R34-Y36 VanDerWaalsContact NH2-OH 3.13Å; Y36-S44 VanDerWaalsContact O-CA 3.25Å; Y36-S44 WeakPolarHBondContact O-CA 3.45Å; Y36-Y45 AromaticContact CD2-CD1 3.5Å; Y36-Y45 HydrophobicContact CD2-CD1 3.5Å; Y36-Y45 VanDerWaalsContact CD2-CD1 3.5Å; Y36-Y45 HydrophobicContact CD2-CE1 4.13Å; Y36-Y45 HydrophobicContact CD2-CG 4.29Å; Y36-Y45 HydrophobicContact CE2-CD1 4.07Å; Y36-Y45 HydrophobicContact CE2-CE1 4.24Å; Y36-Y45 HydrophobicContact CG-CD1 4.47Å; Y36-Y45 PolarHBondContact N-O 3.47Å; Y36-Y45 PolarHBondContact O-N 3.2Å; Y36-P49 HydrophobicContact CE2-CB 4.33Å; Y36-H215 AromaticContact CD1-CD2 3.4Å; Y36-H215 WeakPolarHBondContact CD1-CD2 3.22Å; Y36-H215 AromaticContact CD1-NE2 3.19Å; Y36-H215 WeakPolarHBondContact CD1-NE2 3.49Å; Y36-H215 AromaticContact CE1-CD2 3.71Å; Y36-H215 AromaticContact CE1-NE2 3.92Å; Y36-H215 AromaticContact CG-CD2 3.76Å; Y36-H215 AromaticContact CG-NE2 3.61Å; Y36-D237 HydrophobicContact CE1-CB 4.21Å; Y36-D237 HydrophobicContact CE2-CB 4.25Å; Y36-D237 WeakPolarHBondContact OH-CA 3.4Å; Y36-D237 WeakPolarHBondContact OH-CB 3.24Å; Y36-D237 PolarHBondContact OH-O 3.32Å; Y36-F238 AromaticContact CD2-CE2 3.72Å; Y36-F238 HydrophobicContact CD2-CE2 3.72Å; Y36-F238 AromaticContact CD2-CZ 3.54Å; Y36-F238 HydrophobicContact CD2-CZ 3.54Å; Y36-F238 HydrophobicContact CE2-CD2 4.29Å; Y36-F238 HydrophobicContact CE2-CE1 4.28Å; Y36-F238 AromaticContact CE2-CE2 3.56Å; Y36-F238 HydrophobicContact CE2-CE2 3.56Å; Y36-F238 AromaticContact CE2-CZ 3.56Å; Y36-F238 HydrophobicContact CE2-CZ 3.56Å
37	T	98.5	Very high	98.3	Very high	103 Å²	103	58.3 Å²	58.3	63%	0.632	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.8	163	-59.3	0	0	0	0	106.3	G43 H215	T37-G43 WeakPolarHBondContact CA-O 3.36Å; T37-H215 PolarHBondContact O-CE1 3.46Å
38	F	98.8	Very high	98.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.275	C	S	.	.			trans	-85.4	143.1	-173.3	-61.9	-59.7	0	0	0	112	N40 S41 K42 G43 Y45 Y125 T153 D174 I175 H215 F238	F38-N40 PolarHBondContact O-N 2.95Å; F38-S41 WeakPolarHBondContact CB-OG 3.47Å; F38-K42 VanDerWaalsContact O-CA 3.32Å; F38-K42 WeakPolarHBondContact O-CA 3.28Å; F38-K42 PolarHBondContact O-N 3.13Å; F38-G43 WeakPolarHBondContact CD2-O 3.45Å; F38-G43 PolarHBondContact N-O 3.31Å; F38-Y45 HydrophobicContact CZ-CG 4.32Å; F38-Y125 AromaticContact CE2-CE1 3.68Å; F38-Y125 HydrophobicContact CE2-CE1 3.68Å; F38-Y125 HydrophobicContact CZ-CE1 4.12Å; F38-T153 HydrophobicContact CB-CG2 4.27Å; F38-T153 HydrophobicContact CD1-CG2 4.1Å; F38-T153 HydrophobicContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-OG1 3.27Å; F38-T153 WeakPolarHBondContact CD2-OG1 3.19Å; F38-T153 HydrophobicContact CE1-CG2 4.31Å; F38-T153 HydrophobicContact CE2-CG2 3.63Å; F38-T153 HydrophobicContact CG-CG2 3.66Å; F38-T153 HydrophobicContact CZ-CG2 4.08Å; F38-D174 HydrophobicContact CB-CB 3.96Å; F38-D174 HydrophobicContact CD1-CB 4.34Å; F38-D174 HydrophobicContact CG-CB 4.29Å; F38-I175 HydrophobicContact CD1-CD1 4.13Å; F38-I175 HydrophobicContact CD1-CG1 4.02Å; F38-I175 HydrophobicContact CE1-CD1 3.48Å; F38-I175 VanDerWaalsContact CE1-CD1 3.48Å; F38-I175 HydrophobicContact CE1-CG1 3.83Å; F38-I175 HydrophobicContact CZ-CD1 3.8Å; F38-H215 AromaticContact CD1-ND1 3.81Å; F38-F238 HydrophobicContact CE1-CE2 4.3Å; F38-F238 HydrophobicContact CE1-CZ 4.39Å; F38-F238 HydrophobicContact CZ-CZ 4.22Å
39	R	98.6	Very high	98.4	Very high	73 Å²	73	47.1 Å²	47.1	28%	0.275	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-51	-169.9	-174.1	-166.8	-176.9	-101.8	6.7	112.7	K42 L212	R39-K42 WeakPolarHBondContact O-CD 3.13Å; R39-K42 VanDerWaalsContact O-CE 3.27Å; R39-K42 WeakPolarHBondContact O-CE 3.41Å; R39-K42 PolarHBondContact O-NZ 2.94Å; R39-L212 WeakPolarHBondContact CD-O 3.11Å; R39-L212 PolarHBondContact NE-O 2.8Å
40	N	98.8	Very high	98.4	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.193	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-46.1	-166.1	-67.1	-33.2	0	0	0	110.8	F38 K42 I169 G172 A173 D174	F38-N40 PolarHBondContact O-N 2.95Å; N40-K42 VanDerWaalsContact C-N 3.27Å; N40-K42 PolarHBondContact O-N 3.46Å; N40-I169 PolarHBondContact ND2-O 2.82Å; N40-G172 WeakPolarHBondContact ND2-CA 3.15Å; N40-G172 PolarHBondContact ND2-O 3.49Å; N40-A173 PolarHBondContact ND2-O 2.82Å; N40-D174 WeakPolarHBondContact CA-OD1 3.5Å; N40-D174 VanDerWaalsContact CB-OD1 3.31Å; N40-D174 WeakPolarHBondContact CB-OD1 3.48Å; N40-D174 PolarHBondContact N-OD1 2.84Å
41	S	98.6	Very high	98.5	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.07	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.5	178.2	73.7	0	0	0	0	113.6	F38 G43 H152 T153 D174	F38-S41 WeakPolarHBondContact CB-OG 3.47Å; S41-G43 PolarHBondContact O-N 3.25Å; S41-G43 VanDerWaalsContact O-N 3.08Å; S41-G43 PolarHBondContact OG-N 2.81Å; S41-H152 WeakPolarHBondContact CB-O 3.33Å; S41-T153 PolarHBondContact OG-OG1 3.24Å; S41-D174 WeakPolarHBondContact CB-OD2 3.45Å; S41-D174 PolarHBondContact N-OD1 2.95Å
42	K	98.5	Very high	98.5	Very high	152 Å²	152	39.8 Å²	39.8	66%	0.661	21%	0.206	S	C	*	.			trans	59.4	8.2	-167.2	-45.9	-56.4	-180	-174.5	0	113.7	F38 R39 N40	F38-K42 VanDerWaalsContact O-CA 3.32Å; F38-K42 WeakPolarHBondContact O-CA 3.28Å; F38-K42 PolarHBondContact O-N 3.13Å; R39-K42 WeakPolarHBondContact O-CD 3.13Å; R39-K42 VanDerWaalsContact O-CE 3.27Å; R39-K42 WeakPolarHBondContact O-CE 3.41Å; R39-K42 PolarHBondContact O-NZ 2.94Å; N40-K42 VanDerWaalsContact C-N 3.27Å; N40-K42 PolarHBondContact O-N 3.46Å
43	G	97.2	Very high	98.5	Very high	21 Å²	21	39.7 Å²	39.7	22%	0.216	21%	0.206	C	C	.	.			trans	-66.4	164.2	175.1	0	0	0	0	0	111.6	T37 F38 S41	T37-G43 WeakPolarHBondContact CA-O 3.36Å; F38-G43 WeakPolarHBondContact CD2-O 3.45Å; F38-G43 PolarHBondContact N-O 3.31Å; S41-G43 PolarHBondContact O-N 3.25Å; S41-G43 VanDerWaalsContact O-N 3.08Å; S41-G43 PolarHBondContact OG-N 2.81Å
44	S	96.9	Very high	98.5	Very high	91 Å²	91	38.6 Å²	38.6	64%	0.636	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.3	176.7	69.4	0	0	0	0	111.4	Y36 Y125	Y36-S44 VanDerWaalsContact O-CA 3.25Å; Y36-S44 WeakPolarHBondContact O-CA 3.45Å; S44-Y125 PolarHBondContact O-OH 3.11Å
45	Y	98.4	Very high	98.5	Very high	13 Å²	13	38.2 Å²	38.2	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.9	175.8	168.8	-93.6	0	0	0	109.8	S35 Y36 F38 G47 I48 P49 F73 F238	S35-Y45 WeakPolarHBondContact CA-O 3.21Å; Y36-Y45 AromaticContact CD2-CD1 3.5Å; Y36-Y45 HydrophobicContact CD2-CD1 3.5Å; Y36-Y45 VanDerWaalsContact CD2-CD1 3.5Å; Y36-Y45 HydrophobicContact CD2-CE1 4.13Å; Y36-Y45 HydrophobicContact CD2-CG 4.29Å; Y36-Y45 HydrophobicContact CE2-CD1 4.07Å; Y36-Y45 HydrophobicContact CE2-CE1 4.24Å; Y36-Y45 HydrophobicContact CG-CD1 4.47Å; Y36-Y45 PolarHBondContact N-O 3.47Å; Y36-Y45 PolarHBondContact O-N 3.2Å; F38-Y45 HydrophobicContact CZ-CG 4.32Å; Y45-G47 VanDerWaalsContact OH-CA 3.28Å; Y45-G47 WeakPolarHBondContact OH-CA 3.5Å; Y45-G47 PolarHBondContact OH-O 3.48Å; Y45-I48 PolarHBondContact OH-N 3.35Å; Y45-I48 PolarHBondContact OH-O 3.02Å; Y45-P49 HydrophobicContact CE1-CB 4.31Å; Y45-P49 WeakPolarHBondContact OH-CA 3.2Å; Y45-F73 AromaticContact CE2-CD2 3.95Å; Y45-F73 HydrophobicContact CE2-CD2 3.95Å; Y45-F238 HydrophobicContact CD1-CE1 4.19Å; Y45-F238 HydrophobicContact CD1-CZ 4Å; Y45-F238 HydrophobicContact CD2-CE1 4.36Å; Y45-F238 HydrophobicContact CD2-CZ 4.47Å; Y45-F238 AromaticContact CE1-CE1 3.81Å; Y45-F238 HydrophobicContact CE1-CE1 3.81Å; Y45-F238 HydrophobicContact CE1-CZ 4.07Å; Y45-F238 HydrophobicContact CE2-CE1 4.02Å; Y45-F238 HydrophobicContact CG-CE1 4.43Å; Y45-F238 HydrophobicContact CG-CZ 4.19Å; Y45-F238 AromaticContact CZ-CE1 3.71Å
46	R	97.9	Very high	98.4	Very high	157 Å²	157	35.3 Å²	35.3	59%	0.592	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142	114.5	165.3	179.4	169.4	177.1	72.9	4.8	110.2	M33 R34 S35	M33-R46 HydrophobicContact CE-CG 3.77Å; R34-R46 VanDerWaalsContact O-CA 3.31Å; R34-R46 WeakPolarHBondContact O-CA 3.28Å; S35-R46 PolarHBondContact OG-NH1 2.89Å
47	G	98.4	Very high	98.3	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-179.6	-176.6	0	0	0	0	0	112.1	M33 R34 Y45	M33-G47 WeakPolarHBondContact CA-O 3.5Å; M33-G47 VanDerWaalsContact CE-CA 3.48Å; R34-G47 PolarHBondContact N-O 3.32Å; R34-G47 PolarHBondContact O-N 3.36Å; Y45-G47 VanDerWaalsContact OH-CA 3.28Å; Y45-G47 WeakPolarHBondContact OH-CA 3.5Å; Y45-G47 PolarHBondContact OH-O 3.48Å
48	I	98.8	Very high	98.4	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.062	15%	0.147	C	C	.	.			trans	-85.2	117.7	167.7	-59.6	179.5	0	0	0	107.3	L32 M33 Y45 I50 F70 T71 L72 L309	L32-I48 HydrophobicContact CB-CD1 4.02Å; L32-I48 HydrophobicContact CB-CG1 4.05Å; L32-I48 HydrophobicContact CB-CG2 4.36Å; M33-I48 HydrophobicContact SD-CG1 3.8Å; Y45-I48 PolarHBondContact OH-N 3.35Å; Y45-I48 PolarHBondContact OH-O 3.02Å; I48-I50 HydrophobicContact CG2-CD1 4.27Å; I48-I50 HydrophobicContact CG2-CG1 4.26Å; I48-I50 PolarHBondContact O-N 3.3Å; I48-F70 WeakPolarHBondContact CD1-O 3.47Å; I48-T71 PolarHBondContact N-O 2.94Å; I48-L72 HydrophobicContact CB-CD1 3.8Å; I48-L72 HydrophobicContact CB-CG 4.39Å; I48-L72 HydrophobicContact CD1-CD1 4.08Å; I48-L72 HydrophobicContact CG1-CD1 4.46Å; I48-L72 HydrophobicContact CG2-CD1 3.98Å; I48-L72 HydrophobicContact CG2-CG 4.45Å; I48-L309 HydrophobicContact CD1-CD1 4.02Å; I48-L309 HydrophobicContact CD1-CD2 4.17Å; I48-L309 HydrophobicContact CG2-CD2 3.79Å
49	P	98.7	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.			trans	-82.1	52.6	-167.1	38.2	-42.7	0	0	0	112.6	R34 Y36 Y45 F232 D237 F238 V239 L324	R34-P49 HydrophobicContact CB-CG 4.29Å; R34-P49 HydrophobicContact CG-CG 3.77Å; Y36-P49 HydrophobicContact CE2-CB 4.33Å; Y45-P49 HydrophobicContact CE1-CB 4.31Å; Y45-P49 WeakPolarHBondContact OH-CA 3.2Å; P49-F232 HydrophobicContact CB-CE1 4.47Å; P49-F232 HydrophobicContact CG-CE1 3.69Å; P49-F232 HydrophobicContact CG-CZ 3.89Å; P49-D237 WeakPolarHBondContact CB-O 3.39Å; P49-D237 VanDerWaalsContact CG-O 3.28Å; P49-D237 WeakPolarHBondContact CG-O 3.46Å; P49-F238 HydrophobicContact CB-CB 4.32Å; P49-F238 HydrophobicContact CB-CD1 3.29Å; P49-F238 HydrophobicContact CB-CE1 3.64Å; P49-F238 HydrophobicContact CB-CG 3.82Å; P49-F238 HydrophobicContact CB-CZ 4.41Å; P49-F238 CarbonylContact O-C 3.49Å; P49-F238 WeakPolarHBondContact O-CA 3.49Å; P49-V239 PolarHBondContact O-N 3.39Å; P49-L324 HydrophobicContact CG-CD2 3.9Å
50	I	98.9	Very high	98.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.5	169.4	-62.6	174.8	0	0	0	107	I48 L72 F73 V228 F232 V239 L241 V308 L309	I48-I50 HydrophobicContact CG2-CD1 4.27Å; I48-I50 HydrophobicContact CG2-CG1 4.26Å; I48-I50 PolarHBondContact O-N 3.3Å; I50-L72 HydrophobicContact CB-CD2 3.81Å; I50-L72 HydrophobicContact CB-CG 4.05Å; I50-L72 HydrophobicContact CG2-CD2 3.87Å; I50-F73 PolarHBondContact O-N 3.32Å; I50-V228 HydrophobicContact CD1-CG1 4.16Å; I50-V228 HydrophobicContact CG1-CG1 4.49Å; I50-F232 HydrophobicContact CD1-CE2 4.43Å; I50-F232 HydrophobicContact CG1-CE2 4.11Å; I50-F232 HydrophobicContact CG1-CZ 3.91Å; I50-V239 WeakPolarHBondContact CA-O 3.36Å; I50-L241 HydrophobicContact CG2-CD1 3.64Å; I50-L241 HydrophobicContact CG2-CG 4.1Å; I50-V308 HydrophobicContact CD1-CG1 3.78Å; I50-L309 HydrophobicContact CD1-CD2 3.8Å
51	V	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.1	-170.7	-172.5	0	0	0	0	109.7	F73 A75 F238 V239 M240 L241	V51-F73 CarbonylContact C-O 3.58Å; V51-F73 VanDerWaalsContact CA-O 3.31Å; V51-F73 WeakPolarHBondContact CA-O 3.49Å; V51-F73 HydrophobicContact CG1-CD1 4.02Å; V51-F73 HydrophobicContact CG2-CB 4.17Å; V51-F73 HydrophobicContact CG2-CD1 4.47Å; V51-A75 HydrophobicContact CG1-CB 4.14Å; V51-F238 HydrophobicContact CG2-CB 4.17Å; V51-F238 HydrophobicContact CG2-CD1 3.97Å; V51-F238 HydrophobicContact CG2-CG 4.47Å; V51-V239 PolarHBondContact N-O 3.36Å; V51-M240 HydrophobicContact CB-CB 4.2Å; V51-M240 HydrophobicContact CB-CE 4.27Å; V51-M240 HydrophobicContact CB-CG 4.49Å; V51-M240 HydrophobicContact CG1-CE 3.6Å; V51-M240 CarbonylContact O-C 3.52Å; V51-M240 VanDerWaalsContact O-CA 3.27Å; V51-M240 WeakPolarHBondContact O-CA 3.04Å; V51-L241 PolarHBondContact O-N 3.37Å
52	A	98.9	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.9	164.1	0	0	0	0	0	110.1	V58 M63 L67 F73 T74 A75 L245	A52-V58 HydrophobicContact CB-CG1 4.17Å; A52-M63 HydrophobicContact CB-CG 3.93Å; A52-L67 HydrophobicContact CB-CD2 3.61Å; A52-F73 PolarHBondContact N-O 2.87Å; A52-T74 HydrophobicContact CB-CG2 3.96Å; A52-A75 PolarHBondContact O-N 2.91Å; A52-L245 HydrophobicContact CB-CD1 3.74Å
53	A	98.8	Very high	98.4	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	12%	0.117	C	C	.	.			trans	-66.3	145.8	-177.3	0	0	0	0	0	112.2	M55 G59 M240 L241	A53-M55 HydrophobicContact CB-CG 4.14Å; A53-M55 HydrophobicContact CB-SD 4.41Å; A53-M55 PolarHBondContact O-N 3.43Å; A53-G59 VanDerWaalsContact O-CA 3.25Å; A53-G59 WeakPolarHBondContact O-CA 3.42Å; A53-G59 PolarHBondContact O-N 3.18Å; A53-M240 HydrophobicContact CB-CG 3.68Å; A53-M240 HydrophobicContact CB-SD 3.96Å; A53-L241 WeakPolarHBondContact CB-O 3.37Å; A53-L241 PolarHBondContact N-O 2.86Å
54	N	98.6	Very high	98.5	Very high	17 Å²	17	21.8 Å²	21.8	9%	0.091	11%	0.108	C	C	.	.	S	Bend	trans	-72.7	34.8	-179.4	60.8	-56.8	0	0	0	114.7	A75 H77 S102 D129	N54-A75 WeakPolarHBondContact CA-O 3.48Å; N54-A75 HydrophobicContact CB-CB 3.89Å; N54-A75 PolarHBondContact N-O 3.43Å; N54-H77 WeakPolarHBondContact O-CA 3.49Å; N54-H77 WeakPolarHBondContact O-CB 3.49Å; N54-S102 WeakPolarHBondContact CB-OG 3.43Å; N54-D129 WeakPolarHBondContact ND2-CB 3.42Å; N54-D129 PolarHBondContact ND2-OD2 3.31Å
55	M	98.3	Very high	98.5	Very high	25 Å²	25	20.1 Å²	20.1	12%	0.123	9%	0.091	C	C	.	.			trans	-86.1	144.5	173.3	-54	178.4	67.2	0	0	109.7	A53 T57 V58 G59 V185 F266 Y267 M269	A53-M55 HydrophobicContact CB-CG 4.14Å; A53-M55 HydrophobicContact CB-SD 4.41Å; A53-M55 PolarHBondContact O-N 3.43Å; M55-T57 PolarHBondContact O-N 3.48Å; M55-V58 HydrophobicContact CB-CB 4.22Å; M55-V58 HydrophobicContact CB-CG2 4.28Å; M55-V58 PolarHBondContact O-N 3.05Å; M55-V58 HydrophobicContact SD-CG2 4.46Å; M55-G59 PolarHBondContact O-N 2.94Å; M55-V185 HydrophobicContact CE-CG2 3.88Å; M55-F266 HydrophobicContact CE-CD2 4.32Å; M55-F266 HydrophobicContact CE-CE2 3.37Å; M55-F266 HydrophobicContact CE-CZ 3.7Å; M55-F266 HydrophobicContact SD-CE2 3.73Å; M55-F266 HydrophobicContact SD-CZ 3.91Å; M55-Y267 WeakPolarHBondContact CE-O 3.19Å; M55-M269 HydrophobicContact CB-CG 4.36Å; M55-M269 HydrophobicContact CB-SD 4.1Å; M55-M269 HydrophobicContact CG-CG 4.24Å
56	D	97	Very high	98.5	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.053	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.8	179.3	67.6	-10.1	0	0	0	114.3	H77 Y267 M269 R277 H278	D56-H77 HydrophobicContact CB-CB 4.34Å; D56-Y267 WeakPolarHBondContact OD1-CE2 3.4Å; D56-Y267 PolarHBondContact OD1-OH 2.94Å; D56-Y267 WeakPolarHBondContact OD2-CE2 3.46Å; D56-Y267 PolarHBondContact OD2-OH 3.21Å; D56-M269 HydrophobicContact CB-CE 4.24Å; D56-M269 HydrophobicContact CB-SD 4.44Å; D56-R277 IonicContact OD2-NH1 3.85Å; D56-H278 IonicContact OD2-CD2 3.39Å; D56-H278 IonicContact OD2-CE1 2.8Å; D56-H278 IonicContact OD2-NE2 3.88Å; D56-H278 PolarHBondContact OD2-NE2 2.73Å
57	T	97.9	Very high	98.6	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.9	174.9	45.6	0	0	0	0	113.5	M55 S251 G252 F266 Y267	M55-T57 PolarHBondContact O-N 3.48Å; T57-S251 WeakPolarHBondContact O-CA 3.47Å; T57-S251 VanDerWaalsContact O-CB 3.28Å; T57-S251 WeakPolarHBondContact O-CB 3.19Å; T57-G252 PolarHBondContact O-N 3.47Å; T57-F266 WeakPolarHBondContact OG1-CD2 3.38Å; T57-Y267 HydrophobicContact CG2-CD1 4.21Å; T57-Y267 HydrophobicContact CG2-CE1 3.7Å; T57-Y267 HydrophobicContact CG2-CE2 4.46Å
58	V	98.8	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-57.4	-175	-179.6	0	0	0	0	112.3	A52 M55 T60 M63 L245 A246 F266	A52-V58 HydrophobicContact CB-CG1 4.17Å; M55-V58 HydrophobicContact CB-CB 4.22Å; M55-V58 HydrophobicContact CB-CG2 4.28Å; M55-V58 PolarHBondContact O-N 3.05Å; M55-V58 HydrophobicContact SD-CG2 4.46Å; V58-T60 PolarHBondContact O-N 3.23Å; V58-M63 WeakPolarHBondContact O-CB 3.5Å; V58-M63 VanDerWaalsContact O-CG 3.29Å; V58-M63 WeakPolarHBondContact O-CG 3.44Å; V58-L245 HydrophobicContact CG1-CB 3.88Å; V58-L245 HydrophobicContact CG1-CD1 4.37Å; V58-A246 HydrophobicContact CG2-CB 4.29Å; V58-F266 HydrophobicContact CG2-CD2 4.46Å; V58-F266 HydrophobicContact CG2-CE2 3.89Å
59	G	98.7	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-79.6	55.1	-176.2	0	0	0	0	0	112.4	A53 M55 A75 I76 H77	A53-G59 VanDerWaalsContact O-CA 3.25Å; A53-G59 WeakPolarHBondContact O-CA 3.42Å; A53-G59 PolarHBondContact O-N 3.18Å; M55-G59 PolarHBondContact O-N 2.94Å; G59-A75 WeakPolarHBondContact CA-O 3.44Å; G59-I76 WeakPolarHBondContact O-CA 2.87Å; G59-H77 PolarHBondContact O-CD2 3.06Å; G59-H77 PolarHBondContact O-N 3.33Å
60	T	98.9	Very high	98.4	Very high	4 Å²	4	23 Å²	23	3%	0.025	11%	0.113	C	C	.	.			trans	-89	165.2	179	61.7	0	0	0	0	111.1	V58 E62 M63 A64 E250	V58-T60 PolarHBondContact O-N 3.23Å; T60-E62 VanDerWaalsContact C-N 3.32Å; T60-E62 WeakPolarHBondContact CB-OE2 3.29Å; T60-M63 PolarHBondContact O-N 2.87Å; T60-M63 VanDerWaalsContact OG1-CB 3.29Å; T60-M63 WeakPolarHBondContact OG1-CB 3.28Å; T60-M63 PolarHBondContact OG1-N 3.32Å; T60-M63 VanDerWaalsContact OG1-N 3.11Å; T60-A64 PolarHBondContact O-N 2.86Å; T60-E250 PolarHBondContact OG1-O 3.05Å
61	F	98.8	Very high	98.4	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-35.5	174	-75.3	-41.4	0	0	0	112.7	M63 A64 L65 I76 Y80 D84 W85 F88 M99	F61-M63 VanDerWaalsContact C-N 3.34Å; F61-A64 WeakPolarHBondContact O-CB 3.48Å; F61-A64 PolarHBondContact O-N 3.44Å; F61-L65 PolarHBondContact O-N 3.11Å; F61-I76 HydrophobicContact CD1-CD1 4.03Å; F61-I76 HydrophobicContact CD1-CG2 4.48Å; F61-I76 HydrophobicContact CE1-CD1 4.33Å; F61-I76 HydrophobicContact CE1-CG1 4.38Å; F61-I76 HydrophobicContact CE1-CG2 4.02Å; F61-I76 HydrophobicContact CZ-CG2 4.44Å; F61-Y80 HydrophobicContact CB-CE2 4.42Å; F61-Y80 HydrophobicContact CD1-CE2 4.33Å; F61-Y80 HydrophobicContact CD2-CD1 4.03Å; F61-Y80 AromaticContact CD2-CD2 3.68Å; F61-Y80 HydrophobicContact CD2-CD2 3.68Å; F61-Y80 AromaticContact CD2-CE1 3.78Å; F61-Y80 HydrophobicContact CD2-CE1 3.78Å; F61-Y80 AromaticContact CD2-CE2 3.39Å; F61-Y80 HydrophobicContact CD2-CE2 3.39Å; F61-Y80 AromaticContact CD2-CG 3.98Å; F61-Y80 HydrophobicContact CD2-CG 3.98Å; F61-Y80 AromaticContact CD2-CZ 3.44Å; F61-Y80 VanDerWaalsContact CD2-CZ 3.44Å; F61-Y80 HydrophobicContact CE1-CD2 4.23Å; F61-Y80 HydrophobicContact CE1-CE2 4.45Å; F61-Y80 AromaticContact CE2-CD1 3.69Å; F61-Y80 HydrophobicContact CE2-CD1 3.69Å; F61-Y80 AromaticContact CE2-CD2 3.29Å; F61-Y80 HydrophobicContact CE2-CD2 3.29Å; F61-Y80 AromaticContact CE2-CE1 3.94Å; F61-Y80 HydrophobicContact CE2-CE1 3.94Å; F61-Y80 AromaticContact CE2-CE2 3.56Å; F61-Y80 HydrophobicContact CE2-CE2 3.56Å; F61-Y80 AromaticContact CE2-CG 3.35Å; F61-Y80 HydrophobicContact CE2-CG 3.35Å; F61-Y80 AromaticContact CE2-CZ 3.88Å; F61-Y80 HydrophobicContact CG-CD2 4.29Å; F61-Y80 AromaticContact CG-CE2 3.8Å; F61-Y80 HydrophobicContact CG-CE2 3.8Å; F61-Y80 AromaticContact CZ-CD2 3.59Å; F61-Y80 HydrophobicContact CZ-CD2 3.59Å; F61-Y80 HydrophobicContact CZ-CE2 4.09Å; F61-Y80 AromaticContact CZ-CG 3.89Å; F61-Y80 HydrophobicContact CZ-CG 3.89Å; F61-Y80 PolarHBondContact N-OH 3.22Å; F61-D84 HydrophobicContact CE2-CB 3.98Å; F61-W85 AromaticContact CE1-CD2 3.95Å; F61-W85 HydrophobicContact CE1-CD2 3.95Å; F61-W85 AromaticContact CE1-CE3 3.8Å; F61-W85 HydrophobicContact CE1-CE3 3.8Å; F61-W85 HydrophobicContact CE1-CH2 4.19Å; F61-W85 HydrophobicContact CE1-CZ2 4.29Å; F61-W85 AromaticContact CE1-CZ3 3.91Å; F61-W85 HydrophobicContact CE1-CZ3 3.91Å; F61-W85 AromaticContact CZ-CD2 3.68Å; F61-W85 HydrophobicContact CZ-CD2 3.68Å; F61-W85 AromaticContact CZ-CE2 3.92Å; F61-W85 AromaticContact CZ-CE3 3.98Å; F61-W85 HydrophobicContact CZ-CE3 3.98Å; F61-W85 AromaticContact CZ-CG 3.93Å; F61-W85 HydrophobicContact CZ-CG 3.93Å; F61-W85 HydrophobicContact CZ-CZ2 4.47Å; F61-W85 HydrophobicContact CZ-CZ3 4.48Å; F61-F88 HydrophobicContact CB-CD2 3.48Å; F61-F88 VanDerWaalsContact CB-CD2 3.48Å; F61-F88 HydrophobicContact CB-CE2 3.57Å; F61-F88 HydrophobicContact CB-CG 4.16Å; F61-F88 HydrophobicContact CB-CZ 4.35Å; F61-F88 HydrophobicContact CD1-CB 4.12Å; F61-F88 AromaticContact CD1-CD1 3.73Å; F61-F88 HydrophobicContact CD1-CD1 3.73Å; F61-F88 AromaticContact CD1-CD2 3.79Å; F61-F88 HydrophobicContact CD1-CD2 3.79Å; F61-F88 HydrophobicContact CD1-CE1 4.09Å; F61-F88 HydrophobicContact CD1-CE2 4.11Å; F61-F88 AromaticContact CD1-CG 3.56Å; F61-F88 HydrophobicContact CD1-CG 3.56Å; F61-F88 HydrophobicContact CD1-CZ 4.25Å; F61-F88 HydrophobicContact CD2-CB 4.14Å; F61-F88 HydrophobicContact CD2-CD2 4.23Å; F61-F88 HydrophobicContact CD2-CG 4.24Å; F61-F88 HydrophobicContact CE1-CB 4.16Å; F61-F88 HydrophobicContact CE1-CD1 4.01Å; F61-F88 AromaticContact CE1-CG 3.99Å; F61-F88 HydrophobicContact CE1-CG 3.99Å; F61-F88 HydrophobicContact CE2-CB 4.17Å; F61-F88 HydrophobicContact CG-CB 4.14Å; F61-F88 HydrophobicContact CG-CD1 4.36Å; F61-F88 AromaticContact CG-CD2 3.58Å; F61-F88 HydrophobicContact CG-CD2 3.58Å; F61-F88 HydrophobicContact CG-CE2 4.05Å; F61-F88 AromaticContact CG-CG 3.73Å; F61-F88 HydrophobicContact CG-CG 3.73Å; F61-F88 HydrophobicContact CZ-CB 4.19Å; F61-F88 HydrophobicContact CZ-CG 4.49Å; F61-M99 HydrophobicContact CD1-CE 3.68Å; F61-M99 HydrophobicContact CE1-CE 3.75Å
62	E	98.7	Very high	98.4	Very high	105 Å²	105	25.8 Å²	25.8	49%	0.491	13%	0.13	S	C	.	.	H	α-helix	trans	-63.8	-41.5	175.5	-61.9	76.5	-169.9	0	0	111.1	T60 L65 A66 E250	T60-E62 VanDerWaalsContact C-N 3.32Å; T60-E62 WeakPolarHBondContact CB-OE2 3.29Å; E62-L65 PolarHBondContact O-N 3.43Å; E62-A66 PolarHBondContact O-N 3.06Å; E62-A66 VanDerWaalsContact O-N 3.08Å; E62-E250 HydrophobicContact CB-CB 4.05Å; E62-E250 HydrophobicContact CB-CG 4.44Å
63	M	98.8	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-44.1	174.3	-173.2	66	64.7	0	0	110.7	A52 V58 T60 F61 L65 A66 L67 L245 E250 V301	A52-M63 HydrophobicContact CB-CG 3.93Å; V58-M63 WeakPolarHBondContact O-CB 3.5Å; V58-M63 VanDerWaalsContact O-CG 3.29Å; V58-M63 WeakPolarHBondContact O-CG 3.44Å; T60-M63 PolarHBondContact O-N 2.87Å; T60-M63 VanDerWaalsContact OG1-CB 3.29Å; T60-M63 WeakPolarHBondContact OG1-CB 3.28Å; T60-M63 PolarHBondContact OG1-N 3.32Å; T60-M63 VanDerWaalsContact OG1-N 3.11Å; F61-M63 VanDerWaalsContact C-N 3.34Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 2.87Å; M63-A66 PolarHBondContact O-N 2.81Å; M63-A66 VanDerWaalsContact O-N 3.17Å; M63-L67 HydrophobicContact CG-CD1 3.97Å; M63-L67 HydrophobicContact CG-CD2 4.22Å; M63-L67 WeakPolarHBondContact O-CB 3.5Å; M63-L67 WeakPolarHBondContact O-CD1 3.25Å; M63-L67 PolarHBondContact O-N 3.13Å; M63-L67 HydrophobicContact SD-CD1 3.44Å; M63-L67 WeakPolarHBondContact SD-CD1 3.32Å; M63-L245 HydrophobicContact CE-CB 4.26Å; M63-L245 WeakPolarHBondContact CE-O 3.22Å; M63-E250 HydrophobicContact CE-CB 4.16Å; M63-V301 HydrophobicContact CE-CB 4.46Å; M63-V301 HydrophobicContact CE-CG2 4.12Å; M63-V301 HydrophobicContact SD-CB 4.22Å; M63-V301 HydrophobicContact SD-CG1 3.98Å; M63-V301 HydrophobicContact SD-CG2 3.79Å
64	A	98.7	Very high	98.4	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-45.9	178	0	0	0	0	0	112.2	T60 F61 A66 L67 S68 T74 I76 F88 C95 M99	T60-A64 PolarHBondContact O-N 2.86Å; F61-A64 WeakPolarHBondContact O-CB 3.48Å; F61-A64 PolarHBondContact O-N 3.44Å; A64-A66 VanDerWaalsContact C-N 3.32Å; A64-A66 PolarHBondContact O-N 2.73Å; A64-L67 PolarHBondContact O-N 3.02Å; A64-S68 WeakPolarHBondContact O-CB 3.28Å; A64-S68 PolarHBondContact O-N 3.07Å; A64-S68 PolarHBondContact O-OG 3.15Å; A64-T74 WeakPolarHBondContact CA-OG1 3.28Å; A64-T74 HydrophobicContact CB-CG2 4.03Å; A64-I76 HydrophobicContact CB-CD1 3.94Å; A64-F88 HydrophobicContact CB-CZ 4.46Å; A64-C95 VanDerWaalsContact C-SG 3.58Å; A64-C95 PolarHBondContact O-SG 2.98Å; A64-M99 HydrophobicContact CB-CE 4.02Å; A64-M99 HydrophobicContact CB-CG 4.15Å; A64-M99 HydrophobicContact CB-SD 4.04Å
65	L	98.4	Very high	98.4	Very high	55 Å²	55	25 Å²	25	29%	0.288	13%	0.125	S	C	.	.	H	α-helix	trans	-63.8	-36	177.4	-174.8	64.6	0	0	0	112.6	F61 E62 M63 S68 N92	F61-L65 PolarHBondContact O-N 3.11Å; E62-L65 PolarHBondContact O-N 3.43Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 2.87Å; L65-S68 PolarHBondContact O-OG 3.36Å; L65-S68 VanDerWaalsContact O-OG 3.06Å; L65-N92 HydrophobicContact CD1-CB 4.46Å
66	A	98.5	Very high	98.4	Very high	9 Å²	9	23.8 Å²	23.8	7%	0.074	12%	0.119	C	C	.	.	H	α-helix	trans	-71.7	-42.2	176.4	0	0	0	0	0	112.2	E62 M63 A64 F70 E250 V301	E62-A66 PolarHBondContact O-N 3.06Å; E62-A66 VanDerWaalsContact O-N 3.08Å; M63-A66 PolarHBondContact O-N 2.81Å; M63-A66 VanDerWaalsContact O-N 3.17Å; A64-A66 VanDerWaalsContact C-N 3.32Å; A64-A66 PolarHBondContact O-N 2.73Å; A66-F70 WeakPolarHBondContact O-CD2 3.36Å; A66-E250 HydrophobicContact CB-CG 3.96Å; A66-V301 HydrophobicContact CB-CG1 3.56Å
67	L	98.6	Very high	98.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-72.6	-33.7	-178.9	-93.1	56.6	0	0	0	112.9	A52 M63 A64 K69 F70 T71 L72 L245 V301 I305	A52-L67 HydrophobicContact CB-CD2 3.61Å; M63-L67 HydrophobicContact CG-CD1 3.97Å; M63-L67 HydrophobicContact CG-CD2 4.22Å; M63-L67 WeakPolarHBondContact O-CB 3.5Å; M63-L67 WeakPolarHBondContact O-CD1 3.25Å; M63-L67 PolarHBondContact O-N 3.13Å; M63-L67 HydrophobicContact SD-CD1 3.44Å; M63-L67 WeakPolarHBondContact SD-CD1 3.32Å; A64-L67 PolarHBondContact O-N 3.02Å; L67-K69 PolarHBondContact O-N 2.95Å; L67-F70 CarbonylContact O-C 3.57Å; L67-F70 WeakPolarHBondContact O-CA 2.96Å; L67-F70 PolarHBondContact O-N 2.83Å; L67-T71 PolarHBondContact O-N 3.04Å; L67-L72 HydrophobicContact CB-CB 3.78Å; L67-L72 HydrophobicContact CD2-CB 4.19Å; L67-L72 HydrophobicContact CD2-CD2 4.41Å; L67-L72 HydrophobicContact CG-CB 3.86Å; L67-L72 HydrophobicContact CG-CD2 4.11Å; L67-L72 PolarHBondContact O-N 3.32Å; L67-L72 VanDerWaalsContact O-N 3.1Å; L67-L245 HydrophobicContact CD2-CD1 4.37Å; L67-V301 HydrophobicContact CD1-CG1 4.17Å; L67-I305 HydrophobicContact CD1-CD1 4.08Å; L67-I305 HydrophobicContact CD1-CG1 4.1Å; L67-I305 HydrophobicContact CG-CD1 4.43Å
68	S	97.3	Very high	98.4	Very high	29 Å²	29	27.3 Å²	27.3	20%	0.203	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-32.1	179.5	68.3	0	0	0	0	112.5	A64 L65 F70 T71	A64-S68 WeakPolarHBondContact O-CB 3.28Å; A64-S68 PolarHBondContact O-N 3.07Å; A64-S68 PolarHBondContact O-OG 3.15Å; L65-S68 PolarHBondContact O-OG 3.36Å; L65-S68 VanDerWaalsContact O-OG 3.06Å; S68-F70 PolarHBondContact O-N 2.9Å; S68-F70 VanDerWaalsContact O-N 3.11Å; S68-T71 PolarHBondContact O-N 3.03Å
69	K	97.2	Very high	98.3	Very high	160 Å²	160	29.9 Å²	29.9	70%	0.696	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.8	172.8	-62.6	171.2	-173.4	173.5	0	113.4	L67	L67-K69 PolarHBondContact O-N 2.95Å
70	F	98.1	Very high	98.3	Very high	46 Å²	46	31.9 Å²	31.9	20%	0.202	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	6.6	177	-63.2	-86.7	0	0	0	112.7	I48 A66 L67 S68 L72 D302 I305 R306 L309	I48-F70 WeakPolarHBondContact CD1-O 3.47Å; A66-F70 WeakPolarHBondContact O-CD2 3.36Å; L67-F70 CarbonylContact O-C 3.57Å; L67-F70 WeakPolarHBondContact O-CA 2.96Å; L67-F70 PolarHBondContact O-N 2.83Å; S68-F70 PolarHBondContact O-N 2.9Å; S68-F70 VanDerWaalsContact O-N 3.11Å; F70-L72 HydrophobicContact CB-CD1 3.55Å; F70-L72 WeakPolarHBondContact O-CD1 3.42Å; F70-L72 PolarHBondContact O-N 3.39Å; F70-D302 HydrophobicContact CE2-CB 3.97Å; F70-D302 HydrophobicContact CZ-CB 3.95Å; F70-I305 HydrophobicContact CB-CG2 4.11Å; F70-I305 HydrophobicContact CD1-CG2 3.97Å; F70-I305 HydrophobicContact CD2-CB 4.44Å; F70-I305 HydrophobicContact CD2-CG2 3.89Å; F70-I305 HydrophobicContact CE1-CG2 4.35Å; F70-I305 HydrophobicContact CE2-CB 4.42Å; F70-I305 HydrophobicContact CE2-CG2 4.28Å; F70-I305 HydrophobicContact CG-CG2 3.73Å; F70-I305 HydrophobicContact CZ-CG2 4.49Å; F70-R306 HydrophobicContact CE1-CG 3.95Å; F70-R306 HydrophobicContact CZ-CG 4.24Å; F70-L309 HydrophobicContact CB-CD1 4.5Å; F70-L309 HydrophobicContact CD1-CD1 4.22Å
71	T	97.8	Very high	98.3	Very high	59 Å²	59	33.9 Å²	33.9	36%	0.362	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	28.5	-173	68.5	0	0	0	0	113.7	M33 I48 L67 S68	M33-T71 PolarHBondContact SD-OG1 3.15Å; I48-T71 PolarHBondContact N-O 2.94Å; L67-T71 PolarHBondContact O-N 3.04Å; S68-T71 PolarHBondContact O-N 3.03Å
72	L	98.7	Very high	98.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.173	C	C	.	.			trans	-85.4	167.6	172.2	-90.1	72.7	0	0	0	110.4	I48 I50 L67 F70 I305 L309	I48-L72 HydrophobicContact CB-CD1 3.8Å; I48-L72 HydrophobicContact CB-CG 4.39Å; I48-L72 HydrophobicContact CD1-CD1 4.08Å; I48-L72 HydrophobicContact CG1-CD1 4.46Å; I48-L72 HydrophobicContact CG2-CD1 3.98Å; I48-L72 HydrophobicContact CG2-CG 4.45Å; I50-L72 HydrophobicContact CB-CD2 3.81Å; I50-L72 HydrophobicContact CB-CG 4.05Å; I50-L72 HydrophobicContact CG2-CD2 3.87Å; L67-L72 HydrophobicContact CB-CB 3.78Å; L67-L72 HydrophobicContact CD2-CB 4.19Å; L67-L72 HydrophobicContact CD2-CD2 4.41Å; L67-L72 HydrophobicContact CG-CB 3.86Å; L67-L72 HydrophobicContact CG-CD2 4.11Å; L67-L72 PolarHBondContact O-N 3.32Å; L67-L72 VanDerWaalsContact O-N 3.1Å; F70-L72 HydrophobicContact CB-CD1 3.55Å; F70-L72 WeakPolarHBondContact O-CD1 3.42Å; F70-L72 PolarHBondContact O-N 3.39Å; L72-I305 HydrophobicContact CD1-CG2 4.36Å; L72-I305 HydrophobicContact CD2-CD1 3.9Å; L72-I305 HydrophobicContact CD2-CG2 4.04Å; L72-L309 HydrophobicContact CD1-CD1 4.2Å; L72-L309 HydrophobicContact CD1-CD2 4.32Å
73	F	98.8	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	151.8	-174.4	-159.1	-83.1	0	0	0	111.5	Y45 I50 V51 A52 S98 M99 A100 Y125 M155	Y45-F73 AromaticContact CE2-CD2 3.95Å; Y45-F73 HydrophobicContact CE2-CD2 3.95Å; I50-F73 PolarHBondContact O-N 3.32Å; V51-F73 CarbonylContact C-O 3.58Å; V51-F73 VanDerWaalsContact CA-O 3.31Å; V51-F73 WeakPolarHBondContact CA-O 3.49Å; V51-F73 HydrophobicContact CG1-CD1 4.02Å; V51-F73 HydrophobicContact CG2-CB 4.17Å; V51-F73 HydrophobicContact CG2-CD1 4.47Å; A52-F73 PolarHBondContact N-O 2.87Å; F73-S98 WeakPolarHBondContact CA-O 3.33Å; F73-S98 WeakPolarHBondContact CD2-O 3.11Å; F73-S98 VanDerWaalsContact CE2-C 3.42Å; F73-S98 WeakPolarHBondContact CG-O 3.31Å; F73-M99 VanDerWaalsContact CZ-C 3.45Å; F73-A100 HydrophobicContact CE1-CB 3.76Å; F73-A100 HydrophobicContact CZ-CB 4.15Å; F73-Y125 HydrophobicContact CE2-CD1 4.24Å; F73-Y125 AromaticContact CE2-CD2 3.84Å; F73-Y125 HydrophobicContact CE2-CD2 3.84Å; F73-Y125 HydrophobicContact CE2-CE1 4.29Å; F73-Y125 AromaticContact CE2-CE2 3.92Å; F73-Y125 HydrophobicContact CE2-CE2 3.92Å; F73-Y125 HydrophobicContact CE2-CG 4.03Å; F73-Y125 AromaticContact CZ-CD1 3.93Å; F73-Y125 HydrophobicContact CZ-CD1 3.93Å; F73-Y125 AromaticContact CZ-CD2 3.72Å; F73-Y125 HydrophobicContact CZ-CD2 3.72Å; F73-Y125 HydrophobicContact CZ-CE1 4.44Å; F73-Y125 HydrophobicContact CZ-CE2 4.27Å; F73-Y125 AromaticContact CZ-CG 3.55Å; F73-Y125 HydrophobicContact CZ-CG 3.55Å; F73-M155 HydrophobicContact CD1-CE 4.18Å; F73-M155 HydrophobicContact CE1-CE 3.59Å; F73-M155 HydrophobicContact CZ-CE 3.85Å
74	T	98.9	Very high	98.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.3	174.6	-58.1	0	0	0	0	111.6	A52 A64 I76 S98 M99 A100	A52-T74 HydrophobicContact CB-CG2 3.96Å; A64-T74 WeakPolarHBondContact CA-OG1 3.28Å; A64-T74 HydrophobicContact CB-CG2 4.03Å; T74-I76 HydrophobicContact CG2-CD1 3.46Å; T74-I76 VanDerWaalsContact CG2-CD1 3.46Å; T74-I76 HydrophobicContact CG2-CG1 4.26Å; T74-S98 PolarHBondContact N-O 3.06Å; T74-M99 CarbonylContact O-C 3.58Å; T74-M99 VanDerWaalsContact O-CA 3.24Å; T74-M99 WeakPolarHBondContact O-CA 3.42Å; T74-A100 PolarHBondContact O-N 3.3Å
75	A	98.9	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	113.3	163.4	0	0	0	0	0	107.5	V51 A52 N54 G59 C127 M240	V51-A75 HydrophobicContact CG1-CB 4.14Å; A52-A75 PolarHBondContact O-N 2.91Å; N54-A75 WeakPolarHBondContact CA-O 3.48Å; N54-A75 HydrophobicContact CB-CB 3.89Å; N54-A75 PolarHBondContact N-O 3.43Å; G59-A75 WeakPolarHBondContact CA-O 3.44Å; A75-C127 HydrophobicContact CB-CB 4.4Å; A75-M240 HydrophobicContact CB-CE 3.98Å
76	I	98.9	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.4	-173.9	-60.2	-68.7	0	0	0	109.7	G59 F61 A64 T74 Y80 W85 M99 A100 S102	G59-I76 WeakPolarHBondContact O-CA 2.87Å; F61-I76 HydrophobicContact CD1-CD1 4.03Å; F61-I76 HydrophobicContact CD1-CG2 4.48Å; F61-I76 HydrophobicContact CE1-CD1 4.33Å; F61-I76 HydrophobicContact CE1-CG1 4.38Å; F61-I76 HydrophobicContact CE1-CG2 4.02Å; F61-I76 HydrophobicContact CZ-CG2 4.44Å; A64-I76 HydrophobicContact CB-CD1 3.94Å; T74-I76 HydrophobicContact CG2-CD1 3.46Å; T74-I76 VanDerWaalsContact CG2-CD1 3.46Å; T74-I76 HydrophobicContact CG2-CG1 4.26Å; I76-Y80 HydrophobicContact CG2-CD2 3.78Å; I76-Y80 HydrophobicContact CG2-CE2 4.16Å; I76-W85 HydrophobicContact CB-CH2 3.66Å; I76-W85 HydrophobicContact CB-CZ2 3.59Å; I76-W85 HydrophobicContact CG1-CH2 3.58Å; I76-W85 HydrophobicContact CG1-CZ2 4.04Å; I76-W85 HydrophobicContact CG1-CZ3 4.41Å; I76-W85 HydrophobicContact CG2-CH2 3.96Å; I76-W85 HydrophobicContact CG2-CZ2 3.5Å; I76-M99 HydrophobicContact CD1-CE 3.57Å; I76-M99 HydrophobicContact CG1-CB 4.46Å; I76-M99 HydrophobicContact CG1-CE 3.52Å; I76-A100 PolarHBondContact N-O 3.44Å; I76-S102 WeakPolarHBondContact O-CB 3.24Å; I76-S102 PolarHBondContact O-OG 3.32Å
77	H	98.4	Very high	98.2	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.06	22%	0.216	C	C	.	.			trans	-61.6	152.1	177.4	69.4	77.9	0	0	0	111.9	N54 D56 G59 H79 Y80	N54-H77 WeakPolarHBondContact O-CA 3.49Å; N54-H77 WeakPolarHBondContact O-CB 3.49Å; D56-H77 HydrophobicContact CB-CB 4.34Å; G59-H77 PolarHBondContact O-CD2 3.06Å; G59-H77 PolarHBondContact O-N 3.33Å; H77-H79 WeakPolarHBondContact ND1-CB 3.44Å; H77-H79 AromaticContact ND1-CD2 3.79Å; H77-H79 PolarHBondContact ND1-N 3.21Å; H77-H79 PolarHBondContact O-N 2.65Å; H77-Y80 AromaticContact CD2-CE2 3.87Å; H77-Y80 AromaticContact CE1-CD2 3.41Å; H77-Y80 VanDerWaalsContact CE1-CD2 3.41Å; H77-Y80 WeakPolarHBondContact CE1-CD2 3.13Å; H77-Y80 AromaticContact CE1-CE2 3.46Å; H77-Y80 VanDerWaalsContact CE1-CE2 3.46Å; H77-Y80 WeakPolarHBondContact CE1-CE2 3.48Å; H77-Y80 AromaticContact CE1-CG 3.83Å; H77-Y80 AromaticContact CE1-CZ 3.9Å; H77-Y80 AromaticContact NE2-CD2 3.52Å; H77-Y80 AromaticContact NE2-CE2 3.05Å; H77-Y80 WeakPolarHBondContact NE2-CE2 3.47Å; H77-Y80 AromaticContact NE2-CZ 3.45Å
78	K	96.9	Very high	98.2	Very high	72 Å²	72	44.6 Å²	44.6	31%	0.313	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	20	-170.8	70.3	171.4	-169.2	158.8	0	116.1	S102 D109 R112	K78-S102 WeakPolarHBondContact CB-O 3.4Å; K78-D109 IonicContact NZ-OD1 3.8Å; K78-D109 PolarHBondContact NZ-OD1 2.95Å; K78-D109 IonicContact NZ-OD2 3.99Å; K78-D109 PolarHBondContact NZ-OD2 3.01Å; K78-R112 PolarHBondContact O-NH1 2.95Å
79	H	96.6	Very high	98.2	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.255	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-11.2	-168.6	-55.8	-75.1	0	0	0	114.8	H77 R112 M269 H278	H77-H79 WeakPolarHBondContact ND1-CB 3.44Å; H77-H79 AromaticContact ND1-CD2 3.79Å; H77-H79 PolarHBondContact ND1-N 3.21Å; H77-H79 PolarHBondContact O-N 2.65Å; H79-R112 VanDerWaalsContact C-NH2 3.25Å; H79-R112 PolarHBondContact O-NH2 3.09Å; H79-R112 VanDerWaalsContact O-NH2 3.08Å; H79-M269 WeakPolarHBondContact NE2-CE 3.44Å; H79-H278 AromaticContact CD2-CE1 3.83Å; H79-H278 AromaticContact CD2-NE2 3.86Å; H79-H278 AromaticContact CE1-CD2 3.58Å; H79-H278 AromaticContact CE1-CE1 3.77Å; H79-H278 AromaticContact CE1-CG 3.4Å; H79-H278 AromaticContact CE1-ND1 3.55Å; H79-H278 AromaticContact CE1-NE2 3.81Å; H79-H278 AromaticContact CG-CE1 3.62Å; H79-H278 AromaticContact CG-ND1 3.84Å; H79-H278 AromaticContact ND1-CE1 3.59Å; H79-H278 AromaticContact ND1-CG 3.69Å; H79-H278 AromaticContact ND1-ND1 3.33Å; H79-H278 PolarHBondContact ND1-ND1 3.46Å; H79-H278 AromaticContact NE2-CD2 3.72Å; H79-H278 AromaticContact NE2-CE1 3.95Å; H79-H278 AromaticContact NE2-NE2 3.69Å
80	Y	98.3	Very high	98.3	Very high	42 Å²	42	41.6 Å²	41.6	17%	0.165	22%	0.216	C	C	.	.	S	Bend	trans	-71.4	140.3	172	-75.1	-59.8	0	0	0	112.4	F61 I76 H77 D84 R112	F61-Y80 HydrophobicContact CB-CE2 4.42Å; F61-Y80 HydrophobicContact CD1-CE2 4.33Å; F61-Y80 HydrophobicContact CD2-CD1 4.03Å; F61-Y80 AromaticContact CD2-CD2 3.68Å; F61-Y80 HydrophobicContact CD2-CD2 3.68Å; F61-Y80 AromaticContact CD2-CE1 3.78Å; F61-Y80 HydrophobicContact CD2-CE1 3.78Å; F61-Y80 AromaticContact CD2-CE2 3.39Å; F61-Y80 HydrophobicContact CD2-CE2 3.39Å; F61-Y80 AromaticContact CD2-CG 3.98Å; F61-Y80 HydrophobicContact CD2-CG 3.98Å; F61-Y80 AromaticContact CD2-CZ 3.44Å; F61-Y80 VanDerWaalsContact CD2-CZ 3.44Å; F61-Y80 HydrophobicContact CE1-CD2 4.23Å; F61-Y80 HydrophobicContact CE1-CE2 4.45Å; F61-Y80 AromaticContact CE2-CD1 3.69Å; F61-Y80 HydrophobicContact CE2-CD1 3.69Å; F61-Y80 AromaticContact CE2-CD2 3.29Å; F61-Y80 HydrophobicContact CE2-CD2 3.29Å; F61-Y80 AromaticContact CE2-CE1 3.94Å; F61-Y80 HydrophobicContact CE2-CE1 3.94Å; F61-Y80 AromaticContact CE2-CE2 3.56Å; F61-Y80 HydrophobicContact CE2-CE2 3.56Å; F61-Y80 AromaticContact CE2-CG 3.35Å; F61-Y80 HydrophobicContact CE2-CG 3.35Å; F61-Y80 AromaticContact CE2-CZ 3.88Å; F61-Y80 HydrophobicContact CG-CD2 4.29Å; F61-Y80 AromaticContact CG-CE2 3.8Å; F61-Y80 HydrophobicContact CG-CE2 3.8Å; F61-Y80 AromaticContact CZ-CD2 3.59Å; F61-Y80 HydrophobicContact CZ-CD2 3.59Å; F61-Y80 HydrophobicContact CZ-CE2 4.09Å; F61-Y80 AromaticContact CZ-CG 3.89Å; F61-Y80 HydrophobicContact CZ-CG 3.89Å; F61-Y80 PolarHBondContact N-OH 3.22Å; I76-Y80 HydrophobicContact CG2-CD2 3.78Å; I76-Y80 HydrophobicContact CG2-CE2 4.16Å; H77-Y80 AromaticContact CD2-CE2 3.87Å; H77-Y80 AromaticContact CE1-CD2 3.41Å; H77-Y80 VanDerWaalsContact CE1-CD2 3.41Å; H77-Y80 WeakPolarHBondContact CE1-CD2 3.13Å; H77-Y80 AromaticContact CE1-CE2 3.46Å; H77-Y80 VanDerWaalsContact CE1-CE2 3.46Å; H77-Y80 WeakPolarHBondContact CE1-CE2 3.48Å; H77-Y80 AromaticContact CE1-CG 3.83Å; H77-Y80 AromaticContact CE1-CZ 3.9Å; H77-Y80 AromaticContact NE2-CD2 3.52Å; H77-Y80 AromaticContact NE2-CE2 3.05Å; H77-Y80 WeakPolarHBondContact NE2-CE2 3.47Å; H77-Y80 AromaticContact NE2-CZ 3.45Å; Y80-D84 HydrophobicContact CD1-CB 4.02Å; Y80-D84 HydrophobicContact CG-CB 4.34Å; Y80-R112 PolarHBondContact O-NH2 3.31Å
81	S	98.2	Very high	98.3	Very high	46 Å²	46	46 Å²	46	32%	0.322	23%	0.234	S	C	.	.			trans	-68.3	165.5	176	71.9	0	0	0	0	111.8	D83 D84 W85	S81-D83 PolarHBondContact O-N 2.6Å; S81-D84 WeakPolarHBondContact CB-OD2 3.42Å; S81-D84 PolarHBondContact N-OD2 3.27Å; S81-D84 PolarHBondContact O-N 3.17Å; S81-D84 PolarHBondContact OG-N 3.28Å; S81-D84 VanDerWaalsContact OG-N 3.14Å; S81-D84 PolarHBondContact OG-OD2 2.93Å; S81-W85 PolarHBondContact O-N 3.22Å
82	V	98.4	Very high	98.3	Very high	25 Å²	25	44.6 Å²	44.6	15%	0.152	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-36.5	175.1	178.6	0	0	0	0	111	W85 K86 E115 I116 A119	V82-W85 WeakPolarHBondContact O-CB 3.3Å; V82-W85 PolarHBondContact O-N 3.19Å; V82-K86 WeakPolarHBondContact O-CG 3.32Å; V82-K86 PolarHBondContact O-N 3.48Å; V82-E115 HydrophobicContact CG2-CB 3.67Å; V82-I116 HydrophobicContact CG2-CG1 3.99Å; V82-A119 HydrophobicContact CG1-CB 3.64Å
83	D	98.4	Very high	98.2	Very high	104 Å²	104	48 Å²	48	56%	0.556	25%	0.247	S	C	*	.	H	α-helix	trans	-73.6	-35.3	-179.7	-67.8	-25.7	0	0	0	112.2	S81 W85 K86 E87	S81-D83 PolarHBondContact O-N 2.6Å; D83-W85 VanDerWaalsContact C-N 3.28Å; D83-W85 PolarHBondContact O-N 3.12Å; D83-K86 PolarHBondContact O-N 2.89Å; D83-K86 IonicContact OD1-NZ 2.6Å; D83-K86 PolarHBondContact OD1-NZ 2.87Å; D83-E87 WeakPolarHBondContact O-CB 3.27Å; D83-E87 PolarHBondContact O-N 2.83Å
84	D	98.6	Very high	98	Very high	65 Å²	65	53.8 Å²	53.8	35%	0.348	27%	0.274	S	S	.	.	H	α-helix	trans	-58.7	-43.1	170.9	-59.2	-46.8	0	0	0	110.8	F61 Y80 S81 E87 F88	F61-D84 HydrophobicContact CE2-CB 3.98Å; Y80-D84 HydrophobicContact CD1-CB 4.02Å; Y80-D84 HydrophobicContact CG-CB 4.34Å; S81-D84 WeakPolarHBondContact CB-OD2 3.42Å; S81-D84 PolarHBondContact N-OD2 3.27Å; S81-D84 PolarHBondContact O-N 3.17Å; S81-D84 PolarHBondContact OG-N 3.28Å; S81-D84 VanDerWaalsContact OG-N 3.14Å; S81-D84 PolarHBondContact OG-OD2 2.93Å; D84-E87 PolarHBondContact O-N 2.94Å; D84-F88 WeakPolarHBondContact O-CB 3.35Å; D84-F88 PolarHBondContact O-N 3.19Å
85	W	98.7	Very high	97.9	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-45.7	176	-87.5	102	0	0	0	112.5	F61 I76 S81 V82 D83 F88 A89 M99 V101 I116 V120 L123	F61-W85 AromaticContact CE1-CD2 3.95Å; F61-W85 HydrophobicContact CE1-CD2 3.95Å; F61-W85 AromaticContact CE1-CE3 3.8Å; F61-W85 HydrophobicContact CE1-CE3 3.8Å; F61-W85 HydrophobicContact CE1-CH2 4.19Å; F61-W85 HydrophobicContact CE1-CZ2 4.29Å; F61-W85 AromaticContact CE1-CZ3 3.91Å; F61-W85 HydrophobicContact CE1-CZ3 3.91Å; F61-W85 AromaticContact CZ-CD2 3.68Å; F61-W85 HydrophobicContact CZ-CD2 3.68Å; F61-W85 AromaticContact CZ-CE2 3.92Å; F61-W85 AromaticContact CZ-CE3 3.98Å; F61-W85 HydrophobicContact CZ-CE3 3.98Å; F61-W85 AromaticContact CZ-CG 3.93Å; F61-W85 HydrophobicContact CZ-CG 3.93Å; F61-W85 HydrophobicContact CZ-CZ2 4.47Å; F61-W85 HydrophobicContact CZ-CZ3 4.48Å; I76-W85 HydrophobicContact CB-CH2 3.66Å; I76-W85 HydrophobicContact CB-CZ2 3.59Å; I76-W85 HydrophobicContact CG1-CH2 3.58Å; I76-W85 HydrophobicContact CG1-CZ2 4.04Å; I76-W85 HydrophobicContact CG1-CZ3 4.41Å; I76-W85 HydrophobicContact CG2-CH2 3.96Å; I76-W85 HydrophobicContact CG2-CZ2 3.5Å; S81-W85 PolarHBondContact O-N 3.22Å; V82-W85 WeakPolarHBondContact O-CB 3.3Å; V82-W85 PolarHBondContact O-N 3.19Å; D83-W85 VanDerWaalsContact C-N 3.28Å; D83-W85 PolarHBondContact O-N 3.12Å; W85-F88 PolarHBondContact O-N 3.27Å; W85-A89 WeakPolarHBondContact O-CB 3.18Å; W85-A89 PolarHBondContact O-N 2.89Å; W85-M99 HydrophobicContact CH2-CE 4.13Å; W85-M99 HydrophobicContact CZ3-CE 3.76Å; W85-V101 HydrophobicContact CH2-CB 4.24Å; W85-V101 HydrophobicContact CZ2-CB 4.06Å; W85-V101 HydrophobicContact CZ2-CG2 4.16Å; W85-I116 HydrophobicContact CB-CG2 4.23Å; W85-I116 HydrophobicContact CD2-CG2 3.8Å; W85-I116 HydrophobicContact CE3-CG2 4.43Å; W85-I116 HydrophobicContact CG-CG1 4.43Å; W85-I116 HydrophobicContact CG-CG2 3.7Å; W85-V120 HydrophobicContact CB-CG2 4.13Å; W85-L123 HydrophobicContact CE3-CD1 4.09Å; W85-L123 HydrophobicContact CH2-CD1 4.41Å; W85-L123 HydrophobicContact CH2-CD2 4.26Å; W85-L123 HydrophobicContact CZ3-CD1 3.95Å; W85-L123 HydrophobicContact CZ3-CD2 3.81Å; W85-L123 HydrophobicContact CZ3-CG 4.41Å
86	K	98.3	Very high	97.8	Very high	89 Å²	89	53.8 Å²	53.8	39%	0.387	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-46.8	176.5	-72.3	173.1	-170.7	154.8	0	111.4	V82 D83 A89 T90 A119	V82-K86 WeakPolarHBondContact O-CG 3.32Å; V82-K86 PolarHBondContact O-N 3.48Å; D83-K86 PolarHBondContact O-N 2.89Å; D83-K86 IonicContact OD1-NZ 2.6Å; D83-K86 PolarHBondContact OD1-NZ 2.87Å; K86-A89 PolarHBondContact O-N 2.86Å; K86-T90 VanDerWaalsContact O-CB 3.29Å; K86-T90 WeakPolarHBondContact O-CB 3.38Å; K86-T90 PolarHBondContact O-N 3.18Å; K86-T90 PolarHBondContact O-OG1 2.98Å; K86-A119 HydrophobicContact CD-CB 4.26Å; K86-A119 VanDerWaalsContact CE-CB 3.49Å; K86-A119 HydrophobicContact CG-CB 3.82Å
87	E	98.5	Very high	97.7	Very high	101 Å²	101	57.1 Å²	57.1	47%	0.472	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-48.8	-179.9	-176.1	179.1	165.9	0	0	110.5	D83 D84 T90 K91	D83-E87 WeakPolarHBondContact O-CB 3.27Å; D83-E87 PolarHBondContact O-N 2.83Å; D84-E87 PolarHBondContact O-N 2.94Å; E87-T90 PolarHBondContact O-N 3.03Å; E87-K91 HydrophobicContact CG-CD 4.14Å; E87-K91 WeakPolarHBondContact O-CG 3.28Å; E87-K91 PolarHBondContact O-N 2.92Å; E87-K91 VanDerWaalsContact O-N 3.08Å; E87-K91 WeakPolarHBondContact OE1-CE 3.39Å; E87-K91 IonicContact OE1-NZ 3.68Å; E87-K91 PolarHBondContact OE1-NZ 3.5Å
88	F	98.6	Very high	97.5	Very high	20 Å²	20	58 Å²	58	9%	0.088	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-48.8	178.9	-178.7	-91.1	0	0	0	112	F61 A64 D84 W85 T90 K91 N92 C95 M99	F61-F88 HydrophobicContact CB-CD2 3.48Å; F61-F88 VanDerWaalsContact CB-CD2 3.48Å; F61-F88 HydrophobicContact CB-CE2 3.57Å; F61-F88 HydrophobicContact CB-CG 4.16Å; F61-F88 HydrophobicContact CB-CZ 4.35Å; F61-F88 HydrophobicContact CD1-CB 4.12Å; F61-F88 AromaticContact CD1-CD1 3.73Å; F61-F88 HydrophobicContact CD1-CD1 3.73Å; F61-F88 AromaticContact CD1-CD2 3.79Å; F61-F88 HydrophobicContact CD1-CD2 3.79Å; F61-F88 HydrophobicContact CD1-CE1 4.09Å; F61-F88 HydrophobicContact CD1-CE2 4.11Å; F61-F88 AromaticContact CD1-CG 3.56Å; F61-F88 HydrophobicContact CD1-CG 3.56Å; F61-F88 HydrophobicContact CD1-CZ 4.25Å; F61-F88 HydrophobicContact CD2-CB 4.14Å; F61-F88 HydrophobicContact CD2-CD2 4.23Å; F61-F88 HydrophobicContact CD2-CG 4.24Å; F61-F88 HydrophobicContact CE1-CB 4.16Å; F61-F88 HydrophobicContact CE1-CD1 4.01Å; F61-F88 AromaticContact CE1-CG 3.99Å; F61-F88 HydrophobicContact CE1-CG 3.99Å; F61-F88 HydrophobicContact CE2-CB 4.17Å; F61-F88 HydrophobicContact CG-CB 4.14Å; F61-F88 HydrophobicContact CG-CD1 4.36Å; F61-F88 AromaticContact CG-CD2 3.58Å; F61-F88 HydrophobicContact CG-CD2 3.58Å; F61-F88 HydrophobicContact CG-CE2 4.05Å; F61-F88 AromaticContact CG-CG 3.73Å; F61-F88 HydrophobicContact CG-CG 3.73Å; F61-F88 HydrophobicContact CZ-CB 4.19Å; F61-F88 HydrophobicContact CZ-CG 4.49Å; A64-F88 HydrophobicContact CB-CZ 4.46Å; D84-F88 WeakPolarHBondContact O-CB 3.35Å; D84-F88 PolarHBondContact O-N 3.19Å; W85-F88 PolarHBondContact O-N 3.27Å; F88-T90 VanDerWaalsContact C-N 3.3Å; F88-T90 PolarHBondContact O-N 3.23Å; F88-K91 PolarHBondContact O-N 2.84Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.48Å; F88-N92 HydrophobicContact CE1-CB 4.14Å; F88-N92 HydrophobicContact CE2-CB 4.32Å; F88-N92 WeakPolarHBondContact CE2-ND2 3.32Å; F88-N92 HydrophobicContact CZ-CB 3.98Å; F88-N92 PolarHBondContact O-N 3.18Å; F88-N92 PolarHBondContact O-ND2 2.92Å; F88-C95 HydrophobicContact CE1-CB 4.19Å; F88-C95 HydrophobicContact CZ-CB 4.22Å; F88-M99 HydrophobicContact CD1-CE 3.92Å; F88-M99 HydrophobicContact CD1-SD 4.34Å; F88-M99 HydrophobicContact CE1-CE 3.52Å; F88-M99 HydrophobicContact CE1-SD 3.52Å; F88-M99 VanDerWaalsContact CE1-SD 3.52Å; F88-M99 HydrophobicContact CZ-CE 4.24Å; F88-M99 HydrophobicContact CZ-SD 4.25Å
89	A	98.1	Very high	97.6	Very high	11 Å²	11	54.6 Å²	54.6	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-34.1	-178.4	0	0	0	0	0	112.5	W85 K86 P93 V96 V120	W85-A89 WeakPolarHBondContact O-CB 3.18Å; W85-A89 PolarHBondContact O-N 2.89Å; K86-A89 PolarHBondContact O-N 2.86Å; A89-P93 WeakPolarHBondContact O-CA 3.11Å; A89-V96 HydrophobicContact CB-CG2 3.84Å; A89-V120 HydrophobicContact CB-CB 4.45Å; A89-V120 HydrophobicContact CB-CG1 3.54Å; A89-V120 HydrophobicContact CB-CG2 3.98Å
90	T	97.9	Very high	97.7	Very high	116 Å²	116	52 Å²	52	71%	0.712	28%	0.277	S	S	*	.	H	α-helix	trans	-67.6	-40.2	175.2	-58.7	0	0	0	0	111.3	K86 E87 F88	K86-T90 VanDerWaalsContact O-CB 3.29Å; K86-T90 WeakPolarHBondContact O-CB 3.38Å; K86-T90 PolarHBondContact O-N 3.18Å; K86-T90 PolarHBondContact O-OG1 2.98Å; E87-T90 PolarHBondContact O-N 3.03Å; F88-T90 VanDerWaalsContact C-N 3.3Å; F88-T90 PolarHBondContact O-N 3.23Å
91	K	98.3	Very high	97.7	Very high	137 Å²	137	50.1 Å²	50.1	60%	0.596	27%	0.27	S	S	*	.	H	α-helix	trans	-78.8	-30.8	-178.8	-71.2	177.8	179	177.8	0	113.4	E87 F88 P93	E87-K91 HydrophobicContact CG-CD 4.14Å; E87-K91 WeakPolarHBondContact O-CG 3.28Å; E87-K91 PolarHBondContact O-N 2.92Å; E87-K91 VanDerWaalsContact O-N 3.08Å; E87-K91 WeakPolarHBondContact OE1-CE 3.39Å; E87-K91 IonicContact OE1-NZ 3.68Å; E87-K91 PolarHBondContact OE1-NZ 3.5Å; F88-K91 PolarHBondContact O-N 2.84Å; K91-P93 VanDerWaalsContact C-CD 3.48Å
92	N	97.9	Very high	97.8	Very high	30 Å²	30	48.3 Å²	48.3	16%	0.16	26%	0.257	C	S	.	.			trans	-133.6	55.8	-171.8	-45.1	-87.2	0	0	0	111.8	L65 F88 E94 C95	L65-N92 HydrophobicContact CD1-CB 4.46Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.48Å; F88-N92 HydrophobicContact CE1-CB 4.14Å; F88-N92 HydrophobicContact CE2-CB 4.32Å; F88-N92 WeakPolarHBondContact CE2-ND2 3.32Å; F88-N92 HydrophobicContact CZ-CB 3.98Å; F88-N92 PolarHBondContact O-N 3.18Å; F88-N92 PolarHBondContact O-ND2 2.92Å; N92-E94 PolarHBondContact O-N 3.39Å; N92-C95 HydrophobicContact CB-CB 4.14Å; N92-C95 WeakPolarHBondContact O-CB 3.29Å; N92-C95 PolarHBondContact O-N 3.27Å
93	P	96.8	Very high	97.8	Very high	75 Å²	75	47.3 Å²	47.3	49%	0.487	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.7	-173.3	25.6	-35.7	0	0	0	113.6	A89 K91 C95 P97	A89-P93 WeakPolarHBondContact O-CA 3.11Å; K91-P93 VanDerWaalsContact C-CD 3.48Å; P93-C95 VanDerWaalsContact C-N 3.27Å; P93-C95 PolarHBondContact O-N 2.83Å; P93-P97 WeakPolarHBondContact O-CD 3.44Å
94	E	94.9	Very high	97.7	Very high	122 Å²	122	42.6 Å²	42.6	57%	0.57	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.6	177.5	74.2	-67.7	162	0	0	113.9	N92 P97	N92-E94 PolarHBondContact O-N 3.39Å; E94-P97 WeakPolarHBondContact O-CD 3.27Å
95	C	96.1	Very high	97.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-32.4	179.5	-170.5	0	0	0	0	112	A64 F88 N92 P93 P97 S98 M99	A64-C95 VanDerWaalsContact C-SG 3.58Å; A64-C95 PolarHBondContact O-SG 2.98Å; F88-C95 HydrophobicContact CE1-CB 4.19Å; F88-C95 HydrophobicContact CZ-CB 4.22Å; N92-C95 HydrophobicContact CB-CB 4.14Å; N92-C95 WeakPolarHBondContact O-CB 3.29Å; N92-C95 PolarHBondContact O-N 3.27Å; P93-C95 VanDerWaalsContact C-N 3.27Å; P93-C95 PolarHBondContact O-N 2.83Å; C95-P97 VanDerWaalsContact C-CD 3.43Å; C95-S98 PolarHBondContact O-N 3.45Å; C95-M99 HydrophobicContact CB-SD 4.26Å; C95-M99 WeakPolarHBondContact O-CG 3.4Å; C95-M99 VanDerWaalsContact SG-SD 3.6Å
96	V	97.1	Very high	97.3	Very high	1 Å²	1	43 Å²	43	1%	0.006	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-54.3	-40.4	-173.2	-176.5	0	0	0	0	114.1	A89 S98 M99 V120 Q122 L123	A89-V96 HydrophobicContact CB-CG2 3.84Å; V96-S98 PolarHBondContact O-N 2.97Å; V96-S98 VanDerWaalsContact O-N 3.09Å; V96-M99 PolarHBondContact O-N 3.04Å; V96-M99 VanDerWaalsContact O-N 3.13Å; V96-V120 HydrophobicContact CG1-CG1 4.02Å; V96-Q122 HydrophobicContact CB-CB 4.47Å; V96-Q122 HydrophobicContact CG1-CB 3.85Å; V96-L123 HydrophobicContact CG1-CD2 3.8Å; V96-L123 HydrophobicContact CG1-CG 3.99Å
97	P	95.9	Very high	96.9	Very high	70 Å²	70	48.6 Å²	48.6	46%	0.455	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.3	179.2	-25.1	35.9	0	0	0	115	P93 E94 C95 Y125	P93-P97 WeakPolarHBondContact O-CD 3.44Å; E94-P97 WeakPolarHBondContact O-CD 3.27Å; C95-P97 VanDerWaalsContact C-CD 3.43Å; P97-Y125 WeakPolarHBondContact O-CE2 3.25Å
98	S	95.8	Very high	96.7	Very high	32 Å²	32	45.6 Å²	45.6	22%	0.224	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-105.1	25.2	179.1	-57.2	0	0	0	0	112.6	F73 T74 C95 V96	F73-S98 WeakPolarHBondContact CA-O 3.33Å; F73-S98 WeakPolarHBondContact CD2-O 3.11Å; F73-S98 VanDerWaalsContact CE2-C 3.42Å; F73-S98 WeakPolarHBondContact CG-O 3.31Å; T74-S98 PolarHBondContact N-O 3.06Å; C95-S98 PolarHBondContact O-N 3.45Å; V96-S98 PolarHBondContact O-N 2.97Å; V96-S98 VanDerWaalsContact O-N 3.09Å
99	M	98.5	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.6	-178.2	-63.5	164.9	69.1	0	0	111.6	F61 A64 F73 T74 I76 W85 F88 C95 V96 L123	F61-M99 HydrophobicContact CD1-CE 3.68Å; F61-M99 HydrophobicContact CE1-CE 3.75Å; A64-M99 HydrophobicContact CB-CE 4.02Å; A64-M99 HydrophobicContact CB-CG 4.15Å; A64-M99 HydrophobicContact CB-SD 4.04Å; F73-M99 VanDerWaalsContact CZ-C 3.45Å; T74-M99 CarbonylContact O-C 3.58Å; T74-M99 VanDerWaalsContact O-CA 3.24Å; T74-M99 WeakPolarHBondContact O-CA 3.42Å; I76-M99 HydrophobicContact CD1-CE 3.57Å; I76-M99 HydrophobicContact CG1-CB 4.46Å; I76-M99 HydrophobicContact CG1-CE 3.52Å; W85-M99 HydrophobicContact CH2-CE 4.13Å; W85-M99 HydrophobicContact CZ3-CE 3.76Å; F88-M99 HydrophobicContact CD1-CE 3.92Å; F88-M99 HydrophobicContact CD1-SD 4.34Å; F88-M99 HydrophobicContact CE1-CE 3.52Å; F88-M99 HydrophobicContact CE1-SD 3.52Å; F88-M99 VanDerWaalsContact CE1-SD 3.52Å; F88-M99 HydrophobicContact CZ-CE 4.24Å; F88-M99 HydrophobicContact CZ-SD 4.25Å; C95-M99 HydrophobicContact CB-SD 4.26Å; C95-M99 WeakPolarHBondContact O-CG 3.4Å; C95-M99 VanDerWaalsContact SG-SD 3.6Å; V96-M99 PolarHBondContact O-N 3.04Å; V96-M99 VanDerWaalsContact O-N 3.13Å; M99-L123 HydrophobicContact CB-CD2 4.46Å
100	A	98.9	Very high	96.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.6	167.4	0	0	0	0	0	110.6	F73 T74 I76 Y125 C127 M155	F73-A100 HydrophobicContact CE1-CB 3.76Å; F73-A100 HydrophobicContact CZ-CB 4.15Å; T74-A100 PolarHBondContact O-N 3.3Å; I76-A100 PolarHBondContact N-O 3.44Å; A100-Y125 WeakPolarHBondContact CA-O 3.45Å; A100-C127 HydrophobicContact CB-CB 4.14Å; A100-M155 HydrophobicContact CB-SD 4.5Å
101	V	98.8	Very high	96.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.4	165.3	54.7	0	0	0	0	108.6	W85 L113 I116 T117 L123 Y125 I126 C127	W85-V101 HydrophobicContact CH2-CB 4.24Å; W85-V101 HydrophobicContact CZ2-CB 4.06Å; W85-V101 HydrophobicContact CZ2-CG2 4.16Å; V101-L113 HydrophobicContact CB-CD1 4.4Å; V101-L113 HydrophobicContact CG1-CD1 3.49Å; V101-L113 VanDerWaalsContact CG1-CD1 3.49Å; V101-L113 HydrophobicContact CG2-CD1 4Å; V101-I116 HydrophobicContact CB-CG2 4.39Å; V101-I116 HydrophobicContact CG2-CB 4.32Å; V101-I116 HydrophobicContact CG2-CD1 4.04Å; V101-I116 HydrophobicContact CG2-CG2 3.87Å; V101-T117 HydrophobicContact CG1-CG2 4Å; V101-L123 HydrophobicContact CB-CD1 4.19Å; V101-L123 HydrophobicContact CG1-CD1 4.27Å; V101-Y125 PolarHBondContact N-O 2.92Å; V101-Y125 VanDerWaalsContact N-O 3.16Å; V101-I126 HydrophobicContact CG1-CG1 4.22Å; V101-I126 CarbonylContact O-C 3.55Å; V101-I126 WeakPolarHBondContact O-CA 3.23Å; V101-C127 PolarHBondContact O-N 2.72Å
102	S	98.8	Very high	96.5	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.2	-179.6	-52.7	0	0	0	0	112.3	N54 I76 K78 C127	N54-S102 WeakPolarHBondContact CB-OG 3.43Å; I76-S102 WeakPolarHBondContact O-CB 3.24Å; I76-S102 PolarHBondContact O-OG 3.32Å; K78-S102 WeakPolarHBondContact CB-O 3.4Å; S102-C127 CarbonylContact C-O 3.59Å; S102-C127 WeakPolarHBondContact CA-O 3.36Å
103	T	98.6	Very high	96.5	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.8	174.9	-166.9	0	0	0	0	110.7	D109 L113 I126 C127 V128 D129 F141	T103-D109 WeakPolarHBondContact OG1-CB 3.42Å; T103-D109 PolarHBondContact OG1-O 3.06Å; T103-L113 HydrophobicContact CG2-CD2 3.98Å; T103-I126 HydrophobicContact CG2-CG2 4.37Å; T103-C127 PolarHBondContact N-O 3.44Å; T103-V128 HydrophobicContact CG2-CB 4.42Å; T103-V128 HydrophobicContact CG2-CG1 4.23Å; T103-V128 HydrophobicContact CG2-CG2 4.09Å; T103-V128 WeakPolarHBondContact O-CA 3.28Å; T103-D129 PolarHBondContact O-N 3Å; T103-F141 HydrophobicContact CG2-CE1 3.94Å; T103-F141 HydrophobicContact CG2-CZ 4.27Å
104	G	96.5	Very high	96.6	Very high	4 Å²	4	41.3 Å²	41.3	4%	0.041	24%	0.235	C	C	.	.			trans	-106.2	-160.4	166.8	0	0	0	0	0	110.4	D109 F141	G104-D109 VanDerWaalsContact C-OD2 3.31Å; G104-D109 VanDerWaalsContact CA-OD2 3.29Å; G104-D109 WeakPolarHBondContact CA-OD2 3.44Å; G104-D109 PolarHBondContact N-OD2 2.98Å; G104-F141 WeakPolarHBondContact O-CE1 3.49Å; G104-F141 WeakPolarHBondContact O-CZ 3.42Å
105	T	96.4	Very high	96.7	Very high	40 Å²	40	40.8 Å²	40.8	25%	0.245	23%	0.232	C	C	.	.	S	Bend	trans	-110.3	19.6	174.3	66.7	0	0	0	0	112.4	V130 F138 F141	T105-V130 HydrophobicContact CG2-CG1 3.85Å; T105-F138 HydrophobicContact CG2-CD2 3.91Å; T105-F141 HydrophobicContact CG2-CB 3.85Å; T105-F141 HydrophobicContact CG2-CD1 3.87Å; T105-F141 HydrophobicContact CG2-CD2 3.93Å; T105-F141 HydrophobicContact CG2-CE1 4.37Å; T105-F141 HydrophobicContact CG2-CE2 4.41Å; T105-F141 HydrophobicContact CG2-CG 3.61Å
106	G	92.6	Very high	96.9	Very high	38 Å²	38	41 Å²	41	39%	0.392	23%	0.233	S	C	.	.	S	Bend	trans	-73.5	165.2	178.6	0	0	0	0	0	112.4	G108 D109	G106-G108 PolarHBondContact O-N 2.99Å; G106-D109 PolarHBondContact N-OD2 3.44Å; G106-D109 WeakPolarHBondContact O-CB 3.24Å; G106-D109 PolarHBondContact O-N 2.92Å
107	E	90.2	Very high	96.9	Very high	208 Å²	208	41.6 Å²	41.6	97%	0.972	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	131.1	171.8	-168.7	176	-177.6	0	0	110.5	D109	E107-D109 PolarHBondContact O-N 2.99Å
108	G	94.1	Very high	97	Very high	38 Å²	38	41.9 Å²	41.9	39%	0.392	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-10.9	-177.9	0	0	0	0	0	116.3	G106 F110 D111 R112	G106-G108 PolarHBondContact O-N 2.99Å; G108-F110 VanDerWaalsContact C-N 3.29Å; G108-F110 PolarHBondContact O-N 3.21Å; G108-D111 PolarHBondContact O-N 3.24Å; G108-R112 WeakPolarHBondContact O-CB 3.43Å; G108-R112 PolarHBondContact O-N 3.13Å
109	D	95.9	Very high	97.1	Very high	23 Å²	23	42 Å²	42	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-36.7	178.9	-86.9	-22.4	0	0	0	111.5	K78 T103 G104 G106 E107 L113	K78-D109 IonicContact NZ-OD1 3.8Å; K78-D109 PolarHBondContact NZ-OD1 2.95Å; K78-D109 IonicContact NZ-OD2 3.99Å; K78-D109 PolarHBondContact NZ-OD2 3.01Å; T103-D109 WeakPolarHBondContact OG1-CB 3.42Å; T103-D109 PolarHBondContact OG1-O 3.06Å; G104-D109 VanDerWaalsContact C-OD2 3.31Å; G104-D109 VanDerWaalsContact CA-OD2 3.29Å; G104-D109 WeakPolarHBondContact CA-OD2 3.44Å; G104-D109 PolarHBondContact N-OD2 2.98Å; G106-D109 PolarHBondContact N-OD2 3.44Å; G106-D109 WeakPolarHBondContact O-CB 3.24Å; G106-D109 PolarHBondContact O-N 2.92Å; E107-D109 PolarHBondContact O-N 2.99Å; D109-L113 PolarHBondContact O-N 3.44Å; D109-L113 VanDerWaalsContact O-N 3.14Å
110	F	96.9	Very high	97.1	Very high	60 Å²	60	42 Å²	42	26%	0.263	25%	0.248	S	C	.	.	H	α-helix	trans	-71.9	-41.9	178.4	-168.2	-97.2	0	0	0	112.4	G108 L113 G114 F141 D144 V145 K148	G108-F110 VanDerWaalsContact C-N 3.29Å; G108-F110 PolarHBondContact O-N 3.21Å; F110-L113 WeakPolarHBondContact O-CB 3.42Å; F110-L113 PolarHBondContact O-N 2.94Å; F110-G114 PolarHBondContact O-N 3.13Å; F110-F141 HydrophobicContact CB-CE2 4.01Å; F110-F141 HydrophobicContact CB-CZ 4.17Å; F110-F141 HydrophobicContact CD2-CE1 4.44Å; F110-F141 AromaticContact CD2-CE2 3.81Å; F110-F141 HydrophobicContact CD2-CE2 3.81Å; F110-F141 AromaticContact CD2-CZ 3.7Å; F110-F141 HydrophobicContact CD2-CZ 3.7Å; F110-F141 HydrophobicContact CG-CE2 4.34Å; F110-F141 HydrophobicContact CG-CZ 4.43Å; F110-D144 HydrophobicContact CE2-CB 4.48Å; F110-V145 HydrophobicContact CD2-CG2 4.03Å; F110-V145 HydrophobicContact CE2-CB 4.44Å; F110-V145 HydrophobicContact CE2-CG2 3.68Å; F110-K148 HydrophobicContact CZ-CB 3.98Å; F110-K148 HydrophobicContact CZ-CG 4.17Å
111	D	97.7	Very high	97	Very high	109 Å²	109	46 Å²	46	58%	0.583	27%	0.274	S	S	*	.	H	α-helix	trans	-65.4	-42.9	178	-64.4	-35	0	0	0	110.9	G108 L113 G114 E115	G108-D111 PolarHBondContact O-N 3.24Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.5Å; D111-G114 CarbonylContact O-C 3.33Å; D111-G114 WeakPolarHBondContact O-CA 3.48Å; D111-G114 PolarHBondContact O-N 3.42Å; D111-E115 WeakPolarHBondContact O-CG 3.44Å; D111-E115 PolarHBondContact O-N 3.11Å
112	R	97.6	Very high	96.9	Very high	81 Å²	81	51.2 Å²	51.2	31%	0.306	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-39.2	175.2	-173.2	178.8	-175.8	158.6	3.1	112.4	K78 H79 Y80 G108 G114 E115 I116	K78-R112 PolarHBondContact O-NH1 2.95Å; H79-R112 VanDerWaalsContact C-NH2 3.25Å; H79-R112 PolarHBondContact O-NH2 3.09Å; H79-R112 VanDerWaalsContact O-NH2 3.08Å; Y80-R112 PolarHBondContact O-NH2 3.31Å; G108-R112 WeakPolarHBondContact O-CB 3.43Å; G108-R112 PolarHBondContact O-N 3.13Å; R112-G114 VanDerWaalsContact C-N 3.28Å; R112-G114 PolarHBondContact O-N 2.82Å; R112-E115 PolarHBondContact O-N 3.43Å; R112-I116 HydrophobicContact CG-CD1 3.97Å; R112-I116 WeakPolarHBondContact O-CG1 3.44Å; R112-I116 PolarHBondContact O-N 2.9Å
113	L	98.4	Very high	96.8	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-43.8	170.8	172.3	66.6	0	0	0	110.6	V101 T103 D109 F110 D111 I116 T117 I126 V145 Y149	V101-L113 HydrophobicContact CB-CD1 4.4Å; V101-L113 HydrophobicContact CG1-CD1 3.49Å; V101-L113 VanDerWaalsContact CG1-CD1 3.49Å; V101-L113 HydrophobicContact CG2-CD1 4Å; T103-L113 HydrophobicContact CG2-CD2 3.98Å; D109-L113 PolarHBondContact O-N 3.44Å; D109-L113 VanDerWaalsContact O-N 3.14Å; F110-L113 WeakPolarHBondContact O-CB 3.42Å; F110-L113 PolarHBondContact O-N 2.94Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.5Å; L113-I116 PolarHBondContact O-N 2.78Å; L113-T117 HydrophobicContact CD1-CG2 3.81Å; L113-T117 HydrophobicContact CG-CG2 4.44Å; L113-T117 WeakPolarHBondContact O-CB 3.46Å; L113-T117 WeakPolarHBondContact O-CG2 3.44Å; L113-T117 PolarHBondContact O-N 3.17Å; L113-T117 PolarHBondContact O-OG1 3.42Å; L113-I126 HydrophobicContact CD1-CD1 4.38Å; L113-I126 HydrophobicContact CD1-CG1 4.24Å; L113-I126 HydrophobicContact CD1-CG2 4.04Å; L113-I126 HydrophobicContact CD2-CD1 4.31Å; L113-I126 HydrophobicContact CD2-CG2 3.97Å; L113-V145 HydrophobicContact CD2-CG1 4.42Å; L113-V145 HydrophobicContact CD2-CG2 4.49Å; L113-Y149 HydrophobicContact CD2-CD2 4.47Å; L113-Y149 HydrophobicContact CD2-CE2 3.84Å; L113-Y149 HydrophobicContact CG-CE2 4.12Å
114	G	98.2	Very high	96.8	Very high	23 Å²	23	54.3 Å²	54.3	24%	0.237	31%	0.311	C	S	.	.	H	α-helix	trans	-47.9	-56.5	169.2	0	0	0	0	0	113.6	F110 D111 R112 T117 A118 Y149	F110-G114 PolarHBondContact O-N 3.13Å; D111-G114 CarbonylContact O-C 3.33Å; D111-G114 WeakPolarHBondContact O-CA 3.48Å; D111-G114 PolarHBondContact O-N 3.42Å; R112-G114 VanDerWaalsContact C-N 3.28Å; R112-G114 PolarHBondContact O-N 2.82Å; G114-T117 PolarHBondContact O-OG1 3.08Å; G114-T117 VanDerWaalsContact O-OG1 3.13Å; G114-A118 VanDerWaalsContact O-CB 3.25Å; G114-A118 WeakPolarHBondContact O-CB 3.19Å; G114-A118 PolarHBondContact O-N 2.81Å; G114-Y149 WeakPolarHBondContact CA-OH 3.29Å; G114-Y149 PolarHBondContact N-OH 2.81Å
115	E	98.6	Very high	96.9	Very high	111 Å²	111	54.7 Å²	54.7	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-44.1	-176.8	-65.6	173.5	173.9	0	0	112.4	V82 D111 R112 A119	V82-E115 HydrophobicContact CG2-CB 3.67Å; D111-E115 WeakPolarHBondContact O-CG 3.44Å; D111-E115 PolarHBondContact O-N 3.11Å; R112-E115 PolarHBondContact O-N 3.43Å; E115-A119 WeakPolarHBondContact O-CB 3.29Å; E115-A119 PolarHBondContact O-N 3.2Å
116	I	98.6	Very high	97	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-47.5	-179.7	-66.5	165.7	0	0	0	110.9	V82 W85 V101 R112 L113 A118 A119 V120 L123	V82-I116 HydrophobicContact CG2-CG1 3.99Å; W85-I116 HydrophobicContact CB-CG2 4.23Å; W85-I116 HydrophobicContact CD2-CG2 3.8Å; W85-I116 HydrophobicContact CE3-CG2 4.43Å; W85-I116 HydrophobicContact CG-CG1 4.43Å; W85-I116 HydrophobicContact CG-CG2 3.7Å; V101-I116 HydrophobicContact CB-CG2 4.39Å; V101-I116 HydrophobicContact CG2-CB 4.32Å; V101-I116 HydrophobicContact CG2-CD1 4.04Å; V101-I116 HydrophobicContact CG2-CG2 3.87Å; R112-I116 HydrophobicContact CG-CD1 3.97Å; R112-I116 WeakPolarHBondContact O-CG1 3.44Å; R112-I116 PolarHBondContact O-N 2.9Å; L113-I116 PolarHBondContact O-N 2.78Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 3.38Å; I116-A119 PolarHBondContact O-N 2.88Å; I116-V120 PolarHBondContact O-N 3.35Å; I116-L123 HydrophobicContact CG2-CD1 3.87Å
117	T	98	Very high	97.3	Very high	12 Å²	12	51 Å²	51	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-34.1	-179.2	51.1	0	0	0	0	112.3	V101 L113 G114 V120 Y149	V101-T117 HydrophobicContact CG1-CG2 4Å; L113-T117 HydrophobicContact CD1-CG2 3.81Å; L113-T117 HydrophobicContact CG-CG2 4.44Å; L113-T117 WeakPolarHBondContact O-CB 3.46Å; L113-T117 WeakPolarHBondContact O-CG2 3.44Å; L113-T117 PolarHBondContact O-N 3.17Å; L113-T117 PolarHBondContact O-OG1 3.42Å; G114-T117 PolarHBondContact O-OG1 3.08Å; G114-T117 VanDerWaalsContact O-OG1 3.13Å; T117-V120 CarbonylContact O-C 3.59Å; T117-Y149 HydrophobicContact CG2-CE1 4.15Å; T117-Y149 VanDerWaalsContact OG1-CE1 3.28Å; T117-Y149 WeakPolarHBondContact OG1-CE1 3.5Å; T117-Y149 PolarHBondContact OG1-OH 3.41Å
118	A	98.1	Very high	97.7	Very high	77 Å²	77	41.1 Å²	41.1	64%	0.636	24%	0.235	S	C	*	.	H	α-helix	trans	-68.5	-37.9	172.1	0	0	0	0	0	112.3	G114 I116	G114-A118 VanDerWaalsContact O-CB 3.25Å; G114-A118 WeakPolarHBondContact O-CB 3.19Å; G114-A118 PolarHBondContact O-N 2.81Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 3.38Å
119	A	98.2	Very high	97.9	Very high	33 Å²	33	41.4 Å²	41.4	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-73.6	-29.8	178.7	0	0	0	0	0	113.6	V82 K86 E115 I116	V82-A119 HydrophobicContact CG1-CB 3.64Å; K86-A119 HydrophobicContact CD-CB 4.26Å; K86-A119 VanDerWaalsContact CE-CB 3.49Å; K86-A119 HydrophobicContact CG-CB 3.82Å; E115-A119 WeakPolarHBondContact O-CB 3.29Å; E115-A119 PolarHBondContact O-N 3.2Å; I116-A119 PolarHBondContact O-N 2.88Å
120	V	98.2	Very high	97.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.23	C	C	.	.			trans	-128.8	77.4	-179.7	-170.7	0	0	0	0	110	W85 A89 V96 I116 T117 Q122 L123	W85-V120 HydrophobicContact CB-CG2 4.13Å; A89-V120 HydrophobicContact CB-CB 4.45Å; A89-V120 HydrophobicContact CB-CG1 3.54Å; A89-V120 HydrophobicContact CB-CG2 3.98Å; V96-V120 HydrophobicContact CG1-CG1 4.02Å; I116-V120 PolarHBondContact O-N 3.35Å; T117-V120 CarbonylContact O-C 3.59Å; V120-Q122 VanDerWaalsContact CG1-OE1 3.31Å; V120-Q122 PolarHBondContact O-N 3.06Å; V120-L123 HydrophobicContact CB-CD1 3.96Å; V120-L123 HydrophobicContact CB-CG 4.23Å; V120-L123 HydrophobicContact CG1-CD1 4.19Å; V120-L123 HydrophobicContact CG1-CG 3.95Å; V120-L123 WeakPolarHBondContact O-CB 3.18Å; V120-L123 PolarHBondContact O-N 3.26Å; V120-L123 VanDerWaalsContact O-N 3.08Å
121	P	96.3	Very high	97.8	Very high	85 Å²	85	41.9 Å²	41.9	55%	0.552	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.4	-175.6	-22.9	34.4	0	0	0	114.7	L123 Q124	P121-L123 PolarHBondContact O-N 3.03Å; P121-Q124 PolarHBondContact O-NE2 3.37Å
122	Q	95.9	Very high	97.8	Very high	110 Å²	110	40.9 Å²	40.9	51%	0.514	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.9	176.7	-52.6	83.3	0.3	0	0	112.6	V96 V120 Q124	V96-Q122 HydrophobicContact CB-CB 4.47Å; V96-Q122 HydrophobicContact CG1-CB 3.85Å; V120-Q122 VanDerWaalsContact CG1-OE1 3.31Å; V120-Q122 PolarHBondContact O-N 3.06Å; Q122-Q124 PolarHBondContact O-N 2.88Å
123	L	97.8	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.			trans	-64.6	129.1	172.4	-74.8	170.1	0	0	0	109.7	W85 V96 M99 V101 I116 V120 P121 H152	W85-L123 HydrophobicContact CE3-CD1 4.09Å; W85-L123 HydrophobicContact CH2-CD1 4.41Å; W85-L123 HydrophobicContact CH2-CD2 4.26Å; W85-L123 HydrophobicContact CZ3-CD1 3.95Å; W85-L123 HydrophobicContact CZ3-CD2 3.81Å; W85-L123 HydrophobicContact CZ3-CG 4.41Å; V96-L123 HydrophobicContact CG1-CD2 3.8Å; V96-L123 HydrophobicContact CG1-CG 3.99Å; M99-L123 HydrophobicContact CB-CD2 4.46Å; V101-L123 HydrophobicContact CB-CD1 4.19Å; V101-L123 HydrophobicContact CG1-CD1 4.27Å; I116-L123 HydrophobicContact CG2-CD1 3.87Å; V120-L123 HydrophobicContact CB-CD1 3.96Å; V120-L123 HydrophobicContact CB-CG 4.23Å; V120-L123 HydrophobicContact CG1-CD1 4.19Å; V120-L123 HydrophobicContact CG1-CG 3.95Å; V120-L123 WeakPolarHBondContact O-CB 3.18Å; V120-L123 PolarHBondContact O-N 3.26Å; V120-L123 VanDerWaalsContact O-N 3.08Å; P121-L123 PolarHBondContact O-N 3.03Å; L123-H152 PolarHBondContact O-NE2 3.18Å
124	Q	98	Very high	97.8	Very high	78 Å²	78	40.4 Å²	40.4	36%	0.364	24%	0.236	S	C	.	.			trans	-123.6	-0.1	-179.1	-63	-60.3	-57.4	0	0	112.7	P121 Q122 H152 T153	P121-Q124 PolarHBondContact O-NE2 3.37Å; Q122-Q124 PolarHBondContact O-N 2.88Å; Q124-H152 WeakPolarHBondContact O-CA 3.25Å; Q124-T153 PolarHBondContact O-N 3.27Å
125	Y	98.9	Very high	97.8	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.1	-177	-61.3	-97.1	0	0	0	111.1	F38 S44 F73 P97 A100 V101 T153 M155	F38-Y125 AromaticContact CE2-CE1 3.68Å; F38-Y125 HydrophobicContact CE2-CE1 3.68Å; F38-Y125 HydrophobicContact CZ-CE1 4.12Å; S44-Y125 PolarHBondContact O-OH 3.11Å; F73-Y125 HydrophobicContact CE2-CD1 4.24Å; F73-Y125 AromaticContact CE2-CD2 3.84Å; F73-Y125 HydrophobicContact CE2-CD2 3.84Å; F73-Y125 HydrophobicContact CE2-CE1 4.29Å; F73-Y125 AromaticContact CE2-CE2 3.92Å; F73-Y125 HydrophobicContact CE2-CE2 3.92Å; F73-Y125 HydrophobicContact CE2-CG 4.03Å; F73-Y125 AromaticContact CZ-CD1 3.93Å; F73-Y125 HydrophobicContact CZ-CD1 3.93Å; F73-Y125 AromaticContact CZ-CD2 3.72Å; F73-Y125 HydrophobicContact CZ-CD2 3.72Å; F73-Y125 HydrophobicContact CZ-CE1 4.44Å; F73-Y125 HydrophobicContact CZ-CE2 4.27Å; F73-Y125 AromaticContact CZ-CG 3.55Å; F73-Y125 HydrophobicContact CZ-CG 3.55Å; P97-Y125 WeakPolarHBondContact O-CE2 3.25Å; A100-Y125 WeakPolarHBondContact CA-O 3.45Å; V101-Y125 PolarHBondContact N-O 2.92Å; V101-Y125 VanDerWaalsContact N-O 3.16Å; Y125-T153 VanDerWaalsContact CA-O 3.29Å; Y125-T153 WeakPolarHBondContact CA-O 3.22Å; Y125-T153 HydrophobicContact CD1-CG2 3.71Å; Y125-T153 HydrophobicContact CE1-CG2 3.74Å; Y125-M155 HydrophobicContact CD1-CE 3.99Å
126	I	98.9	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.1	176.9	-58.7	170.9	0	0	0	107.8	V101 T103 L113 V128 V145 Y149 H152 T153 M155	V101-I126 HydrophobicContact CG1-CG1 4.22Å; V101-I126 CarbonylContact O-C 3.55Å; V101-I126 WeakPolarHBondContact O-CA 3.23Å; T103-I126 HydrophobicContact CG2-CG2 4.37Å; L113-I126 HydrophobicContact CD1-CD1 4.38Å; L113-I126 HydrophobicContact CD1-CG1 4.24Å; L113-I126 HydrophobicContact CD1-CG2 4.04Å; L113-I126 HydrophobicContact CD2-CD1 4.31Å; L113-I126 HydrophobicContact CD2-CG2 3.97Å; I126-V128 HydrophobicContact CG2-CG2 4.03Å; I126-V145 HydrophobicContact CD1-CG1 4Å; I126-V145 HydrophobicContact CG2-CG1 4.24Å; I126-Y149 HydrophobicContact CD1-CD1 4.27Å; I126-Y149 HydrophobicContact CD1-CD2 3.72Å; I126-Y149 HydrophobicContact CD1-CE2 4.33Å; I126-Y149 HydrophobicContact CD1-CG 3.69Å; I126-H152 HydrophobicContact CD1-CB 3.78Å; I126-H152 HydrophobicContact CG1-CB 4.15Å; I126-T153 PolarHBondContact N-O 3.28Å; I126-M155 PolarHBondContact O-N 3.23Å
127	C	98.9	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	100.4	174.7	-177.4	0	0	0	0	110.2	A75 A100 V101 S102 T103 M155	A75-C127 HydrophobicContact CB-CB 4.4Å; A100-C127 HydrophobicContact CB-CB 4.14Å; V101-C127 PolarHBondContact O-N 2.72Å; S102-C127 CarbonylContact C-O 3.59Å; S102-C127 WeakPolarHBondContact CA-O 3.36Å; T103-C127 PolarHBondContact N-O 3.44Å; C127-M155 HydrophobicContact CB-CB 4.43Å
128	V	98.8	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.1	174.8	-165.1	0	0	0	0	108.5	T103 I126 F138 F141 V145 I154 M155 A156 G157	T103-V128 HydrophobicContact CG2-CB 4.42Å; T103-V128 HydrophobicContact CG2-CG1 4.23Å; T103-V128 HydrophobicContact CG2-CG2 4.09Å; T103-V128 WeakPolarHBondContact O-CA 3.28Å; I126-V128 HydrophobicContact CG2-CG2 4.03Å; V128-F138 HydrophobicContact CB-CE2 4.28Å; V128-F138 HydrophobicContact CB-CZ 4.48Å; V128-F138 HydrophobicContact CG1-CD2 4.39Å; V128-F138 HydrophobicContact CG1-CE2 3.54Å; V128-F138 HydrophobicContact CG1-CZ 4.18Å; V128-F141 HydrophobicContact CG1-CD1 3.6Å; V128-F141 HydrophobicContact CG1-CE1 3.64Å; V128-V145 HydrophobicContact CG2-CG1 4.4Å; V128-V145 HydrophobicContact CG2-CG2 4.36Å; V128-I154 HydrophobicContact CG2-CG2 4.09Å; V128-M155 PolarHBondContact N-O 3.4Å; V128-A156 WeakPolarHBondContact O-CA 3.33Å; V128-G157 PolarHBondContact O-N 2.84Å; V128-G157 VanDerWaalsContact O-N 3.14Å
129	D	98.3	Very high	97.8	Very high	45 Å²	45	43.7 Å²	43.7	24%	0.241	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.7	-168.2	-172.4	48.3	0	0	0	111.7	N54 T103 N158 K177	N54-D129 WeakPolarHBondContact ND2-CB 3.42Å; N54-D129 PolarHBondContact ND2-OD2 3.31Å; T103-D129 PolarHBondContact O-N 3Å; D129-N158 PolarHBondContact OD1-OD1 3.1Å; D129-K177 WeakPolarHBondContact OD1-CE 3.5Å; D129-K177 IonicContact OD1-NZ 3.9Å; D129-K177 PolarHBondContact OD1-NZ 2.85Å
130	V	96.3	Very high	97.8	Very high	27 Å²	27	46.1 Å²	46.1	16%	0.164	24%	0.242	C	C	.	.			trans	-137.3	156.9	172.8	-61.2	0	0	0	0	110.3	T105 N132 F138 G157 N158	T105-V130 HydrophobicContact CG2-CG1 3.85Å; V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.44Å; V130-F138 HydrophobicContact CB-CD2 4.22Å; V130-F138 HydrophobicContact CB-CE2 4.27Å; V130-F138 HydrophobicContact CG1-CD2 3.77Å; V130-F138 HydrophobicContact CG1-CE2 3.91Å; V130-F138 HydrophobicContact CG2-CB 4.41Å; V130-F138 HydrophobicContact CG2-CD1 4.26Å; V130-F138 HydrophobicContact CG2-CD2 3.36Å; V130-F138 HydrophobicContact CG2-CE1 4.38Å; V130-F138 HydrophobicContact CG2-CE2 3.48Å; V130-F138 VanDerWaalsContact CG2-CE2 3.48Å; V130-F138 HydrophobicContact CG2-CG 3.77Å; V130-F138 HydrophobicContact CG2-CZ 4.01Å; V130-G157 PolarHBondContact N-O 3.23Å; V130-G157 CarbonylContact O-C 3.52Å; V130-N158 PolarHBondContact O-N 3.09Å
131	A	93.2	Very high	97.8	Very high	65 Å²	65	47 Å²	47	54%	0.537	25%	0.246	S	C	.	.	S	Bend	trans	-65.7	-33.1	177.9	0	0	0	0	0	113.1
132	N	97.7	Very high	98	Very high	89 Å²	89	43 Å²	43	48%	0.476	22%	0.22	S	C	.	.			trans	-125.6	92.1	-177.9	-177.5	16.9	0	0	0	111.4	V130 Y134	V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.44Å; N132-Y134 PolarHBondContact O-N 3.3Å; N132-Y134 WeakPolarHBondContact OD1-CB 3.38Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.41Å; N132-Y134 PolarHBondContact OD1-N 2.92Å; N132-Y134 VanDerWaalsContact OD1-N 3.17Å
133	G	98.3	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-4.2	177.2	0	0	0	0	0	114.8	S135 F138 N158	G133-S135 VanDerWaalsContact C-N 3.26Å; G133-S135 PolarHBondContact O-N 2.85Å; G133-F138 WeakPolarHBondContact O-CD1 3.05Å; G133-N158 WeakPolarHBondContact CA-O 3.41Å; G133-N158 PolarHBondContact N-O 3.48Å
134	Y	98.5	Very high	98.1	Very high	73 Å²	73	46.1 Å²	46.1	29%	0.286	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.7	177.9	-65.5	-95.9	0	0	0	113.9	N132 V159 V160 T161 E163 M164 I180	N132-Y134 PolarHBondContact O-N 3.3Å; N132-Y134 WeakPolarHBondContact OD1-CB 3.38Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.41Å; N132-Y134 PolarHBondContact OD1-N 2.92Å; N132-Y134 VanDerWaalsContact OD1-N 3.17Å; Y134-V159 HydrophobicContact CD2-CG1 4.37Å; Y134-V159 HydrophobicContact CE2-CB 3.96Å; Y134-V159 HydrophobicContact CE2-CG1 4.16Å; Y134-V160 HydrophobicContact CE2-CG2 4.32Å; Y134-V160 VanDerWaalsContact OH-CG2 3.27Å; Y134-V160 WeakPolarHBondContact OH-CG2 3.39Å; Y134-V160 PolarHBondContact OH-N 2.86Å; Y134-T161 VanDerWaalsContact CE1-OG1 3.27Å; Y134-T161 WeakPolarHBondContact CE1-OG1 3.36Å; Y134-T161 PolarHBondContact OH-N 3.37Å; Y134-T161 PolarHBondContact OH-OG1 3.06Å; Y134-E163 WeakPolarHBondContact CE1-OE1 3.47Å; Y134-M164 HydrophobicContact CD1-CB 3.8Å; Y134-M164 HydrophobicContact CD1-CG 3.64Å; Y134-M164 HydrophobicContact CD1-SD 3.87Å; Y134-M164 HydrophobicContact CE1-CB 3.5Å; Y134-M164 VanDerWaalsContact CE1-CB 3.5Å; Y134-M164 HydrophobicContact CE1-CG 3.84Å; Y134-M164 HydrophobicContact CG-CG 4.08Å; Y134-M164 HydrophobicContact CG-SD 4.33Å; Y134-I180 HydrophobicContact CD2-CD1 4.2Å; Y134-I180 HydrophobicContact CE2-CD1 3.74Å
135	S	98.2	Very high	98.2	Very high	46 Å²	46	42.4 Å²	42.4	32%	0.322	22%	0.218	S	C	.	.			trans	-75.8	130.6	179.7	175.7	0	0	0	0	111	G133 H137 F138 V139	G133-S135 VanDerWaalsContact C-N 3.26Å; G133-S135 PolarHBondContact O-N 2.85Å; S135-H137 PolarHBondContact O-N 2.81Å; S135-H137 PolarHBondContact OG-N 3.43Å; S135-F138 WeakPolarHBondContact O-CA 3.46Å; S135-F138 VanDerWaalsContact O-CB 3.28Å; S135-F138 WeakPolarHBondContact O-CB 3.46Å; S135-F138 PolarHBondContact O-N 2.96Å; S135-V139 PolarHBondContact O-N 3.09Å
136	E	98	Very high	98.2	Very high	141 Å²	141	43.3 Å²	43.3	66%	0.659	22%	0.221	S	C	*	.	H	α-helix	trans	-55.3	-36.9	172.6	-175.8	179.5	-162.8	0	0	111.9	F138 V139 H140	E136-F138 PolarHBondContact O-N 2.98Å; E136-V139 WeakPolarHBondContact O-CB 3.46Å; E136-V139 PolarHBondContact O-N 3.33Å; E136-V139 VanDerWaalsContact O-N 3.17Å; E136-H140 PolarHBondContact O-N 2.98Å; E136-H140 IonicContact OE1-CE1 2.89Å
137	H	97.9	Very high	98.1	Very high	106 Å²	106	50.8 Å²	50.8	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-36.8	173.4	176.2	71.4	0	0	0	112.6	S135 F141	S135-H137 PolarHBondContact O-N 2.81Å; S135-H137 PolarHBondContact OG-N 3.43Å; H137-F141 PolarHBondContact O-N 2.6Å
138	F	98.6	Very high	98.1	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-70.7	-40	177.5	179.6	-109.9	0	0	0	111.4	T105 V128 V130 G133 S135 E136 H140 F141 V142 A156 G157 L168	T105-F138 HydrophobicContact CG2-CD2 3.91Å; V128-F138 HydrophobicContact CB-CE2 4.28Å; V128-F138 HydrophobicContact CB-CZ 4.48Å; V128-F138 HydrophobicContact CG1-CD2 4.39Å; V128-F138 HydrophobicContact CG1-CE2 3.54Å; V128-F138 HydrophobicContact CG1-CZ 4.18Å; V130-F138 HydrophobicContact CB-CD2 4.22Å; V130-F138 HydrophobicContact CB-CE2 4.27Å; V130-F138 HydrophobicContact CG1-CD2 3.77Å; V130-F138 HydrophobicContact CG1-CE2 3.91Å; V130-F138 HydrophobicContact CG2-CB 4.41Å; V130-F138 HydrophobicContact CG2-CD1 4.26Å; V130-F138 HydrophobicContact CG2-CD2 3.36Å; V130-F138 HydrophobicContact CG2-CE1 4.38Å; V130-F138 HydrophobicContact CG2-CE2 3.48Å; V130-F138 VanDerWaalsContact CG2-CE2 3.48Å; V130-F138 HydrophobicContact CG2-CG 3.77Å; V130-F138 HydrophobicContact CG2-CZ 4.01Å; G133-F138 WeakPolarHBondContact O-CD1 3.05Å; S135-F138 WeakPolarHBondContact O-CA 3.46Å; S135-F138 VanDerWaalsContact O-CB 3.28Å; S135-F138 WeakPolarHBondContact O-CB 3.46Å; S135-F138 PolarHBondContact O-N 2.96Å; E136-F138 PolarHBondContact O-N 2.98Å; F138-H140 VanDerWaalsContact C-N 3.34Å; F138-H140 PolarHBondContact O-N 2.83Å; F138-F141 WeakPolarHBondContact O-CB 3.34Å; F138-F141 PolarHBondContact O-N 2.62Å; F138-V142 HydrophobicContact CD1-CG2 4.46Å; F138-V142 HydrophobicContact CE1-CG2 4.09Å; F138-V142 HydrophobicContact CE2-CG2 4.37Å; F138-V142 HydrophobicContact CZ-CG2 4.05Å; F138-V142 WeakPolarHBondContact O-CG2 3.42Å; F138-V142 PolarHBondContact O-N 3.26Å; F138-A156 HydrophobicContact CE1-CB 4.28Å; F138-A156 HydrophobicContact CZ-CB 4Å; F138-G157 WeakPolarHBondContact CZ-O 3.42Å; F138-L168 HydrophobicContact CD1-CD2 3.78Å; F138-L168 HydrophobicContact CE1-CD1 3.96Å; F138-L168 HydrophobicContact CE1-CD2 3.69Å
139	V	98.7	Very high	98.1	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-45	174.2	-178.6	0	0	0	0	111	S135 E136 V142 K143 M164 E167 L168 A171	S135-V139 PolarHBondContact O-N 3.09Å; E136-V139 WeakPolarHBondContact O-CB 3.46Å; E136-V139 PolarHBondContact O-N 3.33Å; E136-V139 VanDerWaalsContact O-N 3.17Å; V139-V142 PolarHBondContact O-N 3.08Å; V139-K143 WeakPolarHBondContact O-CG 3.38Å; V139-K143 PolarHBondContact O-N 2.79Å; V139-K143 VanDerWaalsContact O-N 3.09Å; V139-M164 HydrophobicContact CG2-CE 3.34Å; V139-E167 HydrophobicContact CG1-CG 4.17Å; V139-E167 HydrophobicContact CG2-CG 4.25Å; V139-L168 HydrophobicContact CG2-CD2 4.16Å; V139-A171 HydrophobicContact CG1-CB 3.84Å
140	H	98.6	Very high	98.1	Very high	84 Å²	84	59.8 Å²	59.8	39%	0.389	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-45.3	174.6	-70.2	146.9	0	0	0	112	E136 F138 V142 K143 D144	E136-H140 PolarHBondContact O-N 2.98Å; E136-H140 IonicContact OE1-CE1 2.89Å; F138-H140 VanDerWaalsContact C-N 3.34Å; F138-H140 PolarHBondContact O-N 2.83Å; H140-V142 VanDerWaalsContact C-N 3.32Å; H140-V142 PolarHBondContact O-N 3.22Å; H140-K143 WeakPolarHBondContact O-CB 3.45Å; H140-K143 PolarHBondContact O-N 3.28Å; H140-K143 VanDerWaalsContact O-N 3.08Å; H140-D144 PolarHBondContact O-N 2.68Å
141	F	98.8	Very high	98.2	Very high	20 Å²	20	62.6 Å²	62.6	9%	0.088	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-41.7	176.5	-169.3	-89	0	0	0	112.6	T103 G104 T105 F110 V128 H137 F138 K143 D144 V145	T103-F141 HydrophobicContact CG2-CE1 3.94Å; T103-F141 HydrophobicContact CG2-CZ 4.27Å; G104-F141 WeakPolarHBondContact O-CE1 3.49Å; G104-F141 WeakPolarHBondContact O-CZ 3.42Å; T105-F141 HydrophobicContact CG2-CB 3.85Å; T105-F141 HydrophobicContact CG2-CD1 3.87Å; T105-F141 HydrophobicContact CG2-CD2 3.93Å; T105-F141 HydrophobicContact CG2-CE1 4.37Å; T105-F141 HydrophobicContact CG2-CE2 4.41Å; T105-F141 HydrophobicContact CG2-CG 3.61Å; F110-F141 HydrophobicContact CB-CE2 4.01Å; F110-F141 HydrophobicContact CB-CZ 4.17Å; F110-F141 HydrophobicContact CD2-CE1 4.44Å; F110-F141 AromaticContact CD2-CE2 3.81Å; F110-F141 HydrophobicContact CD2-CE2 3.81Å; F110-F141 AromaticContact CD2-CZ 3.7Å; F110-F141 HydrophobicContact CD2-CZ 3.7Å; F110-F141 HydrophobicContact CG-CE2 4.34Å; F110-F141 HydrophobicContact CG-CZ 4.43Å; V128-F141 HydrophobicContact CG1-CD1 3.6Å; V128-F141 HydrophobicContact CG1-CE1 3.64Å; H137-F141 PolarHBondContact O-N 2.6Å; F138-F141 WeakPolarHBondContact O-CB 3.34Å; F138-F141 PolarHBondContact O-N 2.62Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 2.97Å; F141-D144 PolarHBondContact O-N 3.14Å; F141-V145 HydrophobicContact CD1-CG2 3.7Å; F141-V145 HydrophobicContact CE1-CG2 3.41Å; F141-V145 VanDerWaalsContact CE1-CG2 3.41Å; F141-V145 HydrophobicContact CZ-CG2 4.11Å; F141-V145 VanDerWaalsContact O-CG2 3.29Å; F141-V145 WeakPolarHBondContact O-CG2 3.49Å; F141-V145 PolarHBondContact O-N 2.86Å
142	V	98.8	Very high	98.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-39.7	175.5	170.3	0	0	0	0	111.6	F138 V139 H140 V145 R146 A156 L168 A171 A173	F138-V142 HydrophobicContact CD1-CG2 4.46Å; F138-V142 HydrophobicContact CE1-CG2 4.09Å; F138-V142 HydrophobicContact CE2-CG2 4.37Å; F138-V142 HydrophobicContact CZ-CG2 4.05Å; F138-V142 WeakPolarHBondContact O-CG2 3.42Å; F138-V142 PolarHBondContact O-N 3.26Å; V139-V142 PolarHBondContact O-N 3.08Å; H140-V142 VanDerWaalsContact C-N 3.32Å; H140-V142 PolarHBondContact O-N 3.22Å; V142-V145 PolarHBondContact O-N 3.43Å; V142-R146 WeakPolarHBondContact O-CB 3.27Å; V142-R146 PolarHBondContact O-N 2.85Å; V142-A156 HydrophobicContact CG2-CB 3.89Å; V142-L168 HydrophobicContact CG2-CD2 4.28Å; V142-A171 HydrophobicContact CG1-CB 4.3Å; V142-A173 HydrophobicContact CG1-CB 4.06Å
143	K	98.8	Very high	98.5	Very high	93 Å²	93	56.4 Å²	56.4	40%	0.404	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-45.1	174.5	-69.3	173.3	-177.3	168.9	0	111.2	V139 H140 F141 R146 Q147 A171	V139-K143 WeakPolarHBondContact O-CG 3.38Å; V139-K143 PolarHBondContact O-N 2.79Å; V139-K143 VanDerWaalsContact O-N 3.09Å; H140-K143 WeakPolarHBondContact O-CB 3.45Å; H140-K143 PolarHBondContact O-N 3.28Å; H140-K143 VanDerWaalsContact O-N 3.08Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 2.97Å; K143-R146 PolarHBondContact O-N 3.09Å; K143-Q147 WeakPolarHBondContact O-CB 3.42Å; K143-Q147 PolarHBondContact O-N 2.79Å; K143-A171 HydrophobicContact CG-CB 3.9Å; K143-A171 WeakPolarHBondContact CG-O 3Å
144	D	98.7	Very high	98.6	Very high	82 Å²	82	56.4 Å²	56.4	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-44	179.4	-64.8	-20.2	0	0	0	111.4	F110 H140 F141 Q147 K148	F110-D144 HydrophobicContact CE2-CB 4.48Å; H140-D144 PolarHBondContact O-N 2.68Å; F141-D144 PolarHBondContact O-N 3.14Å; D144-Q147 PolarHBondContact O-N 3.1Å; D144-K148 WeakPolarHBondContact O-CB 3.32Å; D144-K148 PolarHBondContact O-N 2.67Å
145	V	98.8	Very high	98.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-45.9	174.2	176.2	0	0	0	0	110.5	F110 L113 I126 V128 F141 V142 Q147 K148 Y149 I154	F110-V145 HydrophobicContact CD2-CG2 4.03Å; F110-V145 HydrophobicContact CE2-CB 4.44Å; F110-V145 HydrophobicContact CE2-CG2 3.68Å; L113-V145 HydrophobicContact CD2-CG1 4.42Å; L113-V145 HydrophobicContact CD2-CG2 4.49Å; I126-V145 HydrophobicContact CD1-CG1 4Å; I126-V145 HydrophobicContact CG2-CG1 4.24Å; V128-V145 HydrophobicContact CG2-CG1 4.4Å; V128-V145 HydrophobicContact CG2-CG2 4.36Å; F141-V145 HydrophobicContact CD1-CG2 3.7Å; F141-V145 HydrophobicContact CE1-CG2 3.41Å; F141-V145 VanDerWaalsContact CE1-CG2 3.41Å; F141-V145 HydrophobicContact CZ-CG2 4.11Å; F141-V145 VanDerWaalsContact O-CG2 3.29Å; F141-V145 WeakPolarHBondContact O-CG2 3.49Å; F141-V145 PolarHBondContact O-N 2.86Å; V142-V145 PolarHBondContact O-N 3.43Å; V145-Q147 VanDerWaalsContact C-N 3.35Å; V145-Q147 PolarHBondContact O-N 3.4Å; V145-K148 PolarHBondContact O-N 3.09Å; V145-Y149 HydrophobicContact CG1-CD2 4.04Å; V145-Y149 WeakPolarHBondContact O-CB 3.49Å; V145-Y149 WeakPolarHBondContact O-CD2 3.35Å; V145-Y149 PolarHBondContact O-N 3.48Å; V145-I154 HydrophobicContact CB-CD1 4.44Å; V145-I154 HydrophobicContact CG1-CD1 3.77Å; V145-I154 HydrophobicContact CG1-CG1 4.28Å
146	R	98.8	Very high	98.6	Very high	33 Å²	33	50.8 Å²	50.8	13%	0.125	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-43.7	175.9	169.5	55.8	66.1	-154.5	-5.3	111.7	V142 K143 K148 Y149 P150 H152 I154 G172 D174	V142-R146 WeakPolarHBondContact O-CB 3.27Å; V142-R146 PolarHBondContact O-N 2.85Å; K143-R146 PolarHBondContact O-N 3.09Å; R146-K148 VanDerWaalsContact C-N 3.32Å; R146-K148 PolarHBondContact O-N 3.31Å; R146-Y149 PolarHBondContact NH1-O 3.09Å; R146-Y149 CarbonylContact O-C 3.58Å; R146-Y149 PolarHBondContact O-N 3.34Å; R146-P150 PolarHBondContact NH1-O 2.81Å; R146-P150 WeakPolarHBondContact O-CA 3.25Å; R146-H152 PolarHBondContact NH1-O 3.34Å; R146-H152 PolarHBondContact NH2-O 3.35Å; R146-I154 HydrophobicContact CB-CD1 3.94Å; R146-G172 VanDerWaalsContact CZ-O 3.29Å; R146-G172 PolarHBondContact NE-O 2.84Å; R146-G172 PolarHBondContact NH2-O 3.44Å; R146-D174 IonicContact CZ-OD2 2.66Å; R146-D174 IonicContact NH2-OD1 3.62Å; R146-D174 IonicContact NH2-OD2 3.79Å; R146-D174 PolarHBondContact NH2-OD2 3.01Å
147	Q	98.7	Very high	98.7	Very high	157 Å²	157	44.1 Å²	44.1	73%	0.734	22%	0.216	S	C	*	.	H	α-helix	trans	-61.8	-42.1	179.4	-175.8	179.4	4	0	0	111.4	K143 D144 V145	K143-Q147 WeakPolarHBondContact O-CB 3.42Å; K143-Q147 PolarHBondContact O-N 2.79Å; D144-Q147 PolarHBondContact O-N 3.1Å; V145-Q147 VanDerWaalsContact C-N 3.35Å; V145-Q147 PolarHBondContact O-N 3.4Å
148	K	98.6	Very high	98.7	Very high	134 Å²	134	39.8 Å²	39.8	58%	0.583	20%	0.196	S	C	*	.	H	α-helix	trans	-72.8	-35.7	178.6	-175.2	65.8	175.5	-170.4	0	112.9	F110 D144 V145 R146 P150	F110-K148 HydrophobicContact CZ-CB 3.98Å; F110-K148 HydrophobicContact CZ-CG 4.17Å; D144-K148 WeakPolarHBondContact O-CB 3.32Å; D144-K148 PolarHBondContact O-N 2.67Å; V145-K148 PolarHBondContact O-N 3.09Å; R146-K148 VanDerWaalsContact C-N 3.32Å; R146-K148 PolarHBondContact O-N 3.31Å; K148-P150 VanDerWaalsContact C-CD 3.45Å; K148-P150 WeakPolarHBondContact O-CD 3.47Å
149	Y	98.6	Very high	98.7	Very high	20 Å²	20	39.6 Å²	39.6	8%	0.078	20%	0.195	C	C	.	.			trans	-123.4	66.4	-173.9	-57.5	-78.5	0	0	0	112	L113 G114 T117 I126 V145 R146 T151 H152	L113-Y149 HydrophobicContact CD2-CD2 4.47Å; L113-Y149 HydrophobicContact CD2-CE2 3.84Å; L113-Y149 HydrophobicContact CG-CE2 4.12Å; G114-Y149 WeakPolarHBondContact CA-OH 3.29Å; G114-Y149 PolarHBondContact N-OH 2.81Å; T117-Y149 HydrophobicContact CG2-CE1 4.15Å; T117-Y149 VanDerWaalsContact OG1-CE1 3.28Å; T117-Y149 WeakPolarHBondContact OG1-CE1 3.5Å; T117-Y149 PolarHBondContact OG1-OH 3.41Å; I126-Y149 HydrophobicContact CD1-CD1 4.27Å; I126-Y149 HydrophobicContact CD1-CD2 3.72Å; I126-Y149 HydrophobicContact CD1-CE2 4.33Å; I126-Y149 HydrophobicContact CD1-CG 3.69Å; V145-Y149 HydrophobicContact CG1-CD2 4.04Å; V145-Y149 WeakPolarHBondContact O-CB 3.49Å; V145-Y149 WeakPolarHBondContact O-CD2 3.35Å; V145-Y149 PolarHBondContact O-N 3.48Å; R146-Y149 PolarHBondContact NH1-O 3.09Å; R146-Y149 CarbonylContact O-C 3.58Å; R146-Y149 PolarHBondContact O-N 3.34Å; Y149-T151 PolarHBondContact O-N 3.03Å; Y149-T151 VanDerWaalsContact O-N 3.11Å; Y149-H152 AromaticContact CD1-CE1 3.88Å; Y149-H152 AromaticContact CD1-ND1 3.97Å; Y149-H152 PolarHBondContact O-N 2.99Å
150	P	98.5	Very high	98.7	Very high	80 Å²	80	40 Å²	40	52%	0.519	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	-170.5	24.6	-35.2	0	0	0	113.8	R146 K148	R146-P150 PolarHBondContact NH1-O 2.81Å; R146-P150 WeakPolarHBondContact O-CA 3.25Å; K148-P150 VanDerWaalsContact C-CD 3.45Å; K148-P150 WeakPolarHBondContact O-CD 3.47Å
151	T	98.1	Very high	98.7	Very high	85 Å²	85	37 Å²	37	52%	0.521	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.7	-178.8	57.9	0	0	0	0	114.2	Y149	Y149-T151 PolarHBondContact O-N 3.03Å; Y149-T151 VanDerWaalsContact O-N 3.11Å
152	H	98.8	Very high	98.7	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.102	19%	0.186	C	C	.	.	S	Bend	trans	-75.2	143.3	178.2	-71	53.3	0	0	0	109.7	S41 L123 Q124 I126 R146 Y149	S41-H152 WeakPolarHBondContact CB-O 3.33Å; L123-H152 PolarHBondContact O-NE2 3.18Å; Q124-H152 WeakPolarHBondContact O-CA 3.25Å; I126-H152 HydrophobicContact CD1-CB 3.78Å; I126-H152 HydrophobicContact CG1-CB 4.15Å; R146-H152 PolarHBondContact NH1-O 3.34Å; R146-H152 PolarHBondContact NH2-O 3.35Å; Y149-H152 AromaticContact CD1-CE1 3.88Å; Y149-H152 AromaticContact CD1-ND1 3.97Å; Y149-H152 PolarHBondContact O-N 2.99Å
153	T	98.9	Very high	98.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.5	171.3	-59.4	0	0	0	0	109.3	F38 S41 Q124 Y125 I126 D174 I175	F38-T153 HydrophobicContact CB-CG2 4.27Å; F38-T153 HydrophobicContact CD1-CG2 4.1Å; F38-T153 HydrophobicContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-CG2 3.41Å; F38-T153 VanDerWaalsContact CD2-OG1 3.27Å; F38-T153 WeakPolarHBondContact CD2-OG1 3.19Å; F38-T153 HydrophobicContact CE1-CG2 4.31Å; F38-T153 HydrophobicContact CE2-CG2 3.63Å; F38-T153 HydrophobicContact CG-CG2 3.66Å; F38-T153 HydrophobicContact CZ-CG2 4.08Å; S41-T153 PolarHBondContact OG-OG1 3.24Å; Q124-T153 PolarHBondContact O-N 3.27Å; Y125-T153 VanDerWaalsContact CA-O 3.29Å; Y125-T153 WeakPolarHBondContact CA-O 3.22Å; Y125-T153 HydrophobicContact CD1-CG2 3.71Å; Y125-T153 HydrophobicContact CE1-CG2 3.74Å; I126-T153 PolarHBondContact N-O 3.28Å; T153-D174 VanDerWaalsContact CA-OD2 3.28Å; T153-D174 WeakPolarHBondContact CA-OD2 3.21Å; T153-D174 HydrophobicContact CG2-CB 3.76Å; T153-I175 HydrophobicContact CG2-CD1 3.91Å; T153-I175 HydrophobicContact CG2-CG1 4.21Å
154	I	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.6	-172.6	-62	171.4	0	0	0	109.8	V128 V145 R146 A173 D174 I175	V128-I154 HydrophobicContact CG2-CG2 4.09Å; V145-I154 HydrophobicContact CB-CD1 4.44Å; V145-I154 HydrophobicContact CG1-CD1 3.77Å; V145-I154 HydrophobicContact CG1-CG1 4.28Å; R146-I154 HydrophobicContact CB-CD1 3.94Å; I154-A173 HydrophobicContact CG2-CB 4.4Å; I154-D174 PolarHBondContact N-OD2 2.9Å; I154-D174 PolarHBondContact O-N 2.81Å; I154-I175 PolarHBondContact O-N 2.94Å
155	M	98.9	Very high	98.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.9	163.9	-51.1	173.9	-175.2	0	0	108.3	F73 A100 Y125 I126 C127 V128 I175 I217	F73-M155 HydrophobicContact CD1-CE 4.18Å; F73-M155 HydrophobicContact CE1-CE 3.59Å; F73-M155 HydrophobicContact CZ-CE 3.85Å; A100-M155 HydrophobicContact CB-SD 4.5Å; Y125-M155 HydrophobicContact CD1-CE 3.99Å; I126-M155 PolarHBondContact O-N 3.23Å; C127-M155 HydrophobicContact CB-CB 4.43Å; V128-M155 PolarHBondContact N-O 3.4Å; M155-I175 CarbonylContact C-O 3.56Å; M155-I175 WeakPolarHBondContact CA-O 3.19Å; M155-I175 HydrophobicContact CE-CD1 4.15Å; M155-I175 HydrophobicContact CG-CB 4.13Å; M155-I175 HydrophobicContact CG-CD1 4.07Å; M155-I217 HydrophobicContact CB-CD1 4.16Å; M155-I217 HydrophobicContact CG-CD1 3.91Å; M155-I217 HydrophobicContact SD-CD1 3.66Å
156	A	98.9	Very high	98.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.8	179.7	0	0	0	0	0	111.8	V128 F138 V142 A173 I175 I176 K177	V128-A156 WeakPolarHBondContact O-CA 3.33Å; F138-A156 HydrophobicContact CE1-CB 4.28Å; F138-A156 HydrophobicContact CZ-CB 4Å; V142-A156 HydrophobicContact CG2-CB 3.89Å; A156-A173 HydrophobicContact CB-CB 3.7Å; A156-I175 PolarHBondContact N-O 3.43Å; A156-I176 CarbonylContact O-C 3.5Å; A156-I176 WeakPolarHBondContact O-CA 3.12Å; A156-K177 PolarHBondContact O-N 3.4Å
157	G	98.6	Very high	98.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	-176.3	175.3	0	0	0	0	0	113.8	V128 V130 F138	V128-G157 PolarHBondContact O-N 2.84Å; V128-G157 VanDerWaalsContact O-N 3.14Å; V130-G157 PolarHBondContact N-O 3.23Å; V130-G157 CarbonylContact O-C 3.52Å; F138-G157 WeakPolarHBondContact CZ-O 3.42Å
158	N	98.6	Very high	98.7	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.08	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-106.4	146.8	11.3	-71.8	23.8	0	0	0	114.6	D129 V130 G133 K177 G179 I180 D219	D129-N158 PolarHBondContact OD1-OD1 3.1Å; V130-N158 PolarHBondContact O-N 3.09Å; G133-N158 WeakPolarHBondContact CA-O 3.41Å; G133-N158 PolarHBondContact N-O 3.48Å; N158-K177 WeakPolarHBondContact CA-O 3.48Å; N158-K177 WeakPolarHBondContact OD1-CB 3.34Å; N158-K177 WeakPolarHBondContact OD1-CE 3.13Å; N158-K177 PolarHBondContact OD1-NZ 2.7Å; N158-K177 VanDerWaalsContact OD1-NZ 3.11Å; N158-G179 VanDerWaalsContact CB-O 3.31Å; N158-G179 WeakPolarHBondContact CB-O 3.39Å; N158-G179 PolarHBondContact ND2-O 3.06Å; N158-I180 HydrophobicContact CB-CG1 4.23Å; N158-D219 PolarHBondContact ND2-OD2 2.89Å
159	V	98.9	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	171.7	174.3	-56.9	0	0	0	0	110.4	Y134 M164 V165 L168 I176 K177 V178 G179	Y134-V159 HydrophobicContact CD2-CG1 4.37Å; Y134-V159 HydrophobicContact CE2-CB 3.96Å; Y134-V159 HydrophobicContact CE2-CG1 4.16Å; V159-M164 HydrophobicContact CB-CB 4.11Å; V159-M164 HydrophobicContact CB-CG 4.09Å; V159-M164 HydrophobicContact CG1-CB 3.96Å; V159-M164 HydrophobicContact CG1-CG 3.38Å; V159-V165 HydrophobicContact CG2-CG2 3.8Å; V159-L168 HydrophobicContact CG1-CD1 3.73Å; V159-L168 HydrophobicContact CG2-CD1 4.49Å; V159-I176 HydrophobicContact CG2-CG2 3.39Å; V159-K177 PolarHBondContact N-O 3.06Å; V159-K177 VanDerWaalsContact N-O 3.14Å; V159-V178 CarbonylContact O-C 3.54Å; V159-V178 VanDerWaalsContact O-CA 3.26Å; V159-V178 WeakPolarHBondContact O-CA 3.32Å; V159-G179 PolarHBondContact O-N 2.82Å
160	V	98.8	Very high	98.8	Very high	11 Å²	11	31 Å²	31	7%	0.067	17%	0.166	C	C	.	.			trans	-139.5	1.7	-178.6	-71	0	0	0	0	114.7	Y134 I180 Y196 A201	Y134-V160 HydrophobicContact CE2-CG2 4.32Å; Y134-V160 VanDerWaalsContact OH-CG2 3.27Å; Y134-V160 WeakPolarHBondContact OH-CG2 3.39Å; Y134-V160 PolarHBondContact OH-N 2.86Å; V160-I180 HydrophobicContact CG1-CB 3.82Å; V160-I180 HydrophobicContact CG1-CD1 4.4Å; V160-I180 HydrophobicContact CG1-CG1 3.95Å; V160-I180 HydrophobicContact CG2-CD1 4.34Å; V160-Y196 HydrophobicContact CB-CD2 4.32Å; V160-Y196 HydrophobicContact CB-CG 4.07Å; V160-Y196 HydrophobicContact CG2-CD2 4.07Å; V160-Y196 HydrophobicContact CG2-CG 4.22Å; V160-A201 HydrophobicContact CB-CB 4.12Å; V160-A201 HydrophobicContact CG1-CB 4.3Å
161	T	98.8	Very high	98.8	Very high	21 Å²	21	27.8 Å²	27.8	13%	0.129	15%	0.146	C	C	.	.	S	Bend	trans	-133.3	154.2	-175.6	53.7	0	0	0	0	112.2	Y134 E163 M164 V165 Y196 E204	Y134-T161 VanDerWaalsContact CE1-OG1 3.27Å; Y134-T161 WeakPolarHBondContact CE1-OG1 3.36Å; Y134-T161 PolarHBondContact OH-N 3.37Å; Y134-T161 PolarHBondContact OH-OG1 3.06Å; T161-E163 WeakPolarHBondContact CB-OE2 3.19Å; T161-E163 PolarHBondContact O-N 3.21Å; T161-E163 PolarHBondContact OG1-OE1 3.25Å; T161-E163 PolarHBondContact OG1-OE2 3.38Å; T161-M164 PolarHBondContact O-N 2.84Å; T161-V165 WeakPolarHBondContact O-CG2 3.33Å; T161-V165 PolarHBondContact O-N 3.1Å; T161-Y196 HydrophobicContact CG2-CD2 4.31Å; T161-Y196 HydrophobicContact CG2-CE2 3.99Å; T161-E204 WeakPolarHBondContact CA-OE1 3.42Å; T161-E204 WeakPolarHBondContact CB-OE1 3.43Å
162	G	98.6	Very high	98.8	Very high	9 Å²	9	24 Å²	24	9%	0.093	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-37.7	-172.1	0	0	0	0	0	114.7	M164 V165 E166 E204	G162-M164 VanDerWaalsContact C-N 3.33Å; G162-M164 PolarHBondContact O-N 3.21Å; G162-V165 WeakPolarHBondContact O-CB 3.31Å; G162-V165 PolarHBondContact O-N 3.35Å; G162-E166 WeakPolarHBondContact O-CG 3.37Å; G162-E166 PolarHBondContact O-N 3.33Å; G162-E204 PolarHBondContact N-OE1 3.04Å
163	E	98.6	Very high	98.8	Very high	107 Å²	107	22.9 Å²	22.9	50%	0.5	12%	0.119	S	C	.	.	H	α-helix	trans	-64.1	-39.7	-177.4	80.6	-66.4	168.6	0	0	112.1	Y134 T161 E166 E167	Y134-E163 WeakPolarHBondContact CE1-OE1 3.47Å; T161-E163 WeakPolarHBondContact CB-OE2 3.19Å; T161-E163 PolarHBondContact O-N 3.21Å; T161-E163 PolarHBondContact OG1-OE1 3.25Å; T161-E163 PolarHBondContact OG1-OE2 3.38Å; E163-E166 PolarHBondContact O-N 3.11Å; E163-E167 PolarHBondContact O-N 2.84Å
164	M	98.8	Very high	98.8	Very high	7 Å²	7	22.8 Å²	22.8	3%	0.034	12%	0.118	C	C	.	.	H	α-helix	trans	-76.7	-29.1	-179.6	-160.2	67.6	-127.3	0	0	111.4	Y134 V139 V159 T161 G162 E167 L168	Y134-M164 HydrophobicContact CD1-CB 3.8Å; Y134-M164 HydrophobicContact CD1-CG 3.64Å; Y134-M164 HydrophobicContact CD1-SD 3.87Å; Y134-M164 HydrophobicContact CE1-CB 3.5Å; Y134-M164 VanDerWaalsContact CE1-CB 3.5Å; Y134-M164 HydrophobicContact CE1-CG 3.84Å; Y134-M164 HydrophobicContact CG-CG 4.08Å; Y134-M164 HydrophobicContact CG-SD 4.33Å; V139-M164 HydrophobicContact CG2-CE 3.34Å; V159-M164 HydrophobicContact CB-CB 4.11Å; V159-M164 HydrophobicContact CB-CG 4.09Å; V159-M164 HydrophobicContact CG1-CB 3.96Å; V159-M164 HydrophobicContact CG1-CG 3.38Å; T161-M164 PolarHBondContact O-N 2.84Å; G162-M164 VanDerWaalsContact C-N 3.33Å; G162-M164 PolarHBondContact O-N 3.21Å; M164-E167 HydrophobicContact CE-CB 3.93Å; M164-E167 HydrophobicContact CE-CG 3.83Å; M164-E167 VanDerWaalsContact CE-OE2 3.26Å; M164-E167 WeakPolarHBondContact CE-OE2 3.27Å; M164-L168 HydrophobicContact CE-CD2 4Å; M164-L168 HydrophobicContact CE-CG 3.85Å; M164-L168 WeakPolarHBondContact O-CB 3.13Å; M164-L168 VanDerWaalsContact O-CG 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.36Å; M164-L168 PolarHBondContact O-N 3.36Å
165	V	98.9	Very high	98.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-48.9	168.6	166.9	0	0	0	0	110.4	V159 T161 G162 L168 I169 I176 C205 A208 A209	V159-V165 HydrophobicContact CG2-CG2 3.8Å; T161-V165 WeakPolarHBondContact O-CG2 3.33Å; T161-V165 PolarHBondContact O-N 3.1Å; G162-V165 WeakPolarHBondContact O-CB 3.31Å; G162-V165 PolarHBondContact O-N 3.35Å; V165-L168 PolarHBondContact O-N 3.1Å; V165-I169 HydrophobicContact CG1-CD1 3.75Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.34Å; V165-I169 PolarHBondContact O-N 2.92Å; V165-I176 HydrophobicContact CG1-CB 4.42Å; V165-I176 HydrophobicContact CG1-CG1 4.04Å; V165-I176 HydrophobicContact CG2-CB 4.35Å; V165-I176 HydrophobicContact CG2-CG2 3.87Å; V165-C205 HydrophobicContact CG2-CB 3.66Å; V165-C205 VanDerWaalsContact CG2-SG 3.56Å; V165-A208 HydrophobicContact CB-CB 4.31Å; V165-A208 HydrophobicContact CG1-CB 4.05Å; V165-A209 HydrophobicContact CG1-CB 3.71Å
166	E	98.9	Very high	98.8	Very high	90 Å²	90	22.7 Å²	22.7	42%	0.421	12%	0.118	S	C	.	.	H	α-helix	trans	-60.6	-48	178.3	-69.3	177.9	-170.1	0	0	111.3	G162 E163 L168 I169 L170 A208 L212	G162-E166 WeakPolarHBondContact O-CG 3.37Å; G162-E166 PolarHBondContact O-N 3.33Å; E163-E166 PolarHBondContact O-N 3.11Å; E166-L168 PolarHBondContact O-N 2.92Å; E166-I169 PolarHBondContact O-N 3.26Å; E166-L170 WeakPolarHBondContact O-CB 3.31Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.46Å; E166-L170 PolarHBondContact O-N 2.99Å; E166-A208 HydrophobicContact CG-CB 4.2Å; E166-L212 HydrophobicContact CB-CD1 3.85Å; E166-L212 HydrophobicContact CG-CD1 3.8Å
167	E	98.9	Very high	98.8	Very high	90 Å²	90	22.8 Å²	22.8	42%	0.421	12%	0.118	S	C	.	.	H	α-helix	trans	-58.6	-46.7	179.2	-179.6	168.9	-164.7	0	0	112.2	V139 E163 M164 I169 L170 A171	V139-E167 HydrophobicContact CG1-CG 4.17Å; V139-E167 HydrophobicContact CG2-CG 4.25Å; E163-E167 PolarHBondContact O-N 2.84Å; M164-E167 HydrophobicContact CE-CB 3.93Å; M164-E167 HydrophobicContact CE-CG 3.83Å; M164-E167 VanDerWaalsContact CE-OE2 3.26Å; M164-E167 WeakPolarHBondContact CE-OE2 3.27Å; E167-I169 PolarHBondContact O-N 3.32Å; E167-L170 PolarHBondContact O-N 2.99Å; E167-A171 VanDerWaalsContact O-CB 3.25Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.49Å
168	L	98.9	Very high	98.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.8	-37.5	179.4	-70	175	0	0	0	112.6	F138 V139 V142 V159 M164 V165 E166 A171 G172 A173 I176	F138-L168 HydrophobicContact CD1-CD2 3.78Å; F138-L168 HydrophobicContact CE1-CD1 3.96Å; F138-L168 HydrophobicContact CE1-CD2 3.69Å; V139-L168 HydrophobicContact CG2-CD2 4.16Å; V142-L168 HydrophobicContact CG2-CD2 4.28Å; V159-L168 HydrophobicContact CG1-CD1 3.73Å; V159-L168 HydrophobicContact CG2-CD1 4.49Å; M164-L168 HydrophobicContact CE-CD2 4Å; M164-L168 HydrophobicContact CE-CG 3.85Å; M164-L168 WeakPolarHBondContact O-CB 3.13Å; M164-L168 VanDerWaalsContact O-CG 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.36Å; M164-L168 PolarHBondContact O-N 3.36Å; V165-L168 PolarHBondContact O-N 3.1Å; E166-L168 PolarHBondContact O-N 2.92Å; L168-A171 PolarHBondContact O-N 3.35Å; L168-G172 PolarHBondContact O-N 2.87Å; L168-G172 VanDerWaalsContact O-N 3.14Å; L168-A173 HydrophobicContact CB-CB 4.45Å; L168-A173 WeakPolarHBondContact O-CB 3.46Å; L168-A173 PolarHBondContact O-N 3.09Å; L168-I176 HydrophobicContact CB-CD1 3.48Å; L168-I176 VanDerWaalsContact CB-CD1 3.48Å; L168-I176 HydrophobicContact CB-CG1 4.47Å; L168-I176 HydrophobicContact CD1-CD1 4.29Å; L168-I176 HydrophobicContact CD1-CG2 4.27Å
169	I	98.9	Very high	98.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.7	-43.1	174.9	-70.8	167.2	0	0	0	110.6	N40 V165 E166 E167 A171 G172 I176 A209 L212	N40-I169 PolarHBondContact ND2-O 2.82Å; V165-I169 HydrophobicContact CG1-CD1 3.75Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.34Å; V165-I169 PolarHBondContact O-N 2.92Å; E166-I169 PolarHBondContact O-N 3.26Å; E167-I169 PolarHBondContact O-N 3.32Å; I169-A171 VanDerWaalsContact C-N 3.32Å; I169-G172 PolarHBondContact O-N 3.39Å; I169-I176 HydrophobicContact CD1-CG1 4.04Å; I169-I176 HydrophobicContact CG1-CD1 3.88Å; I169-I176 HydrophobicContact CG1-CG1 3.68Å; I169-A209 HydrophobicContact CD1-CB 3.72Å; I169-L212 HydrophobicContact CB-CD1 4.16Å; I169-L212 HydrophobicContact CD1-CD1 4.49Å; I169-L212 HydrophobicContact CG2-CB 4.03Å; I169-L212 HydrophobicContact CG2-CD1 4.03Å
170	L	98.8	Very high	98.8	Very high	110 Å²	110	23 Å²	23	58%	0.576	12%	0.12	S	C	*	.	H	α-helix	trans	-68.3	-32.5	177.4	-68	174.4	0	0	0	112.2	E166 E167 G172 L212	E166-L170 WeakPolarHBondContact O-CB 3.31Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.46Å; E166-L170 PolarHBondContact O-N 2.99Å; E167-L170 PolarHBondContact O-N 2.99Å; L170-G172 PolarHBondContact O-N 2.85Å; L170-L212 HydrophobicContact CD2-CD1 4.48Å; L170-L212 HydrophobicContact CG-CD1 4.26Å
171	A	98.8	Very high	98.7	Very high	12 Å²	12	23.1 Å²	23.1	10%	0.099	12%	0.124	C	C	.	.	H	α-helix	trans	-69.2	-21.1	173.6	0	0	0	0	0	113.2	V139 V142 K143 E167 L168 I169	V139-A171 HydrophobicContact CG1-CB 3.84Å; V142-A171 HydrophobicContact CG1-CB 4.3Å; K143-A171 HydrophobicContact CG-CB 3.9Å; K143-A171 WeakPolarHBondContact CG-O 3Å; E167-A171 VanDerWaalsContact O-CB 3.25Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.49Å; L168-A171 PolarHBondContact O-N 3.35Å; I169-A171 VanDerWaalsContact C-N 3.32Å
172	G	98.7	Very high	98.6	Very high	5 Å²	5	23.2 Å²	23.2	5%	0.052	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	131.3	-1.9	171.3	0	0	0	0	0	115.5	N40 R146 L168 I169 L170	N40-G172 WeakPolarHBondContact ND2-CA 3.15Å; N40-G172 PolarHBondContact ND2-O 3.49Å; R146-G172 VanDerWaalsContact CZ-O 3.29Å; R146-G172 PolarHBondContact NE-O 2.84Å; R146-G172 PolarHBondContact NH2-O 3.44Å; L168-G172 PolarHBondContact O-N 2.87Å; L168-G172 VanDerWaalsContact O-N 3.14Å; I169-G172 PolarHBondContact O-N 3.39Å; L170-G172 PolarHBondContact O-N 2.85Å
173	A	98.9	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.			trans	-68.2	146.2	174.1	0	0	0	0	0	111.5	N40 V142 I154 A156 L168 I176	N40-A173 PolarHBondContact ND2-O 2.82Å; V142-A173 HydrophobicContact CG1-CB 4.06Å; I154-A173 HydrophobicContact CG2-CB 4.4Å; A156-A173 HydrophobicContact CB-CB 3.7Å; L168-A173 HydrophobicContact CB-CB 4.45Å; L168-A173 WeakPolarHBondContact O-CB 3.46Å; L168-A173 PolarHBondContact O-N 3.09Å; A173-I176 HydrophobicContact CB-CD1 3.58Å
174	D	98.9	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-95.1	-35.3	176.4	-67.6	-71.8	0	0	0	112.2	F38 N40 S41 R146 T153 I154 H215	F38-D174 HydrophobicContact CB-CB 3.96Å; F38-D174 HydrophobicContact CD1-CB 4.34Å; F38-D174 HydrophobicContact CG-CB 4.29Å; N40-D174 WeakPolarHBondContact CA-OD1 3.5Å; N40-D174 VanDerWaalsContact CB-OD1 3.31Å; N40-D174 WeakPolarHBondContact CB-OD1 3.48Å; N40-D174 PolarHBondContact N-OD1 2.84Å; S41-D174 WeakPolarHBondContact CB-OD2 3.45Å; S41-D174 PolarHBondContact N-OD1 2.95Å; R146-D174 IonicContact CZ-OD2 2.66Å; R146-D174 IonicContact NH2-OD1 3.62Å; R146-D174 IonicContact NH2-OD2 3.79Å; R146-D174 PolarHBondContact NH2-OD2 3.01Å; T153-D174 VanDerWaalsContact CA-OD2 3.28Å; T153-D174 WeakPolarHBondContact CA-OD2 3.21Å; T153-D174 HydrophobicContact CG2-CB 3.76Å; I154-D174 PolarHBondContact N-OD2 2.9Å; I154-D174 PolarHBondContact O-N 2.81Å; D174-H215 PolarHBondContact O-N 3.03Å; D174-H215 VanDerWaalsContact O-N 3.07Å
175	I	98.9	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.8	-171.9	-43.9	177.2	0	0	0	108.8	F38 T153 I154 M155 A156 H215 I217 F238	F38-I175 HydrophobicContact CD1-CD1 4.13Å; F38-I175 HydrophobicContact CD1-CG1 4.02Å; F38-I175 HydrophobicContact CE1-CD1 3.48Å; F38-I175 VanDerWaalsContact CE1-CD1 3.48Å; F38-I175 HydrophobicContact CE1-CG1 3.83Å; F38-I175 HydrophobicContact CZ-CD1 3.8Å; T153-I175 HydrophobicContact CG2-CD1 3.91Å; T153-I175 HydrophobicContact CG2-CG1 4.21Å; I154-I175 PolarHBondContact O-N 2.94Å; M155-I175 CarbonylContact C-O 3.56Å; M155-I175 WeakPolarHBondContact CA-O 3.19Å; M155-I175 HydrophobicContact CE-CD1 4.15Å; M155-I175 HydrophobicContact CG-CB 4.13Å; M155-I175 HydrophobicContact CG-CD1 4.07Å; A156-I175 PolarHBondContact N-O 3.43Å; I175-H215 CarbonylContact C-O 3.4Å; I175-H215 VanDerWaalsContact CA-O 3.26Å; I175-H215 WeakPolarHBondContact CA-O 3.25Å; I175-H215 HydrophobicContact CG1-CB 4.28Å; I175-H215 HydrophobicContact CG2-CB 4.17Å; I175-I217 HydrophobicContact CB-CD1 4.38Å; I175-I217 HydrophobicContact CG2-CD1 3.56Å; I175-I217 HydrophobicContact CG2-CG1 3.59Å; I175-F238 HydrophobicContact CD1-CE2 3.97Å; I175-F238 HydrophobicContact CD1-CZ 4.32Å; I175-F238 HydrophobicContact CG2-CD2 4.22Å
176	I	98.9	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.1	-179.1	-52.5	-51.4	0	0	0	110.7	A156 V159 V165 L168 I169 A173 V178 H215 I216 I217	A156-I176 CarbonylContact O-C 3.5Å; A156-I176 WeakPolarHBondContact O-CA 3.12Å; V159-I176 HydrophobicContact CG2-CG2 3.39Å; V165-I176 HydrophobicContact CG1-CB 4.42Å; V165-I176 HydrophobicContact CG1-CG1 4.04Å; V165-I176 HydrophobicContact CG2-CB 4.35Å; V165-I176 HydrophobicContact CG2-CG2 3.87Å; L168-I176 HydrophobicContact CB-CD1 3.48Å; L168-I176 VanDerWaalsContact CB-CD1 3.48Å; L168-I176 HydrophobicContact CB-CG1 4.47Å; L168-I176 HydrophobicContact CD1-CD1 4.29Å; L168-I176 HydrophobicContact CD1-CG2 4.27Å; I169-I176 HydrophobicContact CD1-CG1 4.04Å; I169-I176 HydrophobicContact CG1-CD1 3.88Å; I169-I176 HydrophobicContact CG1-CG1 3.68Å; A173-I176 HydrophobicContact CB-CD1 3.58Å; I176-V178 HydrophobicContact CG2-CG2 4.49Å; I176-H215 PolarHBondContact N-O 3.35Å; I176-I216 HydrophobicContact CB-CG2 4.38Å; I176-I216 CarbonylContact O-C 3.4Å; I176-I216 VanDerWaalsContact O-CA 3.26Å; I176-I216 WeakPolarHBondContact O-CA 3.28Å; I176-I217 PolarHBondContact O-N 2.79Å
177	K	98.9	Very high	97.6	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.9	173.6	-104.3	163	46.4	84.8	0	109.6	D129 A156 N158 V159 I217 D219 M240	D129-K177 WeakPolarHBondContact OD1-CE 3.5Å; D129-K177 IonicContact OD1-NZ 3.9Å; D129-K177 PolarHBondContact OD1-NZ 2.85Å; A156-K177 PolarHBondContact O-N 3.4Å; N158-K177 WeakPolarHBondContact CA-O 3.48Å; N158-K177 WeakPolarHBondContact OD1-CB 3.34Å; N158-K177 WeakPolarHBondContact OD1-CE 3.13Å; N158-K177 PolarHBondContact OD1-NZ 2.7Å; N158-K177 VanDerWaalsContact OD1-NZ 3.11Å; V159-K177 PolarHBondContact N-O 3.06Å; V159-K177 VanDerWaalsContact N-O 3.14Å; K177-I217 HydrophobicContact CD-CD1 4.48Å; K177-I217 HydrophobicContact CG-CB 3.93Å; K177-I217 HydrophobicContact CG-CD1 3.93Å; K177-I217 HydrophobicContact CG-CG2 4Å; K177-D219 HydrophobicContact CG-CB 4.36Å; K177-D219 IonicContact NZ-OD2 3.81Å; K177-D219 PolarHBondContact NZ-OD2 2.8Å; K177-M240 HydrophobicContact CD-CE 3.96Å; K177-M240 HydrophobicContact CD-SD 4.23Å
178	V	98.9	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.2	-171.9	-179.6	0	0	0	0	110.2	V159 I176 Q198 A201 C205 I216 I217 D219	V159-V178 CarbonylContact O-C 3.54Å; V159-V178 VanDerWaalsContact O-CA 3.26Å; V159-V178 WeakPolarHBondContact O-CA 3.32Å; I176-V178 HydrophobicContact CG2-CG2 4.49Å; V178-Q198 PolarHBondContact O-NE2 3.47Å; V178-A201 HydrophobicContact CG1-CB 3.94Å; V178-C205 HydrophobicContact CB-CB 4.43Å; V178-C205 HydrophobicContact CG1-CB 3.98Å; V178-C205 HydrophobicContact CG2-CB 3.54Å; V178-I216 HydrophobicContact CG2-CB 4.04Å; V178-I216 HydrophobicContact CG2-CD1 4.28Å; V178-I216 HydrophobicContact CG2-CG2 4.16Å; V178-I217 PolarHBondContact N-O 2.66Å; V178-D219 PolarHBondContact O-N 2.9Å
179	G	98.6	Very high	97.2	Very high	5 Å²	5	21.6 Å²	21.6	5%	0.052	13%	0.132	C	C	.	.			trans	149.2	117.5	172.8	0	0	0	0	0	113.9	N158 V159 Q198	N158-G179 VanDerWaalsContact CB-O 3.31Å; N158-G179 WeakPolarHBondContact CB-O 3.39Å; N158-G179 PolarHBondContact ND2-O 3.06Å; V159-G179 PolarHBondContact O-N 2.82Å; G179-Q198 VanDerWaalsContact CA-OE1 3.28Å
180	I	98.6	Very high	97	Very high	15 Å²	15	30.3 Å²	30.3	8%	0.077	17%	0.17	C	C	.	.	S	Bend	trans	-123.5	115.8	172.2	-65.8	176.4	0	0	0	109.1	Y134 N158 V160 P182 T188 V194 G195	Y134-I180 HydrophobicContact CD2-CD1 4.2Å; Y134-I180 HydrophobicContact CE2-CD1 3.74Å; N158-I180 HydrophobicContact CB-CG1 4.23Å; V160-I180 HydrophobicContact CG1-CB 3.82Å; V160-I180 HydrophobicContact CG1-CD1 4.4Å; V160-I180 HydrophobicContact CG1-CG1 3.95Å; V160-I180 HydrophobicContact CG2-CD1 4.34Å; I180-P182 WeakPolarHBondContact O-CD 3.44Å; I180-T188 HydrophobicContact CG2-CG2 4.26Å; I180-V194 HydrophobicContact CG2-CG1 4.3Å; I180-G195 WeakPolarHBondContact O-CA 3.36Å
181	G	96.6	Very high	96.8	Very high	14 Å²	14	30.9 Å²	30.9	14%	0.144	17%	0.168	C	C	.	.	S	Bend	trans	84.3	0.1	-178.5	0	0	0	0	0	119.8	R189	G181-R189 PolarHBondContact O-NE 3.41Å
182	P	97.1	Very high	96.6	Very high	23 Å²	23	33.6 Å²	33.6	15%	0.149	18%	0.183	C	C	.	.			trans	-84.6	-12	-177.7	38.1	-40.9	0	0	0	113.4	I180 Q198 D219 G221	I180-P182 WeakPolarHBondContact O-CD 3.44Å; P182-Q198 HydrophobicContact CB-CB 4.07Å; P182-Q198 HydrophobicContact CB-CG 4.28Å; P182-Q198 HydrophobicContact CG-CG 4.49Å; P182-D219 WeakPolarHBondContact CG-O 3.39Å; P182-G221 VanDerWaalsContact O-CA 3.24Å; P182-G221 WeakPolarHBondContact O-CA 3.41Å; P182-G221 PolarHBondContact O-N 2.81Å
183	G	94.8	Very high	96.6	Very high	27 Å²	27	36.6 Å²	36.6	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	-63.5	142.1	-173.4	0	0	0	0	0	113.6	V185 C186	G183-V185 PolarHBondContact O-N 3.07Å; G183-V185 VanDerWaalsContact O-N 3.15Å; G183-C186 VanDerWaalsContact O-CB 3.29Å; G183-C186 WeakPolarHBondContact O-CB 3.2Å; G183-C186 PolarHBondContact O-N 2.98Å
184	S	92.1	Very high	96.5	Very high	62 Å²	62	40.6 Å²	40.6	43%	0.434	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26	-176.5	52.9	0	0	0	0	114.5	F266 K291	S184-F266 WeakPolarHBondContact OG-CE1 3.4Å; S184-K291 WeakPolarHBondContact O-CE 3.41Å; S184-K291 PolarHBondContact O-NZ 2.98Å; S184-K291 VanDerWaalsContact O-NZ 3.15Å
185	V	94.3	Very high	96.5	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.042	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	13.6	175.1	-70	0	0	0	0	113.2	M55 G183 F266 G290 K291 V293	M55-V185 HydrophobicContact CE-CG2 3.88Å; G183-V185 PolarHBondContact O-N 3.07Å; G183-V185 VanDerWaalsContact O-N 3.15Å; V185-F266 HydrophobicContact CB-CD1 4.47Å; V185-F266 HydrophobicContact CB-CE1 4.11Å; V185-F266 HydrophobicContact CG1-CD1 3.41Å; V185-F266 VanDerWaalsContact CG1-CD1 3.41Å; V185-F266 HydrophobicContact CG1-CE1 3.4Å; V185-F266 VanDerWaalsContact CG1-CE1 3.4Å; V185-F266 HydrophobicContact CG1-CG 4.28Å; V185-F266 HydrophobicContact CG1-CZ 4.27Å; V185-F266 HydrophobicContact CG2-CD1 4.26Å; V185-F266 HydrophobicContact CG2-CE1 3.57Å; V185-F266 HydrophobicContact CG2-CE2 4.3Å; V185-F266 HydrophobicContact CG2-CZ 3.59Å; V185-G290 CarbonylContact O-C 3.49Å; V185-G290 VanDerWaalsContact O-CA 3.28Å; V185-G290 WeakPolarHBondContact O-CA 3.37Å; V185-K291 HydrophobicContact CB-CG 4.16Å; V185-K291 HydrophobicContact CG1-CG 4.37Å; V185-K291 PolarHBondContact O-N 2.85Å; V185-V293 HydrophobicContact CG1-CG1 4.3Å; V185-V293 HydrophobicContact CG1-CG2 3.69Å
186	C	95	Very high	96.4	Very high	41 Å²	41	43.4 Å²	43.4	28%	0.277	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-85.5	142.9	175.1	-175.5	0	0	0	0	110.6	G183 T188	G183-C186 VanDerWaalsContact O-CB 3.29Å; G183-C186 WeakPolarHBondContact O-CB 3.2Å; G183-C186 PolarHBondContact O-N 2.98Å; C186-T188 PolarHBondContact SG-N 2.62Å; C186-T188 VanDerWaalsContact SG-N 3.44Å; C186-T188 PolarHBondContact SG-OG1 2.88Å
187	T	94.9	Very high	96.4	Very high	23 Å²	23	45 Å²	45	14%	0.141	27%	0.271	C	S	.	.			trans	-125.6	9.5	172.6	61.1	0	0	0	0	113.3	R189 K190 K191 S288 E289 G290 K291	T187-R189 PolarHBondContact O-N 2.76Å; T187-K190 WeakPolarHBondContact O-CB 3.43Å; T187-K190 PolarHBondContact O-N 3.49Å; T187-K191 VanDerWaalsContact O-CG 3.32Å; T187-K191 WeakPolarHBondContact O-CG 3.12Å; T187-K191 PolarHBondContact O-N 3.39Å; T187-S288 PolarHBondContact OG1-O 3.17Å; T187-E289 PolarHBondContact N-O 3.11Å; T187-E289 WeakPolarHBondContact OG1-CA 3.43Å; T187-E289 PolarHBondContact OG1-O 3.46Å; T187-G290 PolarHBondContact OG1-N 3.47Å; T187-K291 HydrophobicContact CG2-CB 4.02Å; T187-K291 HydrophobicContact CG2-CD 4.37Å; T187-K291 HydrophobicContact CG2-CG 4.19Å
188	T	94.4	Very high	96.4	Very high	17 Å²	17	45 Å²	45	10%	0.104	27%	0.27	C	S	.	.	H	α-helix	trans	-48.6	-54.4	177.2	-59.9	0	0	0	0	111.9	I180 C186 K190 K191 T192 E289	I180-T188 HydrophobicContact CG2-CG2 4.26Å; C186-T188 PolarHBondContact SG-N 2.62Å; C186-T188 VanDerWaalsContact SG-N 3.44Å; C186-T188 PolarHBondContact SG-OG1 2.88Å; T188-K190 PolarHBondContact O-N 2.92Å; T188-K190 VanDerWaalsContact O-N 3.13Å; T188-K191 PolarHBondContact O-N 3.08Å; T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.04Å; T188-E289 VanDerWaalsContact CB-OE2 3.25Å; T188-E289 WeakPolarHBondContact CB-OE2 3.34Å; T188-E289 WeakPolarHBondContact CG2-OE2 3.46Å; T188-E289 PolarHBondContact OG1-OE2 3Å
189	R	96.3	Very high	96.4	Very high	92 Å²	92	45 Å²	45	35%	0.347	27%	0.27	S	S	.	.	H	α-helix	trans	-52.9	-40.5	178.1	-68.5	-179.3	-176.6	-179.9	3	112.7	D11 G181 T187 G193 V194 Y196	D11-R189 IonicContact OD2-NH1 3.99Å; G181-R189 PolarHBondContact O-NE 3.41Å; T187-R189 PolarHBondContact O-N 2.76Å; R189-G193 VanDerWaalsContact O-CA 3.25Å; R189-G193 WeakPolarHBondContact O-CA 3.3Å; R189-G193 PolarHBondContact O-N 2.9Å; R189-V194 WeakPolarHBondContact CA-O 3.4Å; R189-V194 WeakPolarHBondContact CG-O 3.47Å; R189-Y196 PolarHBondContact NH2-O 3.21Å
190	K	94	Very high	96.4	Very high	183 Å²	183	45.5 Å²	45.5	80%	0.796	27%	0.274	S	S	*	.	H	α-helix	trans	-71.5	-35.6	178.7	-178.6	177.5	-179.9	178.6	0	112.3	T187 T188	T187-K190 WeakPolarHBondContact O-CB 3.43Å; T187-K190 PolarHBondContact O-N 3.49Å; T188-K190 PolarHBondContact O-N 2.92Å; T188-K190 VanDerWaalsContact O-N 3.13Å
191	K	94.1	Very high	96.4	Very high	121 Å²	121	44.8 Å²	44.8	53%	0.526	27%	0.27	S	S	.	.	H	α-helix	trans	-87.1	-36.2	-172.1	-68.1	-70.1	-173.6	172.3	0	113	T187 T188 S288 E289	T187-K191 VanDerWaalsContact O-CG 3.32Å; T187-K191 WeakPolarHBondContact O-CG 3.12Å; T187-K191 PolarHBondContact O-N 3.39Å; T188-K191 PolarHBondContact O-N 3.08Å; K191-S288 VanDerWaalsContact CE-O 3.31Å; K191-S288 WeakPolarHBondContact CE-O 3.45Å; K191-S288 WeakPolarHBondContact CG-O 3.41Å; K191-E289 HydrophobicContact CB-CG 4.49Å
192	T	96.3	Very high	96.5	Very high	69 Å²	69	44.1 Å²	44.1	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-119	-16.3	-171.3	69	0	0	0	0	113	T188 V194	T188-T192 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-OG1 3.04Å; T192-V194 PolarHBondContact O-N 3.39Å; T192-V194 WeakPolarHBondContact OG1-CB 3.36Å; T192-V194 PolarHBondContact OG1-N 3.37Å; T192-V194 VanDerWaalsContact OG1-N 3.1Å
193	G	96.9	Very high	96.6	Very high	68 Å²	68	46 Å²	46	70%	0.701	27%	0.271	S	S	*	.			trans	74.5	-1.7	-169.8	0	0	0	0	0	113.9	R189	R189-G193 VanDerWaalsContact O-CA 3.25Å; R189-G193 WeakPolarHBondContact O-CA 3.3Å; R189-G193 PolarHBondContact O-N 2.9Å
194	V	98.1	Very high	96.8	Very high	85 Å²	85	47.5 Å²	47.5	52%	0.515	27%	0.271	S	S	.	.			trans	-87	134.9	-177.2	-178.5	0	0	0	0	110.8	I180 R189 T192	I180-V194 HydrophobicContact CG2-CG1 4.3Å; R189-V194 WeakPolarHBondContact CA-O 3.4Å; R189-V194 WeakPolarHBondContact CG-O 3.47Å; T192-V194 PolarHBondContact O-N 3.39Å; T192-V194 WeakPolarHBondContact OG1-CB 3.36Å; T192-V194 PolarHBondContact OG1-N 3.37Å; T192-V194 VanDerWaalsContact OG1-N 3.1Å
195	G	97.8	Very high	97.1	Very high	35 Å²	35	44.6 Å²	44.6	36%	0.361	25%	0.25	S	S	.	.			trans	164.2	175.5	171.7	0	0	0	0	0	111.7	I180	I180-G195 WeakPolarHBondContact O-CA 3.36Å
196	Y	98.5	Very high	97.4	Very high	23 Å²	23	44.3 Å²	44.3	9%	0.09	25%	0.249	C	C	.	.			trans	-142.8	138.4	179.9	-151.7	-73.6	0	0	0	109.4	K9 V160 T161 R189 Q198 A201 E204	K9-Y196 HydrophobicContact CD-CE1 3.9Å; K9-Y196 WeakPolarHBondContact CE-OH 3.45Å; K9-Y196 HydrophobicContact CG-CE1 4.29Å; K9-Y196 PolarHBondContact NZ-OH 3.2Å; V160-Y196 HydrophobicContact CB-CD2 4.32Å; V160-Y196 HydrophobicContact CB-CG 4.07Å; V160-Y196 HydrophobicContact CG2-CD2 4.07Å; V160-Y196 HydrophobicContact CG2-CG 4.22Å; T161-Y196 HydrophobicContact CG2-CD2 4.31Å; T161-Y196 HydrophobicContact CG2-CE2 3.99Å; R189-Y196 PolarHBondContact NH2-O 3.21Å; Y196-Q198 PolarHBondContact O-N 2.93Å; Y196-A201 HydrophobicContact CD1-CB 3.77Å; Y196-A201 HydrophobicContact CE1-CB 4.36Å; Y196-A201 HydrophobicContact CG-CB 4.31Å; Y196-E204 PolarHBondContact OH-OE2 3.45Å
197	P	98.6	Very high	97.5	Very high	34 Å²	34	47.9 Å²	47.9	22%	0.221	27%	0.265	C	S	.	.			trans	-58.8	127.7	175.6	-30	40.7	0	0	0	112.1	K9 L10 D11 L199 S200 A201	K9-P197 HydrophobicContact CB-CB 4.04Å; K9-P197 HydrophobicContact CB-CG 3.62Å; L10-P197 CarbonylContact O-C 3.59Å; L10-P197 WeakPolarHBondContact O-CB 3.46Å; D11-P197 WeakPolarHBondContact OD1-CA 3.48Å; P197-L199 PolarHBondContact O-N 3.24Å; P197-S200 PolarHBondContact O-N 3.07Å; P197-A201 PolarHBondContact O-N 2.86Å
198	Q	98.8	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-36.5	-158.5	-175.5	63.1	5.8	0	0	112.7	D11 F12 V178 G179 P182 Y196 A201 V202 S218 D219	D11-Q198 PolarHBondContact OD1-N 2.88Å; F12-Q198 HydrophobicContact CE2-CB 4.06Å; F12-Q198 HydrophobicContact CE2-CG 3.58Å; F12-Q198 HydrophobicContact CZ-CB 4.26Å; F12-Q198 HydrophobicContact CZ-CG 3.57Å; V178-Q198 PolarHBondContact O-NE2 3.47Å; G179-Q198 VanDerWaalsContact CA-OE1 3.28Å; P182-Q198 HydrophobicContact CB-CB 4.07Å; P182-Q198 HydrophobicContact CB-CG 4.28Å; P182-Q198 HydrophobicContact CG-CG 4.49Å; Y196-Q198 PolarHBondContact O-N 2.93Å; Q198-A201 PolarHBondContact O-N 2.72Å; Q198-V202 WeakPolarHBondContact O-CB 3.29Å; Q198-V202 WeakPolarHBondContact O-CG2 3.28Å; Q198-V202 PolarHBondContact O-N 2.69Å; Q198-S218 PolarHBondContact NE2-OG 3.44Å; Q198-S218 VanDerWaalsContact NE2-OG 3.09Å; Q198-D219 PolarHBondContact NE2-O 3.32Å
199	L	98.8	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-46	179.1	176.1	71.1	0	0	0	110.6	L10 F12 V15 P197 V202 I203 A234 F333	L10-L199 HydrophobicContact CB-CD2 3.99Å; L10-L199 WeakPolarHBondContact O-CB 3.47Å; L10-L199 PolarHBondContact O-N 3.27Å; F12-L199 HydrophobicContact CD1-CB 4.04Å; F12-L199 HydrophobicContact CD1-CD1 4.07Å; F12-L199 HydrophobicContact CE1-CB 4.27Å; F12-L199 HydrophobicContact CE1-CD1 4.17Å; V15-L199 HydrophobicContact CB-CD2 4.18Å; V15-L199 HydrophobicContact CG1-CD2 3.7Å; V15-L199 HydrophobicContact CG2-CD2 3.36Å; P197-L199 PolarHBondContact O-N 3.24Å; L199-V202 PolarHBondContact O-N 3.36Å; L199-I203 HydrophobicContact CG-CD1 4.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.37Å; L199-I203 PolarHBondContact O-N 2.98Å; L199-I203 VanDerWaalsContact O-N 3.08Å; L199-A234 HydrophobicContact CD1-CB 3.53Å; L199-F333 HydrophobicContact CD1-CE1 4.46Å; L199-F333 HydrophobicContact CD1-CE2 4.12Å; L199-F333 HydrophobicContact CD1-CZ 3.88Å
200	S	98.8	Very high	98	Very high	17 Å²	17	46 Å²	46	12%	0.119	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-41.4	176.8	-72.8	0	0	0	0	112.7	K9 L10 P197 V202 I203 E204	K9-S200 WeakPolarHBondContact CA-OG 3.39Å; L10-S200 PolarHBondContact N-OG 2.89Å; L10-S200 PolarHBondContact O-N 3.14Å; P197-S200 PolarHBondContact O-N 3.07Å; S200-V202 VanDerWaalsContact C-N 3.31Å; S200-V202 PolarHBondContact O-N 3.25Å; S200-I203 PolarHBondContact O-N 3.47Å; S200-E204 PolarHBondContact O-N 2.96Å
201	A	98.8	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-43.9	175.2	0	0	0	0	0	111.4	V160 V178 Y196 P197 Q198 E204 C205	V160-A201 HydrophobicContact CB-CB 4.12Å; V160-A201 HydrophobicContact CG1-CB 4.3Å; V178-A201 HydrophobicContact CG1-CB 3.94Å; Y196-A201 HydrophobicContact CD1-CB 3.77Å; Y196-A201 HydrophobicContact CE1-CB 4.36Å; Y196-A201 HydrophobicContact CG-CB 4.31Å; P197-A201 PolarHBondContact O-N 2.86Å; Q198-A201 PolarHBondContact O-N 2.72Å; A201-E204 PolarHBondContact O-N 3.47Å; A201-C205 WeakPolarHBondContact O-CB 3.3Å; A201-C205 PolarHBondContact O-N 2.73Å; A201-C205 PolarHBondContact O-SG 3.06Å
202	V	98.9	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-45.2	177.3	169.4	0	0	0	0	111.8	Q198 L199 S200 A206 I216 S218 A234 A236	Q198-V202 WeakPolarHBondContact O-CB 3.29Å; Q198-V202 WeakPolarHBondContact O-CG2 3.28Å; Q198-V202 PolarHBondContact O-N 2.69Å; L199-V202 PolarHBondContact O-N 3.36Å; S200-V202 VanDerWaalsContact C-N 3.31Å; S200-V202 PolarHBondContact O-N 3.25Å; V202-A206 WeakPolarHBondContact O-CB 3.23Å; V202-A206 PolarHBondContact O-N 3.21Å; V202-I216 HydrophobicContact CG1-CD1 4.07Å; V202-S218 WeakPolarHBondContact CG2-OG 3.11Å; V202-A234 HydrophobicContact CB-CB 4.34Å; V202-A234 HydrophobicContact CG1-CB 3.64Å; V202-A236 HydrophobicContact CG1-CB 3.9Å
203	I	98.8	Very high	98.6	Very high	61 Å²	61	36 Å²	36	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-51.6	179.5	-66.2	172.1	0	0	0	110.2	L199 S200 C205 A206 D207 A234	L199-I203 HydrophobicContact CG-CD1 4.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.37Å; L199-I203 PolarHBondContact O-N 2.98Å; L199-I203 VanDerWaalsContact O-N 3.08Å; S200-I203 PolarHBondContact O-N 3.47Å; I203-C205 PolarHBondContact O-N 2.69Å; I203-A206 PolarHBondContact O-N 2.92Å; I203-D207 PolarHBondContact O-N 3.5Å; I203-A234 HydrophobicContact CG1-CB 3.81Å
204	E	98.8	Very high	98.7	Very high	60 Å²	60	32.8 Å²	32.8	28%	0.28	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-47.5	-178.8	-172	-175.6	135.3	0	0	111.9	T161 G162 Y196 S200 A201 A208	T161-E204 WeakPolarHBondContact CA-OE1 3.42Å; T161-E204 WeakPolarHBondContact CB-OE1 3.43Å; G162-E204 PolarHBondContact N-OE1 3.04Å; Y196-E204 PolarHBondContact OH-OE2 3.45Å; S200-E204 PolarHBondContact O-N 2.96Å; A201-E204 PolarHBondContact O-N 3.47Å; E204-A208 PolarHBondContact O-N 3.22Å
205	C	98.9	Very high	98.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.9	-32.3	-177.5	-67.6	0	0	0	0	112.8	V165 V178 A201 I203 A209 I216	V165-C205 HydrophobicContact CG2-CB 3.66Å; V165-C205 VanDerWaalsContact CG2-SG 3.56Å; V178-C205 HydrophobicContact CB-CB 4.43Å; V178-C205 HydrophobicContact CG1-CB 3.98Å; V178-C205 HydrophobicContact CG2-CB 3.54Å; A201-C205 WeakPolarHBondContact O-CB 3.3Å; A201-C205 PolarHBondContact O-N 2.73Å; A201-C205 PolarHBondContact O-SG 3.06Å; I203-C205 PolarHBondContact O-N 2.69Å; C205-A209 VanDerWaalsContact O-CB 3.3Å; C205-A209 WeakPolarHBondContact O-CB 3.46Å; C205-A209 PolarHBondContact O-N 2.84Å; C205-I216 HydrophobicContact CB-CD1 4.4Å; C205-I216 HydrophobicContact CB-CG2 4.45Å
206	A	98.9	Very high	98.7	Very high	1 Å²	1	28 Å²	28	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-48.1	176.1	0	0	0	0	0	110.3	V202 I203 A208 A209 H210 I216	V202-A206 WeakPolarHBondContact O-CB 3.23Å; V202-A206 PolarHBondContact O-N 3.21Å; I203-A206 PolarHBondContact O-N 2.92Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.89Å; A206-A209 PolarHBondContact O-N 3.33Å; A206-H210 VanDerWaalsContact O-CB 3.29Å; A206-H210 WeakPolarHBondContact O-CB 3.36Å; A206-H210 PolarHBondContact O-N 3.24Å; A206-I216 HydrophobicContact CB-CD1 3.7Å; A206-I216 HydrophobicContact CB-CG1 4.31Å
207	D	98.6	Very high	98.8	Very high	116 Å²	116	26.9 Å²	26.9	62%	0.62	17%	0.168	S	C	*	.	H	α-helix	trans	-57.9	-46.9	178.6	-74.6	-12.4	0	0	0	110.9	I203 G211	I203-D207 PolarHBondContact O-N 3.5Å; D207-G211 PolarHBondContact O-N 3.43Å
208	A	98.8	Very high	98.8	Very high	13 Å²	13	25.3 Å²	25.3	11%	0.107	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-49.8	176.8	0	0	0	0	0	112.7	V165 E166 E204 A206 G211	V165-A208 HydrophobicContact CB-CB 4.31Å; V165-A208 HydrophobicContact CG1-CB 4.05Å; E166-A208 HydrophobicContact CG-CB 4.2Å; E204-A208 PolarHBondContact O-N 3.22Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.89Å; A208-G211 PolarHBondContact O-N 3.04Å
209	A	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-46.3	-178.7	0	0	0	0	0	112.3	V165 I169 C205 A206 G211 L212 G213 G214 I216	V165-A209 HydrophobicContact CG1-CB 3.71Å; I169-A209 HydrophobicContact CD1-CB 3.72Å; C205-A209 VanDerWaalsContact O-CB 3.3Å; C205-A209 WeakPolarHBondContact O-CB 3.46Å; C205-A209 PolarHBondContact O-N 2.84Å; A206-A209 PolarHBondContact O-N 3.33Å; A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 2.75Å; A209-L212 CarbonylContact O-C 3.54Å; A209-L212 PolarHBondContact O-N 3.14Å; A209-L212 VanDerWaalsContact O-N 3.09Å; A209-G213 PolarHBondContact O-N 3.27Å; A209-G213 VanDerWaalsContact O-N 3.17Å; A209-G214 WeakPolarHBondContact O-CA 3.49Å; A209-G214 PolarHBondContact O-N 2.99Å; A209-I216 HydrophobicContact CB-CG2 3.42Å; A209-I216 VanDerWaalsContact CB-CG2 3.42Å
210	H	98.8	Very high	98.7	Very high	81 Å²	81	27 Å²	27	38%	0.375	17%	0.17	S	C	.	.	H	α-helix	trans	-66.7	-32.8	-177.9	-65.2	171.9	0	0	0	111.6	A206 L212 G213 G214 G235 D237	A206-H210 VanDerWaalsContact O-CB 3.29Å; A206-H210 WeakPolarHBondContact O-CB 3.36Å; A206-H210 PolarHBondContact O-N 3.24Å; H210-L212 PolarHBondContact O-N 3.08Å; H210-G213 PolarHBondContact O-N 3.29Å; H210-G214 PolarHBondContact CD2-O 2.86Å; H210-G235 PolarHBondContact CE1-O 3.02Å; H210-D237 IonicContact CD2-OD2 3.6Å; H210-D237 IonicContact CE1-OD1 2.86Å; H210-D237 IonicContact CE1-OD2 3.31Å; H210-D237 IonicContact NE2-OD1 2.99Å; H210-D237 PolarHBondContact NE2-OD1 3.33Å; H210-D237 IonicContact NE2-OD2 2.78Å; H210-D237 PolarHBondContact NE2-OD2 3.11Å
211	G	98.6	Very high	98.6	Very high	69 Å²	69	27.3 Å²	27.3	71%	0.711	18%	0.176	S	C	*	.	H	α-helix	trans	-57.7	-30.6	171.8	0	0	0	0	0	113.6	D207 A208 A209	D207-G211 PolarHBondContact O-N 3.43Å; A208-G211 PolarHBondContact O-N 3.04Å; A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 2.75Å
212	L	98.6	Very high	98.6	Very high	54 Å²	54	28 Å²	28	28%	0.283	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-0.3	176.1	-63.8	-179.7	0	0	0	114	R39 E166 I169 L170 A209 H210 G214	R39-L212 WeakPolarHBondContact CD-O 3.11Å; R39-L212 PolarHBondContact NE-O 2.8Å; E166-L212 HydrophobicContact CB-CD1 3.85Å; E166-L212 HydrophobicContact CG-CD1 3.8Å; I169-L212 HydrophobicContact CB-CD1 4.16Å; I169-L212 HydrophobicContact CD1-CD1 4.49Å; I169-L212 HydrophobicContact CG2-CB 4.03Å; I169-L212 HydrophobicContact CG2-CD1 4.03Å; L170-L212 HydrophobicContact CD2-CD1 4.48Å; L170-L212 HydrophobicContact CG-CD1 4.26Å; A209-L212 CarbonylContact O-C 3.54Å; A209-L212 PolarHBondContact O-N 3.14Å; A209-L212 VanDerWaalsContact O-N 3.09Å; H210-L212 PolarHBondContact O-N 3.08Å; L212-G214 PolarHBondContact O-N 2.92Å
213	G	98.3	Very high	98.5	Very high	39 Å²	39	33 Å²	33	40%	0.402	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	12.4	-172.2	0	0	0	0	0	114.4	A209 H210	A209-G213 PolarHBondContact O-N 3.27Å; A209-G213 VanDerWaalsContact O-N 3.17Å; H210-G213 PolarHBondContact O-N 3.29Å
214	G	98.7	Very high	98.4	Very high	1 Å²	1	32 Å²	32	1%	0.01	21%	0.209	C	C	.	.			trans	-79.5	179.7	169.1	0	0	0	0	0	112	A209 H210 L212	A209-G214 WeakPolarHBondContact O-CA 3.49Å; A209-G214 PolarHBondContact O-N 2.99Å; H210-G214 PolarHBondContact CD2-O 2.86Å; L212-G214 PolarHBondContact O-N 2.92Å
215	H	98.9	Very high	98.4	Very high	19 Å²	19	30.2 Å²	30.2	9%	0.088	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	165.1	-179.6	-61.6	70.1	0	0	0	110.3	Y36 T37 F38 D174 I175 I176 D237	Y36-H215 AromaticContact CD1-CD2 3.4Å; Y36-H215 WeakPolarHBondContact CD1-CD2 3.22Å; Y36-H215 AromaticContact CD1-NE2 3.19Å; Y36-H215 WeakPolarHBondContact CD1-NE2 3.49Å; Y36-H215 AromaticContact CE1-CD2 3.71Å; Y36-H215 AromaticContact CE1-NE2 3.92Å; Y36-H215 AromaticContact CG-CD2 3.76Å; Y36-H215 AromaticContact CG-NE2 3.61Å; T37-H215 PolarHBondContact O-CE1 3.46Å; F38-H215 AromaticContact CD1-ND1 3.81Å; D174-H215 PolarHBondContact O-N 3.03Å; D174-H215 VanDerWaalsContact O-N 3.07Å; I175-H215 CarbonylContact C-O 3.4Å; I175-H215 VanDerWaalsContact CA-O 3.26Å; I175-H215 WeakPolarHBondContact CA-O 3.25Å; I175-H215 HydrophobicContact CG1-CB 4.28Å; I175-H215 HydrophobicContact CG2-CB 4.17Å; I176-H215 PolarHBondContact N-O 3.35Å; H215-D237 WeakPolarHBondContact CA-OD2 3.35Å; H215-D237 HydrophobicContact CB-CB 4Å; H215-D237 WeakPolarHBondContact CB-OD2 3.34Å; H215-D237 IonicContact CD2-OD1 3.83Å; H215-D237 IonicContact CD2-OD2 3.91Å; H215-D237 IonicContact CG-OD2 3.65Å
216	I	98.9	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.4	174	67.4	159.2	0	0	0	114	I176 V178 V202 C205 A206 A209 A236 D237 F238	I176-I216 HydrophobicContact CB-CG2 4.38Å; I176-I216 CarbonylContact O-C 3.4Å; I176-I216 VanDerWaalsContact O-CA 3.26Å; I176-I216 WeakPolarHBondContact O-CA 3.28Å; V178-I216 HydrophobicContact CG2-CB 4.04Å; V178-I216 HydrophobicContact CG2-CD1 4.28Å; V178-I216 HydrophobicContact CG2-CG2 4.16Å; V202-I216 HydrophobicContact CG1-CD1 4.07Å; C205-I216 HydrophobicContact CB-CD1 4.4Å; C205-I216 HydrophobicContact CB-CG2 4.45Å; A206-I216 HydrophobicContact CB-CD1 3.7Å; A206-I216 HydrophobicContact CB-CG1 4.31Å; A209-I216 HydrophobicContact CB-CG2 3.42Å; A209-I216 VanDerWaalsContact CB-CG2 3.42Å; I216-A236 HydrophobicContact CD1-CB 4.36Å; I216-A236 HydrophobicContact CG1-CB 4.48Å; I216-D237 PolarHBondContact N-OD2 2.99Å; I216-D237 WeakPolarHBondContact O-CB 3.5Å; I216-D237 PolarHBondContact O-N 3Å; I216-D237 VanDerWaalsContact O-N 3.17Å; I216-F238 PolarHBondContact O-N 3.17Å
217	I	99	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.9	166.1	-67.3	151	0	0	0	107.8	M155 I175 I176 K177 V178 D219 F238 M240	M155-I217 HydrophobicContact CB-CD1 4.16Å; M155-I217 HydrophobicContact CG-CD1 3.91Å; M155-I217 HydrophobicContact SD-CD1 3.66Å; I175-I217 HydrophobicContact CB-CD1 4.38Å; I175-I217 HydrophobicContact CG2-CD1 3.56Å; I175-I217 HydrophobicContact CG2-CG1 3.59Å; I176-I217 PolarHBondContact O-N 2.79Å; K177-I217 HydrophobicContact CD-CD1 4.48Å; K177-I217 HydrophobicContact CG-CB 3.93Å; K177-I217 HydrophobicContact CG-CD1 3.93Å; K177-I217 HydrophobicContact CG-CG2 4Å; V178-I217 PolarHBondContact N-O 2.66Å; I217-D219 HydrophobicContact CG2-CB 4.37Å; I217-D219 PolarHBondContact O-N 3.14Å; I217-F238 CarbonylContact C-O 3.52Å; I217-F238 WeakPolarHBondContact CA-O 3.48Å; I217-F238 HydrophobicContact CB-CB 4.24Å; I217-F238 HydrophobicContact CG1-CB 3.53Å; I217-F238 HydrophobicContact CG1-CD2 4.29Å; I217-F238 HydrophobicContact CG1-CG 4.1Å; I217-F238 HydrophobicContact CG2-CB 4.48Å; I217-M240 HydrophobicContact CG2-CB 3.45Å; I217-M240 VanDerWaalsContact CG2-CB 3.45Å; I217-M240 HydrophobicContact CG2-CE 4.5Å
218	S	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112	164.2	-173	0	0	0	0	109	Q198 V202 F238 M240	Q198-S218 PolarHBondContact NE2-OG 3.44Å; Q198-S218 VanDerWaalsContact NE2-OG 3.09Å; V202-S218 WeakPolarHBondContact CG2-OG 3.11Å; S218-F238 PolarHBondContact N-O 2.78Å; S218-M240 PolarHBondContact O-N 3.21Å
219	D	98.8	Very high	98.4	Very high	23 Å²	23	25.4 Å²	25.4	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	112.2	-173.2	-176.9	16.5	0	0	0	112.6	N158 K177 V178 P182 Q198 I217 M240	N158-D219 PolarHBondContact ND2-OD2 2.89Å; K177-D219 HydrophobicContact CG-CB 4.36Å; K177-D219 IonicContact NZ-OD2 3.81Å; K177-D219 PolarHBondContact NZ-OD2 2.8Å; V178-D219 PolarHBondContact O-N 2.9Å; P182-D219 WeakPolarHBondContact CG-O 3.39Å; Q198-D219 PolarHBondContact NE2-O 3.32Å; I217-D219 HydrophobicContact CG2-CB 4.37Å; I217-D219 PolarHBondContact O-N 3.14Å; D219-M240 HydrophobicContact CB-CB 4.26Å; D219-M240 HydrophobicContact CB-SD 4.41Å; D219-M240 WeakPolarHBondContact OD1-CG 3.45Å; D219-M240 VanDerWaalsContact OD1-SD 3.4Å
220	G	96.4	Very high	98.4	Very high	13 Å²	13	25.7 Å²	25.7	13%	0.134	18%	0.183	C	C	.	.	S	Bend	trans	86.1	177	178.9	0	0	0	0	0	114.5	C222 M240	G220-C222 PolarHBondContact O-N 3.04Å; G220-C222 VanDerWaalsContact O-N 3.11Å; G220-M240 PolarHBondContact N-O 3Å
221	G	96.9	Very high	98.4	Very high	24 Å²	24	21.9 Å²	21.9	25%	0.247	17%	0.165	C	C	.	.			trans	78.4	-20.6	179.6	0	0	0	0	0	116.2	P182 T223	P182-G221 VanDerWaalsContact O-CA 3.24Å; P182-G221 WeakPolarHBondContact O-CA 3.41Å; P182-G221 PolarHBondContact O-N 2.81Å; G221-T223 PolarHBondContact O-N 2.9Å
222	C	98.6	Very high	98.5	Very high	13 Å²	13	18.9 Å²	18.9	9%	0.088	13%	0.133	C	C	.	.			trans	-72.4	125	175.2	-69.3	0	0	0	0	111.1	G220 D227 V228 L241 M244	G220-C222 PolarHBondContact O-N 3.04Å; G220-C222 VanDerWaalsContact O-N 3.11Å; C222-D227 HydrophobicContact CB-CB 4Å; C222-V228 HydrophobicContact CB-CG2 4.17Å; C222-L241 HydrophobicContact CB-CD2 3.69Å; C222-M244 HydrophobicContact CB-SD 3.99Å; C222-M244 WeakPolarHBondContact O-CG 3.41Å
223	T	97.1	Very high	98.5	Very high	107 Å²	107	16.6 Å²	16.6	66%	0.656	12%	0.122	S	C	*	.			trans	-119.1	-18.6	179.3	61.7	0	0	0	0	112.8	G221 D227	G221-T223 PolarHBondContact O-N 2.9Å; T223-D227 PolarHBondContact N-OD2 3.04Å; T223-D227 PolarHBondContact OG1-OD2 3.18Å
224	C	97.8	Very high	98.5	Very high	38 Å²	38	15.2 Å²	15.2	26%	0.257	11%	0.107	S	C	.	.	S	Bend	trans	-142.1	165	177.5	70	0	0	0	0	111.7	G226 D227 V228	C224-G226 PolarHBondContact O-N 3.13Å; C224-G226 VanDerWaalsContact O-N 3.13Å; C224-D227 PolarHBondContact N-OD2 2.93Å; C224-D227 WeakPolarHBondContact O-CB 3.28Å; C224-D227 PolarHBondContact O-N 3.42Å; C224-D227 PolarHBondContact SG-OD2 2.91Å; C224-D227 VanDerWaalsContact SG-OD2 3.35Å; C224-V228 PolarHBondContact O-N 3.01Å
225	P	98.6	Very high	98.5	Very high	23 Å²	23	15.7 Å²	15.7	15%	0.149	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-28.5	176	-26.8	34.9	0	0	0	114.5	D227 V228 S229 D307 V308	P225-D227 VanDerWaalsContact C-N 3.34Å; P225-V228 PolarHBondContact O-N 3.14Å; P225-S229 PolarHBondContact O-N 2.85Å; P225-S229 PolarHBondContact O-OG 2.96Å; P225-D307 WeakPolarHBondContact CG-OD2 3.18Å; P225-V308 HydrophobicContact CG-CG2 4.25Å
226	G	98.6	Very high	98.5	Very high	27 Å²	27	14.9 Å²	14.9	28%	0.278	11%	0.108	S	C	.	.	H	α-helix	trans	-63.8	-38.5	174.8	0	0	0	0	0	112.5	C224 S229 K230	C224-G226 PolarHBondContact O-N 3.13Å; C224-G226 VanDerWaalsContact O-N 3.13Å; G226-S229 WeakPolarHBondContact O-CB 3.4Å; G226-S229 PolarHBondContact O-N 3.09Å; G226-K230 VanDerWaalsContact O-CG 3.29Å; G226-K230 WeakPolarHBondContact O-CG 3.17Å; G226-K230 PolarHBondContact O-N 3.05Å
227	D	98.8	Very high	98.5	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-40.2	178	-56.9	-28.9	0	0	0	111	F12 C222 T223 C224 P225 S229 K230 A231 Q339	F12-D227 HydrophobicContact CB-CB 4.13Å; F12-D227 HydrophobicContact CD2-CB 3.95Å; F12-D227 HydrophobicContact CG-CB 4.05Å; C222-D227 HydrophobicContact CB-CB 4Å; T223-D227 PolarHBondContact N-OD2 3.04Å; T223-D227 PolarHBondContact OG1-OD2 3.18Å; C224-D227 PolarHBondContact N-OD2 2.93Å; C224-D227 WeakPolarHBondContact O-CB 3.28Å; C224-D227 PolarHBondContact O-N 3.42Å; C224-D227 PolarHBondContact SG-OD2 2.91Å; C224-D227 VanDerWaalsContact SG-OD2 3.35Å; P225-D227 VanDerWaalsContact C-N 3.34Å; D227-S229 VanDerWaalsContact C-N 3.27Å; D227-S229 PolarHBondContact O-N 3.14Å; D227-K230 WeakPolarHBondContact O-CB 3.35Å; D227-K230 PolarHBondContact O-N 3.16Å; D227-K230 VanDerWaalsContact O-N 3.09Å; D227-K230 IonicContact OD1-NZ 2.83Å; D227-A231 PolarHBondContact O-N 3.41Å; D227-Q339 PolarHBondContact OD1-NE2 2.85Å
228	V	98.9	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.7	-43.9	172.5	-178.5	0	0	0	0	110.7	I50 C222 C224 P225 K230 A231 F232 V239 L241 M244 V308 V312	I50-V228 HydrophobicContact CD1-CG1 4.16Å; I50-V228 HydrophobicContact CG1-CG1 4.49Å; C222-V228 HydrophobicContact CB-CG2 4.17Å; C224-V228 PolarHBondContact O-N 3.01Å; P225-V228 PolarHBondContact O-N 3.14Å; V228-K230 VanDerWaalsContact C-N 3.34Å; V228-K230 PolarHBondContact O-N 2.91Å; V228-A231 PolarHBondContact O-N 2.92Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.56Å; V228-F232 WeakPolarHBondContact O-CD2 3.38Å; V228-F232 PolarHBondContact O-N 2.93Å; V228-F232 VanDerWaalsContact O-N 3.1Å; V228-V239 HydrophobicContact CG1-CB 4.27Å; V228-V239 HydrophobicContact CG1-CG1 4.22Å; V228-V239 HydrophobicContact CG1-CG2 4.29Å; V228-V239 HydrophobicContact CG2-CG1 4.43Å; V228-L241 HydrophobicContact CG2-CD1 4.43Å; V228-L241 HydrophobicContact CG2-CD2 4.01Å; V228-M244 HydrophobicContact CG2-CE 4.47Å; V228-M244 HydrophobicContact CG2-SD 4.11Å; V228-V308 HydrophobicContact CG1-CG1 4.33Å; V228-V308 HydrophobicContact CG2-CG1 4.26Å; V228-V312 HydrophobicContact CB-CG2 4.42Å; V228-V312 HydrophobicContact CG1-CG2 3.98Å
229	S	98.9	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-37.2	176.7	-54.9	0	0	0	0	112.5	P225 G226 D227 G233 T315	P225-S229 PolarHBondContact O-N 2.85Å; P225-S229 PolarHBondContact O-OG 2.96Å; G226-S229 WeakPolarHBondContact O-CB 3.4Å; G226-S229 PolarHBondContact O-N 3.09Å; D227-S229 VanDerWaalsContact C-N 3.27Å; D227-S229 PolarHBondContact O-N 3.14Å; S229-G233 PolarHBondContact O-N 2.84Å; S229-T315 WeakPolarHBondContact CB-OG1 3.28Å; S229-T315 PolarHBondContact OG-OG1 2.95Å
230	K	98.9	Very high	98.5	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-68.1	-41	176	-69.3	166.4	-175.5	179.1	0	111.4	F12 V15 L17 G226 D227 V228 G233 A234 F333 Q339	F12-K230 HydrophobicContact CB-CD 4.03Å; F12-K230 HydrophobicContact CD1-CB 3.8Å; F12-K230 HydrophobicContact CE1-CB 4.4Å; F12-K230 VanDerWaalsContact O-CD 3.27Å; F12-K230 WeakPolarHBondContact O-CD 3.37Å; F12-K230 WeakPolarHBondContact O-CE 3.36Å; F12-K230 PolarHBondContact O-NZ 3.17Å; V15-K230 HydrophobicContact CG2-CD 4.18Å; V15-K230 WeakPolarHBondContact O-CE 3.36Å; V15-K230 PolarHBondContact O-NZ 3.28Å; L17-K230 HydrophobicContact CD1-CG 3.61Å; G226-K230 VanDerWaalsContact O-CG 3.29Å; G226-K230 WeakPolarHBondContact O-CG 3.17Å; G226-K230 PolarHBondContact O-N 3.05Å; D227-K230 WeakPolarHBondContact O-CB 3.35Å; D227-K230 PolarHBondContact O-N 3.16Å; D227-K230 VanDerWaalsContact O-N 3.09Å; D227-K230 IonicContact OD1-NZ 2.83Å; V228-K230 VanDerWaalsContact C-N 3.34Å; V228-K230 PolarHBondContact O-N 2.91Å; K230-G233 CarbonylContact O-C 3.36Å; K230-G233 PolarHBondContact O-N 3.47Å; K230-A234 VanDerWaalsContact O-CB 3.25Å; K230-A234 WeakPolarHBondContact O-CB 2.96Å; K230-A234 PolarHBondContact O-N 2.92Å; K230-F333 HydrophobicContact CB-CE1 4.21Å; K230-F333 HydrophobicContact CG-CE1 4.18Å; K230-F333 WeakPolarHBondContact O-CZ 3.49Å; K230-Q339 VanDerWaalsContact NZ-CD 3.33Å
231	A	98.9	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-47.9	174.9	0	0	0	0	0	111.5	F12 D227 V228 G233 A234 G235 A236 V239	F12-A231 HydrophobicContact CE1-CB 3.83Å; F12-A231 HydrophobicContact CZ-CB 3.85Å; D227-A231 PolarHBondContact O-N 3.41Å; V228-A231 PolarHBondContact O-N 2.92Å; A231-G233 PolarHBondContact O-N 3.03Å; A231-A234 PolarHBondContact O-N 2.72Å; A231-G235 PolarHBondContact O-N 3.38Å; A231-A236 HydrophobicContact CB-CB 4.46Å; A231-A236 VanDerWaalsContact O-CB 3.25Å; A231-A236 WeakPolarHBondContact O-CB 3.27Å; A231-A236 PolarHBondContact O-N 3.49Å; A231-A236 VanDerWaalsContact O-N 3.11Å; A231-V239 HydrophobicContact CB-CG1 4.45Å; A231-V239 HydrophobicContact CB-CG2 3.62Å
232	F	98.9	Very high	98.7	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-41.3	173.3	-72.1	-53.8	0	0	0	112.7	P49 I50 V228 A234 G235 A236 V239 L324 L327	P49-F232 HydrophobicContact CB-CE1 4.47Å; P49-F232 HydrophobicContact CG-CE1 3.69Å; P49-F232 HydrophobicContact CG-CZ 3.89Å; I50-F232 HydrophobicContact CD1-CE2 4.43Å; I50-F232 HydrophobicContact CG1-CE2 4.11Å; I50-F232 HydrophobicContact CG1-CZ 3.91Å; V228-F232 HydrophobicContact CG1-CD2 3.94Å; V228-F232 HydrophobicContact CG1-CE2 3.56Å; V228-F232 WeakPolarHBondContact O-CD2 3.38Å; V228-F232 PolarHBondContact O-N 2.93Å; V228-F232 VanDerWaalsContact O-N 3.1Å; F232-A234 PolarHBondContact O-N 3Å; F232-G235 PolarHBondContact O-N 2.87Å; F232-G235 VanDerWaalsContact O-N 3.14Å; F232-A236 WeakPolarHBondContact CD1-O 3.38Å; F232-V239 HydrophobicContact CD1-CG2 3.97Å; F232-V239 HydrophobicContact CD2-CG2 4.16Å; F232-V239 HydrophobicContact CE1-CG2 3.7Å; F232-V239 HydrophobicContact CE2-CG2 3.92Å; F232-V239 HydrophobicContact CG-CG2 4.17Å; F232-V239 HydrophobicContact CZ-CB 4.16Å; F232-V239 HydrophobicContact CZ-CG2 3.67Å; F232-L324 HydrophobicContact CB-CD1 4.2Å; F232-L324 HydrophobicContact CD1-CD2 4.44Å; F232-L324 HydrophobicContact CD2-CD1 4.04Å; F232-L324 HydrophobicContact CD2-CD2 4.47Å; F232-L324 HydrophobicContact CE1-CD2 4.25Å; F232-L324 HydrophobicContact CE2-CD2 4.26Å; F232-L324 HydrophobicContact CG-CD1 4.03Å; F232-L324 HydrophobicContact CZ-CD2 4.16Å; F232-L327 HydrophobicContact CB-CD2 3.67Å; F232-L327 HydrophobicContact CB-CG 4.48Å
233	G	98.9	Very high	98.6	Very high	6 Å²	6	13.5 Å²	13.5	6%	0.062	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-29.4	176.3	0	0	0	0	0	113.4	S229 K230 A231 G235 S328 T331	S229-G233 PolarHBondContact O-N 2.84Å; K230-G233 CarbonylContact O-C 3.36Å; K230-G233 PolarHBondContact O-N 3.47Å; A231-G233 PolarHBondContact O-N 3.03Å; G233-G235 VanDerWaalsContact C-N 3.29Å; G233-S328 WeakPolarHBondContact O-CA 3.48Å; G233-T331 VanDerWaalsContact CA-OG1 3.28Å; G233-T331 WeakPolarHBondContact CA-OG1 3.14Å; G233-T331 WeakPolarHBondContact O-CB 3.37Å
234	A	98.9	Very high	98.7	Very high	11 Å²	11	9.3 Å²	9.3	9%	0.091	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.1	177.1	0	0	0	0	0	114.2	L199 V202 I203 K230 A231 F232 F333	L199-A234 HydrophobicContact CD1-CB 3.53Å; V202-A234 HydrophobicContact CB-CB 4.34Å; V202-A234 HydrophobicContact CG1-CB 3.64Å; I203-A234 HydrophobicContact CG1-CB 3.81Å; K230-A234 VanDerWaalsContact O-CB 3.25Å; K230-A234 WeakPolarHBondContact O-CB 2.96Å; K230-A234 PolarHBondContact O-N 2.92Å; A231-A234 PolarHBondContact O-N 2.72Å; F232-A234 PolarHBondContact O-N 3Å; A234-F333 HydrophobicContact CB-CE2 4.04Å; A234-F333 HydrophobicContact CB-CZ 4.06Å
235	G	98.8	Very high	98.7	Very high	10 Å²	10	7.5 Å²	7.5	10%	0.103	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	0.1	176.5	0	0	0	0	0	114.9	H210 A231 F232 G233 D237	H210-G235 PolarHBondContact CE1-O 3.02Å; A231-G235 PolarHBondContact O-N 3.38Å; F232-G235 PolarHBondContact O-N 2.87Å; F232-G235 VanDerWaalsContact O-N 3.14Å; G233-G235 VanDerWaalsContact C-N 3.29Å; G235-D237 PolarHBondContact O-N 3.14Å
236	A	98.9	Very high	98.7	Very high	2 Å²	2	6.4 Å²	6.4	2%	0.017	5%	0.053	C	C	.	.			trans	-59.7	132.5	175	0	0	0	0	0	111.4	V202 I216 A231 F232 F238 V239	V202-A236 HydrophobicContact CG1-CB 3.9Å; I216-A236 HydrophobicContact CD1-CB 4.36Å; I216-A236 HydrophobicContact CG1-CB 4.48Å; A231-A236 HydrophobicContact CB-CB 4.46Å; A231-A236 VanDerWaalsContact O-CB 3.25Å; A231-A236 WeakPolarHBondContact O-CB 3.27Å; A231-A236 PolarHBondContact O-N 3.49Å; A231-A236 VanDerWaalsContact O-N 3.11Å; F232-A236 WeakPolarHBondContact CD1-O 3.38Å; A236-F238 WeakPolarHBondContact CB-O 3.26Å; A236-V239 HydrophobicContact CB-CG2 4.48Å
237	D	98.9	Very high	98.7	Very high	7 Å²	7	5.2 Å²	5.2	4%	0.037	4%	0.041	C	C	.	.	S	Bend	trans	-78	-33.8	174.4	-63.3	-71.6	0	0	0	111.3	R34 Y36 P49 H210 H215 I216 G235	R34-D237 IonicContact NH2-OD1 2.72Å; Y36-D237 HydrophobicContact CE1-CB 4.21Å; Y36-D237 HydrophobicContact CE2-CB 4.25Å; Y36-D237 WeakPolarHBondContact OH-CA 3.4Å; Y36-D237 WeakPolarHBondContact OH-CB 3.24Å; Y36-D237 PolarHBondContact OH-O 3.32Å; P49-D237 WeakPolarHBondContact CB-O 3.39Å; P49-D237 VanDerWaalsContact CG-O 3.28Å; P49-D237 WeakPolarHBondContact CG-O 3.46Å; H210-D237 IonicContact CD2-OD2 3.6Å; H210-D237 IonicContact CE1-OD1 2.86Å; H210-D237 IonicContact CE1-OD2 3.31Å; H210-D237 IonicContact NE2-OD1 2.99Å; H210-D237 PolarHBondContact NE2-OD1 3.33Å; H210-D237 IonicContact NE2-OD2 2.78Å; H210-D237 PolarHBondContact NE2-OD2 3.11Å; H215-D237 WeakPolarHBondContact CA-OD2 3.35Å; H215-D237 HydrophobicContact CB-CB 4Å; H215-D237 WeakPolarHBondContact CB-OD2 3.34Å; H215-D237 IonicContact CD2-OD1 3.83Å; H215-D237 IonicContact CD2-OD2 3.91Å; H215-D237 IonicContact CG-OD2 3.65Å; I216-D237 PolarHBondContact N-OD2 2.99Å; I216-D237 WeakPolarHBondContact O-CB 3.5Å; I216-D237 PolarHBondContact O-N 3Å; I216-D237 VanDerWaalsContact O-N 3.17Å; G235-D237 PolarHBondContact O-N 3.14Å
238	F	98.9	Very high	98.7	Very high	1 Å²	1	5.1 Å²	5.1	0%	0.004	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.9	177.4	-62	-99	0	0	0	111.3	Y36 F38 Y45 P49 V51 I175 I216 I217 S218 A236	Y36-F238 AromaticContact CD2-CE2 3.72Å; Y36-F238 HydrophobicContact CD2-CE2 3.72Å; Y36-F238 AromaticContact CD2-CZ 3.54Å; Y36-F238 HydrophobicContact CD2-CZ 3.54Å; Y36-F238 HydrophobicContact CE2-CD2 4.29Å; Y36-F238 HydrophobicContact CE2-CE1 4.28Å; Y36-F238 AromaticContact CE2-CE2 3.56Å; Y36-F238 HydrophobicContact CE2-CE2 3.56Å; Y36-F238 AromaticContact CE2-CZ 3.56Å; Y36-F238 HydrophobicContact CE2-CZ 3.56Å; F38-F238 HydrophobicContact CE1-CE2 4.3Å; F38-F238 HydrophobicContact CE1-CZ 4.39Å; F38-F238 HydrophobicContact CZ-CZ 4.22Å; Y45-F238 HydrophobicContact CD1-CE1 4.19Å; Y45-F238 HydrophobicContact CD1-CZ 4Å; Y45-F238 HydrophobicContact CD2-CE1 4.36Å; Y45-F238 HydrophobicContact CD2-CZ 4.47Å; Y45-F238 AromaticContact CE1-CE1 3.81Å; Y45-F238 HydrophobicContact CE1-CE1 3.81Å; Y45-F238 HydrophobicContact CE1-CZ 4.07Å; Y45-F238 HydrophobicContact CE2-CE1 4.02Å; Y45-F238 HydrophobicContact CG-CE1 4.43Å; Y45-F238 HydrophobicContact CG-CZ 4.19Å; Y45-F238 AromaticContact CZ-CE1 3.71Å; P49-F238 HydrophobicContact CB-CB 4.32Å; P49-F238 HydrophobicContact CB-CD1 3.29Å; P49-F238 HydrophobicContact CB-CE1 3.64Å; P49-F238 HydrophobicContact CB-CG 3.82Å; P49-F238 HydrophobicContact CB-CZ 4.41Å; P49-F238 CarbonylContact O-C 3.49Å; P49-F238 WeakPolarHBondContact O-CA 3.49Å; V51-F238 HydrophobicContact CG2-CB 4.17Å; V51-F238 HydrophobicContact CG2-CD1 3.97Å; V51-F238 HydrophobicContact CG2-CG 4.47Å; I175-F238 HydrophobicContact CD1-CE2 3.97Å; I175-F238 HydrophobicContact CD1-CZ 4.32Å; I175-F238 HydrophobicContact CG2-CD2 4.22Å; I216-F238 PolarHBondContact O-N 3.17Å; I217-F238 CarbonylContact C-O 3.52Å; I217-F238 WeakPolarHBondContact CA-O 3.48Å; I217-F238 HydrophobicContact CB-CB 4.24Å; I217-F238 HydrophobicContact CG1-CB 3.53Å; I217-F238 HydrophobicContact CG1-CD2 4.29Å; I217-F238 HydrophobicContact CG1-CG 4.1Å; I217-F238 HydrophobicContact CG2-CB 4.48Å; S218-F238 PolarHBondContact N-O 2.78Å; A236-F238 WeakPolarHBondContact CB-O 3.26Å
239	V	98.9	Very high	98.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.7	172.2	-179.3	0	0	0	0	109.4	P49 I50 V51 V228 A231 F232 A236 L241	P49-V239 PolarHBondContact O-N 3.39Å; I50-V239 WeakPolarHBondContact CA-O 3.36Å; V51-V239 PolarHBondContact N-O 3.36Å; V228-V239 HydrophobicContact CG1-CB 4.27Å; V228-V239 HydrophobicContact CG1-CG1 4.22Å; V228-V239 HydrophobicContact CG1-CG2 4.29Å; V228-V239 HydrophobicContact CG2-CG1 4.43Å; A231-V239 HydrophobicContact CB-CG1 4.45Å; A231-V239 HydrophobicContact CB-CG2 3.62Å; F232-V239 HydrophobicContact CD1-CG2 3.97Å; F232-V239 HydrophobicContact CD2-CG2 4.16Å; F232-V239 HydrophobicContact CE1-CG2 3.7Å; F232-V239 HydrophobicContact CE2-CG2 3.92Å; F232-V239 HydrophobicContact CG-CG2 4.17Å; F232-V239 HydrophobicContact CZ-CB 4.16Å; F232-V239 HydrophobicContact CZ-CG2 3.67Å; A236-V239 HydrophobicContact CB-CG2 4.48Å; V239-L241 HydrophobicContact CG1-CD2 3.86Å
240	M	98.9	Very high	98.6	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130	179.1	176.6	174.9	-74.5	0	0	111.3	V51 A53 A75 K177 I217 S218 D219 G220	V51-M240 HydrophobicContact CB-CB 4.2Å; V51-M240 HydrophobicContact CB-CE 4.27Å; V51-M240 HydrophobicContact CB-CG 4.49Å; V51-M240 HydrophobicContact CG1-CE 3.6Å; V51-M240 CarbonylContact O-C 3.52Å; V51-M240 VanDerWaalsContact O-CA 3.27Å; V51-M240 WeakPolarHBondContact O-CA 3.04Å; A53-M240 HydrophobicContact CB-CG 3.68Å; A53-M240 HydrophobicContact CB-SD 3.96Å; A75-M240 HydrophobicContact CB-CE 3.98Å; K177-M240 HydrophobicContact CD-CE 3.96Å; K177-M240 HydrophobicContact CD-SD 4.23Å; I217-M240 HydrophobicContact CG2-CB 3.45Å; I217-M240 VanDerWaalsContact CG2-CB 3.45Å; I217-M240 HydrophobicContact CG2-CE 4.5Å; S218-M240 PolarHBondContact O-N 3.21Å; D219-M240 HydrophobicContact CB-CB 4.26Å; D219-M240 HydrophobicContact CB-SD 4.41Å; D219-M240 WeakPolarHBondContact OD1-CG 3.45Å; D219-M240 VanDerWaalsContact OD1-SD 3.4Å; G220-M240 PolarHBondContact N-O 3Å
241	L	98.9	Very high	98.6	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.016	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.3	-172.6	-58.2	-177.5	0	0	0	111.2	I50 V51 A53 C222 V228 V239 M244 L245	I50-L241 HydrophobicContact CG2-CD1 3.64Å; I50-L241 HydrophobicContact CG2-CG 4.1Å; V51-L241 PolarHBondContact O-N 3.37Å; A53-L241 WeakPolarHBondContact CB-O 3.37Å; A53-L241 PolarHBondContact N-O 2.86Å; C222-L241 HydrophobicContact CB-CD2 3.69Å; V228-L241 HydrophobicContact CG2-CD1 4.43Å; V228-L241 HydrophobicContact CG2-CD2 4.01Å; V239-L241 HydrophobicContact CG1-CD2 3.86Å; L241-M244 HydrophobicContact CD1-CB 4.46Å; L241-M244 HydrophobicContact CD1-SD 4.29Å; L241-M244 HydrophobicContact CD2-SD 3.87Å; L241-L245 HydrophobicContact CB-CD1 3.91Å; L241-L245 HydrophobicContact CB-CG 3.91Å
242	G	98.2	Very high	98.5	Very high	12 Å²	12	10.4 Å²	10.4	12%	0.124	8%	0.077	C	C	.	.	S	Bend	trans	-99.2	-84.6	167.8	0	0	0	0	0	111.2	M244 L245 A246	G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.12Å; G242-M244 VanDerWaalsContact O-N 3.11Å; G242-L245 CarbonylContact O-C 3.5Å; G242-L245 WeakPolarHBondContact O-CA 3.34Å; G242-L245 PolarHBondContact O-N 3.36Å; G242-A246 PolarHBondContact O-N 3.09Å
243	G	97.6	Very high	98.2	Very high	21 Å²	21	11 Å²	11	22%	0.216	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.8	-171.3	0	0	0	0	0	116.2	L245 K298	G243-L245 VanDerWaalsContact C-N 3.27Å; G243-L245 PolarHBondContact O-N 2.89Å; G243-K298 PolarHBondContact O-NZ 3.31Å
244	M	98.4	Very high	97.9	Very high	18 Å²	18	17.3 Å²	17.3	9%	0.089	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.3	173.3	-69	-175.8	72.4	0	0	111.7	C222 V228 L241 G242 H248 K298 V308	C222-M244 HydrophobicContact CB-SD 3.99Å; C222-M244 WeakPolarHBondContact O-CG 3.41Å; V228-M244 HydrophobicContact CG2-CE 4.47Å; V228-M244 HydrophobicContact CG2-SD 4.11Å; L241-M244 HydrophobicContact CD1-CB 4.46Å; L241-M244 HydrophobicContact CD1-SD 4.29Å; L241-M244 HydrophobicContact CD2-SD 3.87Å; G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.12Å; G242-M244 VanDerWaalsContact O-N 3.11Å; M244-H248 PolarHBondContact O-CE1 3.03Å; M244-K298 PolarHBondContact O-NZ 3.4Å; M244-V308 HydrophobicContact CE-CG2 3.53Å
245	L	98.7	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-9.3	-177.9	-58.5	-176.5	0	0	0	113.9	A52 V58 M63 L67 L241 G242 G243 H248 S251 V301 T304 I305	A52-L245 HydrophobicContact CB-CD1 3.74Å; V58-L245 HydrophobicContact CG1-CB 3.88Å; V58-L245 HydrophobicContact CG1-CD1 4.37Å; M63-L245 HydrophobicContact CE-CB 4.26Å; M63-L245 WeakPolarHBondContact CE-O 3.22Å; L67-L245 HydrophobicContact CD2-CD1 4.37Å; L241-L245 HydrophobicContact CB-CD1 3.91Å; L241-L245 HydrophobicContact CB-CG 3.91Å; G242-L245 CarbonylContact O-C 3.5Å; G242-L245 WeakPolarHBondContact O-CA 3.34Å; G242-L245 PolarHBondContact O-N 3.36Å; G243-L245 VanDerWaalsContact C-N 3.27Å; G243-L245 PolarHBondContact O-N 2.89Å; L245-H248 PolarHBondContact O-ND1 3.24Å; L245-S251 PolarHBondContact O-OG 2.89Å; L245-V301 HydrophobicContact CD2-CG2 3.96Å; L245-T304 HydrophobicContact CD2-CG2 4.46Å; L245-I305 HydrophobicContact CD2-CD1 3.63Å
246	A	98.3	Very high	97.5	Very high	1 Å²	1	22 Å²	22	1%	0.008	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	152.8	170.8	0	0	0	0	0	111.8	V58 G242 F266 K298	V58-A246 HydrophobicContact CG2-CB 4.29Å; G242-A246 PolarHBondContact O-N 3.09Å; A246-F266 HydrophobicContact CB-CB 4.03Å; A246-F266 HydrophobicContact CB-CD1 3.94Å; A246-F266 HydrophobicContact CB-CD2 3.45Å; A246-F266 VanDerWaalsContact CB-CD2 3.45Å; A246-F266 HydrophobicContact CB-CE1 4.28Å; A246-F266 HydrophobicContact CB-CE2 3.83Å; A246-F266 HydrophobicContact CB-CG 3.53Å; A246-F266 HydrophobicContact CB-CZ 4.24Å; A246-K298 WeakPolarHBondContact O-CE 3.4Å; A246-K298 PolarHBondContact O-NZ 2.95Å
247	G	97.8	Very high	97.2	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	2.7	176.6	0	0	0	0	0	115.6	S251 Y297 K298	G247-S251 PolarHBondContact N-OG 3.1Å; G247-Y297 WeakPolarHBondContact O-CA 3.28Å; G247-K298 PolarHBondContact O-N 3.48Å
248	H	98.6	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-93.4	168.9	-179.1	-61.9	94.3	0	0	0	112.7	M244 L245 E250 S251 K264 K298 G299 V301 T304	M244-H248 PolarHBondContact O-CE1 3.03Å; L245-H248 PolarHBondContact O-ND1 3.24Å; H248-E250 PolarHBondContact O-N 3.1Å; H248-S251 PolarHBondContact N-OG 3.13Å; H248-S251 WeakPolarHBondContact O-CB 3.29Å; H248-S251 PolarHBondContact O-N 3.35Å; H248-S251 PolarHBondContact O-OG 2.83Å; H248-K264 VanDerWaalsContact O-CD 3.22Å; H248-K264 WeakPolarHBondContact O-CD 3.38Å; H248-K264 WeakPolarHBondContact O-CE 3.34Å; H248-K264 PolarHBondContact O-NZ 2.93Å; H248-K298 VanDerWaalsContact CD2-CB 3.45Å; H248-K298 WeakPolarHBondContact CD2-CB 3.49Å; H248-K298 VanDerWaalsContact CE1-CD 3.45Å; H248-K298 WeakPolarHBondContact CE1-CD 3.35Å; H248-K298 WeakPolarHBondContact NE2-CB 3.43Å; H248-K298 WeakPolarHBondContact NE2-CD 3.28Å; H248-G299 CarbonylContact C-O 3.52Å; H248-G299 WeakPolarHBondContact CA-O 3.15Å; H248-G299 VanDerWaalsContact CB-O 3.25Å; H248-G299 WeakPolarHBondContact CB-O 3.17Å; H248-G299 PolarHBondContact CD2-O 2.89Å; H248-V301 HydrophobicContact CB-CB 3.91Å; H248-V301 HydrophobicContact CB-CG2 4.37Å; H248-V301 VanDerWaalsContact CD2-CA 3.44Å; H248-V301 WeakPolarHBondContact CD2-CA 3.4Å; H248-T304 PolarHBondContact CE1-OG1 3.07Å; H248-T304 WeakPolarHBondContact NE2-CB 3.29Å; H248-T304 PolarHBondContact NE2-OG1 2.84Å
249	S	98.3	Very high	96.6	Very high	53 Å²	53	40.1 Å²	40.1	37%	0.371	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-44.7	172.8	-52.2	0	0	0	0	111.7	Y297 G299	S249-Y297 PolarHBondContact OG-OH 2.97Å; S249-G299 PolarHBondContact N-O 3.06Å; S249-G299 PolarHBondContact OG-O 3.42Å
250	E	98.6	Very high	96.3	Very high	37 Å²	37	43.4 Å²	43.4	17%	0.173	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.9	-175.4	-58.1	85.7	170.3	0	0	113.4	T60 E62 M63 A66 H248 V301	T60-E250 PolarHBondContact OG1-O 3.05Å; E62-E250 HydrophobicContact CB-CB 4.05Å; E62-E250 HydrophobicContact CB-CG 4.44Å; M63-E250 HydrophobicContact CE-CB 4.16Å; A66-E250 HydrophobicContact CB-CG 3.96Å; H248-E250 PolarHBondContact O-N 3.1Å; E250-V301 HydrophobicContact CB-CG1 4.44Å; E250-V301 HydrophobicContact CG-CG1 4.16Å; E250-V301 PolarHBondContact OE1-N 3.42Å; E250-V301 WeakPolarHBondContact OE2-CB 3.2Å; E250-V301 PolarHBondContact OE2-N 3.31Å
251	S	98	Very high	96.1	Very high	8 Å²	8	49.5 Å²	49.5	6%	0.056	28%	0.284	C	S	.	.	S	Bend	trans	-64.3	153.9	174.6	-53.2	0	0	0	0	110.9	T57 L245 G247 H248 K264	T57-S251 WeakPolarHBondContact O-CA 3.47Å; T57-S251 VanDerWaalsContact O-CB 3.28Å; T57-S251 WeakPolarHBondContact O-CB 3.19Å; L245-S251 PolarHBondContact O-OG 2.89Å; G247-S251 PolarHBondContact N-OG 3.1Å; H248-S251 PolarHBondContact N-OG 3.13Å; H248-S251 WeakPolarHBondContact O-CB 3.29Å; H248-S251 PolarHBondContact O-N 3.35Å; H248-S251 PolarHBondContact O-OG 2.83Å; S251-K264 PolarHBondContact O-NZ 3.17Å
252	G	96.5	Very high	96	Very high	19 Å²	19	54.4 Å²	54.4	20%	0.196	31%	0.305	C	S	.	.			trans	-71.1	-165.2	161.8	0	0	0	0	0	111.7	T57 K264	T57-G252 PolarHBondContact O-N 3.47Å; G252-K264 WeakPolarHBondContact O-CE 3.33Å; G252-K264 PolarHBondContact O-NZ 3.21Å
253	G	93.4	Very high	96	Very high	19 Å²	19	56 Å²	56	20%	0.196	31%	0.308	C	S	.	.	S	Bend	trans	81.9	141.5	178.9	0	0	0	0	0	113.2	K264	G253-K264 WeakPolarHBondContact O-CE 3.39Å
254	E	92.3	Very high	95.9	Very high	138 Å²	138	55.5 Å²	55.5	65%	0.645	30%	0.3	S	S	*	.			trans	-66.4	140.4	-177.7	-170.9	176.3	-176.8	0	0	111.4	K264 L265	E254-K264 VanDerWaalsContact O-CA 3.29Å; E254-K264 WeakPolarHBondContact O-CA 3.49Å; E254-L265 HydrophobicContact CB-CD1 4.21Å; E254-L265 PolarHBondContact O-N 3.2Å
255	V	94.3	Very high	95.8	Very high	75 Å²	75	56.4 Å²	56.4	46%	0.455	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.7	172.4	-178.4	0	0	0	0	108.4	K262 Y263 K264	V255-K262 HydrophobicContact CG1-CB 4.46Å; V255-Y263 CarbonylContact C-O 3.41Å; V255-Y263 VanDerWaalsContact CA-O 3.3Å; V255-Y263 WeakPolarHBondContact CA-O 3.29Å; V255-K264 HydrophobicContact CG2-CD 4.14Å; V255-K264 HydrophobicContact CG2-CG 4Å
256	I	94.3	Very high	95.7	Very high	46 Å²	46	56.6 Å²	56.6	24%	0.236	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.4	179	-57.5	174	0	0	0	108.5	K262 Y263 L265	I256-K262 CarbonylContact O-C 3.53Å; I256-K262 WeakPolarHBondContact O-CA 3.44Å; I256-Y263 PolarHBondContact N-O 3.39Å; I256-Y263 PolarHBondContact O-N 2.8Å; I256-L265 HydrophobicContact CD1-CD1 4.06Å; I256-L265 HydrophobicContact CD1-CD2 3.6Å; I256-L265 HydrophobicContact CD1-CG 3.61Å; I256-L265 HydrophobicContact CG1-CG 4.46Å
257	E	94.4	Very high	95.6	Very high	135 Å²	135	56.8 Å²	56.8	63%	0.631	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.3	172.6	-166.5	165.8	159.5	0	0	110.4	K261 K262	E257-K261 WeakPolarHBondContact CA-O 3.46Å; E257-K262 HydrophobicContact CG-CG 4.46Å
258	K	92.7	Very high	95.3	Very high	102 Å²	102	57.1 Å²	57.1	44%	0.443	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	124.8	-177.8	-173.3	177.5	-177.3	177.8	0	110.1	G260 K261 Y263	K258-G260 PolarHBondContact O-N 3.45Å; K258-K261 PolarHBondContact N-O 3.34Å; K258-K261 PolarHBondContact O-N 3.49Å; K258-Y263 HydrophobicContact CB-CD2 4.26Å; K258-Y263 HydrophobicContact CB-CE2 4.04Å
259	N	92.1	Very high	95.1	Very high	153 Å²	153	60 Å²	60	82%	0.818	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	41.2	179.7	-56.4	-25.9	0	0	0	113	K261	N259-K261 PolarHBondContact O-N 3.22Å
260	G	92.7	Very high	94.5	Very high	69 Å²	69	60.1 Å²	60.1	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	7.6	-179.2	0	0	0	0	0	115.2	K258	K258-G260 PolarHBondContact O-N 3.45Å
261	K	94.9	Very high	93.7	Very high	129 Å²	129	58.4 Å²	58.4	56%	0.561	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.5	172.8	-68.7	-174.8	178.4	-175.6	0	110.3	E257 K258 N259 Y263	E257-K261 WeakPolarHBondContact CA-O 3.46Å; K258-K261 PolarHBondContact N-O 3.34Å; K258-K261 PolarHBondContact O-N 3.49Å; N259-K261 PolarHBondContact O-N 3.22Å; K261-Y263 HydrophobicContact CB-CD2 4.48Å; K261-Y263 HydrophobicContact CB-CE2 3.61Å; K261-Y263 WeakPolarHBondContact O-CD2 3.08Å; K261-Y263 WeakPolarHBondContact O-CE2 3.45Å
262	K	96.3	Very high	93	Very high	106 Å²	106	61.4 Å²	61.4	46%	0.461	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	139.8	172.8	-67.9	-178.4	-179.6	-177.5	0	110.2	V255 I256 E257 Y297	V255-K262 HydrophobicContact CG1-CB 4.46Å; I256-K262 CarbonylContact O-C 3.53Å; I256-K262 WeakPolarHBondContact O-CA 3.44Å; E257-K262 HydrophobicContact CG-CG 4.46Å; K262-Y297 HydrophobicContact CB-CD1 4.45Å; K262-Y297 HydrophobicContact CB-CG 4.2Å; K262-Y297 VanDerWaalsContact O-CB 3.3Å; K262-Y297 WeakPolarHBondContact O-CB 3.41Å; K262-Y297 PolarHBondContact O-N 3.01Å
263	Y	97.1	Very high	92.5	Very high	44 Å²	44	63 Å²	63	17%	0.173	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.1	175.8	-59.5	-95.2	0	0	0	109.1	V255 I256 K258 K261 E294 V295 V296	V255-Y263 CarbonylContact C-O 3.41Å; V255-Y263 VanDerWaalsContact CA-O 3.3Å; V255-Y263 WeakPolarHBondContact CA-O 3.29Å; I256-Y263 PolarHBondContact N-O 3.39Å; I256-Y263 PolarHBondContact O-N 2.8Å; K258-Y263 HydrophobicContact CB-CD2 4.26Å; K258-Y263 HydrophobicContact CB-CE2 4.04Å; K261-Y263 HydrophobicContact CB-CD2 4.48Å; K261-Y263 HydrophobicContact CB-CE2 3.61Å; K261-Y263 WeakPolarHBondContact O-CD2 3.08Å; K261-Y263 WeakPolarHBondContact O-CE2 3.45Å; Y263-E294 HydrophobicContact CD1-CB 4.08Å; Y263-E294 HydrophobicContact CG-CB 4.28Å; Y263-V295 CarbonylContact C-O 3.57Å; Y263-V295 WeakPolarHBondContact CA-O 3.46Å; Y263-V296 HydrophobicContact CD1-CG2 4.09Å; Y263-V296 HydrophobicContact CE1-CG2 3.72Å
264	K	97.1	Very high	92.1	Very high	11 Å²	11	62.1 Å²	62.1	5%	0.048	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.2	164.5	-61.8	-170.6	64.9	162.8	0	110.5	H248 S251 G252 G253 E254 V255 F266 V295 Y297	H248-K264 VanDerWaalsContact O-CD 3.22Å; H248-K264 WeakPolarHBondContact O-CD 3.38Å; H248-K264 WeakPolarHBondContact O-CE 3.34Å; H248-K264 PolarHBondContact O-NZ 2.93Å; S251-K264 PolarHBondContact O-NZ 3.17Å; G252-K264 WeakPolarHBondContact O-CE 3.33Å; G252-K264 PolarHBondContact O-NZ 3.21Å; G253-K264 WeakPolarHBondContact O-CE 3.39Å; E254-K264 VanDerWaalsContact O-CA 3.29Å; E254-K264 WeakPolarHBondContact O-CA 3.49Å; V255-K264 HydrophobicContact CG2-CD 4.14Å; V255-K264 HydrophobicContact CG2-CG 4Å; K264-F266 PolarHBondContact O-N 2.93Å; K264-V295 PolarHBondContact N-O 3.01Å; K264-V295 PolarHBondContact O-N 3.29Å; K264-Y297 HydrophobicContact CD-CD2 3.87Å; K264-Y297 HydrophobicContact CD-CE2 4.23Å; K264-Y297 HydrophobicContact CG-CD2 4.04Å
265	L	96.1	Very high	91.8	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.199	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.9	173.1	-71.2	179	0	0	0	111.1	E254 I256 T292 E294	E254-L265 HydrophobicContact CB-CD1 4.21Å; E254-L265 PolarHBondContact O-N 3.2Å; I256-L265 HydrophobicContact CD1-CD1 4.06Å; I256-L265 HydrophobicContact CD1-CD2 3.6Å; I256-L265 HydrophobicContact CD1-CG 3.61Å; I256-L265 HydrophobicContact CG1-CG 4.46Å; L265-T292 HydrophobicContact CD2-CG2 4.14Å; L265-E294 HydrophobicContact CD2-CG 4.18Å
266	F	97	Very high	91.4	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.5	172.2	177.4	-127.2	0	0	0	109.3	M55 T57 V58 S184 V185 A246 K264 V293 V295	M55-F266 HydrophobicContact CE-CD2 4.32Å; M55-F266 HydrophobicContact CE-CE2 3.37Å; M55-F266 HydrophobicContact CE-CZ 3.7Å; M55-F266 HydrophobicContact SD-CE2 3.73Å; M55-F266 HydrophobicContact SD-CZ 3.91Å; T57-F266 WeakPolarHBondContact OG1-CD2 3.38Å; V58-F266 HydrophobicContact CG2-CD2 4.46Å; V58-F266 HydrophobicContact CG2-CE2 3.89Å; S184-F266 WeakPolarHBondContact OG-CE1 3.4Å; V185-F266 HydrophobicContact CB-CD1 4.47Å; V185-F266 HydrophobicContact CB-CE1 4.11Å; V185-F266 HydrophobicContact CG1-CD1 3.41Å; V185-F266 VanDerWaalsContact CG1-CD1 3.41Å; V185-F266 HydrophobicContact CG1-CE1 3.4Å; V185-F266 VanDerWaalsContact CG1-CE1 3.4Å; V185-F266 HydrophobicContact CG1-CG 4.28Å; V185-F266 HydrophobicContact CG1-CZ 4.27Å; V185-F266 HydrophobicContact CG2-CD1 4.26Å; V185-F266 HydrophobicContact CG2-CE1 3.57Å; V185-F266 HydrophobicContact CG2-CE2 4.3Å; V185-F266 HydrophobicContact CG2-CZ 3.59Å; A246-F266 HydrophobicContact CB-CB 4.03Å; A246-F266 HydrophobicContact CB-CD1 3.94Å; A246-F266 HydrophobicContact CB-CD2 3.45Å; A246-F266 VanDerWaalsContact CB-CD2 3.45Å; A246-F266 HydrophobicContact CB-CE1 4.28Å; A246-F266 HydrophobicContact CB-CE2 3.83Å; A246-F266 HydrophobicContact CB-CG 3.53Å; A246-F266 HydrophobicContact CB-CZ 4.24Å; K264-F266 PolarHBondContact O-N 2.93Å; F266-V293 HydrophobicContact CB-CG2 4.05Å; F266-V293 HydrophobicContact CD1-CG2 3.9Å; F266-V293 HydrophobicContact CG-CG2 4.44Å; F266-V293 PolarHBondContact N-O 3.35Å; F266-V293 WeakPolarHBondContact O-CG2 3.29Å; F266-V293 PolarHBondContact O-N 2.88Å; F266-V295 HydrophobicContact CB-CG2 3.64Å; F266-V295 HydrophobicContact CD1-CG2 4.13Å; F266-V295 HydrophobicContact CG-CG2 4.26Å
267	Y	95.9	Very high	91	Very high	5 Å²	5	65 Å²	65	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.1	-174.3	51.8	-99.5	0	0	0	112.3	M55 D56 T57 T273 A274 R277 K291 T292	M55-Y267 WeakPolarHBondContact CE-O 3.19Å; D56-Y267 WeakPolarHBondContact OD1-CE2 3.4Å; D56-Y267 PolarHBondContact OD1-OH 2.94Å; D56-Y267 WeakPolarHBondContact OD2-CE2 3.46Å; D56-Y267 PolarHBondContact OD2-OH 3.21Å; T57-Y267 HydrophobicContact CG2-CD1 4.21Å; T57-Y267 HydrophobicContact CG2-CE1 3.7Å; T57-Y267 HydrophobicContact CG2-CE2 4.46Å; Y267-T273 HydrophobicContact CD1-CG2 3.69Å; Y267-T273 HydrophobicContact CD2-CG2 4.33Å; Y267-T273 HydrophobicContact CE1-CG2 3.83Å; Y267-T273 HydrophobicContact CE2-CG2 4.46Å; Y267-T273 HydrophobicContact CG-CG2 3.95Å; Y267-A274 HydrophobicContact CD2-CB 3.98Å; Y267-A274 HydrophobicContact CE2-CB 3.98Å; Y267-R277 PolarHBondContact OH-NH1 2.86Å; Y267-K291 VanDerWaalsContact CA-O 3.28Å; Y267-K291 WeakPolarHBondContact CA-O 3.26Å; Y267-T292 WeakPolarHBondContact CB-OG1 3.27Å
268	G	91.8	Very high	90.7	Very high	8 Å²	8	62.1 Å²	62.1	8%	0.082	31%	0.314	C	S	.	.			trans	-70.7	147.7	174.3	0	0	0	0	0	112	S270 S271 K291	G268-S270 PolarHBondContact O-N 3.29Å; G268-S271 WeakPolarHBondContact O-CB 3.31Å; G268-S271 PolarHBondContact O-N 2.64Å; G268-S271 PolarHBondContact O-OG 2.63Å; G268-K291 PolarHBondContact N-O 2.7Å; G268-K291 VanDerWaalsContact N-O 3.13Å
269	M	92.4	Very high	90	Very high	62 Å²	62	60.8 Å²	60.8	31%	0.305	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.2	-179.1	-62	-50.6	-60.8	0	0	113.8	M55 D56 H79 A274	M55-M269 HydrophobicContact CB-CG 4.36Å; M55-M269 HydrophobicContact CB-SD 4.1Å; M55-M269 HydrophobicContact CG-CG 4.24Å; D56-M269 HydrophobicContact CB-CE 4.24Å; D56-M269 HydrophobicContact CB-SD 4.44Å; H79-M269 WeakPolarHBondContact NE2-CE 3.44Å; M269-A274 VanDerWaalsContact O-CB 3.24Å; M269-A274 WeakPolarHBondContact O-CB 3.01Å
270	S	85.8	Confident	89.2	Confident	54 Å²	54	57.3 Å²	57.3	38%	0.378	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	22.1	169.8	-56.4	0	0	0	0	113.3	G268 S288 E289 G290	G268-S270 PolarHBondContact O-N 3.29Å; S270-S288 PolarHBondContact O-OG 2.87Å; S270-E289 PolarHBondContact O-N 3.47Å; S270-G290 PolarHBondContact O-N 3.13Å
271	S	83.2	Confident	88.3	Confident	1 Å²	1	55 Å²	55	1%	0.007	30%	0.299	C	S	.	.	S	Bend	trans	-80.9	157.9	173.4	66.1	0	0	0	0	112.1	G268 T273 A274 M275 S288	G268-S271 WeakPolarHBondContact O-CB 3.31Å; G268-S271 PolarHBondContact O-N 2.64Å; G268-S271 PolarHBondContact O-OG 2.63Å; S271-T273 PolarHBondContact O-N 3.49Å; S271-A274 PolarHBondContact O-N 3.07Å; S271-A274 PolarHBondContact OG-N 3.31Å; S271-A274 VanDerWaalsContact OG-N 3.09Å; S271-M275 WeakPolarHBondContact O-CG 3.38Å; S271-M275 PolarHBondContact O-N 2.79Å; S271-S288 VanDerWaalsContact CA-OG 3.28Å; S271-S288 WeakPolarHBondContact CA-OG 3.33Å
272	D	82.9	Confident	87.2	Confident	71 Å²	71	51.4 Å²	51.4	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-53.4	-38.2	168.7	-68.8	-1.6	0	0	0	111.8	K276 V282 S288	D272-K276 VanDerWaalsContact O-CB 3.28Å; D272-K276 WeakPolarHBondContact O-CB 3.39Å; D272-K276 WeakPolarHBondContact O-CG 3.21Å; D272-K276 PolarHBondContact O-N 3.24Å; D272-V282 HydrophobicContact CB-CG2 4.25Å; D272-V282 WeakPolarHBondContact OD1-CG2 3.3Å; D272-S288 PolarHBondContact N-OG 3.23Å; D272-S288 WeakPolarHBondContact OD1-CB 3.26Å; D272-S288 PolarHBondContact OD1-OG 3.45Å
273	T	84.9	Confident	86.2	Confident	52 Å²	52	48.2 Å²	48.2	32%	0.319	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-50.2	178	-59.7	0	0	0	0	111.1	Y267 S271 R277 T292	Y267-T273 HydrophobicContact CD1-CG2 3.69Å; Y267-T273 HydrophobicContact CD2-CG2 4.33Å; Y267-T273 HydrophobicContact CE1-CG2 3.83Å; Y267-T273 HydrophobicContact CE2-CG2 4.46Å; Y267-T273 HydrophobicContact CG-CG2 3.95Å; S271-T273 PolarHBondContact O-N 3.49Å; T273-R277 WeakPolarHBondContact O-CB 3.26Å; T273-R277 PolarHBondContact O-N 2.93Å; T273-R277 VanDerWaalsContact O-N 3.12Å; T273-T292 PolarHBondContact OG1-OG1 3.2Å
274	A	85.1	Confident	85	Confident	2 Å²	2	55.8 Å²	55.8	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-43.6	178.8	0	0	0	0	0	112.1	Y267 M269 S271 R277 H278	Y267-A274 HydrophobicContact CD2-CB 3.98Å; Y267-A274 HydrophobicContact CE2-CB 3.98Å; M269-A274 VanDerWaalsContact O-CB 3.24Å; M269-A274 WeakPolarHBondContact O-CB 3.01Å; S271-A274 PolarHBondContact O-N 3.07Å; S271-A274 PolarHBondContact OG-N 3.31Å; S271-A274 VanDerWaalsContact OG-N 3.09Å; A274-R277 PolarHBondContact O-N 2.82Å; A274-H278 WeakPolarHBondContact O-CB 3.27Å; A274-H278 PolarHBondContact O-CD2 2.81Å; A274-H278 VanDerWaalsContact O-CD2 3.27Å; A274-H278 PolarHBondContact O-N 3.4Å
275	M	87.1	Confident	83.8	Confident	20 Å²	20	63.8 Å²	63.8	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-39	180	-72.1	-172.6	-79.3	0	0	112.6	S271 R277 A279 G280 G281 V282	S271-M275 WeakPolarHBondContact O-CG 3.38Å; S271-M275 PolarHBondContact O-N 2.79Å; M275-R277 VanDerWaalsContact C-N 3.32Å; M275-R277 PolarHBondContact O-N 3.08Å; M275-A279 CarbonylContact O-C 3.59Å; M275-A279 VanDerWaalsContact O-CA 3.3Å; M275-A279 WeakPolarHBondContact O-CA 3.4Å; M275-A279 WeakPolarHBondContact O-CB 3.37Å; M275-A279 PolarHBondContact O-N 2.94Å; M275-G280 PolarHBondContact O-N 3.04Å; M275-G281 PolarHBondContact O-N 3.21Å; M275-V282 HydrophobicContact CB-CG2 4.35Å; M275-V282 HydrophobicContact CE-CB 4.27Å; M275-V282 HydrophobicContact CE-CG1 3.84Å; M275-V282 HydrophobicContact CE-CG2 3.66Å; M275-V282 HydrophobicContact SD-CG1 4.16Å; M275-V282 HydrophobicContact SD-CG2 4.3Å
276	K	85.4	Confident	82.8	Confident	144 Å²	144	68.7 Å²	68.7	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-62.4	-40.3	172.1	-75.8	173.9	-177	179.1	0	111.9	D272	D272-K276 VanDerWaalsContact O-CB 3.28Å; D272-K276 WeakPolarHBondContact O-CB 3.39Å; D272-K276 WeakPolarHBondContact O-CG 3.21Å; D272-K276 PolarHBondContact O-N 3.24Å
277	R	87	Confident	81.8	Confident	156 Å²	156	71.6 Å²	71.6	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-70.3	-39.6	-178.4	-170.2	174.3	-176	176.1	1.7	113	D56 Y267 T273 A274 M275	D56-R277 IonicContact OD2-NH1 3.85Å; Y267-R277 PolarHBondContact OH-NH1 2.86Å; T273-R277 WeakPolarHBondContact O-CB 3.26Å; T273-R277 PolarHBondContact O-N 2.93Å; T273-R277 VanDerWaalsContact O-N 3.12Å; A274-R277 PolarHBondContact O-N 2.82Å; M275-R277 VanDerWaalsContact C-N 3.32Å; M275-R277 PolarHBondContact O-N 3.08Å
278	H	87.6	Confident	81.4	Confident	73 Å²	73	72.2 Å²	72.2	34%	0.338	40%	0.395	S	S	.	.	H	α-helix	trans	-115.4	-16.5	-166.5	-58.7	-58.1	0	0	0	114.8	D56 H79 A274	D56-H278 IonicContact OD2-CD2 3.39Å; D56-H278 IonicContact OD2-CE1 2.8Å; D56-H278 IonicContact OD2-NE2 3.88Å; D56-H278 PolarHBondContact OD2-NE2 2.73Å; H79-H278 AromaticContact CD2-CE1 3.83Å; H79-H278 AromaticContact CD2-NE2 3.86Å; H79-H278 AromaticContact CE1-CD2 3.58Å; H79-H278 AromaticContact CE1-CE1 3.77Å; H79-H278 AromaticContact CE1-CG 3.4Å; H79-H278 AromaticContact CE1-ND1 3.55Å; H79-H278 AromaticContact CE1-NE2 3.81Å; H79-H278 AromaticContact CG-CE1 3.62Å; H79-H278 AromaticContact CG-ND1 3.84Å; H79-H278 AromaticContact ND1-CE1 3.59Å; H79-H278 AromaticContact ND1-CG 3.69Å; H79-H278 AromaticContact ND1-ND1 3.33Å; H79-H278 PolarHBondContact ND1-ND1 3.46Å; H79-H278 AromaticContact NE2-CD2 3.72Å; H79-H278 AromaticContact NE2-CE1 3.95Å; H79-H278 AromaticContact NE2-NE2 3.69Å; A274-H278 WeakPolarHBondContact O-CB 3.27Å; A274-H278 PolarHBondContact O-CD2 2.81Å; A274-H278 VanDerWaalsContact O-CD2 3.27Å; A274-H278 PolarHBondContact O-N 3.4Å
279	A	77.6	Confident	81.2	Confident	74 Å²	74	74.4 Å²	74.4	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-132.1	11.5	-173.6	0	0	0	0	0	113.8	M275 G281	M275-A279 CarbonylContact O-C 3.59Å; M275-A279 VanDerWaalsContact O-CA 3.3Å; M275-A279 WeakPolarHBondContact O-CA 3.4Å; M275-A279 WeakPolarHBondContact O-CB 3.37Å; M275-A279 PolarHBondContact O-N 2.94Å; A279-G281 PolarHBondContact O-N 2.87Å
280	G	75.9	Confident	81.1	Confident	80 Å²	80	71.9 Å²	71.9	83%	0.825	39%	0.393	S	S	*	.	S	Bend	trans	74.9	4.1	177.7	0	0	0	0	0	115.4	M275	M275-G280 PolarHBondContact O-N 3.04Å
281	G	73.8	Confident	81.3	Confident	22 Å²	22	74 Å²	74	23%	0.227	40%	0.395	C	S	.	.	S	Bend	trans	137.7	-175.5	179.9	0	0	0	0	0	113.2	M275 A279	M275-G281 PolarHBondContact O-N 3.21Å; A279-G281 PolarHBondContact O-N 2.87Å
282	V	71.4	Confident	81.9	Confident	52 Å²	52	76.7 Å²	76.7	32%	0.315	41%	0.411	S	S	.	.			trans	-91.5	117.6	175.3	-170.7	0	0	0	0	108	D272 M275 R286	D272-V282 HydrophobicContact CB-CG2 4.25Å; D272-V282 WeakPolarHBondContact OD1-CG2 3.3Å; M275-V282 HydrophobicContact CB-CG2 4.35Å; M275-V282 HydrophobicContact CE-CB 4.27Å; M275-V282 HydrophobicContact CE-CG1 3.84Å; M275-V282 HydrophobicContact CE-CG2 3.66Å; M275-V282 HydrophobicContact SD-CG1 4.16Å; M275-V282 HydrophobicContact SD-CG2 4.3Å; V282-R286 HydrophobicContact CG1-CB 4.28Å; V282-R286 VanDerWaalsContact CG1-O 3.27Å; V282-R286 WeakPolarHBondContact CG1-O 3.21Å
283	A	74.6	Confident	82.5	Confident	39 Å²	39	75.6 Å²	75.6	32%	0.322	41%	0.407	S	S	.	.			trans	-60.5	143.3	174	0	0	0	0	0	110.4	Y285 R286	A283-Y285 HydrophobicContact CB-CD1 3.93Å; A283-Y285 HydrophobicContact CB-CE1 3.57Å; A283-Y285 PolarHBondContact O-N 3.2Å; A283-R286 HydrophobicContact CB-CG 4.25Å; A283-R286 PolarHBondContact O-N 3.45Å
284	E	71.9	Confident	83	Confident	204 Å²	204	77.4 Å²	77.4	95%	0.953	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.4	-172.8	-66.1	-173	162.3	0	0	114.1
285	Y	72.1	Confident	83.5	Confident	179 Å²	179	78.5 Å²	78.5	70%	0.702	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.8	-180	69.3	-92.2	0	0	0	114.1	A283	A283-Y285 HydrophobicContact CB-CD1 3.93Å; A283-Y285 HydrophobicContact CB-CE1 3.57Å; A283-Y285 PolarHBondContact O-N 3.2Å
286	R	75.7	Confident	83.9	Confident	140 Å²	140	81.2 Å²	81.2	53%	0.528	44%	0.436	S	S	.	.			trans	-104.4	134	-178.3	-68	-171	-179.2	-171	-2	111.1	V282 A283	V282-R286 HydrophobicContact CG1-CB 4.28Å; V282-R286 VanDerWaalsContact CG1-O 3.27Å; V282-R286 WeakPolarHBondContact CG1-O 3.21Å; A283-R286 HydrophobicContact CB-CG 4.25Å; A283-R286 PolarHBondContact O-N 3.45Å
287	A	75.9	Confident	84.5	Confident	65 Å²	65	78.5 Å²	78.5	54%	0.537	42%	0.422	S	S	.	.			trans	-95.5	147.1	165.7	0	0	0	0	0	110.2	E289	A287-E289 PolarHBondContact O-N 2.94Å
288	S	87.1	Confident	85	Confident	18 Å²	18	75.2 Å²	75.2	13%	0.126	41%	0.412	C	S	.	.			trans	-71.6	124.1	173.6	-172.1	0	0	0	0	112.1	T187 K191 S270 S271 D272 G290	T187-S288 PolarHBondContact OG1-O 3.17Å; K191-S288 VanDerWaalsContact CE-O 3.31Å; K191-S288 WeakPolarHBondContact CE-O 3.45Å; K191-S288 WeakPolarHBondContact CG-O 3.41Å; S270-S288 PolarHBondContact O-OG 2.87Å; S271-S288 VanDerWaalsContact CA-OG 3.28Å; S271-S288 WeakPolarHBondContact CA-OG 3.33Å; D272-S288 PolarHBondContact N-OG 3.23Å; D272-S288 WeakPolarHBondContact OD1-CB 3.26Å; D272-S288 PolarHBondContact OD1-OG 3.45Å; S288-G290 PolarHBondContact OG-O 2.98Å; S288-G290 VanDerWaalsContact OG-O 3.06Å
289	E	87.6	Confident	85.5	Confident	55 Å²	55	72.2 Å²	72.2	26%	0.257	40%	0.401	S	S	.	.			trans	-106.5	13.5	177	-68.8	-171.4	-130.8	0	0	112.7	T187 T188 K191 S270 A287	T187-E289 PolarHBondContact N-O 3.11Å; T187-E289 WeakPolarHBondContact OG1-CA 3.43Å; T187-E289 PolarHBondContact OG1-O 3.46Å; T188-E289 VanDerWaalsContact CB-OE2 3.25Å; T188-E289 WeakPolarHBondContact CB-OE2 3.34Å; T188-E289 WeakPolarHBondContact CG2-OE2 3.46Å; T188-E289 PolarHBondContact OG1-OE2 3Å; K191-E289 HydrophobicContact CB-CG 4.49Å; S270-E289 PolarHBondContact O-N 3.47Å; A287-E289 PolarHBondContact O-N 2.94Å
290	G	90	Very high	86.5	Confident	9 Å²	9	71.8 Å²	71.8	9%	0.093	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-130	159.1	171.9	0	0	0	0	0	112.2	V185 T187 S270 S288	V185-G290 CarbonylContact O-C 3.49Å; V185-G290 VanDerWaalsContact O-CA 3.28Å; V185-G290 WeakPolarHBondContact O-CA 3.37Å; T187-G290 PolarHBondContact OG1-N 3.47Å; S270-G290 PolarHBondContact O-N 3.13Å; S288-G290 PolarHBondContact OG-O 2.98Å; S288-G290 VanDerWaalsContact OG-O 3.06Å
291	K	91.4	Very high	87.5	Confident	98 Å²	98	68 Å²	68	43%	0.426	35%	0.353	S	S	.	.			trans	-119.1	164.9	169.5	62.9	177.3	178.7	-178.8	0	110.8	S184 V185 T187 Y267 G268 V293	S184-K291 WeakPolarHBondContact O-CE 3.41Å; S184-K291 PolarHBondContact O-NZ 2.98Å; S184-K291 VanDerWaalsContact O-NZ 3.15Å; V185-K291 HydrophobicContact CB-CG 4.16Å; V185-K291 HydrophobicContact CG1-CG 4.37Å; V185-K291 PolarHBondContact O-N 2.85Å; T187-K291 HydrophobicContact CG2-CB 4.02Å; T187-K291 HydrophobicContact CG2-CD 4.37Å; T187-K291 HydrophobicContact CG2-CG 4.19Å; Y267-K291 VanDerWaalsContact CA-O 3.28Å; Y267-K291 WeakPolarHBondContact CA-O 3.26Å; G268-K291 PolarHBondContact N-O 2.7Å; G268-K291 VanDerWaalsContact N-O 3.13Å; K291-V293 HydrophobicContact CD-CG1 4.22Å; K291-V293 HydrophobicContact CG-CG1 4.37Å
292	T	94.5	Very high	88.7	Confident	57 Å²	57	69.6 Å²	69.6	35%	0.35	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.7	173.1	-57.5	0	0	0	0	109	L265 Y267 T273	L265-T292 HydrophobicContact CD2-CG2 4.14Å; Y267-T292 WeakPolarHBondContact CB-OG1 3.27Å; T273-T292 PolarHBondContact OG1-OG1 3.2Å
293	V	95.3	Very high	90	Very high	48 Å²	48	71.6 Å²	71.6	29%	0.291	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.6	178.8	-59.6	0	0	0	0	110.5	V185 F266 K291 V295	V185-V293 HydrophobicContact CG1-CG1 4.3Å; V185-V293 HydrophobicContact CG1-CG2 3.69Å; F266-V293 HydrophobicContact CB-CG2 4.05Å; F266-V293 HydrophobicContact CD1-CG2 3.9Å; F266-V293 HydrophobicContact CG-CG2 4.44Å; F266-V293 PolarHBondContact N-O 3.35Å; F266-V293 WeakPolarHBondContact O-CG2 3.29Å; F266-V293 PolarHBondContact O-N 2.88Å; K291-V293 HydrophobicContact CD-CG1 4.22Å; K291-V293 HydrophobicContact CG-CG1 4.37Å; V293-V295 HydrophobicContact CG2-CG2 3.97Å
294	E	95.6	Very high	91.1	Very high	90 Å²	90	71.1 Å²	71.1	42%	0.421	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.3	170	-68.6	170.3	-164.7	0	0	107.9	Y263 L265	Y263-E294 HydrophobicContact CD1-CB 4.08Å; Y263-E294 HydrophobicContact CG-CB 4.28Å; L265-E294 HydrophobicContact CD2-CG 4.18Å
295	V	95.8	Very high	92.4	Very high	26 Å²	26	61.5 Å²	61.5	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.2	176.8	-178	0	0	0	0	108.1	Y263 K264 F266 V293 Y297	Y263-V295 CarbonylContact C-O 3.57Å; Y263-V295 WeakPolarHBondContact CA-O 3.46Å; K264-V295 PolarHBondContact N-O 3.01Å; K264-V295 PolarHBondContact O-N 3.29Å; F266-V295 HydrophobicContact CB-CG2 3.64Å; F266-V295 HydrophobicContact CD1-CG2 4.13Å; F266-V295 HydrophobicContact CG-CG2 4.26Å; V293-V295 HydrophobicContact CG2-CG2 3.97Å; V295-Y297 PolarHBondContact O-N 3.3Å
296	V	96.2	Very high	93.6	Very high	77 Å²	77	60.6 Å²	60.6	47%	0.467	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	134.8	174.5	179.2	0	0	0	0	109.3	Y263 K298	Y263-V296 HydrophobicContact CD1-CG2 4.09Å; Y263-V296 HydrophobicContact CE1-CG2 3.72Å; V296-K298 WeakPolarHBondContact O-CG 3.44Å; V296-K298 PolarHBondContact O-N 3.37Å
297	Y	97.6	Very high	94.7	Very high	86 Å²	86	58.6 Å²	58.6	34%	0.337	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-63.6	122.4	178.5	178.5	-106	0	0	0	110.4	G247 S249 K262 K264 V295	G247-Y297 WeakPolarHBondContact O-CA 3.28Å; S249-Y297 PolarHBondContact OG-OH 2.97Å; K262-Y297 HydrophobicContact CB-CD1 4.45Å; K262-Y297 HydrophobicContact CB-CG 4.2Å; K262-Y297 VanDerWaalsContact O-CB 3.3Å; K262-Y297 WeakPolarHBondContact O-CB 3.41Å; K262-Y297 PolarHBondContact O-N 3.01Å; K264-Y297 HydrophobicContact CD-CD2 3.87Å; K264-Y297 HydrophobicContact CD-CE2 4.23Å; K264-Y297 HydrophobicContact CG-CD2 4.04Å; V295-Y297 PolarHBondContact O-N 3.3Å
298	K	97.3	Very high	95.8	Very high	87 Å²	87	55.6 Å²	55.6	38%	0.378	29%	0.287	S	S	.	.			trans	-97.6	-5	-172.2	-62	176.4	-176.6	164	0	113.6	G243 M244 A246 G247 H248 V296	G243-K298 PolarHBondContact O-NZ 3.31Å; M244-K298 PolarHBondContact O-NZ 3.4Å; A246-K298 WeakPolarHBondContact O-CE 3.4Å; A246-K298 PolarHBondContact O-NZ 2.95Å; G247-K298 PolarHBondContact O-N 3.48Å; H248-K298 VanDerWaalsContact CD2-CB 3.45Å; H248-K298 WeakPolarHBondContact CD2-CB 3.49Å; H248-K298 VanDerWaalsContact CE1-CD 3.45Å; H248-K298 WeakPolarHBondContact CE1-CD 3.35Å; H248-K298 WeakPolarHBondContact NE2-CB 3.43Å; H248-K298 WeakPolarHBondContact NE2-CD 3.28Å; V296-K298 WeakPolarHBondContact O-CG 3.44Å; V296-K298 PolarHBondContact O-N 3.37Å
299	G	97.8	Very high	96.4	Very high	10 Å²	10	55 Å²	55	10%	0.103	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	74.1	-155.8	-171	0	0	0	0	0	112.4	H248 S249	H248-G299 CarbonylContact C-O 3.52Å; H248-G299 WeakPolarHBondContact CA-O 3.15Å; H248-G299 VanDerWaalsContact CB-O 3.25Å; H248-G299 WeakPolarHBondContact CB-O 3.17Å; H248-G299 PolarHBondContact CD2-O 2.89Å; S249-G299 PolarHBondContact N-O 3.06Å; S249-G299 PolarHBondContact OG-O 3.42Å
300	P	98.3	Very high	96.9	Very high	65 Å²	65	53.7 Å²	53.7	42%	0.422	28%	0.284	S	S	.	.			trans	-60.8	142.2	179.6	-23.1	34.8	0	0	0	113.2	D302	P300-D302 VanDerWaalsContact C-N 3.26Å; P300-D302 WeakPolarHBondContact CB-OD1 3.5Å; P300-D302 PolarHBondContact O-N 2.88Å
301	V	98.7	Very high	97.3	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-70.4	-20	-176.2	74.1	0	0	0	0	114	M63 A66 L67 L245 H248 E250 V303 T304 I305	M63-V301 HydrophobicContact CE-CB 4.46Å; M63-V301 HydrophobicContact CE-CG2 4.12Å; M63-V301 HydrophobicContact SD-CB 4.22Å; M63-V301 HydrophobicContact SD-CG1 3.98Å; M63-V301 HydrophobicContact SD-CG2 3.79Å; A66-V301 HydrophobicContact CB-CG1 3.56Å; L67-V301 HydrophobicContact CD1-CG1 4.17Å; L245-V301 HydrophobicContact CD2-CG2 3.96Å; H248-V301 HydrophobicContact CB-CB 3.91Å; H248-V301 HydrophobicContact CB-CG2 4.37Å; H248-V301 VanDerWaalsContact CD2-CA 3.44Å; H248-V301 WeakPolarHBondContact CD2-CA 3.4Å; E250-V301 HydrophobicContact CB-CG1 4.44Å; E250-V301 HydrophobicContact CG-CG1 4.16Å; E250-V301 PolarHBondContact OE1-N 3.42Å; E250-V301 WeakPolarHBondContact OE2-CB 3.2Å; E250-V301 PolarHBondContact OE2-N 3.31Å; V301-V303 PolarHBondContact O-N 3.42Å; V301-T304 WeakPolarHBondContact O-CB 3.19Å; V301-T304 PolarHBondContact O-N 2.96Å; V301-I305 HydrophobicContact CG2-CD1 4.37Å; V301-I305 HydrophobicContact CG2-CG1 4.21Å; V301-I305 WeakPolarHBondContact O-CG1 3.25Å; V301-I305 PolarHBondContact O-N 3.46Å
302	D	98.3	Very high	97.7	Very high	55 Å²	55	49.7 Å²	49.7	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-34.8	-176.7	73.5	-28	0	0	0	113.2	F70 P300 I305 R306	F70-D302 HydrophobicContact CE2-CB 3.97Å; F70-D302 HydrophobicContact CZ-CB 3.95Å; P300-D302 VanDerWaalsContact C-N 3.26Å; P300-D302 WeakPolarHBondContact CB-OD1 3.5Å; P300-D302 PolarHBondContact O-N 2.88Å; D302-I305 PolarHBondContact O-N 3.17Å; D302-R306 WeakPolarHBondContact O-CB 3.21Å; D302-R306 VanDerWaalsContact O-CG 3.28Å; D302-R306 WeakPolarHBondContact O-CG 3.45Å; D302-R306 PolarHBondContact O-N 3.09Å
303	V	97.9	Very high	97.9	Very high	95 Å²	95	50.5 Å²	50.5	58%	0.576	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-48.9	174.4	-177.6	0	0	0	0	110.4	V301 R306 D307	V301-V303 PolarHBondContact O-N 3.42Å; V303-R306 PolarHBondContact O-N 3.49Å; V303-D307 PolarHBondContact O-N 3.07Å
304	T	98.6	Very high	98.1	Very high	28 Å²	28	49.6 Å²	49.6	17%	0.172	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-40.9	178.3	-64.9	0	0	0	0	111.6	L245 H248 V301 R306 D307 V308	L245-T304 HydrophobicContact CD2-CG2 4.46Å; H248-T304 PolarHBondContact CE1-OG1 3.07Å; H248-T304 WeakPolarHBondContact NE2-CB 3.29Å; H248-T304 PolarHBondContact NE2-OG1 2.84Å; V301-T304 WeakPolarHBondContact O-CB 3.19Å; V301-T304 PolarHBondContact O-N 2.96Å; T304-R306 PolarHBondContact O-N 3.44Å; T304-D307 PolarHBondContact O-N 3.43Å; T304-V308 WeakPolarHBondContact O-CG2 3.4Å; T304-V308 PolarHBondContact O-N 3.28Å
305	I	98.6	Very high	98.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-44.9	175.9	-62.3	-50.7	0	0	0	110.7	L67 F70 L72 L245 V301 D302 D307 V308 L309	L67-I305 HydrophobicContact CD1-CD1 4.08Å; L67-I305 HydrophobicContact CD1-CG1 4.1Å; L67-I305 HydrophobicContact CG-CD1 4.43Å; F70-I305 HydrophobicContact CB-CG2 4.11Å; F70-I305 HydrophobicContact CD1-CG2 3.97Å; F70-I305 HydrophobicContact CD2-CB 4.44Å; F70-I305 HydrophobicContact CD2-CG2 3.89Å; F70-I305 HydrophobicContact CE1-CG2 4.35Å; F70-I305 HydrophobicContact CE2-CB 4.42Å; F70-I305 HydrophobicContact CE2-CG2 4.28Å; F70-I305 HydrophobicContact CG-CG2 3.73Å; F70-I305 HydrophobicContact CZ-CG2 4.49Å; L72-I305 HydrophobicContact CD1-CG2 4.36Å; L72-I305 HydrophobicContact CD2-CD1 3.9Å; L72-I305 HydrophobicContact CD2-CG2 4.04Å; L245-I305 HydrophobicContact CD2-CD1 3.63Å; V301-I305 HydrophobicContact CG2-CD1 4.37Å; V301-I305 HydrophobicContact CG2-CG1 4.21Å; V301-I305 WeakPolarHBondContact O-CG1 3.25Å; V301-I305 PolarHBondContact O-N 3.46Å; D302-I305 PolarHBondContact O-N 3.17Å; I305-D307 VanDerWaalsContact C-N 3.3Å; I305-D307 PolarHBondContact O-N 2.91Å; I305-V308 PolarHBondContact O-N 2.96Å; I305-L309 HydrophobicContact CG2-CD1 3.77Å; I305-L309 HydrophobicContact CG2-CG 4.05Å; I305-L309 WeakPolarHBondContact O-CB 3.49Å; I305-L309 VanDerWaalsContact O-CG 3.23Å; I305-L309 WeakPolarHBondContact O-CG 3.25Å; I305-L309 PolarHBondContact O-N 3.36Å
306	R	98.6	Very high	98.4	Very high	161 Å²	161	45.1 Å²	45.1	61%	0.608	24%	0.241	S	C	*	.	H	α-helix	trans	-61	-39.4	177.1	-72.7	175.6	-169.4	-156.6	6.7	112.2	F70 D302 V303 T304 G310	F70-R306 HydrophobicContact CE1-CG 3.95Å; F70-R306 HydrophobicContact CZ-CG 4.24Å; D302-R306 WeakPolarHBondContact O-CB 3.21Å; D302-R306 VanDerWaalsContact O-CG 3.28Å; D302-R306 WeakPolarHBondContact O-CG 3.45Å; D302-R306 PolarHBondContact O-N 3.09Å; V303-R306 PolarHBondContact O-N 3.49Å; T304-R306 PolarHBondContact O-N 3.44Å; R306-G310 WeakPolarHBondContact O-CA 3.41Å; R306-G310 PolarHBondContact O-N 3.38Å
307	D	98.7	Very high	98.5	Very high	98 Å²	98	42.7 Å²	42.7	52%	0.524	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-50	175.2	-178.8	59.9	0	0	0	111.7	P225 V303 T304 I305 L309 G310 G311	P225-D307 WeakPolarHBondContact CG-OD2 3.18Å; V303-D307 PolarHBondContact O-N 3.07Å; T304-D307 PolarHBondContact O-N 3.43Å; I305-D307 VanDerWaalsContact C-N 3.3Å; I305-D307 PolarHBondContact O-N 2.91Å; D307-L309 PolarHBondContact O-N 3.45Å; D307-G310 PolarHBondContact O-N 2.74Å; D307-G311 PolarHBondContact O-N 2.88Å
308	V	98.8	Very high	98.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-51.1	177	172.8	0	0	0	0	111.4	I50 P225 V228 M244 T304 I305 G310 G311 V312	I50-V308 HydrophobicContact CD1-CG1 3.78Å; P225-V308 HydrophobicContact CG-CG2 4.25Å; V228-V308 HydrophobicContact CG1-CG1 4.33Å; V228-V308 HydrophobicContact CG2-CG1 4.26Å; M244-V308 HydrophobicContact CE-CG2 3.53Å; T304-V308 WeakPolarHBondContact O-CG2 3.4Å; T304-V308 PolarHBondContact O-N 3.28Å; I305-V308 PolarHBondContact O-N 2.96Å; V308-G310 VanDerWaalsContact C-N 3.32Å; V308-G310 PolarHBondContact O-N 2.91Å; V308-G311 PolarHBondContact O-N 2.76Å; V308-V312 WeakPolarHBondContact O-CG2 3.27Å; V308-V312 PolarHBondContact O-N 3.02Å
309	L	98.9	Very high	98.6	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-35.6	179.9	-60.8	-177.3	0	0	0	111.8	L32 I48 I50 F70 L72 I305 D307 R313	L32-L309 HydrophobicContact CD1-CB 3.92Å; L32-L309 HydrophobicContact CD1-CD2 3.74Å; L32-L309 HydrophobicContact CD1-CG 4.33Å; I48-L309 HydrophobicContact CD1-CD1 4.02Å; I48-L309 HydrophobicContact CD1-CD2 4.17Å; I48-L309 HydrophobicContact CG2-CD2 3.79Å; I50-L309 HydrophobicContact CD1-CD2 3.8Å; F70-L309 HydrophobicContact CB-CD1 4.5Å; F70-L309 HydrophobicContact CD1-CD1 4.22Å; L72-L309 HydrophobicContact CD1-CD1 4.2Å; L72-L309 HydrophobicContact CD1-CD2 4.32Å; I305-L309 HydrophobicContact CG2-CD1 3.77Å; I305-L309 HydrophobicContact CG2-CG 4.05Å; I305-L309 WeakPolarHBondContact O-CB 3.49Å; I305-L309 VanDerWaalsContact O-CG 3.23Å; I305-L309 WeakPolarHBondContact O-CG 3.25Å; I305-L309 PolarHBondContact O-N 3.36Å; D307-L309 PolarHBondContact O-N 3.45Å; L309-R313 VanDerWaalsContact O-CG 3.32Å; L309-R313 WeakPolarHBondContact O-CG 3.4Å; L309-R313 PolarHBondContact O-N 3.03Å
310	G	98.8	Very high	98.7	Very high	28 Å²	28	41.6 Å²	41.6	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-44.3	173.7	0	0	0	0	0	112.1	R306 D307 V308 R313 S314	R306-G310 WeakPolarHBondContact O-CA 3.41Å; R306-G310 PolarHBondContact O-N 3.38Å; D307-G310 PolarHBondContact O-N 2.74Å; V308-G310 VanDerWaalsContact C-N 3.32Å; V308-G310 PolarHBondContact O-N 2.91Å; G310-R313 PolarHBondContact O-N 2.66Å; G310-S314 WeakPolarHBondContact O-CB 3.41Å; G310-S314 PolarHBondContact O-N 3.49Å
311	G	98.8	Very high	98.7	Very high	20 Å²	20	38.5 Å²	38.5	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-48.1	174.6	0	0	0	0	0	112.3	D307 V308 R313 S314 T315	D307-G311 PolarHBondContact O-N 2.88Å; V308-G311 PolarHBondContact O-N 2.76Å; G311-R313 PolarHBondContact O-N 2.89Å; G311-S314 VanDerWaalsContact O-CB 3.28Å; G311-S314 WeakPolarHBondContact O-CB 3.29Å; G311-S314 PolarHBondContact O-N 2.8Å; G311-T315 PolarHBondContact O-N 2.96Å; G311-T315 PolarHBondContact O-OG1 2.74Å
312	V	98.9	Very high	98.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-44.1	177.7	178.5	0	0	0	0	111.5	L32 V228 V308 S314 T315 C316 L324	L32-V312 HydrophobicContact CD2-CB 4.38Å; L32-V312 HydrophobicContact CD2-CG1 3.68Å; V228-V312 HydrophobicContact CB-CG2 4.42Å; V228-V312 HydrophobicContact CG1-CG2 3.98Å; V308-V312 WeakPolarHBondContact O-CG2 3.27Å; V308-V312 PolarHBondContact O-N 3.02Å; V312-S314 VanDerWaalsContact C-N 3.29Å; V312-S314 PolarHBondContact O-N 3.14Å; V312-T315 PolarHBondContact O-N 2.96Å; V312-C316 PolarHBondContact O-N 3.41Å; V312-C316 PolarHBondContact O-SG 2.82Å; V312-C316 VanDerWaalsContact O-SG 3.4Å; V312-L324 HydrophobicContact CG1-CD1 3.94Å
313	R	98.9	Very high	98.7	Very high	74 Å²	74	42.1 Å²	42.1	28%	0.279	22%	0.218	S	C	.	.	H	α-helix	trans	-60.1	-40.5	174.2	-70.2	-174.5	-169.9	97.1	-4.6	111.8	R27 V30 L32 L309 G310 G311 C316 T317	R27-R313 HydrophobicContact CB-CB 4.13Å; R27-R313 VanDerWaalsContact O-CD 3.32Å; R27-R313 WeakPolarHBondContact O-CD 3.47Å; V30-R313 HydrophobicContact CB-CB 4.22Å; V30-R313 HydrophobicContact CB-CG 3.99Å; V30-R313 HydrophobicContact CG1-CB 4.49Å; V30-R313 HydrophobicContact CG1-CG 4.15Å; L32-R313 HydrophobicContact CD1-CG 3.82Å; L32-R313 HydrophobicContact CD2-CG 3.93Å; L32-R313 HydrophobicContact CG-CG 3.84Å; L309-R313 VanDerWaalsContact O-CG 3.32Å; L309-R313 WeakPolarHBondContact O-CG 3.4Å; L309-R313 PolarHBondContact O-N 3.03Å; G310-R313 PolarHBondContact O-N 2.66Å; G311-R313 PolarHBondContact O-N 2.89Å; R313-C316 WeakPolarHBondContact O-CB 3.23Å; R313-C316 PolarHBondContact O-N 3.3Å; R313-T317 PolarHBondContact O-N 3.18Å
314	S	98.8	Very high	98.7	Very high	29 Å²	29	37.7 Å²	37.7	20%	0.203	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-51.6	174.5	-163.8	0	0	0	0	111	G310 G311 V312 C316 T317 Y318	G310-S314 WeakPolarHBondContact O-CB 3.41Å; G310-S314 PolarHBondContact O-N 3.49Å; G311-S314 VanDerWaalsContact O-CB 3.28Å; G311-S314 WeakPolarHBondContact O-CB 3.29Å; G311-S314 PolarHBondContact O-N 2.8Å; V312-S314 VanDerWaalsContact C-N 3.29Å; V312-S314 PolarHBondContact O-N 3.14Å; S314-C316 VanDerWaalsContact C-N 3.32Å; S314-C316 PolarHBondContact O-N 3.37Å; S314-T317 PolarHBondContact O-N 3.27Å; S314-T317 VanDerWaalsContact O-N 3.09Å; S314-T317 PolarHBondContact O-OG1 3.49Å; S314-Y318 VanDerWaalsContact O-CD2 3.32Å; S314-Y318 WeakPolarHBondContact O-CD2 3.31Å; S314-Y318 PolarHBondContact O-N 2.9Å; S314-Y318 VanDerWaalsContact O-N 3.1Å
315	T	98.9	Very high	98.7	Very high	22 Å²	22	43.1 Å²	43.1	14%	0.135	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-46.8	176.7	-54.9	0	0	0	0	111.9	L17 S229 G311 V312 T317 Y318 V319 L327	L17-T315 HydrophobicContact CD1-CG2 4.3Å; L17-T315 HydrophobicContact CD2-CG2 3.81Å; S229-T315 WeakPolarHBondContact CB-OG1 3.28Å; S229-T315 PolarHBondContact OG-OG1 2.95Å; G311-T315 PolarHBondContact O-N 2.96Å; G311-T315 PolarHBondContact O-OG1 2.74Å; V312-T315 PolarHBondContact O-N 2.96Å; T315-T317 VanDerWaalsContact C-N 3.31Å; T315-T317 PolarHBondContact O-N 3.09Å; T315-Y318 PolarHBondContact O-N 3.44Å; T315-Y318 VanDerWaalsContact O-N 3.09Å; T315-V319 PolarHBondContact O-N 2.92Å; T315-V319 VanDerWaalsContact O-N 3.09Å; T315-L327 HydrophobicContact CG2-CD1 4.21Å
316	C	98.9	Very high	98.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-54.8	-44.3	176.4	-76.6	0	0	0	0	112.2	V30 V312 R313 S314 Y318 V319 G320 A321	V30-C316 HydrophobicContact CB-CB 4.38Å; V30-C316 HydrophobicContact CG1-CB 3.56Å; V30-C316 HydrophobicContact CG2-CB 3.89Å; V312-C316 PolarHBondContact O-N 3.41Å; V312-C316 PolarHBondContact O-SG 2.82Å; V312-C316 VanDerWaalsContact O-SG 3.4Å; R313-C316 WeakPolarHBondContact O-CB 3.23Å; R313-C316 PolarHBondContact O-N 3.3Å; S314-C316 VanDerWaalsContact C-N 3.32Å; S314-C316 PolarHBondContact O-N 3.37Å; C316-Y318 PolarHBondContact O-N 3.08Å; C316-V319 PolarHBondContact O-N 3.34Å; C316-G320 PolarHBondContact O-N 2.84Å; C316-A321 HydrophobicContact CB-CB 4.13Å; C316-A321 WeakPolarHBondContact CB-O 3.25Å; C316-A321 PolarHBondContact O-N 3.19Å
317	T	98.8	Very high	98.7	Very high	26 Å²	26	37.9 Å²	37.9	16%	0.16	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-40.4	175.6	59.4	0	0	0	0	113.2	S22 L24 R27 V30 R313 S314 T315 V319 G320	S22-T317 WeakPolarHBondContact CB-O 3.38Å; S22-T317 PolarHBondContact OG-O 2.78Å; S22-T317 VanDerWaalsContact OG-O 3.07Å; L24-T317 HydrophobicContact CB-CG2 4.32Å; L24-T317 HydrophobicContact CD1-CG2 4.24Å; R27-T317 HydrophobicContact CB-CG2 4.38Å; R27-T317 HydrophobicContact CG-CG2 3.86Å; V30-T317 HydrophobicContact CG2-CG2 3.82Å; R313-T317 PolarHBondContact O-N 3.18Å; S314-T317 PolarHBondContact O-N 3.27Å; S314-T317 VanDerWaalsContact O-N 3.09Å; S314-T317 PolarHBondContact O-OG1 3.49Å; T315-T317 VanDerWaalsContact C-N 3.31Å; T315-T317 PolarHBondContact O-N 3.09Å; T317-V319 VanDerWaalsContact C-N 3.33Å; T317-V319 PolarHBondContact O-N 3.27Å; T317-G320 PolarHBondContact O-N 3.32Å
318	Y	98.8	Very high	98.7	Very high	151 Å²	151	35.3 Å²	35.3	59%	0.592	19%	0.185	S	C	*	.	H	α-helix	trans	-66	-31.4	179	-82.7	-65.3	0	0	0	113.8	P19 K20 S314 T315 C316	P19-Y318 CarbonylContact C-O 3.59Å; P19-Y318 VanDerWaalsContact CA-O 3.27Å; P19-Y318 WeakPolarHBondContact CA-O 3.44Å; P19-Y318 HydrophobicContact CB-CD1 4.46Å; K20-Y318 PolarHBondContact N-O 3.35Å; S314-Y318 VanDerWaalsContact O-CD2 3.32Å; S314-Y318 WeakPolarHBondContact O-CD2 3.31Å; S314-Y318 PolarHBondContact O-N 2.9Å; S314-Y318 VanDerWaalsContact O-N 3.1Å; T315-Y318 PolarHBondContact O-N 3.44Å; T315-Y318 VanDerWaalsContact O-N 3.09Å; C316-Y318 PolarHBondContact O-N 3.08Å
319	V	98.7	Very high	98.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-97.9	-2	178.4	-53.5	0	0	0	0	113.2	L17 T315 C316 T317 A321 L327 R330	L17-V319 HydrophobicContact CB-CG1 4.42Å; L17-V319 HydrophobicContact CD2-CG1 4.49Å; T315-V319 PolarHBondContact O-N 2.92Å; T315-V319 VanDerWaalsContact O-N 3.09Å; C316-V319 PolarHBondContact O-N 3.34Å; T317-V319 VanDerWaalsContact C-N 3.33Å; T317-V319 PolarHBondContact O-N 3.27Å; V319-A321 HydrophobicContact CG2-CB 3.93Å; V319-L327 HydrophobicContact CG2-CD1 3.64Å; V319-R330 HydrophobicContact CB-CB 4.39Å; V319-R330 HydrophobicContact CG2-CB 4.23Å
320	G	98.4	Very high	98.7	Very high	8 Å²	8	50.2 Å²	50.2	8%	0.082	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	30.4	-179.3	0	0	0	0	0	115	S22 C316 T317 R330	S22-G320 WeakPolarHBondContact OG-CA 3.44Å; C316-G320 PolarHBondContact O-N 2.84Å; T317-G320 PolarHBondContact O-N 3.32Å; G320-R330 VanDerWaalsContact O-CD 3.3Å; G320-R330 WeakPolarHBondContact O-CD 3.32Å; G320-R330 PolarHBondContact O-NE 2.86Å; G320-R330 PolarHBondContact O-NH1 3.33Å
321	A	98.6	Very high	98.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.232	C	C	.	.			trans	-92.3	108.4	176.1	0	0	0	0	0	110.9	L24 C316 V319 K323 E326	L24-A321 WeakPolarHBondContact CD1-O 3.48Å; C316-A321 HydrophobicContact CB-CB 4.13Å; C316-A321 WeakPolarHBondContact CB-O 3.25Å; C316-A321 PolarHBondContact O-N 3.19Å; V319-A321 HydrophobicContact CG2-CB 3.93Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 3.46Å; A321-E326 HydrophobicContact CB-CB 3.99Å
322	G	98.4	Very high	98.7	Very high	19 Å²	19	51.5 Å²	51.5	20%	0.196	24%	0.239	C	C	.	.	S	Bend	trans	-73.7	-20.3	176	0	0	0	0	0	113.3	V30 D31	V30-G322 WeakPolarHBondContact CA-O 3.43Å; D31-G322 PolarHBondContact N-O 2.98Å
323	K	98.8	Very high	98.7	Very high	112 Å²	112	54 Å²	54	49%	0.487	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-133.1	145.9	177.4	-54	-174.2	176.3	178.8	0	109.6	D31 A321 K325 E326	D31-K323 HydrophobicContact CB-CG 4.17Å; D31-K323 CarbonylContact O-C 3.52Å; D31-K323 VanDerWaalsContact O-CA 3.29Å; D31-K323 WeakPolarHBondContact O-CA 3.45Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 3.46Å; K323-K325 PolarHBondContact O-N 2.95Å; K323-K325 VanDerWaalsContact O-N 3.1Å; K323-E326 HydrophobicContact CB-CG 4.48Å; K323-E326 WeakPolarHBondContact O-CB 3.48Å; K323-E326 PolarHBondContact O-N 3.04Å
324	L	98.7	Very high	98.6	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-56.2	-30.7	176.7	-177.1	60.9	0	0	0	112.4	D31 L32 R34 P49 F232 V312 E326 L327	D31-L324 PolarHBondContact O-N 3.26Å; L32-L324 HydrophobicContact CD2-CB 4.38Å; L32-L324 WeakPolarHBondContact O-CD2 3.34Å; R34-L324 HydrophobicContact CG-CD2 4.14Å; R34-L324 HydrophobicContact CG-CG 4.43Å; P49-L324 HydrophobicContact CG-CD2 3.9Å; F232-L324 HydrophobicContact CB-CD1 4.2Å; F232-L324 HydrophobicContact CD1-CD2 4.44Å; F232-L324 HydrophobicContact CD2-CD1 4.04Å; F232-L324 HydrophobicContact CD2-CD2 4.47Å; F232-L324 HydrophobicContact CE1-CD2 4.25Å; F232-L324 HydrophobicContact CE2-CD2 4.26Å; F232-L324 HydrophobicContact CG-CD1 4.03Å; F232-L324 HydrophobicContact CZ-CD2 4.16Å; V312-L324 HydrophobicContact CG1-CD1 3.94Å; L324-E326 PolarHBondContact O-N 3.27Å; L324-E326 VanDerWaalsContact O-N 3.09Å; L324-L327 HydrophobicContact CD1-CB 4.11Å; L324-L327 HydrophobicContact CD1-CD2 3.61Å; L324-L327 VanDerWaalsContact O-CB 3.3Å; L324-L327 WeakPolarHBondContact O-CB 3.47Å; L324-L327 PolarHBondContact O-N 2.96Å
325	K	98.3	Very high	98.6	Very high	143 Å²	143	61.2 Å²	61.2	62%	0.622	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-54.7	-26	173.4	-176.8	175.3	178.6	174.9	0	113.6	K323	K323-K325 PolarHBondContact O-N 2.95Å; K323-K325 VanDerWaalsContact O-N 3.1Å
326	E	98.7	Very high	98.6	Very high	53 Å²	53	62 Å²	62	25%	0.248	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-91	-12.3	-178.5	-58.9	174	-149.2	0	0	113.2	A321 K323 L324 S328 R329 R330	A321-E326 HydrophobicContact CB-CB 3.99Å; K323-E326 HydrophobicContact CB-CG 4.48Å; K323-E326 WeakPolarHBondContact O-CB 3.48Å; K323-E326 PolarHBondContact O-N 3.04Å; L324-E326 PolarHBondContact O-N 3.27Å; L324-E326 VanDerWaalsContact O-N 3.09Å; E326-S328 PolarHBondContact O-N 3.48Å; E326-R329 PolarHBondContact O-N 2.9Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 WeakPolarHBondContact O-CG 3.29Å; E326-R330 PolarHBondContact O-N 3.28Å; E326-R330 IonicContact OE2-CZ 2.7Å; E326-R330 VanDerWaalsContact OE2-CZ 3.31Å; E326-R330 IonicContact OE2-NE 2.93Å; E326-R330 PolarHBondContact OE2-NE 2.71Å; E326-R330 IonicContact OE2-NH2 2.88Å; E326-R330 PolarHBondContact OE2-NH2 3.39Å
327	L	98.8	Very high	98.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-50.7	-169.4	178.3	53.8	0	0	0	112	L17 F232 T315 V319 L324 R330 T331	L17-L327 HydrophobicContact CD2-CD1 4.45Å; F232-L327 HydrophobicContact CB-CD2 3.67Å; F232-L327 HydrophobicContact CB-CG 4.48Å; T315-L327 HydrophobicContact CG2-CD1 4.21Å; V319-L327 HydrophobicContact CG2-CD1 3.64Å; L324-L327 HydrophobicContact CD1-CB 4.11Å; L324-L327 HydrophobicContact CD1-CD2 3.61Å; L324-L327 VanDerWaalsContact O-CB 3.3Å; L324-L327 WeakPolarHBondContact O-CB 3.47Å; L324-L327 PolarHBondContact O-N 2.96Å; L327-R330 CarbonylContact O-C 3.51Å; L327-R330 PolarHBondContact O-N 3.2Å; L327-T331 WeakPolarHBondContact O-CB 3.44Å; L327-T331 PolarHBondContact O-N 3.01Å; L327-T331 PolarHBondContact O-OG1 3.43Å
328	S	98.3	Very high	98.1	Very high	44 Å²	44	74.3 Å²	74.3	31%	0.308	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-47.9	178.6	57.6	0	0	0	0	112.1	G233 E326 R330 T331	G233-S328 WeakPolarHBondContact O-CA 3.48Å; E326-S328 PolarHBondContact O-N 3.48Å; S328-R330 PolarHBondContact O-N 2.83Å; S328-R330 VanDerWaalsContact O-N 3.12Å; S328-T331 WeakPolarHBondContact O-CB 3.46Å; S328-T331 PolarHBondContact O-N 3.08Å
329	R	98.1	Very high	97.8	Very high	221 Å²	221	69.4 Å²	69.4	83%	0.834	33%	0.33	S	S	*	.	H	α-helix	trans	-58.7	-28.8	177.7	-64.6	-176	67.6	179.4	2.1	113.6	E326	E326-R329 PolarHBondContact O-N 2.9Å
330	R	98.6	Very high	97.4	Very high	98 Å²	98	75 Å²	75	37%	0.37	36%	0.359	S	S	.	.	H	α-helix	trans	-97.2	-5.4	178.6	-66.4	175.5	-176.2	-88.3	6.2	112.8	K20 V319 G320 E326 L327 S328	K20-R330 WeakPolarHBondContact CD-O 3.47Å; K20-R330 WeakPolarHBondContact CE-O 3.35Å; K20-R330 PolarHBondContact NZ-O 2.9Å; V319-R330 HydrophobicContact CB-CB 4.39Å; V319-R330 HydrophobicContact CG2-CB 4.23Å; G320-R330 VanDerWaalsContact O-CD 3.3Å; G320-R330 WeakPolarHBondContact O-CD 3.32Å; G320-R330 PolarHBondContact O-NE 2.86Å; G320-R330 PolarHBondContact O-NH1 3.33Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 WeakPolarHBondContact O-CG 3.29Å; E326-R330 PolarHBondContact O-N 3.28Å; E326-R330 IonicContact OE2-CZ 2.7Å; E326-R330 VanDerWaalsContact OE2-CZ 3.31Å; E326-R330 IonicContact OE2-NE 2.93Å; E326-R330 PolarHBondContact OE2-NE 2.71Å; E326-R330 IonicContact OE2-NH2 2.88Å; E326-R330 PolarHBondContact OE2-NH2 3.39Å; L327-R330 CarbonylContact O-C 3.51Å; L327-R330 PolarHBondContact O-N 3.2Å; S328-R330 PolarHBondContact O-N 2.83Å; S328-R330 VanDerWaalsContact O-N 3.12Å
331	T	98.8	Very high	96.9	Very high	19 Å²	19	81.1 Å²	81.1	12%	0.117	39%	0.39	C	S	.	.			trans	-73.9	141.6	-179.9	-69.7	0	0	0	0	110.8	L17 G233 L327 S328 F333	L17-T331 HydrophobicContact CD2-CG2 3.94Å; L17-T331 HydrophobicContact CG-CG2 4.42Å; G233-T331 VanDerWaalsContact CA-OG1 3.28Å; G233-T331 WeakPolarHBondContact CA-OG1 3.14Å; G233-T331 WeakPolarHBondContact O-CB 3.37Å; L327-T331 WeakPolarHBondContact O-CB 3.44Å; L327-T331 PolarHBondContact O-N 3.01Å; L327-T331 PolarHBondContact O-OG1 3.43Å; S328-T331 WeakPolarHBondContact O-CB 3.46Å; S328-T331 PolarHBondContact O-N 3.08Å; T331-F333 HydrophobicContact CG2-CD1 4.13Å; T331-F333 HydrophobicContact CG2-CD2 4.03Å; T331-F333 HydrophobicContact CG2-CE1 3.83Å; T331-F333 HydrophobicContact CG2-CE2 3.72Å; T331-F333 HydrophobicContact CG2-CG 4.22Å; T331-F333 HydrophobicContact CG2-CZ 3.62Å
332	T	98.8	Very high	96.4	Very high	56 Å²	56	84.3 Å²	84.3	34%	0.344	41%	0.409	S	S	.	.			trans	-142.2	114.4	165.6	-60.6	0	0	0	0	105.8	R18 K20	R18-T332 HydrophobicContact CB-CG2 4.49Å; R18-T332 WeakPolarHBondContact CB-O 3.14Å; R18-T332 PolarHBondContact N-O 2.84Å; K20-T332 WeakPolarHBondContact CE-OG1 3.32Å; K20-T332 PolarHBondContact NZ-OG1 3.23Å
333	F	98.8	Very high	96	Very high	56 Å²	56	88.4 Å²	88.4	25%	0.246	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.8	179.9	-69.3	-62.3	0	0	0	111.2	V15 L16 L17 L199 K230 A234 T331	V15-F333 HydrophobicContact CB-CB 4.09Å; V15-F333 HydrophobicContact CB-CD1 3.89Å; V15-F333 HydrophobicContact CB-CG 4.24Å; V15-F333 HydrophobicContact CG1-CB 4.11Å; V15-F333 HydrophobicContact CG1-CG 4.45Å; V15-F333 HydrophobicContact CG2-CD1 3.47Å; V15-F333 VanDerWaalsContact CG2-CD1 3.47Å; V15-F333 HydrophobicContact CG2-CE1 3.86Å; V15-F333 HydrophobicContact CG2-CG 4.13Å; L16-F333 CarbonylContact O-C 3.54Å; L16-F333 WeakPolarHBondContact O-CA 3.44Å; L17-F333 HydrophobicContact CG-CD1 4.38Å; L17-F333 HydrophobicContact CG-CE1 4.06Å; L199-F333 HydrophobicContact CD1-CE1 4.46Å; L199-F333 HydrophobicContact CD1-CE2 4.12Å; L199-F333 HydrophobicContact CD1-CZ 3.88Å; K230-F333 HydrophobicContact CB-CE1 4.21Å; K230-F333 HydrophobicContact CG-CE1 4.18Å; K230-F333 WeakPolarHBondContact O-CZ 3.49Å; A234-F333 HydrophobicContact CB-CE2 4.04Å; A234-F333 HydrophobicContact CB-CZ 4.06Å; T331-F333 HydrophobicContact CG2-CD1 4.13Å; T331-F333 HydrophobicContact CG2-CD2 4.03Å; T331-F333 HydrophobicContact CG2-CE1 3.83Å; T331-F333 HydrophobicContact CG2-CE2 3.72Å; T331-F333 HydrophobicContact CG2-CG 4.22Å; T331-F333 HydrophobicContact CG2-CZ 3.62Å
334	I	98.6	Very high	95.2	Very high	79 Å²	79	92.7 Å²	92.7	41%	0.405	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.9	168.9	-60.9	165.7	0	0	0	106	V15 L16 R18 V336	V15-I334 CarbonylContact C-O 3.55Å; V15-I334 WeakPolarHBondContact CA-O 3.27Å; L16-I334 PolarHBondContact N-O 3.36Å; L16-I334 PolarHBondContact O-N 2.86Å; R18-I334 HydrophobicContact CB-CD1 3.69Å; R18-I334 HydrophobicContact CB-CG1 4Å; R18-I334 HydrophobicContact CG-CD1 3.98Å; I334-V336 HydrophobicContact CG2-CG1 4.45Å
335	R	98.3	Very high	93.5	Very high	175 Å²	175	95.3 Å²	95.3	66%	0.66	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.6	172.8	-69.6	-178.4	-65	172	-0.1	109.9	L10 D14 V15	L10-R335 HydrophobicContact CD1-CG 4.32Å; D14-R335 CarbonylContact O-C 3.56Å; D14-R335 WeakPolarHBondContact O-CA 3.46Å; V15-R335 HydrophobicContact CG1-CG 4.49Å
336	V	97.7	Very high	91.4	Very high	37 Å²	37	93.7 Å²	93.7	22%	0.224	48%	0.475	C	S	.	.			trans	-132.3	154	-178.1	-63.2	0	0	0	0	111.3	D14 L16 I334 Q338	D14-V336 PolarHBondContact O-N 3.11Å; L16-V336 HydrophobicContact CB-CG1 4.34Å; L16-V336 HydrophobicContact CD1-CG1 3.8Å; L16-V336 HydrophobicContact CG-CG1 3.78Å; L16-V336 HydrophobicContact CG-CG2 4.36Å; I334-V336 HydrophobicContact CG2-CG1 4.45Å; V336-Q338 WeakPolarHBondContact CB-O 3.15Å; V336-Q338 WeakPolarHBondContact CG2-O 3.4Å
337	T	95.9	Very high	88.7	Confident	140 Å²	140	99 Å²	99	86%	0.859	51%	0.505	S	S	*	.	S	Bend	trans	-87.1	-22.9	165.2	53	0	0	0	0	111.8
338	Q	92.8	Very high	85.9	Confident	145 Å²	145	109.9 Å²	109.9	68%	0.678	56%	0.563	S	S	*	*			trans	-136.8	126.2	179.8	-59.3	-66.7	21.9	0	0	110.9	V336	V336-Q338 WeakPolarHBondContact CB-O 3.15Å; V336-Q338 WeakPolarHBondContact CG2-O 3.4Å
339	Q	91.9	Very high	85.2	Confident	48 Å²	48	113.2 Å²	113.2	22%	0.224	58%	0.576	C	S	.	*	S	Bend	trans	-80.8	-40.7	175.4	-178	-179.5	-8.1	0	0	112.2	L16 D227 K230	L16-Q339 HydrophobicContact CD2-CG 4.34Å; D227-Q339 PolarHBondContact OD1-NE2 2.85Å; K230-Q339 VanDerWaalsContact NZ-CD 3.33Å
340	L	89.6	Confident	84.6	Confident	119 Å²	119	107.5 Å²	107.5	62%	0.623	56%	0.562	S	S	*	*			trans	-128.9	146.9	-171.8	-61.1	176.9	0	0	0	110.3	T342	L340-T342 HydrophobicContact CB-CG2 4.27Å
341	N	89.1	Confident	83.8	Confident	138 Å²	138	108 Å²	108	74%	0.738	57%	0.573	S	S	*	*			trans	-86.6	115.3	160	-178.2	-20	0	0	0	107.9	V343	N341-V343 WeakPolarHBondContact OD1-CB 3.44Å; N341-V343 WeakPolarHBondContact OD1-CG2 3.38Å; N341-V343 PolarHBondContact OD1-N 3.46Å; N341-V343 VanDerWaalsContact OD1-N 3.11Å
342	T	88.5	Confident	82.9	Confident	66 Å²	66	113.2 Å²	113.2	41%	0.405	60%	0.6	S	S	.	*			trans	-99.4	10.2	-172.5	54.2	0	0	0	0	114.2	L340 F344 G345 N346	L340-T342 HydrophobicContact CB-CG2 4.27Å; T342-F344 PolarHBondContact O-N 2.95Å; T342-G345 PolarHBondContact O-N 3.39Å; T342-N346 WeakPolarHBondContact CB-OD1 3.44Å; T342-N346 WeakPolarHBondContact CG2-OD1 3.33Å
343	V	88.4	Confident	81.9	Confident	105 Å²	105	116.8 Å²	116.8	64%	0.636	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-31.3	-177.3	168.3	0	0	0	0	113	N341	N341-V343 WeakPolarHBondContact OD1-CB 3.44Å; N341-V343 WeakPolarHBondContact OD1-CG2 3.38Å; N341-V343 PolarHBondContact OD1-N 3.46Å; N341-V343 VanDerWaalsContact OD1-N 3.11Å
344	F	83.6	Confident	80.8	Confident	203 Å²	203	120.9 Å²	120.9	89%	0.89	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	22.5	175.5	-56.6	-61.4	0	0	0	113.6	T342	T342-F344 PolarHBondContact O-N 2.95Å
345	G	62.8	Low	79.5	Confident	56 Å²	56	123.9 Å²	123.9	58%	0.577	66%	0.657	S	S	*	*			trans	-135	20.5	-163.6	0	0	0	0	0	116.5	T342	T342-G345 PolarHBondContact O-N 3.39Å
346	N	54.3	Low	78.1	Confident	109 Å²	109	119.9 Å²	119.9	58%	0.583	66%	0.657	S	S	*	*			trans	-102	11.3	-178.9	-90.8	-0.5	0	0	0	114.5	T342 N348	T342-N346 WeakPolarHBondContact CB-OD1 3.44Å; T342-N346 WeakPolarHBondContact CG2-OD1 3.33Å; N346-N348 VanDerWaalsContact C-N 3.3Å; N346-N348 PolarHBondContact O-N 3.28Å
347	D	41.2	Very low	76.4	Confident	166 Å²	166	126.8 Å²	126.8	89%	0.888	69%	0.693	S	S	*	*			trans	-75	90.5	175.1	-67.3	-20.3	0	0	0	108.9
348	N	39.3	Very low	74.7	Confident	227 Å²	227	125.6 Å²	125.6	100%	1.214	68%	0.678	S	S	*	*			trans	-58.1	0	171.8	-76	-46.5	0	0	0	112.7	N346	N346-N348 VanDerWaalsContact C-N 3.3Å; N346-N348 PolarHBondContact O-N 3.28Å

Retrieved 348 of 348 residues in 81.1 ms (Link to these results)

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