A0A077ZKL2_TRITR 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.

AlphaFold DB , UniProt , Accession A0A077ZKL2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 aa.

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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	70.1	Confident	91.3	Very high	233 Å²	233	106.6 Å²	106.6	100%	1.148	51%	0.509	S	S	*	.				0	120.3	0	-175.9	178.5	-170.4	0	0	107.2
2	R	87	Confident	91.8	Very high	218 Å²	218	108.6 Å²	108.6	82%	0.823	51%	0.514	S	S	*	.			trans	-92	138.9	174.2	179	179.8	175.3	-171.5	-4.2	107.9
3	I	87.9	Confident	92.2	Very high	126 Å²	126	103.2 Å²	103.2	65%	0.646	49%	0.49	S	S	*	.			trans	-109.3	129.2	168.8	-60.9	177.5	0	0	0	106.1
4	E	88.7	Confident	92.7	Very high	99 Å²	99	96 Å²	96	46%	0.463	46%	0.456	S	S	.	.			trans	-80.2	119.6	168.5	-68.7	-170.3	-168.8	0	0	108.4	K8	E4-K8 WeakPolarHBondContact OE2-CE 3.25Å; E4-K8 IonicContact OE2-NZ 2.75Å; E4-K8 PolarHBondContact OE2-NZ 3.41Å
5	E	92.3	Very high	93.1	Very high	186 Å²	186	94.3 Å²	94.3	87%	0.869	45%	0.451	S	S	*	.			trans	-92.4	-12.7	-176.2	-62	-176.6	165.7	0	0	112.4
6	D	93.3	Very high	93.4	Very high	92 Å²	92	90.9 Å²	90.9	49%	0.492	44%	0.435	S	S	.	.	S	Bend	trans	-74.8	137.7	179.3	66.7	-64	0	0	0	111.5	K8	D6-K8 VanDerWaalsContact CG-NZ 3.32Å; D6-K8 PolarHBondContact O-N 3.32Å; D6-K8 VanDerWaalsContact O-N 3.14Å; D6-K8 IonicContact OD1-NZ 3.3Å; D6-K8 PolarHBondContact OD1-NZ 2.96Å; D6-K8 WeakPolarHBondContact OD2-CD 3.31Å; D6-K8 WeakPolarHBondContact OD2-CE 3.41Å; D6-K8 IonicContact OD2-NZ 3.91Å; D6-K8 PolarHBondContact OD2-NZ 3.27Å
7	L	94.7	Very high	93.7	Very high	117 Å²	117	93.6 Å²	93.6	61%	0.613	44%	0.44	S	S	*	.			trans	-71.1	111.6	-176.3	-178.3	66.5	0	0	0	110.7	L9	L7-L9 HydrophobicContact CD2-CD2 3.73Å; L7-L9 HydrophobicContact CG-CD2 3.77Å
8	K	97	Very high	93.9	Very high	48 Å²	48	92.9 Å²	92.9	21%	0.209	45%	0.445	C	S	.	.			trans	-84.9	137.1	171.5	-49.6	-56.5	-176.7	172.6	0	110.9	E4 D6 Y196 P197 S200	E4-K8 WeakPolarHBondContact OE2-CE 3.25Å; E4-K8 IonicContact OE2-NZ 2.75Å; E4-K8 PolarHBondContact OE2-NZ 3.41Å; D6-K8 VanDerWaalsContact CG-NZ 3.32Å; D6-K8 PolarHBondContact O-N 3.32Å; D6-K8 VanDerWaalsContact O-N 3.14Å; D6-K8 IonicContact OD1-NZ 3.3Å; D6-K8 PolarHBondContact OD1-NZ 2.96Å; D6-K8 WeakPolarHBondContact OD2-CD 3.31Å; D6-K8 WeakPolarHBondContact OD2-CE 3.41Å; D6-K8 IonicContact OD2-NZ 3.91Å; D6-K8 PolarHBondContact OD2-NZ 3.27Å; K8-Y196 HydrophobicContact CB-CE1 4.4Å; K8-Y196 HydrophobicContact CD-CE1 3.84Å; K8-Y196 WeakPolarHBondContact CD-OH 3.5Å; K8-Y196 WeakPolarHBondContact CE-OH 3.41Å; K8-Y196 HydrophobicContact CG-CE1 4.13Å; K8-Y196 PolarHBondContact NZ-OH 3.4Å; K8-P197 HydrophobicContact CB-CB 4.03Å; K8-P197 HydrophobicContact CB-CG 3.61Å; K8-S200 WeakPolarHBondContact CA-OG 3.45Å
9	L	97.6	Very high	94.1	Very high	31 Å²	31	91.9 Å²	91.9	16%	0.162	44%	0.438	C	S	.	.			trans	-118.5	141.4	-169.8	-58.5	175.9	0	0	0	111.6	L7 D13 V14 P197 L199 S200 R335	L7-L9 HydrophobicContact CD2-CD2 3.73Å; L7-L9 HydrophobicContact CG-CD2 3.77Å; L9-D13 HydrophobicContact CB-CB 4.24Å; L9-D13 HydrophobicContact CD2-CB 3.81Å; L9-V14 HydrophobicContact CD1-CG1 3.9Å; L9-P197 CarbonylContact O-C 3.54Å; L9-P197 VanDerWaalsContact O-CB 3.23Å; L9-P197 WeakPolarHBondContact O-CB 3.26Å; L9-L199 WeakPolarHBondContact O-CB 3.33Å; L9-L199 PolarHBondContact O-N 3.01Å; L9-S200 PolarHBondContact N-OG 3.4Å; L9-S200 PolarHBondContact O-N 3.24Å; L9-R335 HydrophobicContact CD1-CG 4.1Å
10	G	97.8	Very high	94.3	Very high	13 Å²	13	98.4 Å²	98.4	13%	0.134	46%	0.458	C	S	.	.			trans	-96.4	178	163.6	0	0	0	0	0	111.6	K12 D13	G10-K12 PolarHBondContact O-N 3.43Å; G10-D13 WeakPolarHBondContact CA-OD2 3.48Å; G10-D13 PolarHBondContact N-OD2 3.2Å; G10-D13 PolarHBondContact O-N 3.42Å; G10-D13 VanDerWaalsContact O-N 3.15Å
11	F	98.1	Very high	94.4	Very high	10 Å²	10	95.7 Å²	95.7	4%	0.044	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33	179.3	-58.6	-53.1	0	0	0	113.3	D13 Q198 L199 D227 K230 A231	F11-D13 PolarHBondContact O-N 2.85Å; F11-Q198 HydrophobicContact CE1-CG 4.48Å; F11-Q198 HydrophobicContact CE2-CB 3.99Å; F11-Q198 HydrophobicContact CE2-CG 3.6Å; F11-Q198 HydrophobicContact CZ-CB 4.13Å; F11-Q198 HydrophobicContact CZ-CG 3.51Å; F11-L199 HydrophobicContact CD1-CB 3.93Å; F11-L199 HydrophobicContact CD1-CD1 4.17Å; F11-L199 HydrophobicContact CE1-CB 4.09Å; F11-L199 HydrophobicContact CE1-CD1 4.08Å; F11-D227 HydrophobicContact CB-CB 4.1Å; F11-D227 WeakPolarHBondContact CB-OD1 3.37Å; F11-D227 HydrophobicContact CD2-CB 3.99Å; F11-D227 HydrophobicContact CG-CB 4.07Å; F11-K230 HydrophobicContact CB-CD 4.03Å; F11-K230 HydrophobicContact CD1-CB 3.83Å; F11-K230 HydrophobicContact CE1-CB 4.48Å; F11-K230 VanDerWaalsContact O-CD 3.26Å; F11-K230 WeakPolarHBondContact O-CD 3.47Å; F11-K230 WeakPolarHBondContact O-CE 3.5Å; F11-K230 PolarHBondContact O-NZ 3.19Å; F11-A231 HydrophobicContact CE1-CB 3.84Å; F11-A231 HydrophobicContact CZ-CB 3.86Å
12	K	97	Very high	95.6	Very high	130 Å²	130	90.2 Å²	90.2	57%	0.565	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-69.4	-18.3	-179.8	69.8	173.1	-175.9	64.4	0	114.5	G10 V14	G10-K12 PolarHBondContact O-N 3.43Å; K12-V14 VanDerWaalsContact C-N 3.3Å
13	D	97.6	Very high	96	Very high	39 Å²	39	81.6 Å²	81.6	21%	0.209	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-89.1	-0.6	-172.1	-53.3	-55.9	0	0	0	112.2	L9 G10 F11 R335 V336	L9-D13 HydrophobicContact CB-CB 4.24Å; L9-D13 HydrophobicContact CD2-CB 3.81Å; G10-D13 WeakPolarHBondContact CA-OD2 3.48Å; G10-D13 PolarHBondContact N-OD2 3.2Å; G10-D13 PolarHBondContact O-N 3.42Å; G10-D13 VanDerWaalsContact O-N 3.15Å; F11-D13 PolarHBondContact O-N 2.85Å; D13-R335 WeakPolarHBondContact O-CA 3.21Å; D13-V336 PolarHBondContact O-N 2.84Å
14	V	98.3	Very high	96.4	Very high	2 Å²	2	85.2 Å²	85.2	1%	0.012	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157	-178.3	-57	0	0	0	0	114	L9 K12 L199 K230 F333 I334	L9-V14 HydrophobicContact CD1-CG1 3.9Å; K12-V14 VanDerWaalsContact C-N 3.3Å; V14-L199 HydrophobicContact CB-CD2 4.31Å; V14-L199 HydrophobicContact CG1-CD2 4.04Å; V14-L199 HydrophobicContact CG2-CD2 3.29Å; V14-K230 HydrophobicContact CG2-CD 4.24Å; V14-K230 WeakPolarHBondContact O-CE 3.13Å; V14-K230 PolarHBondContact O-NZ 2.77Å; V14-F333 HydrophobicContact CB-CB 4.13Å; V14-F333 HydrophobicContact CB-CD1 3.94Å; V14-F333 HydrophobicContact CB-CG 4.29Å; V14-F333 HydrophobicContact CG1-CB 4.18Å; V14-F333 HydrophobicContact CG2-CD1 3.5Å; V14-F333 HydrophobicContact CG2-CE1 3.9Å; V14-F333 HydrophobicContact CG2-CG 4.14Å; V14-I334 CarbonylContact C-O 3.48Å; V14-I334 WeakPolarHBondContact CA-O 3.2Å
15	L	98.5	Very high	96.7	Very high	71 Å²	71	82.9 Å²	82.9	37%	0.372	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	160.8	163	-66.1	178.9	0	0	0	110.5	F333 I334 V336	L15-F333 CarbonylContact O-C 3.49Å; L15-F333 WeakPolarHBondContact O-CA 3.36Å; L15-I334 PolarHBondContact N-O 2.92Å; L15-I334 PolarHBondContact O-N 3.15Å; L15-V336 HydrophobicContact CB-CG1 4.25Å; L15-V336 HydrophobicContact CD1-CG1 3.76Å; L15-V336 HydrophobicContact CG-CG1 3.74Å; L15-V336 HydrophobicContact CG-CG2 4.28Å
16	I	98.5	Very high	96.9	Very high	40 Å²	40	81.3 Å²	81.3	21%	0.205	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.9	174.6	-60.2	174.3	0	0	0	108.8	A229 K230 V319 T331 F333	I16-A229 HydrophobicContact CD1-CB 4.3Å; I16-K230 HydrophobicContact CD1-CG 4.24Å; I16-K230 HydrophobicContact CG1-CG 4.29Å; I16-V319 HydrophobicContact CG2-CG1 3.43Å; I16-V319 VanDerWaalsContact CG2-CG1 3.43Å; I16-T331 HydrophobicContact CG1-CG2 4.43Å; I16-T331 HydrophobicContact CG2-CG2 4.42Å; I16-F333 HydrophobicContact CD1-CE1 4.46Å; I16-F333 HydrophobicContact CG1-CD1 4.13Å; I16-F333 HydrophobicContact CG1-CE1 3.79Å
17	R	98.5	Very high	97.1	Very high	137 Å²	137	81.3 Å²	81.3	52%	0.517	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-67.5	123.7	176.3	-173.4	175.6	179.7	-126	-0.3	110.5	T332 I334	R17-T332 HydrophobicContact CB-CG2 4.48Å; R17-T332 WeakPolarHBondContact CB-O 3.36Å; R17-T332 PolarHBondContact N-O 3.29Å; R17-I334 HydrophobicContact CB-CD1 3.61Å; R17-I334 HydrophobicContact CB-CG1 4.01Å; R17-I334 HydrophobicContact CG-CD1 3.85Å
18	P	98.2	Very high	97.1	Very high	81 Å²	81	79.7 Å²	79.7	53%	0.526	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-65.8	152.5	172.7	28.5	-34.4	0	0	0	111.1	Y318	P18-Y318 CarbonylContact C-O 3.47Å; P18-Y318 WeakPolarHBondContact CA-O 3.21Å; P18-Y318 HydrophobicContact CB-CD1 4.48Å; P18-Y318 WeakPolarHBondContact CB-O 3.48Å
19	K	97.7	Very high	97.2	Very high	74 Å²	74	77.7 Å²	77.7	32%	0.322	38%	0.383	S	S	.	.			trans	-133.7	162.7	-179	-63.5	-175.5	178.4	175	0	109.9	S21 Y318 R330 T332	K19-S21 PolarHBondContact O-N 3.39Å; K19-Y318 PolarHBondContact N-O 3.24Å; K19-R330 VanDerWaalsContact CD-O 3.31Å; K19-R330 WeakPolarHBondContact CD-O 3.33Å; K19-R330 WeakPolarHBondContact CE-O 3.29Å; K19-R330 PolarHBondContact NZ-O 3.09Å; K19-T332 WeakPolarHBondContact CE-OG1 3.46Å; K19-T332 PolarHBondContact NZ-OG1 2.73Å
20	R	96.7	Very high	97.2	Very high	221 Å²	221	80.7 Å²	80.7	83%	0.834	40%	0.396	S	S	*	.			trans	-55.5	127.5	173.9	-173.6	-179.7	-174.7	-81.1	-0.1	109.3
21	S	96.3	Very high	97.3	Very high	42 Å²	42	80.4 Å²	80.4	29%	0.294	39%	0.391	S	S	.	.			trans	-122.8	145.2	-177.8	-177.4	0	0	0	0	110.6	K19 L23 T317 G320	K19-S21 PolarHBondContact O-N 3.39Å; S21-L23 PolarHBondContact OG-N 3.29Å; S21-T317 WeakPolarHBondContact CB-O 3.45Å; S21-T317 PolarHBondContact OG-O 3.01Å; S21-T317 VanDerWaalsContact OG-O 3.05Å; S21-G320 WeakPolarHBondContact OG-CA 3.42Å
22	T	96.1	Very high	97.3	Very high	118 Å²	118	83.4 Å²	83.4	72%	0.724	41%	0.405	S	S	*	.			trans	-103.5	-1.7	171.9	52.8	0	0	0	0	112.5
23	L	96.1	Very high	97.3	Very high	36 Å²	36	78.4 Å²	78.4	19%	0.188	38%	0.383	C	S	.	.			trans	-73.2	139.4	177.8	-66.7	158.8	0	0	0	109.9	S21 D28 V29 T317 A321	S21-L23 PolarHBondContact OG-N 3.29Å; L23-D28 HydrophobicContact CD2-CB 3.81Å; L23-V29 HydrophobicContact CD1-CG2 4.12Å; L23-T317 HydrophobicContact CB-CG2 4.36Å; L23-T317 HydrophobicContact CD1-CG2 4.26Å; L23-A321 WeakPolarHBondContact CD1-O 3.44Å
24	K	94.8	Very high	97.3	Very high	203 Å²	203	83.8 Å²	83.8	88%	0.883	41%	0.407	S	S	*	.			trans	-97.4	-32.5	180	-65.7	-178.7	-178.4	177.5	0	111.6	D28	K24-D28 PolarHBondContact N-OD2 3Å
25	S	96.2	Very high	97.3	Very high	50 Å²	50	84.3 Å²	84.3	35%	0.35	41%	0.409	S	S	.	.			trans	-137	154.3	-177	-179.2	0	0	0	0	111.7	S27 D28	S25-S27 VanDerWaalsContact CB-OG 3.26Å; S25-S27 WeakPolarHBondContact CB-OG 3.43Å; S25-S27 PolarHBondContact O-N 2.95Å; S25-S27 PolarHBondContact OG-N 3.34Å; S25-S27 VanDerWaalsContact OG-N 3.15Å; S25-S27 PolarHBondContact OG-OG 3.24Å; S25-D28 PolarHBondContact N-OD2 2.91Å; S25-D28 WeakPolarHBondContact O-CB 3.34Å; S25-D28 PolarHBondContact O-N 3.18Å
26	R	96.3	Very high	97.3	Very high	153 Å²	153	85.1 Å²	85.1	58%	0.577	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-62.4	-28.2	168.8	-71.4	168.7	-73.9	-178.9	-2.5	111.7	D28 V29 R313 T317	R26-D28 PolarHBondContact O-N 3.16Å; R26-V29 PolarHBondContact O-N 3.36Å; R26-R313 HydrophobicContact CB-CB 4.11Å; R26-R313 VanDerWaalsContact O-CD 3.26Å; R26-R313 WeakPolarHBondContact O-CD 3.27Å; R26-T317 HydrophobicContact CB-CG2 4.41Å; R26-T317 HydrophobicContact CG-CG2 3.91Å
27	S	96.8	Very high	97.3	Very high	92 Å²	92	83.4 Å²	83.4	64%	0.643	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.6	175.9	56.7	0	0	0	0	113.5	S25 V29	S25-S27 VanDerWaalsContact CB-OG 3.26Å; S25-S27 WeakPolarHBondContact CB-OG 3.43Å; S25-S27 PolarHBondContact O-N 2.95Å; S25-S27 PolarHBondContact OG-N 3.34Å; S25-S27 VanDerWaalsContact OG-N 3.15Å; S25-S27 PolarHBondContact OG-OG 3.24Å; S27-V29 PolarHBondContact O-N 3.12Å
28	D	96.1	Very high	97.3	Very high	82 Å²	82	80.9 Å²	80.9	44%	0.439	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-80.4	-2.6	-178.5	-52	-23	0	0	0	112.2	L23 K24 S25 R26	L23-D28 HydrophobicContact CD2-CB 3.81Å; K24-D28 PolarHBondContact N-OD2 3Å; S25-D28 PolarHBondContact N-OD2 2.91Å; S25-D28 WeakPolarHBondContact O-CB 3.34Å; S25-D28 PolarHBondContact O-N 3.18Å; R26-D28 PolarHBondContact O-N 3.16Å
29	V	98.2	Very high	97.3	Very high	7 Å²	7	80 Å²	80	4%	0.042	39%	0.39	C	S	.	.			trans	-93.8	122.1	-177	179.1	0	0	0	0	111.1	L23 R26 S27 L31 R313 C316 T317 S322	L23-V29 HydrophobicContact CD1-CG2 4.12Å; R26-V29 PolarHBondContact O-N 3.36Å; S27-V29 PolarHBondContact O-N 3.12Å; V29-L31 HydrophobicContact CG1-CD2 3.99Å; V29-R313 HydrophobicContact CB-CB 4.17Å; V29-R313 HydrophobicContact CB-CG 3.99Å; V29-R313 HydrophobicContact CG1-CB 4.48Å; V29-R313 HydrophobicContact CG1-CG 4.19Å; V29-C316 HydrophobicContact CB-CB 4.43Å; V29-C316 HydrophobicContact CG1-CB 3.58Å; V29-C316 HydrophobicContact CG2-CB 3.97Å; V29-T317 HydrophobicContact CG2-CG2 3.8Å; V29-S322 WeakPolarHBondContact CA-O 3.26Å
30	E	98.3	Very high	97.3	Very high	94 Å²	94	77.1 Å²	77.1	44%	0.439	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-86.1	118.5	171.9	-172.8	-175.5	179.3	0	0	110.1	E32 S322 R323 L324	E30-E32 HydrophobicContact CG-CB 4.26Å; E30-S322 PolarHBondContact N-O 3.35Å; E30-R323 HydrophobicContact CB-CG 4.07Å; E30-R323 CarbonylContact O-C 3.5Å; E30-R323 VanDerWaalsContact O-CA 3.29Å; E30-R323 WeakPolarHBondContact O-CA 3.34Å; E30-R323 WeakPolarHBondContact OE2-CD 3.39Å; E30-R323 WeakPolarHBondContact OE2-CG 3.21Å; E30-L324 PolarHBondContact O-N 2.94Å
31	L	98.5	Very high	97.4	Very high	7 Å²	7	69 Å²	69	4%	0.037	36%	0.364	C	S	.	.			trans	-91.9	-16.8	177.5	-64.3	-175.4	0	0	0	113.3	V29 V47 L309 L312 R313 L324	V29-L31 HydrophobicContact CG1-CD2 3.99Å; L31-V47 HydrophobicContact CB-CG2 4.3Å; L31-L309 HydrophobicContact CD1-CB 3.78Å; L31-L309 HydrophobicContact CD1-CD2 3.61Å; L31-L309 HydrophobicContact CD1-CG 4.22Å; L31-L312 HydrophobicContact CD1-CB 4.29Å; L31-L312 HydrophobicContact CD2-CB 3.98Å; L31-R313 HydrophobicContact CD1-CG 3.89Å; L31-R313 HydrophobicContact CD2-CG 4Å; L31-R313 HydrophobicContact CG-CG 3.91Å; L31-L324 HydrophobicContact CD2-CB 4.39Å; L31-L324 WeakPolarHBondContact O-CD2 3.47Å
32	E	98.1	Very high	97.4	Very high	72 Å²	72	69.9 Å²	69.9	34%	0.336	36%	0.364	S	S	.	.			trans	-62.3	141.3	178.7	-166.8	177.3	139.6	0	0	110.8	E30 S45 G46	E30-E32 HydrophobicContact CG-CB 4.26Å; E32-S45 WeakPolarHBondContact OE1-CB 3.44Å; E32-S45 PolarHBondContact OE1-OG 3.31Å; E32-G46 CarbonylContact C-O 3.53Å; E32-G46 WeakPolarHBondContact CA-O 3.44Å
33	R	98.1	Very high	97.5	Very high	25 Å²	25	68.3 Å²	68.3	9%	0.094	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136	174.9	-69.4	-67.9	-63.5	-84.2	-3.8	108.9	F35 S45 G46 P48 L324	R33-F35 HydrophobicContact CB-CD2 4.07Å; R33-F35 HydrophobicContact CB-CE2 3.52Å; R33-F35 HydrophobicContact CB-CZ 3.88Å; R33-F35 HydrophobicContact CG-CE2 4.24Å; R33-F35 HydrophobicContact CG-CZ 4.23Å; R33-S45 WeakPolarHBondContact O-CA 3.44Å; R33-G46 PolarHBondContact N-O 3.47Å; R33-G46 PolarHBondContact O-N 3.47Å; R33-P48 HydrophobicContact CB-CG 4.31Å; R33-P48 HydrophobicContact CG-CG 3.8Å; R33-L324 HydrophobicContact CG-CD2 4.27Å
34	Q	97.9	Very high	97.6	Very high	152 Å²	152	67.6 Å²	67.6	71%	0.71	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.2	167.4	-72.3	175.3	-2.1	0	0	109.5	W44 S45	Q34-W44 WeakPolarHBondContact CA-O 3.4Å; Q34-S45 WeakPolarHBondContact CG-OG 3.24Å
35	F	97.9	Very high	97.7	Very high	13 Å²	13	59.7 Å²	59.7	6%	0.057	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.6	-179.9	-70	-60.5	0	0	0	110.2	R33 F37 S43 W44 P48 M215 D237 F238	R33-F35 HydrophobicContact CB-CD2 4.07Å; R33-F35 HydrophobicContact CB-CE2 3.52Å; R33-F35 HydrophobicContact CB-CZ 3.88Å; R33-F35 HydrophobicContact CG-CE2 4.24Å; R33-F35 HydrophobicContact CG-CZ 4.23Å; F35-F37 HydrophobicContact CB-CE1 4.22Å; F35-F37 HydrophobicContact CB-CZ 4.14Å; F35-S43 CarbonylContact O-C 3.47Å; F35-S43 WeakPolarHBondContact O-CA 3.3Å; F35-W44 AromaticContact CD2-CE3 3.99Å; F35-W44 HydrophobicContact CD2-CE3 3.99Å; F35-W44 HydrophobicContact CD2-CZ3 4.1Å; F35-W44 HydrophobicContact CE2-CZ3 4.43Å; F35-W44 PolarHBondContact N-O 3.42Å; F35-W44 PolarHBondContact O-N 3.05Å; F35-P48 HydrophobicContact CE2-CB 4.07Å; F35-M215 HydrophobicContact CB-CE 3.81Å; F35-M215 HydrophobicContact CB-SD 4.03Å; F35-M215 HydrophobicContact CD1-CE 3.41Å; F35-M215 VanDerWaalsContact CD1-CE 3.41Å; F35-M215 HydrophobicContact CD1-SD 3.5Å; F35-M215 VanDerWaalsContact CD1-SD 3.5Å; F35-M215 HydrophobicContact CD2-SD 4.48Å; F35-M215 HydrophobicContact CE1-CE 4.21Å; F35-M215 HydrophobicContact CE1-SD 3.94Å; F35-M215 HydrophobicContact CG-CE 3.91Å; F35-M215 HydrophobicContact CG-SD 3.78Å; F35-D237 HydrophobicContact CE1-CB 4.13Å; F35-D237 HydrophobicContact CZ-CB 3.83Å; F35-F238 HydrophobicContact CD2-CE1 4.29Å; F35-F238 AromaticContact CD2-CE2 3.98Å; F35-F238 HydrophobicContact CD2-CE2 3.98Å; F35-F238 AromaticContact CD2-CZ 3.51Å; F35-F238 HydrophobicContact CD2-CZ 3.51Å; F35-F238 HydrophobicContact CE2-CE1 4.13Å; F35-F238 AromaticContact CE2-CE2 3.82Å; F35-F238 HydrophobicContact CE2-CE2 3.82Å; F35-F238 AromaticContact CE2-CZ 3.56Å; F35-F238 HydrophobicContact CE2-CZ 3.56Å; F35-F238 HydrophobicContact CG-CZ 4.44Å; F35-F238 HydrophobicContact CZ-CE2 4.36Å
36	T	98.2	Very high	97.8	Very high	89 Å²	89	57.3 Å²	57.3	55%	0.546	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.2	164.2	-58.1	0	0	0	0	107.1	Q42 S43	T36-Q42 WeakPolarHBondContact CA-O 3.39Å; T36-S43 PolarHBondContact OG1-OG 2.85Å
37	F	98.6	Very high	97.9	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	28%	0.282	C	S	.	.			trans	-88	139.7	-172.2	-61.3	-68.9	0	0	0	111.7	F35 H39 S40 G41 Q42 W44 F125 T153 D174 I175 M215 F238	F35-F37 HydrophobicContact CB-CE1 4.22Å; F35-F37 HydrophobicContact CB-CZ 4.14Å; F37-H39 PolarHBondContact O-N 3.12Å; F37-S40 WeakPolarHBondContact CB-OG 3.48Å; F37-G41 WeakPolarHBondContact O-CA 3.49Å; F37-G41 PolarHBondContact O-N 2.98Å; F37-Q42 HydrophobicContact CD2-CB 4.24Å; F37-Q42 VanDerWaalsContact CD2-O 3.32Å; F37-Q42 WeakPolarHBondContact CD2-O 3.5Å; F37-Q42 PolarHBondContact N-O 3.35Å; F37-W44 HydrophobicContact CE2-CB 3.72Å; F37-W44 HydrophobicContact CZ-CB 4.19Å; F37-F125 AromaticContact CE2-CE1 3.65Å; F37-F125 HydrophobicContact CE2-CE1 3.65Å; F37-F125 AromaticContact CE2-CZ 3.8Å; F37-F125 HydrophobicContact CE2-CZ 3.8Å; F37-F125 AromaticContact CZ-CE1 3.67Å; F37-F125 HydrophobicContact CZ-CE1 3.67Å; F37-F125 HydrophobicContact CZ-CZ 4.04Å; F37-T153 HydrophobicContact CB-CG2 4.09Å; F37-T153 HydrophobicContact CD1-CG2 3.67Å; F37-T153 HydrophobicContact CD2-CG2 3.55Å; F37-T153 WeakPolarHBondContact CD2-OG1 3.21Å; F37-T153 HydrophobicContact CE1-CG2 3.93Å; F37-T153 HydrophobicContact CE2-CG2 3.79Å; F37-T153 HydrophobicContact CG-CG2 3.48Å; F37-T153 VanDerWaalsContact CG-CG2 3.48Å; F37-T153 HydrophobicContact CZ-CG2 3.98Å; F37-D174 HydrophobicContact CB-CB 3.93Å; F37-D174 HydrophobicContact CD1-CB 4.16Å; F37-D174 HydrophobicContact CG-CB 4.32Å; F37-I175 HydrophobicContact CD1-CD1 4.22Å; F37-I175 HydrophobicContact CD1-CG1 4.07Å; F37-I175 HydrophobicContact CE1-CD1 3.57Å; F37-I175 HydrophobicContact CE1-CG1 3.86Å; F37-I175 HydrophobicContact CZ-CD1 4.17Å; F37-M215 HydrophobicContact CD1-CE 4.27Å; F37-M215 HydrophobicContact CD1-SD 3.82Å; F37-M215 HydrophobicContact CE1-CE 4.47Å; F37-M215 HydrophobicContact CE1-SD 3.64Å; F37-F238 HydrophobicContact CE1-CE2 4.23Å; F37-F238 HydrophobicContact CE1-CZ 4.22Å; F37-F238 HydrophobicContact CZ-CZ 4.16Å
38	K	98.2	Very high	98	Very high	84 Å²	84	46.2 Å²	46.2	37%	0.365	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-50.8	-168.1	177.8	178.4	177.7	173.2	0	114.1	I169 D174 L212	K38-I169 HydrophobicContact CD-CG2 3.91Å; K38-D174 PolarHBondContact N-OD1 3.5Å; K38-L212 VanDerWaalsContact CD-O 3.27Å; K38-L212 WeakPolarHBondContact CD-O 3.41Å; K38-L212 VanDerWaalsContact CE-O 3.26Å; K38-L212 WeakPolarHBondContact CE-O 3.44Å; K38-L212 PolarHBondContact NZ-O 3.05Å
39	H	98.5	Very high	98.1	Very high	63 Å²	63	42.4 Å²	42.4	29%	0.292	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-38.9	-170.1	-62	-76	0	0	0	111.9	F37 G41 R146 I169 A173 D174	F37-H39 PolarHBondContact O-N 3.12Å; H39-G41 VanDerWaalsContact C-N 3.29Å; H39-G41 PolarHBondContact O-N 3.31Å; H39-R146 VanDerWaalsContact CB-CZ 3.48Å; H39-I169 PolarHBondContact CE1-O 3.16Å; H39-I169 VanDerWaalsContact CE1-O 3.31Å; H39-I169 PolarHBondContact NE2-O 3.49Å; H39-A173 PolarHBondContact CD2-O 3.39Å; H39-A173 PolarHBondContact NE2-O 2.75Å; H39-D174 WeakPolarHBondContact CA-OD1 3.34Å; H39-D174 WeakPolarHBondContact CB-OD1 3.26Å; H39-D174 IonicContact CD2-OD1 3.78Å; H39-D174 PolarHBondContact N-OD1 2.89Å
40	S	98.2	Very high	98.2	Very high	13 Å²	13	42.1 Å²	42.1	9%	0.091	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.2	178.8	78.8	0	0	0	0	113	F37 Q42 K152 T153 D174	F37-S40 WeakPolarHBondContact CB-OG 3.48Å; S40-Q42 PolarHBondContact O-N 3.26Å; S40-Q42 VanDerWaalsContact O-N 3.1Å; S40-Q42 WeakPolarHBondContact OG-CB 3.27Å; S40-Q42 PolarHBondContact OG-N 3.33Å; S40-K152 VanDerWaalsContact CB-C 3.43Å; S40-K152 WeakPolarHBondContact CB-O 3.21Å; S40-T153 PolarHBondContact OG-OG1 2.98Å; S40-D174 PolarHBondContact N-OD1 3.23Å; S40-D174 VanDerWaalsContact N-OD1 3.1Å
41	G	97.8	Very high	98.2	Very high	51 Å²	51	37.6 Å²	37.6	53%	0.526	21%	0.208	S	C	.	.			trans	66.7	1.5	-172.8	0	0	0	0	0	113.9	F37 H39	F37-G41 WeakPolarHBondContact O-CA 3.49Å; F37-G41 PolarHBondContact O-N 2.98Å; H39-G41 VanDerWaalsContact C-N 3.29Å; H39-G41 PolarHBondContact O-N 3.31Å
42	Q	97.1	Very high	98.2	Very high	61 Å²	61	37.4 Å²	37.4	29%	0.285	21%	0.208	S	C	.	.			trans	-70.5	144.9	-179	-65.6	-64.6	-30.7	0	0	110.5	T36 F37 S40 T151	T36-Q42 WeakPolarHBondContact CA-O 3.39Å; F37-Q42 HydrophobicContact CD2-CB 4.24Å; F37-Q42 VanDerWaalsContact CD2-O 3.32Å; F37-Q42 WeakPolarHBondContact CD2-O 3.5Å; F37-Q42 PolarHBondContact N-O 3.35Å; S40-Q42 PolarHBondContact O-N 3.26Å; S40-Q42 VanDerWaalsContact O-N 3.1Å; S40-Q42 WeakPolarHBondContact OG-CB 3.27Å; S40-Q42 PolarHBondContact OG-N 3.33Å; Q42-T151 WeakPolarHBondContact CG-O 3.3Å; Q42-T151 PolarHBondContact NE2-O 2.74Å
43	S	97.4	Very high	98.2	Very high	85 Å²	85	34.8 Å²	34.8	59%	0.594	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.9	168.9	-68.7	0	0	0	0	110	F35 T36	F35-S43 CarbonylContact O-C 3.47Å; F35-S43 WeakPolarHBondContact O-CA 3.3Å; T36-S43 PolarHBondContact OG1-OG 2.85Å
44	W	97.8	Very high	98.2	Very high	20 Å²	20	34.8 Å²	34.8	8%	0.076	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.5	176.8	177.2	86.5	0	0	0	110.5	Q34 F35 F37 G46 P48 L72 K97 H98 F125 F238	Q34-W44 WeakPolarHBondContact CA-O 3.4Å; F35-W44 AromaticContact CD2-CE3 3.99Å; F35-W44 HydrophobicContact CD2-CE3 3.99Å; F35-W44 HydrophobicContact CD2-CZ3 4.1Å; F35-W44 HydrophobicContact CE2-CZ3 4.43Å; F35-W44 PolarHBondContact N-O 3.42Å; F35-W44 PolarHBondContact O-N 3.05Å; F37-W44 HydrophobicContact CE2-CB 3.72Å; F37-W44 HydrophobicContact CZ-CB 4.19Å; W44-G46 VanDerWaalsContact CH2-C 3.41Å; W44-G46 VanDerWaalsContact CH2-CA 3.42Å; W44-P48 HydrophobicContact CZ3-CB 4.47Å; W44-L72 HydrophobicContact CH2-CD1 3.89Å; W44-L72 HydrophobicContact CH2-CG 4.29Å; W44-L72 HydrophobicContact CZ2-CD1 3.62Å; W44-L72 HydrophobicContact CZ2-CD2 4.3Å; W44-L72 HydrophobicContact CZ2-CG 3.63Å; W44-L72 HydrophobicContact CZ3-CD1 4.5Å; W44-K97 PolarHBondContact NE1-O 3.07Å; W44-H98 AromaticContact CE2-CE1 3.93Å; W44-H98 AromaticContact CE2-ND1 3.76Å; W44-H98 AromaticContact CZ2-CE1 3.76Å; W44-H98 AromaticContact CZ2-ND1 3.56Å; W44-H98 AromaticContact NE1-CE1 3.66Å; W44-H98 AromaticContact NE1-ND1 3.38Å; W44-H98 PolarHBondContact NE1-ND1 2.9Å; W44-F125 HydrophobicContact CB-CZ 3.92Å; W44-F125 AromaticContact CD1-CE2 3.62Å; W44-F125 AromaticContact CD1-CZ 3.61Å; W44-F125 HydrophobicContact CD2-CZ 4.33Å; W44-F125 HydrophobicContact CG-CE2 4.16Å; W44-F125 AromaticContact CG-CZ 3.68Å; W44-F125 HydrophobicContact CG-CZ 3.68Å; W44-F238 HydrophobicContact CE3-CE1 4.12Å; W44-F238 HydrophobicContact CE3-CZ 4.22Å; W44-F238 HydrophobicContact CH2-CE1 4.02Å; W44-F238 AromaticContact CZ3-CE1 3.61Å; W44-F238 HydrophobicContact CZ3-CE1 3.61Å; W44-F238 HydrophobicContact CZ3-CZ 4.08Å
45	S	97.9	Very high	98.1	Very high	37 Å²	37	27.9 Å²	27.9	26%	0.259	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.5	173.2	-144.7	0	0	0	0	110.4	E32 R33 Q34	E32-S45 WeakPolarHBondContact OE1-CB 3.44Å; E32-S45 PolarHBondContact OE1-OG 3.31Å; R33-S45 WeakPolarHBondContact O-CA 3.44Å; Q34-S45 WeakPolarHBondContact CG-OG 3.24Å
46	G	98.3	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-172.3	175.2	0	0	0	0	0	112.4	E32 R33 W44	E32-G46 CarbonylContact C-O 3.53Å; E32-G46 WeakPolarHBondContact CA-O 3.44Å; R33-G46 PolarHBondContact N-O 3.47Å; R33-G46 PolarHBondContact O-N 3.47Å; W44-G46 VanDerWaalsContact CH2-C 3.41Å; W44-G46 VanDerWaalsContact CH2-CA 3.42Å
47	V	98.6	Very high	98.1	Very high	12 Å²	12	23.1 Å²	23.1	7%	0.073	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.3	173	179.5	0	0	0	0	108	L31 I49 F69 D70 I71 L309	L31-V47 HydrophobicContact CB-CG2 4.3Å; V47-I49 HydrophobicContact CG1-CD1 4.04Å; V47-I49 HydrophobicContact CG1-CG1 4.12Å; V47-I49 PolarHBondContact O-N 2.91Å; V47-F69 VanDerWaalsContact CG2-O 3.24Å; V47-F69 WeakPolarHBondContact CG2-O 3.27Å; V47-D70 PolarHBondContact N-O 3.34Å; V47-I71 HydrophobicContact CB-CG1 3.92Å; V47-I71 HydrophobicContact CG1-CG1 4.09Å; V47-L309 HydrophobicContact CG1-CD2 3.64Å
48	P	98.7	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	50.1	-169.3	38	-42.9	0	0	0	113.2	R33 F35 W44 F232 D237 F238 V239 L324	R33-P48 HydrophobicContact CB-CG 4.31Å; R33-P48 HydrophobicContact CG-CG 3.8Å; F35-P48 HydrophobicContact CE2-CB 4.07Å; W44-P48 HydrophobicContact CZ3-CB 4.47Å; P48-F232 HydrophobicContact CB-CE1 4.32Å; P48-F232 HydrophobicContact CG-CE1 3.66Å; P48-F232 HydrophobicContact CG-CZ 3.78Å; P48-F232 WeakPolarHBondContact O-CZ 3.34Å; P48-D237 WeakPolarHBondContact CB-O 3.33Å; P48-F238 HydrophobicContact CB-CB 4.49Å; P48-F238 HydrophobicContact CB-CD1 3.43Å; P48-F238 VanDerWaalsContact CB-CD1 3.43Å; P48-F238 HydrophobicContact CB-CE1 3.74Å; P48-F238 HydrophobicContact CB-CG 4.01Å; P48-F238 CarbonylContact O-C 3.54Å; P48-F238 WeakPolarHBondContact O-CA 3.06Å; P48-V239 PolarHBondContact O-N 2.57Å; P48-L324 HydrophobicContact CG-CD2 3.69Å
49	I	98.9	Very high	98.1	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	145.2	167.3	-63.7	171.5	0	0	0	106.8	V47 I71 L72 F232 V239 L241 I308 L309 L312	V47-I49 HydrophobicContact CG1-CD1 4.04Å; V47-I49 HydrophobicContact CG1-CG1 4.12Å; V47-I49 PolarHBondContact O-N 2.91Å; I49-I71 HydrophobicContact CB-CD1 4.38Å; I49-I71 HydrophobicContact CB-CG1 4.27Å; I49-I71 HydrophobicContact CB-CG2 4.04Å; I49-I71 HydrophobicContact CD1-CD1 4.4Å; I49-I71 HydrophobicContact CG2-CG2 4.06Å; I49-I71 WeakPolarHBondContact O-CG2 3.31Å; I49-L72 PolarHBondContact O-N 3.24Å; I49-F232 HydrophobicContact CG1-CE2 4.47Å; I49-F232 HydrophobicContact CG1-CZ 4.31Å; I49-V239 CarbonylContact C-O 3.51Å; I49-V239 WeakPolarHBondContact CA-O 3.28Å; I49-L241 HydrophobicContact CG2-CD1 3.75Å; I49-L241 HydrophobicContact CG2-CG 4.16Å; I49-I308 HydrophobicContact CD1-CG2 3.69Å; I49-L309 HydrophobicContact CD1-CD2 3.92Å; I49-L312 HydrophobicContact CD1-CD1 3.94Å
50	I	98.9	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126	179.6	-45.4	-174.6	0	0	0	109.5	L72 A74 M100 V217 F238 V239 M240 L241	I50-L72 CarbonylContact C-O 3.52Å; I50-L72 VanDerWaalsContact CA-O 3.29Å; I50-L72 WeakPolarHBondContact CA-O 3.49Å; I50-L72 HydrophobicContact CB-CB 4.39Å; I50-L72 HydrophobicContact CD1-CD1 4.41Å; I50-L72 HydrophobicContact CG1-CB 4.05Å; I50-L72 HydrophobicContact CG1-CD1 4.31Å; I50-L72 HydrophobicContact CG2-CB 4.16Å; I50-A74 HydrophobicContact CG2-CB 3.99Å; I50-M100 HydrophobicContact CD1-SD 4.07Å; I50-M100 HydrophobicContact CG2-SD 3.87Å; I50-V217 HydrophobicContact CD1-CG2 4.02Å; I50-F238 HydrophobicContact CD1-CB 3.89Å; I50-F238 HydrophobicContact CD1-CD1 3.97Å; I50-F238 HydrophobicContact CD1-CG 4.09Å; I50-F238 HydrophobicContact CG1-CB 4.18Å; I50-F238 HydrophobicContact CG1-CD1 4.12Å; I50-V239 PolarHBondContact N-O 3.33Å; I50-M240 HydrophobicContact CB-CB 4.22Å; I50-M240 HydrophobicContact CB-CE 4.12Å; I50-M240 HydrophobicContact CB-CG 4.38Å; I50-M240 HydrophobicContact CD1-CE 4.48Å; I50-M240 HydrophobicContact CG2-CE 3.63Å; I50-M240 CarbonylContact O-C 3.59Å; I50-M240 VanDerWaalsContact O-CA 3.25Å; I50-M240 WeakPolarHBondContact O-CA 3.47Å; I50-L241 PolarHBondContact O-N 3.49Å
51	A	98.9	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.3	165	0	0	0	0	0	110.2	V57 M62 L66 L72 T73 A74 L245	A51-V57 HydrophobicContact CB-CG1 4.21Å; A51-M62 HydrophobicContact CB-CG 3.97Å; A51-L66 HydrophobicContact CB-CD1 3.65Å; A51-L72 PolarHBondContact N-O 3.37Å; A51-T73 HydrophobicContact CB-CG2 4Å; A51-A74 PolarHBondContact O-N 3.35Å; A51-L245 HydrophobicContact CB-CD1 3.7Å
52	A	98.8	Very high	98.2	Very high	3 Å²	3	17 Å²	17	3%	0.025	10%	0.101	C	C	.	.			trans	-64.9	145.8	-174.2	0	0	0	0	0	112.6	M54 G58 M240 L241	A52-M54 HydrophobicContact CB-CG 4.13Å; A52-M54 HydrophobicContact CB-SD 4.39Å; A52-M54 PolarHBondContact O-N 3.29Å; A52-G58 VanDerWaalsContact O-CA 3.29Å; A52-G58 WeakPolarHBondContact O-CA 3.31Å; A52-G58 PolarHBondContact O-N 2.91Å; A52-M240 HydrophobicContact CB-CG 3.75Å; A52-M240 HydrophobicContact CB-SD 3.99Å; A52-L241 WeakPolarHBondContact CB-O 3.48Å; A52-L241 PolarHBondContact N-O 3.04Å
53	N	98.5	Very high	98.2	Very high	16 Å²	16	14.1 Å²	14.1	9%	0.086	9%	0.088	C	C	.	.	S	Bend	trans	-73.8	36.8	-179.4	62.3	-55.3	0	0	0	114.9	A74 H76 S102 D129	N53-A74 WeakPolarHBondContact CA-O 3.45Å; N53-A74 HydrophobicContact CB-CB 3.85Å; N53-A74 WeakPolarHBondContact CB-O 3.36Å; N53-A74 PolarHBondContact N-O 3.42Å; N53-H76 WeakPolarHBondContact O-CB 3.29Å; N53-S102 WeakPolarHBondContact CB-OG 3.32Å; N53-D129 WeakPolarHBondContact ND2-CB 3.46Å; N53-D129 PolarHBondContact ND2-OD2 3.41Å
54	M	97.7	Very high	98.3	Very high	25 Å²	25	12.7 Å²	12.7	12%	0.123	8%	0.078	C	C	.	.			trans	-87.6	143	172.7	-54	178.7	66.5	0	0	109.4	A52 T56 V57 G58 V185 F266 Y267 M269	A52-M54 HydrophobicContact CB-CG 4.13Å; A52-M54 HydrophobicContact CB-SD 4.39Å; A52-M54 PolarHBondContact O-N 3.29Å; M54-T56 PolarHBondContact O-N 3.11Å; M54-T56 VanDerWaalsContact O-N 3.11Å; M54-V57 HydrophobicContact CB-CB 4.21Å; M54-V57 HydrophobicContact CB-CG2 4.24Å; M54-V57 PolarHBondContact O-N 2.83Å; M54-V57 HydrophobicContact SD-CG2 4.44Å; M54-G58 PolarHBondContact O-N 3.31Å; M54-V185 HydrophobicContact CE-CG2 3.83Å; M54-F266 HydrophobicContact CE-CD2 4.31Å; M54-F266 HydrophobicContact CE-CE2 3.36Å; M54-F266 HydrophobicContact CE-CZ 3.68Å; M54-F266 HydrophobicContact SD-CE2 3.76Å; M54-F266 HydrophobicContact SD-CZ 3.92Å; M54-Y267 WeakPolarHBondContact CE-O 3.45Å; M54-M269 HydrophobicContact CB-CG 4.41Å; M54-M269 HydrophobicContact CB-SD 4.14Å; M54-M269 HydrophobicContact CG-CG 4.28Å
55	D	95.6	Very high	98.3	Very high	7 Å²	7	12.9 Å²	12.9	4%	0.037	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.2	179.2	66.5	-18.1	0	0	0	113.7	H76 Y267 M269 R277 H278	D55-H76 HydrophobicContact CB-CB 4.42Å; D55-Y267 VanDerWaalsContact CG-OH 3.25Å; D55-Y267 WeakPolarHBondContact OD1-CE2 3.23Å; D55-Y267 PolarHBondContact OD1-OH 3.48Å; D55-Y267 WeakPolarHBondContact OD2-CE2 3.24Å; D55-Y267 PolarHBondContact OD2-OH 3.01Å; D55-M269 HydrophobicContact CB-CE 4.38Å; D55-M269 HydrophobicContact CB-SD 4.44Å; D55-R277 IonicContact OD2-NH1 3.34Å; D55-H278 IonicContact OD2-CD2 3.98Å; D55-H278 IonicContact OD2-CE1 2.8Å; D55-H278 IonicContact OD2-NE2 3.61Å; D55-H278 PolarHBondContact OD2-NE2 3.25Å
56	T	97	Very high	98.4	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.012	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.3	173.3	57.7	0	0	0	0	114.4	M54 S251 G252 F266 Y267	M54-T56 PolarHBondContact O-N 3.11Å; M54-T56 VanDerWaalsContact O-N 3.11Å; T56-S251 WeakPolarHBondContact O-CA 3.45Å; T56-S251 VanDerWaalsContact O-CB 3.24Å; T56-S251 WeakPolarHBondContact O-CB 3.45Å; T56-G252 PolarHBondContact O-N 2.67Å; T56-G252 VanDerWaalsContact O-N 3.12Å; T56-F266 VanDerWaalsContact OG1-CD2 3.23Å; T56-F266 WeakPolarHBondContact OG1-CD2 3.49Å; T56-Y267 HydrophobicContact CG2-CD1 4.21Å; T56-Y267 HydrophobicContact CG2-CE1 3.77Å; T56-Y267 HydrophobicContact CG2-CE2 4.3Å
57	V	98.5	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-60.9	-174.3	-179.4	0	0	0	0	111.7	A51 M54 T59 M62 L245 A246 F266	A51-V57 HydrophobicContact CB-CG1 4.21Å; M54-V57 HydrophobicContact CB-CB 4.21Å; M54-V57 HydrophobicContact CB-CG2 4.24Å; M54-V57 PolarHBondContact O-N 2.83Å; M54-V57 HydrophobicContact SD-CG2 4.44Å; V57-T59 PolarHBondContact O-N 3.19Å; V57-M62 WeakPolarHBondContact O-CB 3.43Å; V57-M62 VanDerWaalsContact O-CG 3.3Å; V57-M62 WeakPolarHBondContact O-CG 3.38Å; V57-L245 HydrophobicContact CG1-CB 3.89Å; V57-A246 HydrophobicContact CG2-CB 4.11Å; V57-F266 HydrophobicContact CG2-CE2 3.92Å
58	G	98.7	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-78	58.6	-175.6	0	0	0	0	0	112.7	A52 M54 V75 H76	A52-G58 VanDerWaalsContact O-CA 3.29Å; A52-G58 WeakPolarHBondContact O-CA 3.31Å; A52-G58 PolarHBondContact O-N 2.91Å; M54-G58 PolarHBondContact O-N 3.31Å; G58-V75 CarbonylContact O-C 3.48Å; G58-V75 VanDerWaalsContact O-CA 3.27Å; G58-V75 WeakPolarHBondContact O-CA 3.37Å; G58-H76 PolarHBondContact O-CD2 2.96Å; G58-H76 PolarHBondContact O-N 3.02Å
59	T	98.7	Very high	98.3	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.018	11%	0.107	C	C	.	.			trans	-89.7	165.7	178.3	62.8	0	0	0	0	111.1	V57 S61 M62 A63 E250	V57-T59 PolarHBondContact O-N 3.19Å; T59-S61 VanDerWaalsContact C-N 3.33Å; T59-S61 PolarHBondContact O-N 3.47Å; T59-S61 PolarHBondContact OG1-OG 3.16Å; T59-M62 PolarHBondContact O-N 3.49Å; T59-M62 VanDerWaalsContact OG1-CB 3.25Å; T59-M62 WeakPolarHBondContact OG1-CB 3.11Å; T59-M62 PolarHBondContact OG1-N 3.04Å; T59-A63 PolarHBondContact O-N 3.05Å; T59-E250 PolarHBondContact OG1-O 2.89Å
60	F	98.7	Very high	98.2	Very high	24 Å²	24	19.1 Å²	19.1	11%	0.105	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-36.8	172.2	-68.6	-43.3	0	0	0	112.9	M62 A63 S64 V75 Y79 E83 W84 F87	F60-M62 VanDerWaalsContact C-N 3.33Å; F60-M62 PolarHBondContact O-N 3.06Å; F60-A63 WeakPolarHBondContact O-CB 3.44Å; F60-A63 PolarHBondContact O-N 3.25Å; F60-S64 PolarHBondContact O-N 2.81Å; F60-S64 PolarHBondContact O-OG 3.08Å; F60-V75 HydrophobicContact CD1-CG1 4.09Å; F60-V75 HydrophobicContact CD1-CG2 4.29Å; F60-V75 HydrophobicContact CE1-CG1 3.75Å; F60-V75 HydrophobicContact CE1-CG2 4.39Å; F60-V75 HydrophobicContact CZ-CG1 4.39Å; F60-Y79 HydrophobicContact CB-CE2 4.46Å; F60-Y79 HydrophobicContact CD1-CD2 4.32Å; F60-Y79 HydrophobicContact CD1-CE2 4.14Å; F60-Y79 HydrophobicContact CD2-CD1 4.18Å; F60-Y79 AromaticContact CD2-CD2 3.69Å; F60-Y79 HydrophobicContact CD2-CD2 3.69Å; F60-Y79 AromaticContact CD2-CE1 3.93Å; F60-Y79 HydrophobicContact CD2-CE1 3.93Å; F60-Y79 AromaticContact CD2-CE2 3.39Å; F60-Y79 HydrophobicContact CD2-CE2 3.39Å; F60-Y79 HydrophobicContact CD2-CG 4.07Å; F60-Y79 AromaticContact CD2-CZ 3.52Å; F60-Y79 AromaticContact CE1-CD2 3.94Å; F60-Y79 HydrophobicContact CE1-CD2 3.94Å; F60-Y79 HydrophobicContact CE1-CE2 4.22Å; F60-Y79 AromaticContact CE2-CD1 3.73Å; F60-Y79 HydrophobicContact CE2-CD1 3.73Å; F60-Y79 AromaticContact CE2-CD2 3.23Å; F60-Y79 HydrophobicContact CE2-CD2 3.23Å; F60-Y79 AromaticContact CE2-CE1 3.97Å; F60-Y79 HydrophobicContact CE2-CE1 3.97Å; F60-Y79 AromaticContact CE2-CE2 3.5Å; F60-Y79 HydrophobicContact CE2-CE2 3.5Å; F60-Y79 VanDerWaalsContact CE2-CE2 3.5Å; F60-Y79 AromaticContact CE2-CG 3.35Å; F60-Y79 HydrophobicContact CE2-CG 3.35Å; F60-Y79 AromaticContact CE2-CZ 3.86Å; F60-Y79 HydrophobicContact CG-CD2 4.21Å; F60-Y79 AromaticContact CG-CE2 3.73Å; F60-Y79 HydrophobicContact CG-CE2 3.73Å; F60-Y79 AromaticContact CZ-CD2 3.36Å; F60-Y79 HydrophobicContact CZ-CD2 3.36Å; F60-Y79 AromaticContact CZ-CE2 3.91Å; F60-Y79 HydrophobicContact CZ-CE2 3.91Å; F60-Y79 AromaticContact CZ-CG 3.71Å; F60-Y79 HydrophobicContact CZ-CG 3.71Å; F60-E83 HydrophobicContact CE2-CB 4.22Å; F60-W84 AromaticContact CE1-CD2 3.79Å; F60-W84 HydrophobicContact CE1-CD2 3.79Å; F60-W84 AromaticContact CE1-CE2 3.89Å; F60-W84 AromaticContact CE1-CE3 3.77Å; F60-W84 HydrophobicContact CE1-CE3 3.77Å; F60-W84 HydrophobicContact CE1-CG 4.47Å; F60-W84 HydrophobicContact CE1-CH2 4Å; F60-W84 HydrophobicContact CE1-CZ2 4.01Å; F60-W84 AromaticContact CE1-CZ3 3.88Å; F60-W84 HydrophobicContact CE1-CZ3 3.88Å; F60-W84 AromaticContact CZ-CD2 3.66Å; F60-W84 HydrophobicContact CZ-CD2 3.66Å; F60-W84 AromaticContact CZ-CE2 3.83Å; F60-W84 HydrophobicContact CZ-CE3 4.05Å; F60-W84 AromaticContact CZ-CG 3.87Å; F60-W84 HydrophobicContact CZ-CG 3.87Å; F60-W84 HydrophobicContact CZ-CZ2 4.39Å; F60-F87 HydrophobicContact CB-CD2 3.53Å; F60-F87 HydrophobicContact CB-CE2 3.75Å; F60-F87 HydrophobicContact CB-CG 4.15Å; F60-F87 HydrophobicContact CD1-CB 3.92Å; F60-F87 AromaticContact CD1-CD1 3.45Å; F60-F87 HydrophobicContact CD1-CD1 3.45Å; F60-F87 VanDerWaalsContact CD1-CD1 3.45Å; F60-F87 AromaticContact CD1-CD2 3.57Å; F60-F87 HydrophobicContact CD1-CD2 3.57Å; F60-F87 AromaticContact CD1-CE1 3.74Å; F60-F87 HydrophobicContact CD1-CE1 3.74Å; F60-F87 AromaticContact CD1-CE2 3.84Å; F60-F87 HydrophobicContact CD1-CE2 3.84Å; F60-F87 AromaticContact CD1-CG 3.34Å; F60-F87 HydrophobicContact CD1-CG 3.34Å; F60-F87 AromaticContact CD1-CZ 3.92Å; F60-F87 HydrophobicContact CD1-CZ 3.92Å; F60-F87 HydrophobicContact CD2-CB 3.92Å; F60-F87 HydrophobicContact CD2-CD2 4.31Å; F60-F87 HydrophobicContact CD2-CG 4.15Å; F60-F87 HydrophobicContact CE1-CB 3.91Å; F60-F87 AromaticContact CE1-CD1 3.49Å; F60-F87 HydrophobicContact CE1-CD1 3.49Å; F60-F87 VanDerWaalsContact CE1-CD1 3.49Å; F60-F87 HydrophobicContact CE1-CD2 4.34Å; F60-F87 HydrophobicContact CE1-CE1 4.05Å; F60-F87 AromaticContact CE1-CG 3.65Å; F60-F87 HydrophobicContact CE1-CG 3.65Å; F60-F87 HydrophobicContact CE2-CB 3.91Å; F60-F87 HydrophobicContact CE2-CG 4.4Å; F60-F87 HydrophobicContact CG-CB 3.94Å; F60-F87 HydrophobicContact CG-CD1 4.23Å; F60-F87 AromaticContact CG-CD2 3.55Å; F60-F87 HydrophobicContact CG-CD2 3.55Å; F60-F87 HydrophobicContact CG-CE2 4.05Å; F60-F87 AromaticContact CG-CG 3.63Å; F60-F87 HydrophobicContact CG-CG 3.63Å; F60-F87 HydrophobicContact CZ-CB 3.91Å; F60-F87 HydrophobicContact CZ-CD1 4.29Å; F60-F87 HydrophobicContact CZ-CG 4.18Å
61	S	98.4	Very high	98.2	Very high	58 Å²	58	19.3 Å²	19.3	41%	0.406	12%	0.121	S	C	.	.	H	α-helix	trans	-62.7	-40.7	174.7	42.2	0	0	0	0	111.8	T59 S64 A65 E250	T59-S61 VanDerWaalsContact C-N 3.33Å; T59-S61 PolarHBondContact O-N 3.47Å; T59-S61 PolarHBondContact OG1-OG 3.16Å; S61-S64 PolarHBondContact O-N 2.88Å; S61-A65 WeakPolarHBondContact O-CB 3.34Å; S61-A65 PolarHBondContact O-N 2.89Å; S61-E250 PolarHBondContact OG-O 2.92Å
62	M	98.7	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-43.8	175.2	-171.9	66.6	68.5	0	0	110.9	A51 V57 T59 F60 S64 A65 L66 L245 E250 V301	A51-M62 HydrophobicContact CB-CG 3.97Å; V57-M62 WeakPolarHBondContact O-CB 3.43Å; V57-M62 VanDerWaalsContact O-CG 3.3Å; V57-M62 WeakPolarHBondContact O-CG 3.38Å; T59-M62 PolarHBondContact O-N 3.49Å; T59-M62 VanDerWaalsContact OG1-CB 3.25Å; T59-M62 WeakPolarHBondContact OG1-CB 3.11Å; T59-M62 PolarHBondContact OG1-N 3.04Å; F60-M62 VanDerWaalsContact C-N 3.33Å; F60-M62 PolarHBondContact O-N 3.06Å; M62-S64 PolarHBondContact O-N 2.76Å; M62-A65 PolarHBondContact O-N 3.43Å; M62-L66 HydrophobicContact CG-CD1 3.66Å; M62-L66 HydrophobicContact CG-CG 4.19Å; M62-L66 WeakPolarHBondContact O-CB 3.42Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.39Å; M62-L66 HydrophobicContact SD-CD1 3.71Å; M62-L66 HydrophobicContact SD-CG 3.94Å; M62-L245 HydrophobicContact CE-CB 4.44Å; M62-L245 WeakPolarHBondContact CE-O 3.4Å; M62-E250 HydrophobicContact CB-CB 4.38Å; M62-E250 HydrophobicContact CE-CB 4.04Å; M62-E250 HydrophobicContact SD-CB 4.34Å; M62-V301 HydrophobicContact CE-CB 4.39Å; M62-V301 HydrophobicContact CE-CG2 4.17Å; M62-V301 HydrophobicContact SD-CB 4.01Å; M62-V301 HydrophobicContact SD-CG1 3.88Å; M62-V301 HydrophobicContact SD-CG2 3.66Å
63	A	98.7	Very high	98.2	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-48.4	176.5	0	0	0	0	0	112.3	T59 F60 A65 A67 T73 V75 F87 V99	T59-A63 PolarHBondContact O-N 3.05Å; F60-A63 WeakPolarHBondContact O-CB 3.44Å; F60-A63 PolarHBondContact O-N 3.25Å; A63-A65 PolarHBondContact O-N 2.76Å; A63-A67 VanDerWaalsContact O-CB 3.25Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 3.42Å; A63-T73 WeakPolarHBondContact CA-OG1 3.47Å; A63-T73 HydrophobicContact CB-CG2 3.9Å; A63-V75 HydrophobicContact CB-CG2 4.5Å; A63-F87 HydrophobicContact CB-CZ 4.18Å; A63-V99 HydrophobicContact CB-CG2 3.95Å
64	S	98.3	Very high	98.2	Very high	55 Å²	55	18.4 Å²	18.4	39%	0.385	12%	0.116	S	C	.	.	H	α-helix	trans	-62.6	-41.2	178	-63.1	0	0	0	0	112.8	F60 S61 M62	F60-S64 PolarHBondContact O-N 2.81Å; F60-S64 PolarHBondContact O-OG 3.08Å; S61-S64 PolarHBondContact O-N 2.88Å; M62-S64 PolarHBondContact O-N 2.76Å
65	A	98.4	Very high	98.3	Very high	24 Å²	24	17.2 Å²	17.2	20%	0.198	11%	0.11	C	C	.	.	H	α-helix	trans	-69.9	-46.3	-180	0	0	0	0	0	112.1	S61 M62 A63 A67 S68 E250 V301	S61-A65 WeakPolarHBondContact O-CB 3.34Å; S61-A65 PolarHBondContact O-N 2.89Å; M62-A65 PolarHBondContact O-N 3.43Å; A63-A65 PolarHBondContact O-N 2.76Å; A65-A67 PolarHBondContact O-N 3.1Å; A65-S68 PolarHBondContact O-N 3.34Å; A65-S68 PolarHBondContact O-OG 2.89Å; A65-E250 HydrophobicContact CB-CG 3.9Å; A65-V301 HydrophobicContact CB-CG1 3.71Å
66	L	98.7	Very high	98.4	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-73.3	-25.5	-177.5	-70.1	-177.2	0	0	0	113.5	A51 M62 S68 F69 D70 I71 L245 V301 A305	A51-L66 HydrophobicContact CB-CD1 3.65Å; M62-L66 HydrophobicContact CG-CD1 3.66Å; M62-L66 HydrophobicContact CG-CG 4.19Å; M62-L66 WeakPolarHBondContact O-CB 3.42Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.39Å; M62-L66 HydrophobicContact SD-CD1 3.71Å; M62-L66 HydrophobicContact SD-CG 3.94Å; L66-S68 PolarHBondContact O-N 3.49Å; L66-F69 WeakPolarHBondContact O-CA 3.23Å; L66-F69 PolarHBondContact O-N 3.1Å; L66-D70 PolarHBondContact O-N 3.33Å; L66-I71 HydrophobicContact CB-CB 4Å; L66-I71 HydrophobicContact CB-CG2 3.96Å; L66-I71 HydrophobicContact CD1-CG2 3.9Å; L66-I71 HydrophobicContact CD2-CD1 4.36Å; L66-I71 HydrophobicContact CD2-CG2 4.38Å; L66-I71 HydrophobicContact CG-CG2 4.31Å; L66-I71 PolarHBondContact O-N 3.06Å; L66-L245 HydrophobicContact CD1-CD1 4.12Å; L66-V301 HydrophobicContact CD2-CG1 4.23Å; L66-V301 HydrophobicContact CD2-CG2 4.22Å; L66-A305 HydrophobicContact CD2-CB 4.13Å
67	A	98.1	Very high	98.4	Very high	9 Å²	9	20.5 Å²	20.5	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-58.7	-27.2	173.3	0	0	0	0	0	112.9	A63 A65 F69 D70 V95	A63-A67 VanDerWaalsContact O-CB 3.25Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 3.42Å; A65-A67 PolarHBondContact O-N 3.1Å; A67-F69 PolarHBondContact O-N 3.2Å; A67-D70 PolarHBondContact O-N 2.95Å; A67-V95 HydrophobicContact CB-CB 4.27Å; A67-V95 HydrophobicContact CB-CG1 4.46Å; A67-V95 HydrophobicContact CB-CG2 3.92Å
68	S	97.4	Very high	98.3	Very high	85 Å²	85	23.4 Å²	23.4	59%	0.594	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.1	174	71.3	0	0	0	0	114.1	A65 L66	A65-S68 PolarHBondContact O-N 3.34Å; A65-S68 PolarHBondContact O-OG 2.89Å; L66-S68 PolarHBondContact O-N 3.49Å
69	F	98.3	Very high	98.3	Very high	33 Å²	33	25.4 Å²	25.4	15%	0.145	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	10.7	172.9	-62.5	-85.7	0	0	0	112.8	V47 L66 A67 I71 E302 A305 R306 L309	V47-F69 VanDerWaalsContact CG2-O 3.24Å; V47-F69 WeakPolarHBondContact CG2-O 3.27Å; L66-F69 WeakPolarHBondContact O-CA 3.23Å; L66-F69 PolarHBondContact O-N 3.1Å; A67-F69 PolarHBondContact O-N 3.2Å; F69-I71 HydrophobicContact CB-CD1 3.76Å; F69-I71 HydrophobicContact CB-CG1 3.89Å; F69-I71 PolarHBondContact O-N 2.93Å; F69-E302 HydrophobicContact CE2-CB 4.38Å; F69-E302 HydrophobicContact CE2-CG 3.55Å; F69-E302 HydrophobicContact CZ-CB 4.48Å; F69-E302 HydrophobicContact CZ-CG 3.4Å; F69-A305 HydrophobicContact CD1-CB 4.46Å; F69-A305 HydrophobicContact CD2-CB 3.96Å; F69-A305 HydrophobicContact CE1-CB 4.44Å; F69-A305 HydrophobicContact CE2-CB 3.96Å; F69-A305 HydrophobicContact CG-CB 4.23Å; F69-A305 HydrophobicContact CZ-CB 4.21Å; F69-R306 HydrophobicContact CE1-CG 3.91Å; F69-R306 HydrophobicContact CZ-CG 4.12Å; F69-L309 HydrophobicContact CB-CD1 4.23Å; F69-L309 HydrophobicContact CD1-CD1 3.55Å; F69-L309 HydrophobicContact CE1-CD1 4.34Å; F69-L309 HydrophobicContact CG-CD1 4.21Å
70	D	98.2	Very high	98.3	Very high	55 Å²	55	27.1 Å²	27.1	29%	0.294	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	30.9	-171.9	-53.7	-63.7	0	0	0	113.5	V47 L66 A67 K97 H98	V47-D70 PolarHBondContact N-O 3.34Å; L66-D70 PolarHBondContact O-N 3.33Å; A67-D70 PolarHBondContact O-N 2.95Å; D70-K97 IonicContact OD1-NZ 2.75Å; D70-H98 WeakPolarHBondContact CA-NE2 3.39Å; D70-H98 PolarHBondContact O-CE1 3.07Å; D70-H98 IonicContact OD1-NE2 2.69Å; D70-H98 PolarHBondContact OD1-NE2 2.91Å
71	I	98.7	Very high	98.3	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.6	-179.7	-70.6	174.8	0	0	0	109.8	V47 I49 L66 F69 L309	V47-I71 HydrophobicContact CB-CG1 3.92Å; V47-I71 HydrophobicContact CG1-CG1 4.09Å; I49-I71 HydrophobicContact CB-CD1 4.38Å; I49-I71 HydrophobicContact CB-CG1 4.27Å; I49-I71 HydrophobicContact CB-CG2 4.04Å; I49-I71 HydrophobicContact CD1-CD1 4.4Å; I49-I71 HydrophobicContact CG2-CG2 4.06Å; I49-I71 WeakPolarHBondContact O-CG2 3.31Å; L66-I71 HydrophobicContact CB-CB 4Å; L66-I71 HydrophobicContact CB-CG2 3.96Å; L66-I71 HydrophobicContact CD1-CG2 3.9Å; L66-I71 HydrophobicContact CD2-CD1 4.36Å; L66-I71 HydrophobicContact CD2-CG2 4.38Å; L66-I71 HydrophobicContact CG-CG2 4.31Å; L66-I71 PolarHBondContact O-N 3.06Å; F69-I71 HydrophobicContact CB-CD1 3.76Å; F69-I71 HydrophobicContact CB-CG1 3.89Å; F69-I71 PolarHBondContact O-N 2.93Å; I71-L309 HydrophobicContact CD1-CD2 4.42Å
72	L	98.7	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	148.6	177.6	-78.5	157.8	0	0	0	111.8	W44 I49 I50 A51 H98 M100 F125 F238	W44-L72 HydrophobicContact CH2-CD1 3.89Å; W44-L72 HydrophobicContact CH2-CG 4.29Å; W44-L72 HydrophobicContact CZ2-CD1 3.62Å; W44-L72 HydrophobicContact CZ2-CD2 4.3Å; W44-L72 HydrophobicContact CZ2-CG 3.63Å; W44-L72 HydrophobicContact CZ3-CD1 4.5Å; I49-L72 PolarHBondContact O-N 3.24Å; I50-L72 CarbonylContact C-O 3.52Å; I50-L72 VanDerWaalsContact CA-O 3.29Å; I50-L72 WeakPolarHBondContact CA-O 3.49Å; I50-L72 HydrophobicContact CB-CB 4.39Å; I50-L72 HydrophobicContact CD1-CD1 4.41Å; I50-L72 HydrophobicContact CG1-CB 4.05Å; I50-L72 HydrophobicContact CG1-CD1 4.31Å; I50-L72 HydrophobicContact CG2-CB 4.16Å; A51-L72 PolarHBondContact N-O 3.37Å; L72-H98 CarbonylContact C-O 3.6Å; L72-H98 WeakPolarHBondContact CA-O 3.26Å; L72-H98 HydrophobicContact CD2-CB 4.47Å; L72-M100 HydrophobicContact CD2-CG 4.1Å; L72-F125 HydrophobicContact CD2-CD2 4.19Å; L72-F125 HydrophobicContact CD2-CE2 4.08Å; L72-F125 HydrophobicContact CD2-CZ 4.48Å; L72-F238 HydrophobicContact CD1-CD1 4.04Å; L72-F238 HydrophobicContact CD1-CE1 3.65Å
73	T	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.1	167.2	-64	0	0	0	0	109.7	A51 A63 V75 H98 M100	A51-T73 HydrophobicContact CB-CG2 4Å; A63-T73 WeakPolarHBondContact CA-OG1 3.47Å; A63-T73 HydrophobicContact CB-CG2 3.9Å; T73-V75 HydrophobicContact CG2-CG2 4.12Å; T73-V75 PolarHBondContact O-N 2.7Å; T73-H98 PolarHBondContact N-O 3.05Å; T73-M100 PolarHBondContact O-N 2.99Å
74	A	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	103.6	166.5	0	0	0	0	0	107.6	I50 A51 N53 M100 C127 M240	I50-A74 HydrophobicContact CG2-CB 3.99Å; A51-A74 PolarHBondContact O-N 3.35Å; N53-A74 WeakPolarHBondContact CA-O 3.45Å; N53-A74 HydrophobicContact CB-CB 3.85Å; N53-A74 WeakPolarHBondContact CB-O 3.36Å; N53-A74 PolarHBondContact N-O 3.42Å; A74-M100 HydrophobicContact CB-CB 4.24Å; A74-M100 HydrophobicContact CB-CG 4.47Å; A74-M100 HydrophobicContact CB-SD 4.05Å; A74-C127 HydrophobicContact CB-CB 4.45Å; A74-M240 HydrophobicContact CB-CE 4.07Å
75	V	98.8	Very high	98.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134	-175.6	175.8	0	0	0	0	109.1	G58 F60 A63 T73 Y79 W84 V99 M100 S102	G58-V75 CarbonylContact O-C 3.48Å; G58-V75 VanDerWaalsContact O-CA 3.27Å; G58-V75 WeakPolarHBondContact O-CA 3.37Å; F60-V75 HydrophobicContact CD1-CG1 4.09Å; F60-V75 HydrophobicContact CD1-CG2 4.29Å; F60-V75 HydrophobicContact CE1-CG1 3.75Å; F60-V75 HydrophobicContact CE1-CG2 4.39Å; F60-V75 HydrophobicContact CZ-CG1 4.39Å; A63-V75 HydrophobicContact CB-CG2 4.5Å; T73-V75 HydrophobicContact CG2-CG2 4.12Å; T73-V75 PolarHBondContact O-N 2.7Å; V75-Y79 HydrophobicContact CG1-CD2 3.75Å; V75-Y79 HydrophobicContact CG1-CE2 4.02Å; V75-W84 HydrophobicContact CB-CH2 3.68Å; V75-W84 HydrophobicContact CB-CZ2 3.63Å; V75-W84 HydrophobicContact CG1-CH2 3.91Å; V75-W84 HydrophobicContact CG1-CZ2 3.47Å; V75-W84 VanDerWaalsContact CG1-CZ2 3.47Å; V75-W84 HydrophobicContact CG2-CH2 3.89Å; V75-W84 HydrophobicContact CG2-CZ2 4.31Å; V75-V99 HydrophobicContact CG2-CG1 3.81Å; V75-M100 PolarHBondContact N-O 2.75Å; V75-S102 WeakPolarHBondContact O-CB 3.13Å; V75-S102 PolarHBondContact O-N 3.01Å; V75-S102 PolarHBondContact O-OG 3.26Å
76	H	98.1	Very high	98.3	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.06	20%	0.196	C	C	.	.			trans	-60.8	151.6	-179.4	70.3	79.4	0	0	0	111.6	N53 D55 G58 H78 Y79	N53-H76 WeakPolarHBondContact O-CB 3.29Å; D55-H76 HydrophobicContact CB-CB 4.42Å; G58-H76 PolarHBondContact O-CD2 2.96Å; G58-H76 PolarHBondContact O-N 3.02Å; H76-H78 WeakPolarHBondContact ND1-CB 3.44Å; H76-H78 AromaticContact ND1-CD2 3.89Å; H76-H78 PolarHBondContact ND1-N 3.48Å; H76-H78 VanDerWaalsContact ND1-N 3.18Å; H76-H78 PolarHBondContact O-N 3.45Å; H76-Y79 AromaticContact CD2-CE2 3.9Å; H76-Y79 AromaticContact CE1-CD2 3.56Å; H76-Y79 AromaticContact CE1-CE2 3.6Å; H76-Y79 AromaticContact CE1-CG 3.86Å; H76-Y79 AromaticContact CE1-CZ 3.92Å; H76-Y79 AromaticContact NE2-CD2 3.61Å; H76-Y79 AromaticContact NE2-CE2 3.15Å; H76-Y79 WeakPolarHBondContact NE2-CE2 3.3Å; H76-Y79 AromaticContact NE2-CZ 3.42Å
77	K	97.1	Very high	98.3	Very high	65 Å²	65	37.6 Å²	37.6	28%	0.283	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	15.7	-171.9	71.2	173.7	-172.4	172.6	0	115.7	S102 D109 K112	K77-S102 WeakPolarHBondContact CB-O 3.32Å; K77-D109 IonicContact NZ-OD1 3.77Å; K77-D109 IonicContact NZ-OD2 2.66Å; K77-D109 PolarHBondContact NZ-OD2 2.91Å; K77-K112 PolarHBondContact O-NZ 3.35Å
78	H	96.7	Very high	98.3	Very high	60 Å²	60	37.7 Å²	37.7	28%	0.278	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-8.7	-168.8	-59.7	-74.4	0	0	0	114.8	H76 M269 H278	H76-H78 WeakPolarHBondContact ND1-CB 3.44Å; H76-H78 AromaticContact ND1-CD2 3.89Å; H76-H78 PolarHBondContact ND1-N 3.48Å; H76-H78 VanDerWaalsContact ND1-N 3.18Å; H76-H78 PolarHBondContact O-N 3.45Å; H78-M269 WeakPolarHBondContact NE2-CE 3.26Å; H78-H278 AromaticContact CD2-CE1 3.72Å; H78-H278 AromaticContact CD2-NE2 3.75Å; H78-H278 AromaticContact CE1-CD2 3.65Å; H78-H278 AromaticContact CE1-CE1 3.97Å; H78-H278 AromaticContact CE1-CG 3.34Å; H78-H278 AromaticContact CE1-ND1 3.6Å; H78-H278 AromaticContact CG-CE1 3.53Å; H78-H278 AromaticContact CG-ND1 3.61Å; H78-H278 AromaticContact ND1-CE1 3.7Å; H78-H278 AromaticContact ND1-CG 3.55Å; H78-H278 AromaticContact ND1-ND1 3.29Å; H78-H278 PolarHBondContact ND1-ND1 3.45Å; H78-H278 AromaticContact NE2-CD2 3.65Å; H78-H278 AromaticContact NE2-CG 3.83Å; H78-H278 AromaticContact NE2-NE2 3.78Å
79	Y	98	Very high	98.3	Very high	43 Å²	43	39.2 Å²	39.2	17%	0.169	20%	0.2	C	C	.	.	S	Bend	trans	-68.9	145.3	168.3	-70.2	-57.7	0	0	0	111.2	F60 V75 H76 E83	F60-Y79 HydrophobicContact CB-CE2 4.46Å; F60-Y79 HydrophobicContact CD1-CD2 4.32Å; F60-Y79 HydrophobicContact CD1-CE2 4.14Å; F60-Y79 HydrophobicContact CD2-CD1 4.18Å; F60-Y79 AromaticContact CD2-CD2 3.69Å; F60-Y79 HydrophobicContact CD2-CD2 3.69Å; F60-Y79 AromaticContact CD2-CE1 3.93Å; F60-Y79 HydrophobicContact CD2-CE1 3.93Å; F60-Y79 AromaticContact CD2-CE2 3.39Å; F60-Y79 HydrophobicContact CD2-CE2 3.39Å; F60-Y79 HydrophobicContact CD2-CG 4.07Å; F60-Y79 AromaticContact CD2-CZ 3.52Å; F60-Y79 AromaticContact CE1-CD2 3.94Å; F60-Y79 HydrophobicContact CE1-CD2 3.94Å; F60-Y79 HydrophobicContact CE1-CE2 4.22Å; F60-Y79 AromaticContact CE2-CD1 3.73Å; F60-Y79 HydrophobicContact CE2-CD1 3.73Å; F60-Y79 AromaticContact CE2-CD2 3.23Å; F60-Y79 HydrophobicContact CE2-CD2 3.23Å; F60-Y79 AromaticContact CE2-CE1 3.97Å; F60-Y79 HydrophobicContact CE2-CE1 3.97Å; F60-Y79 AromaticContact CE2-CE2 3.5Å; F60-Y79 HydrophobicContact CE2-CE2 3.5Å; F60-Y79 VanDerWaalsContact CE2-CE2 3.5Å; F60-Y79 AromaticContact CE2-CG 3.35Å; F60-Y79 HydrophobicContact CE2-CG 3.35Å; F60-Y79 AromaticContact CE2-CZ 3.86Å; F60-Y79 HydrophobicContact CG-CD2 4.21Å; F60-Y79 AromaticContact CG-CE2 3.73Å; F60-Y79 HydrophobicContact CG-CE2 3.73Å; F60-Y79 AromaticContact CZ-CD2 3.36Å; F60-Y79 HydrophobicContact CZ-CD2 3.36Å; F60-Y79 AromaticContact CZ-CE2 3.91Å; F60-Y79 HydrophobicContact CZ-CE2 3.91Å; F60-Y79 AromaticContact CZ-CG 3.71Å; F60-Y79 HydrophobicContact CZ-CG 3.71Å; V75-Y79 HydrophobicContact CG1-CD2 3.75Å; V75-Y79 HydrophobicContact CG1-CE2 4.02Å; H76-Y79 AromaticContact CD2-CE2 3.9Å; H76-Y79 AromaticContact CE1-CD2 3.56Å; H76-Y79 AromaticContact CE1-CE2 3.6Å; H76-Y79 AromaticContact CE1-CG 3.86Å; H76-Y79 AromaticContact CE1-CZ 3.92Å; H76-Y79 AromaticContact NE2-CD2 3.61Å; H76-Y79 AromaticContact NE2-CE2 3.15Å; H76-Y79 WeakPolarHBondContact NE2-CE2 3.3Å; H76-Y79 AromaticContact NE2-CZ 3.42Å; Y79-E83 VanDerWaalsContact CA-OE2 3.26Å; Y79-E83 WeakPolarHBondContact CA-OE2 3.17Å; Y79-E83 HydrophobicContact CD1-CB 4.17Å; Y79-E83 HydrophobicContact CD1-CG 4.5Å; Y79-E83 WeakPolarHBondContact CD1-OE2 3.29Å; Y79-E83 HydrophobicContact CG-CB 4.47Å
80	S	98.1	Very high	98.3	Very high	39 Å²	39	44.4 Å²	44.4	27%	0.273	23%	0.229	S	C	.	.			trans	-74.7	166.7	173.1	89.9	0	0	0	0	111.4	E82 E83 W84	S80-E82 WeakPolarHBondContact CB-OE2 3.25Å; S80-E82 PolarHBondContact O-N 3.12Å; S80-E82 PolarHBondContact OG-N 3.29Å; S80-E82 PolarHBondContact OG-OE2 3.22Å; S80-E83 PolarHBondContact N-OE2 3.33Å; S80-E83 PolarHBondContact O-N 3.02Å; S80-E83 PolarHBondContact OG-N 2.95Å; S80-W84 VanDerWaalsContact O-CD1 3.29Å; S80-W84 PolarHBondContact O-N 3.28Å
81	V	98.5	Very high	98.3	Very high	26 Å²	26	42.9 Å²	42.9	16%	0.158	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-35.5	176.8	-178.6	0	0	0	0	110.5	W84 Q85 K112 Q115 I116 L119	V81-W84 WeakPolarHBondContact O-CB 3.49Å; V81-W84 PolarHBondContact O-N 3.02Å; V81-Q85 PolarHBondContact O-N 2.84Å; V81-K112 HydrophobicContact CG2-CG 4.03Å; V81-Q115 HydrophobicContact CG1-CB 4.28Å; V81-Q115 HydrophobicContact CG2-CB 4.08Å; V81-I116 HydrophobicContact CG2-CG1 4.28Å; V81-L119 HydrophobicContact CG1-CD1 4.08Å; V81-L119 HydrophobicContact CG1-CD2 4.26Å
82	E	98.5	Very high	98.1	Very high	136 Å²	136	45.6 Å²	45.6	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-66.4	-40.8	176.6	-57.5	72	-156.5	0	0	111.9	S80 Q85 A86	S80-E82 WeakPolarHBondContact CB-OE2 3.25Å; S80-E82 PolarHBondContact O-N 3.12Å; S80-E82 PolarHBondContact OG-N 3.29Å; S80-E82 PolarHBondContact OG-OE2 3.22Å; E82-Q85 PolarHBondContact O-N 3.23Å; E82-A86 WeakPolarHBondContact O-CB 3.38Å; E82-A86 PolarHBondContact O-N 3.34Å
83	E	98.7	Very high	98	Very high	89 Å²	89	49.2 Å²	49.2	42%	0.416	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-40.1	175.2	-68.6	176.3	117	0	0	111.2	F60 Y79 S80 A86 F87	F60-E83 HydrophobicContact CE2-CB 4.22Å; Y79-E83 VanDerWaalsContact CA-OE2 3.26Å; Y79-E83 WeakPolarHBondContact CA-OE2 3.17Å; Y79-E83 HydrophobicContact CD1-CB 4.17Å; Y79-E83 HydrophobicContact CD1-CG 4.5Å; Y79-E83 WeakPolarHBondContact CD1-OE2 3.29Å; Y79-E83 HydrophobicContact CG-CB 4.47Å; S80-E83 PolarHBondContact N-OE2 3.33Å; S80-E83 PolarHBondContact O-N 3.02Å; S80-E83 PolarHBondContact OG-N 2.95Å; E83-A86 PolarHBondContact O-N 3.47Å; E83-F87 WeakPolarHBondContact O-CB 3.16Å; E83-F87 PolarHBondContact O-N 2.66Å
84	W	98.7	Very high	97.8	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.011	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-46.1	171.1	-88	99.2	0	0	0	112.3	F60 V75 S80 V81 A86 F87 I88 V99 V101 I116 L119 L123	F60-W84 AromaticContact CE1-CD2 3.79Å; F60-W84 HydrophobicContact CE1-CD2 3.79Å; F60-W84 AromaticContact CE1-CE2 3.89Å; F60-W84 AromaticContact CE1-CE3 3.77Å; F60-W84 HydrophobicContact CE1-CE3 3.77Å; F60-W84 HydrophobicContact CE1-CG 4.47Å; F60-W84 HydrophobicContact CE1-CH2 4Å; F60-W84 HydrophobicContact CE1-CZ2 4.01Å; F60-W84 AromaticContact CE1-CZ3 3.88Å; F60-W84 HydrophobicContact CE1-CZ3 3.88Å; F60-W84 AromaticContact CZ-CD2 3.66Å; F60-W84 HydrophobicContact CZ-CD2 3.66Å; F60-W84 AromaticContact CZ-CE2 3.83Å; F60-W84 HydrophobicContact CZ-CE3 4.05Å; F60-W84 AromaticContact CZ-CG 3.87Å; F60-W84 HydrophobicContact CZ-CG 3.87Å; F60-W84 HydrophobicContact CZ-CZ2 4.39Å; V75-W84 HydrophobicContact CB-CH2 3.68Å; V75-W84 HydrophobicContact CB-CZ2 3.63Å; V75-W84 HydrophobicContact CG1-CH2 3.91Å; V75-W84 HydrophobicContact CG1-CZ2 3.47Å; V75-W84 VanDerWaalsContact CG1-CZ2 3.47Å; V75-W84 HydrophobicContact CG2-CH2 3.89Å; V75-W84 HydrophobicContact CG2-CZ2 4.31Å; S80-W84 VanDerWaalsContact O-CD1 3.29Å; S80-W84 PolarHBondContact O-N 3.28Å; V81-W84 WeakPolarHBondContact O-CB 3.49Å; V81-W84 PolarHBondContact O-N 3.02Å; W84-A86 VanDerWaalsContact C-N 3.31Å; W84-A86 PolarHBondContact O-N 3.03Å; W84-F87 HydrophobicContact CE3-CD1 4.28Å; W84-F87 HydrophobicContact CZ3-CD1 4.35Å; W84-F87 HydrophobicContact CZ3-CE1 4.49Å; W84-F87 PolarHBondContact O-N 3.44Å; W84-I88 WeakPolarHBondContact O-CB 3.34Å; W84-I88 WeakPolarHBondContact O-CD1 3.39Å; W84-I88 WeakPolarHBondContact O-CG1 3.29Å; W84-I88 PolarHBondContact O-N 2.99Å; W84-V99 HydrophobicContact CH2-CG1 3.56Å; W84-V99 HydrophobicContact CZ3-CG1 3.65Å; W84-V101 HydrophobicContact CH2-CG2 3.86Å; W84-V101 HydrophobicContact CZ2-CG1 4.36Å; W84-V101 HydrophobicContact CZ2-CG2 4.29Å; W84-V101 HydrophobicContact CZ3-CG2 4.21Å; W84-I116 HydrophobicContact CB-CG1 4.26Å; W84-I116 HydrophobicContact CB-CG2 4.26Å; W84-I116 VanDerWaalsContact CD1-CD1 3.44Å; W84-I116 HydrophobicContact CD2-CD1 4.5Å; W84-I116 HydrophobicContact CD2-CG1 4.49Å; W84-I116 HydrophobicContact CD2-CG2 3.58Å; W84-I116 HydrophobicContact CE3-CG2 3.84Å; W84-I116 HydrophobicContact CG-CB 4.5Å; W84-I116 HydrophobicContact CG-CD1 4.07Å; W84-I116 HydrophobicContact CG-CG1 3.91Å; W84-I116 HydrophobicContact CG-CG2 3.77Å; W84-I116 HydrophobicContact CZ2-CG2 4.5Å; W84-I116 HydrophobicContact CZ3-CG2 4.4Å; W84-L119 HydrophobicContact CB-CD1 4.04Å; W84-L123 HydrophobicContact CE3-CD1 4.43Å; W84-L123 HydrophobicContact CZ3-CD1 4.35Å; W84-L123 HydrophobicContact CZ3-CD2 4.22Å
85	Q	98.5	Very high	97.7	Very high	65 Å²	65	54.6 Å²	54.6	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-43.7	176.8	-176.2	65.3	79.8	0	0	111.3	V81 E82 I88 N89 L119	V81-Q85 PolarHBondContact O-N 2.84Å; E82-Q85 PolarHBondContact O-N 3.23Å; Q85-I88 PolarHBondContact O-N 3.22Å; Q85-N89 PolarHBondContact NE2-OD1 3.42Å; Q85-N89 WeakPolarHBondContact O-CB 3.4Å; Q85-N89 PolarHBondContact O-N 3.41Å; Q85-N89 PolarHBondContact O-ND2 2.88Å; Q85-N89 PolarHBondContact O-OD1 3.33Å; Q85-L119 HydrophobicContact CB-CD1 4Å
86	A	98.6	Very high	97.6	Very high	48 Å²	48	54.9 Å²	54.9	40%	0.397	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-44.1	176.6	0	0	0	0	0	111.6	E82 E83 W84 N89 N90	E82-A86 WeakPolarHBondContact O-CB 3.38Å; E82-A86 PolarHBondContact O-N 3.34Å; E83-A86 PolarHBondContact O-N 3.47Å; W84-A86 VanDerWaalsContact C-N 3.31Å; W84-A86 PolarHBondContact O-N 3.03Å; A86-N89 PolarHBondContact O-N 2.85Å; A86-N90 PolarHBondContact O-N 3.19Å; A86-N90 PolarHBondContact O-ND2 2.85Å
87	F	98.5	Very high	97.6	Very high	17 Å²	17	57.8 Å²	57.8	8%	0.075	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-47.5	175.5	171.3	-108.9	0	0	0	111.9	F60 A63 E83 W84 N89 N90 S91 V95 L96 V99	F60-F87 HydrophobicContact CB-CD2 3.53Å; F60-F87 HydrophobicContact CB-CE2 3.75Å; F60-F87 HydrophobicContact CB-CG 4.15Å; F60-F87 HydrophobicContact CD1-CB 3.92Å; F60-F87 AromaticContact CD1-CD1 3.45Å; F60-F87 HydrophobicContact CD1-CD1 3.45Å; F60-F87 VanDerWaalsContact CD1-CD1 3.45Å; F60-F87 AromaticContact CD1-CD2 3.57Å; F60-F87 HydrophobicContact CD1-CD2 3.57Å; F60-F87 AromaticContact CD1-CE1 3.74Å; F60-F87 HydrophobicContact CD1-CE1 3.74Å; F60-F87 AromaticContact CD1-CE2 3.84Å; F60-F87 HydrophobicContact CD1-CE2 3.84Å; F60-F87 AromaticContact CD1-CG 3.34Å; F60-F87 HydrophobicContact CD1-CG 3.34Å; F60-F87 AromaticContact CD1-CZ 3.92Å; F60-F87 HydrophobicContact CD1-CZ 3.92Å; F60-F87 HydrophobicContact CD2-CB 3.92Å; F60-F87 HydrophobicContact CD2-CD2 4.31Å; F60-F87 HydrophobicContact CD2-CG 4.15Å; F60-F87 HydrophobicContact CE1-CB 3.91Å; F60-F87 AromaticContact CE1-CD1 3.49Å; F60-F87 HydrophobicContact CE1-CD1 3.49Å; F60-F87 VanDerWaalsContact CE1-CD1 3.49Å; F60-F87 HydrophobicContact CE1-CD2 4.34Å; F60-F87 HydrophobicContact CE1-CE1 4.05Å; F60-F87 AromaticContact CE1-CG 3.65Å; F60-F87 HydrophobicContact CE1-CG 3.65Å; F60-F87 HydrophobicContact CE2-CB 3.91Å; F60-F87 HydrophobicContact CE2-CG 4.4Å; F60-F87 HydrophobicContact CG-CB 3.94Å; F60-F87 HydrophobicContact CG-CD1 4.23Å; F60-F87 AromaticContact CG-CD2 3.55Å; F60-F87 HydrophobicContact CG-CD2 3.55Å; F60-F87 HydrophobicContact CG-CE2 4.05Å; F60-F87 AromaticContact CG-CG 3.63Å; F60-F87 HydrophobicContact CG-CG 3.63Å; F60-F87 HydrophobicContact CZ-CB 3.91Å; F60-F87 HydrophobicContact CZ-CD1 4.29Å; F60-F87 HydrophobicContact CZ-CG 4.18Å; A63-F87 HydrophobicContact CB-CZ 4.18Å; E83-F87 WeakPolarHBondContact O-CB 3.16Å; E83-F87 PolarHBondContact O-N 2.66Å; W84-F87 HydrophobicContact CE3-CD1 4.28Å; W84-F87 HydrophobicContact CZ3-CD1 4.35Å; W84-F87 HydrophobicContact CZ3-CE1 4.49Å; W84-F87 PolarHBondContact O-N 3.44Å; F87-N89 VanDerWaalsContact C-N 3.34Å; F87-N89 PolarHBondContact O-N 3.09Å; F87-N90 CarbonylContact O-C 3.51Å; F87-N90 PolarHBondContact O-N 3.11Å; F87-N90 VanDerWaalsContact O-N 3.15Å; F87-S91 WeakPolarHBondContact CD2-OG 3.36Å; F87-S91 WeakPolarHBondContact CE2-OG 2.96Å; F87-S91 WeakPolarHBondContact CZ-OG 3.21Å; F87-S91 VanDerWaalsContact O-CB 3.26Å; F87-S91 WeakPolarHBondContact O-CB 3.45Å; F87-S91 PolarHBondContact O-N 3.4Å; F87-S91 PolarHBondContact O-OG 2.86Å; F87-V95 HydrophobicContact CE2-CG1 4.27Å; F87-V95 HydrophobicContact CZ-CG1 3.7Å; F87-L96 HydrophobicContact CE1-CD2 4.02Å; F87-V99 HydrophobicContact CE1-CG2 4.03Å; F87-V99 HydrophobicContact CZ-CG2 4.09Å
88	I	98.4	Very high	97.6	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-45.5	178.6	-71	163	0	0	0	110.9	W84 Q85 N90 S91 L96 L119 N120 L123	W84-I88 WeakPolarHBondContact O-CB 3.34Å; W84-I88 WeakPolarHBondContact O-CD1 3.39Å; W84-I88 WeakPolarHBondContact O-CG1 3.29Å; W84-I88 PolarHBondContact O-N 2.99Å; Q85-I88 PolarHBondContact O-N 3.22Å; I88-N90 PolarHBondContact O-N 3.06Å; I88-S91 PolarHBondContact O-N 2.9Å; I88-L96 HydrophobicContact CG1-CD2 4.17Å; I88-L96 HydrophobicContact CG2-CD1 4.35Å; I88-L119 HydrophobicContact CD1-CB 3.64Å; I88-L119 HydrophobicContact CD1-CD1 3.87Å; I88-L119 HydrophobicContact CD1-CG 4.4Å; I88-N120 HydrophobicContact CD1-CB 4.2Å; I88-N120 HydrophobicContact CG2-CB 3.95Å; I88-N120 WeakPolarHBondContact CG2-ND2 3.33Å; I88-L123 HydrophobicContact CD1-CD1 4Å
89	N	97.8	Very high	97.7	Very high	116 Å²	116	51.9 Å²	51.9	62%	0.62	29%	0.289	S	S	*	.	H	α-helix	trans	-64.5	-24.2	-179.4	-70.5	-9.1	0	0	0	113.2	Q85 A86 F87	Q85-N89 PolarHBondContact NE2-OD1 3.42Å; Q85-N89 WeakPolarHBondContact O-CB 3.4Å; Q85-N89 PolarHBondContact O-N 3.41Å; Q85-N89 PolarHBondContact O-ND2 2.88Å; Q85-N89 PolarHBondContact O-OD1 3.33Å; A86-N89 PolarHBondContact O-N 2.85Å; F87-N89 VanDerWaalsContact C-N 3.34Å; F87-N89 PolarHBondContact O-N 3.09Å
90	N	97.7	Very high	97.7	Very high	143 Å²	143	49.9 Å²	49.9	77%	0.765	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	3.6	-179.3	-67.6	-67.5	0	0	0	113.4	A86 F87 I88	A86-N90 PolarHBondContact O-N 3.19Å; A86-N90 PolarHBondContact O-ND2 2.85Å; F87-N90 CarbonylContact O-C 3.51Å; F87-N90 PolarHBondContact O-N 3.11Å; F87-N90 VanDerWaalsContact O-N 3.15Å; I88-N90 PolarHBondContact O-N 3.06Å
91	S	97.7	Very high	97.7	Very high	23 Å²	23	48 Å²	48	16%	0.161	27%	0.268	C	S	.	.			trans	-106.1	142.9	-177.3	-66.7	0	0	0	0	111.6	F87 I88	F87-S91 WeakPolarHBondContact CD2-OG 3.36Å; F87-S91 WeakPolarHBondContact CE2-OG 2.96Å; F87-S91 WeakPolarHBondContact CZ-OG 3.21Å; F87-S91 VanDerWaalsContact O-CB 3.26Å; F87-S91 WeakPolarHBondContact O-CB 3.45Å; F87-S91 PolarHBondContact O-N 3.4Å; F87-S91 PolarHBondContact O-OG 2.86Å; I88-S91 PolarHBondContact O-N 2.9Å
92	S	96.4	Very high	97.8	Very high	60 Å²	60	47 Å²	47	42%	0.42	26%	0.262	S	S	.	.			trans	-74.1	162.1	170	69.5	0	0	0	0	111.1	D94 V95 L96	S92-D94 PolarHBondContact O-N 2.99Å; S92-D94 PolarHBondContact OG-N 3.38Å; S92-V95 PolarHBondContact O-N 3.1Å; S92-V95 PolarHBondContact OG-N 2.79Å; S92-L96 WeakPolarHBondContact O-CG 3.45Å; S92-L96 PolarHBondContact O-N 2.85Å; S92-L96 VanDerWaalsContact O-N 3.1Å
93	A	95.2	Very high	97.8	Very high	76 Å²	76	40.6 Å²	40.6	63%	0.628	23%	0.232	S	C	*	.	H	α-helix	trans	-57.1	-32.1	171.4	0	0	0	0	0	112.3	V95 L96 K97	A93-V95 VanDerWaalsContact C-N 3.35Å; A93-L96 PolarHBondContact O-N 3.18Å; A93-K97 PolarHBondContact O-N 3.04Å
94	D	94.3	Very high	97.7	Very high	96 Å²	96	36.6 Å²	36.6	51%	0.513	22%	0.215	S	C	.	.	H	α-helix	trans	-67.8	-30.1	176	-71.6	-43.5	0	0	0	113.6	S92 K97 H98	S92-D94 PolarHBondContact O-N 2.99Å; S92-D94 PolarHBondContact OG-N 3.38Å; D94-K97 WeakPolarHBondContact O-CG 3.12Å; D94-K97 IonicContact OD1-NZ 2.61Å; D94-K97 PolarHBondContact OD1-NZ 3.1Å; D94-H98 PolarHBondContact O-CD2 3.32Å
95	V	97.7	Very high	97.6	Very high	17 Å²	17	38.1 Å²	38.1	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-47.8	171	174.7	0	0	0	0	109.7	A67 F87 S92 A93 K97 H98 V99	A67-V95 HydrophobicContact CB-CB 4.27Å; A67-V95 HydrophobicContact CB-CG1 4.46Å; A67-V95 HydrophobicContact CB-CG2 3.92Å; F87-V95 HydrophobicContact CE2-CG1 4.27Å; F87-V95 HydrophobicContact CZ-CG1 3.7Å; S92-V95 PolarHBondContact O-N 3.1Å; S92-V95 PolarHBondContact OG-N 2.79Å; A93-V95 VanDerWaalsContact C-N 3.35Å; V95-K97 VanDerWaalsContact C-N 3.31Å; V95-K97 PolarHBondContact O-N 2.94Å; V95-H98 PolarHBondContact O-N 2.86Å; V95-V99 HydrophobicContact CG1-CG2 4.45Å; V95-V99 WeakPolarHBondContact O-CG2 3.27Å
96	L	97.5	Very high	97.6	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-33.4	-174.8	-64.1	179.2	0	0	0	113.4	F87 I88 S92 A93 H98 V99 N120 A122 L123	F87-L96 HydrophobicContact CE1-CD2 4.02Å; I88-L96 HydrophobicContact CG1-CD2 4.17Å; I88-L96 HydrophobicContact CG2-CD1 4.35Å; S92-L96 WeakPolarHBondContact O-CG 3.45Å; S92-L96 PolarHBondContact O-N 2.85Å; S92-L96 VanDerWaalsContact O-N 3.1Å; A93-L96 PolarHBondContact O-N 3.18Å; L96-H98 PolarHBondContact O-N 3.18Å; L96-H98 VanDerWaalsContact O-N 3.16Å; L96-V99 PolarHBondContact O-N 3.39Å; L96-N120 WeakPolarHBondContact CD1-ND2 3.47Å; L96-A122 HydrophobicContact CB-CB 4.39Å; L96-L123 HydrophobicContact CD2-CD2 4.2Å
97	K	96.3	Very high	97.5	Very high	73 Å²	73	40.9 Å²	40.9	32%	0.317	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.6	175.4	78.2	-171.8	-175.3	-166.8	0	113.5	W44 D70 A93 D94 V95	W44-K97 PolarHBondContact NE1-O 3.07Å; D70-K97 IonicContact OD1-NZ 2.75Å; A93-K97 PolarHBondContact O-N 3.04Å; D94-K97 WeakPolarHBondContact O-CG 3.12Å; D94-K97 IonicContact OD1-NZ 2.61Å; D94-K97 PolarHBondContact OD1-NZ 3.1Å; V95-K97 VanDerWaalsContact C-N 3.31Å; V95-K97 PolarHBondContact O-N 2.94Å
98	H	97.7	Very high	97.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	20.7	179.9	-65.3	-55.6	0	0	0	113.5	W44 D70 L72 T73 D94 V95 L96	W44-H98 AromaticContact CE2-CE1 3.93Å; W44-H98 AromaticContact CE2-ND1 3.76Å; W44-H98 AromaticContact CZ2-CE1 3.76Å; W44-H98 AromaticContact CZ2-ND1 3.56Å; W44-H98 AromaticContact NE1-CE1 3.66Å; W44-H98 AromaticContact NE1-ND1 3.38Å; W44-H98 PolarHBondContact NE1-ND1 2.9Å; D70-H98 WeakPolarHBondContact CA-NE2 3.39Å; D70-H98 PolarHBondContact O-CE1 3.07Å; D70-H98 IonicContact OD1-NE2 2.69Å; D70-H98 PolarHBondContact OD1-NE2 2.91Å; L72-H98 CarbonylContact C-O 3.6Å; L72-H98 WeakPolarHBondContact CA-O 3.26Å; L72-H98 HydrophobicContact CD2-CB 4.47Å; T73-H98 PolarHBondContact N-O 3.05Å; D94-H98 PolarHBondContact O-CD2 3.32Å; V95-H98 PolarHBondContact O-N 2.86Å; L96-H98 PolarHBondContact O-N 3.18Å; L96-H98 VanDerWaalsContact O-N 3.16Å
99	V	98.5	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.5	178.1	170.5	0	0	0	0	110.9	A63 V75 W84 F87 V95 L96 L123	A63-V99 HydrophobicContact CB-CG2 3.95Å; V75-V99 HydrophobicContact CG2-CG1 3.81Å; W84-V99 HydrophobicContact CH2-CG1 3.56Å; W84-V99 HydrophobicContact CZ3-CG1 3.65Å; F87-V99 HydrophobicContact CE1-CG2 4.03Å; F87-V99 HydrophobicContact CZ-CG2 4.09Å; V95-V99 HydrophobicContact CG1-CG2 4.45Å; V95-V99 WeakPolarHBondContact O-CG2 3.27Å; L96-V99 PolarHBondContact O-N 3.39Å; V99-L123 HydrophobicContact CB-CD2 4.39Å; V99-L123 HydrophobicContact CG1-CD2 4.13Å
100	M	98.8	Very high	97.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.1	169.2	-34.8	173.5	64.4	0	0	110.3	I50 L72 T73 A74 V75 F125 C127 C155	I50-M100 HydrophobicContact CD1-SD 4.07Å; I50-M100 HydrophobicContact CG2-SD 3.87Å; L72-M100 HydrophobicContact CD2-CG 4.1Å; T73-M100 PolarHBondContact O-N 2.99Å; A74-M100 HydrophobicContact CB-CB 4.24Å; A74-M100 HydrophobicContact CB-CG 4.47Å; A74-M100 HydrophobicContact CB-SD 4.05Å; V75-M100 PolarHBondContact N-O 2.75Å; M100-F125 HydrophobicContact CB-CB 3.65Å; M100-F125 HydrophobicContact CE-CB 4.04Å; M100-F125 HydrophobicContact CE-CD1 4.19Å; M100-F125 HydrophobicContact CE-CG 4.45Å; M100-F125 HydrophobicContact CG-CB 3.59Å; M100-F125 HydrophobicContact CG-CG 4.11Å; M100-C127 HydrophobicContact CB-CB 4.43Å; M100-C127 HydrophobicContact CE-CB 4.26Å; M100-C155 HydrophobicContact CE-CB 3.6Å
101	V	98.8	Very high	97.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.9	176.5	-176.1	0	0	0	0	108.8	W84 T113 I116 L117 L123 F125 V126 C127	W84-V101 HydrophobicContact CH2-CG2 3.86Å; W84-V101 HydrophobicContact CZ2-CG1 4.36Å; W84-V101 HydrophobicContact CZ2-CG2 4.29Å; W84-V101 HydrophobicContact CZ3-CG2 4.21Å; V101-T113 HydrophobicContact CG1-CG2 4.04Å; V101-I116 HydrophobicContact CG1-CB 4.34Å; V101-I116 HydrophobicContact CG1-CD1 4.32Å; V101-I116 HydrophobicContact CG1-CG2 3.88Å; V101-I116 HydrophobicContact CG2-CG2 3.9Å; V101-L117 HydrophobicContact CB-CD2 4.27Å; V101-L117 HydrophobicContact CG2-CD2 3.85Å; V101-L123 HydrophobicContact CG2-CB 4.43Å; V101-L123 HydrophobicContact CG2-CD1 4.08Å; V101-F125 PolarHBondContact N-O 3.38Å; V101-V126 CarbonylContact O-C 3.57Å; V101-V126 WeakPolarHBondContact O-CA 3.32Å; V101-C127 PolarHBondContact O-N 3.45Å
102	S	98.8	Very high	97.5	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	146.4	-178.6	-50.5	0	0	0	0	113.1	N53 V75 K77 C127	N53-S102 WeakPolarHBondContact CB-OG 3.32Å; V75-S102 WeakPolarHBondContact O-CB 3.13Å; V75-S102 PolarHBondContact O-N 3.01Å; V75-S102 PolarHBondContact O-OG 3.26Å; K77-S102 WeakPolarHBondContact CB-O 3.32Å; S102-C127 CarbonylContact C-O 3.6Å; S102-C127 WeakPolarHBondContact CA-O 3.32Å
103	T	98.5	Very high	97.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.9	-178.9	-160.4	0	0	0	0	112	D109 T113 V126 C127 I128 D129 F141	T103-D109 PolarHBondContact OG1-O 2.95Å; T103-T113 WeakPolarHBondContact CB-OG1 3.32Å; T103-T113 PolarHBondContact OG1-OG1 2.85Å; T103-V126 HydrophobicContact CG2-CG1 4.18Å; T103-C127 PolarHBondContact N-O 3.48Å; T103-I128 HydrophobicContact CG2-CB 4.25Å; T103-I128 HydrophobicContact CG2-CG1 3.94Å; T103-I128 HydrophobicContact CG2-CG2 4.11Å; T103-D129 PolarHBondContact O-N 2.78Å; T103-F141 HydrophobicContact CG2-CE1 4.2Å; T103-F141 HydrophobicContact CG2-CZ 4.5Å
104	G	97.1	Very high	97.8	Very high	4 Å²	4	36.7 Å²	36.7	4%	0.041	20%	0.2	C	C	.	.			trans	-96.3	-157.8	167	0	0	0	0	0	110.8	D109 F141	G104-D109 WeakPolarHBondContact CA-OD2 3.49Å; G104-D109 PolarHBondContact N-OD2 3.29Å; G104-F141 WeakPolarHBondContact O-CE1 3.48Å; G104-F141 WeakPolarHBondContact O-CZ 3.49Å
105	T	97.8	Very high	98	Very high	35 Å²	35	36.1 Å²	36.1	22%	0.215	19%	0.194	C	C	.	.	S	Bend	trans	-105.3	4.7	-179.6	61.4	0	0	0	0	114.7	V130 H137 F138 F141	T105-V130 HydrophobicContact CG2-CG1 3.59Å; T105-H137 WeakPolarHBondContact CB-NE2 3.38Å; T105-H137 PolarHBondContact OG1-NE2 2.97Å; T105-F138 HydrophobicContact CG2-CD2 3.7Å; T105-F138 HydrophobicContact CG2-CE2 4.36Å; T105-F141 HydrophobicContact CG2-CB 4.1Å; T105-F141 HydrophobicContact CG2-CD1 4.19Å; T105-F141 HydrophobicContact CG2-CD2 4.28Å; T105-F141 HydrophobicContact CG2-CG 3.93Å
106	S	96.8	Very high	98	Very high	53 Å²	53	35.5 Å²	35.5	37%	0.371	19%	0.19	S	C	.	.	S	Bend	trans	-76.9	152.6	178.7	71.5	0	0	0	0	111.6	A108 D109 F110	S106-A108 VanDerWaalsContact C-N 3.25Å; S106-A108 PolarHBondContact O-N 3.14Å; S106-D109 PolarHBondContact O-N 2.93Å; S106-D109 VanDerWaalsContact OG-CB 3.31Å; S106-D109 WeakPolarHBondContact OG-CB 3.41Å; S106-D109 PolarHBondContact OG-N 3.13Å; S106-D109 VanDerWaalsContact OG-N 3.1Å; S106-D109 PolarHBondContact OG-OD2 2.85Å; S106-F110 PolarHBondContact O-N 2.79Å
107	D	97	Very high	98	Very high	118 Å²	118	35.5 Å²	35.5	63%	0.631	19%	0.19	S	C	*	.	H	α-helix	trans	-61.7	-34.5	175.8	-71.5	-36.7	0	0	0	112.5	F110 E111 K144	D107-F110 PolarHBondContact O-N 2.68Å; D107-E111 WeakPolarHBondContact O-CB 3.38Å; D107-E111 PolarHBondContact O-N 2.88Å; D107-K144 IonicContact OD1-NZ 2.59Å; D107-K144 PolarHBondContact OD1-NZ 3.08Å
108	A	97.3	Very high	98.1	Very high	75 Å²	75	37.7 Å²	37.7	62%	0.62	21%	0.205	S	C	*	.	H	α-helix	trans	-66.1	-41.4	175.4	0	0	0	0	0	112.4	S106 K112	S106-A108 VanDerWaalsContact C-N 3.25Å; S106-A108 PolarHBondContact O-N 3.14Å; A108-K112 WeakPolarHBondContact O-CB 3.21Å; A108-K112 PolarHBondContact O-N 2.63Å
109	D	97.7	Very high	98.1	Very high	22 Å²	22	40 Å²	40	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-43	173.5	-81.7	-24.7	0	0	0	110.6	K77 T103 G104 S106 K112 T113	K77-D109 IonicContact NZ-OD1 3.77Å; K77-D109 IonicContact NZ-OD2 2.66Å; K77-D109 PolarHBondContact NZ-OD2 2.91Å; T103-D109 PolarHBondContact OG1-O 2.95Å; G104-D109 WeakPolarHBondContact CA-OD2 3.49Å; G104-D109 PolarHBondContact N-OD2 3.29Å; S106-D109 PolarHBondContact O-N 2.93Å; S106-D109 VanDerWaalsContact OG-CB 3.31Å; S106-D109 WeakPolarHBondContact OG-CB 3.41Å; S106-D109 PolarHBondContact OG-N 3.13Å; S106-D109 VanDerWaalsContact OG-N 3.1Å; S106-D109 PolarHBondContact OG-OD2 2.85Å; D109-K112 PolarHBondContact O-N 2.82Å; D109-T113 WeakPolarHBondContact O-CB 3.15Å; D109-T113 PolarHBondContact O-N 2.89Å; D109-T113 PolarHBondContact O-OG1 2.99Å
110	F	98.5	Very high	98	Very high	26 Å²	26	41.7 Å²	41.7	11%	0.114	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-49	178.3	-175.8	-90.7	0	0	0	112.4	S106 D107 T113 K114 F141 K144 A148 W149	S106-F110 PolarHBondContact O-N 2.79Å; D107-F110 PolarHBondContact O-N 2.68Å; F110-T113 PolarHBondContact O-N 3.46Å; F110-K114 PolarHBondContact O-N 2.62Å; F110-F141 HydrophobicContact CB-CE2 4.11Å; F110-F141 HydrophobicContact CB-CZ 4.14Å; F110-F141 AromaticContact CD2-CE2 3.89Å; F110-F141 HydrophobicContact CD2-CE2 3.89Å; F110-F141 AromaticContact CD2-CZ 3.69Å; F110-F141 HydrophobicContact CD2-CZ 3.69Å; F110-F141 HydrophobicContact CG-CE2 4.42Å; F110-F141 HydrophobicContact CG-CZ 4.41Å; F110-K144 HydrophobicContact CE2-CD 4.22Å; F110-K144 HydrophobicContact CE2-CG 4.03Å; F110-K144 HydrophobicContact CZ-CD 4.46Å; F110-K144 HydrophobicContact CZ-CG 4.21Å; F110-A148 HydrophobicContact CE2-CB 4.28Å; F110-A148 HydrophobicContact CZ-CB 3.72Å; F110-W149 AromaticContact CD2-CH2 3.94Å; F110-W149 HydrophobicContact CD2-CH2 3.94Å; F110-W149 AromaticContact CE2-CH2 3.88Å; F110-W149 HydrophobicContact CE2-CH2 3.88Å; F110-W149 HydrophobicContact CE2-CZ2 4.25Å; F110-W149 HydrophobicContact CE2-CZ3 4.33Å; F110-W149 HydrophobicContact CZ-CZ2 4.5Å
111	E	98.5	Very high	97.9	Very high	87 Å²	87	46.7 Å²	46.7	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-41.8	179.7	-178.5	53.1	-147	0	0	111.7	D107 T113 K114 Q115	D107-E111 WeakPolarHBondContact O-CB 3.38Å; D107-E111 PolarHBondContact O-N 2.88Å; E111-T113 PolarHBondContact O-N 2.92Å; E111-K114 WeakPolarHBondContact O-CB 3.32Å; E111-K114 PolarHBondContact O-N 3.47Å; E111-Q115 WeakPolarHBondContact O-CG 3.46Å; E111-Q115 PolarHBondContact O-N 3.34Å; E111-Q115 PolarHBondContact OE1-NE2 2.86Å
112	K	98.5	Very high	97.7	Very high	54 Å²	54	48.2 Å²	48.2	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-43.3	174.4	-173.8	178	68.8	-174.7	0	112	K77 V81 A108 D109 K114 Q115 I116	K77-K112 PolarHBondContact O-NZ 3.35Å; V81-K112 HydrophobicContact CG2-CG 4.03Å; A108-K112 WeakPolarHBondContact O-CB 3.21Å; A108-K112 PolarHBondContact O-N 2.63Å; D109-K112 PolarHBondContact O-N 2.82Å; K112-K114 VanDerWaalsContact C-N 3.3Å; K112-K114 PolarHBondContact O-N 3.47Å; K112-Q115 PolarHBondContact O-N 3.32Å; K112-I116 HydrophobicContact CG-CD1 3.94Å; K112-I116 VanDerWaalsContact O-CG1 3.32Å; K112-I116 WeakPolarHBondContact O-CG1 3.43Å; K112-I116 PolarHBondContact O-N 2.99Å
113	T	98.6	Very high	97.6	Very high	1 Å²	1	48 Å²	48	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-41	176.7	-63.4	0	0	0	0	111.3	V101 T103 D109 F110 E111 I116 L117 V126 W149	V101-T113 HydrophobicContact CG1-CG2 4.04Å; T103-T113 WeakPolarHBondContact CB-OG1 3.32Å; T103-T113 PolarHBondContact OG1-OG1 2.85Å; D109-T113 WeakPolarHBondContact O-CB 3.15Å; D109-T113 PolarHBondContact O-N 2.89Å; D109-T113 PolarHBondContact O-OG1 2.99Å; F110-T113 PolarHBondContact O-N 3.46Å; E111-T113 PolarHBondContact O-N 2.92Å; T113-I116 PolarHBondContact O-N 2.82Å; T113-L117 HydrophobicContact CG2-CD1 3.76Å; T113-L117 HydrophobicContact CG2-CG 4.23Å; T113-L117 WeakPolarHBondContact O-CB 3.41Å; T113-L117 VanDerWaalsContact O-CG 3.28Å; T113-L117 WeakPolarHBondContact O-CG 3.28Å; T113-L117 PolarHBondContact O-N 3.4Å; T113-V126 HydrophobicContact CG2-CG1 4.39Å; T113-W149 HydrophobicContact CG2-CH2 3.46Å; T113-W149 VanDerWaalsContact CG2-CH2 3.46Å; T113-W149 HydrophobicContact CG2-CZ2 3.73Å; T113-W149 HydrophobicContact CG2-CZ3 4.15Å
114	K	98.4	Very high	97.6	Very high	94 Å²	94	50.2 Å²	50.2	41%	0.409	28%	0.282	S	S	.	.	H	α-helix	trans	-58.1	-50.7	174.3	-174.8	-177.7	176.6	-173.2	0	111.4	F110 E111 K112 I116 L117 D118 W149	F110-K114 PolarHBondContact O-N 2.62Å; E111-K114 WeakPolarHBondContact O-CB 3.32Å; E111-K114 PolarHBondContact O-N 3.47Å; K112-K114 VanDerWaalsContact C-N 3.3Å; K112-K114 PolarHBondContact O-N 3.47Å; K114-I116 VanDerWaalsContact C-N 3.31Å; K114-I116 PolarHBondContact O-N 2.82Å; K114-L117 PolarHBondContact O-N 2.86Å; K114-D118 VanDerWaalsContact O-CG 3.3Å; K114-D118 PolarHBondContact O-N 2.91Å; K114-W149 HydrophobicContact CB-CZ2 4.3Å
115	Q	98.6	Very high	97.6	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-42.6	177.7	-69.3	172	22.8	0	0	112.4	V81 E111 K112 D118 L119	V81-Q115 HydrophobicContact CG1-CB 4.28Å; V81-Q115 HydrophobicContact CG2-CB 4.08Å; E111-Q115 WeakPolarHBondContact O-CG 3.46Å; E111-Q115 PolarHBondContact O-N 3.34Å; E111-Q115 PolarHBondContact OE1-NE2 2.86Å; K112-Q115 PolarHBondContact O-N 3.32Å; Q115-D118 PolarHBondContact O-N 3.49Å; Q115-L119 WeakPolarHBondContact O-CG 3.48Å; Q115-L119 PolarHBondContact O-N 2.78Å
116	I	98.7	Very high	97.7	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-46.6	177.4	-67.6	161.2	0	0	0	111.6	V81 W84 V101 K112 T113 K114 D118 L119 L123	V81-I116 HydrophobicContact CG2-CG1 4.28Å; W84-I116 HydrophobicContact CB-CG1 4.26Å; W84-I116 HydrophobicContact CB-CG2 4.26Å; W84-I116 VanDerWaalsContact CD1-CD1 3.44Å; W84-I116 HydrophobicContact CD2-CD1 4.5Å; W84-I116 HydrophobicContact CD2-CG1 4.49Å; W84-I116 HydrophobicContact CD2-CG2 3.58Å; W84-I116 HydrophobicContact CE3-CG2 3.84Å; W84-I116 HydrophobicContact CG-CB 4.5Å; W84-I116 HydrophobicContact CG-CD1 4.07Å; W84-I116 HydrophobicContact CG-CG1 3.91Å; W84-I116 HydrophobicContact CG-CG2 3.77Å; W84-I116 HydrophobicContact CZ2-CG2 4.5Å; W84-I116 HydrophobicContact CZ3-CG2 4.4Å; V101-I116 HydrophobicContact CG1-CB 4.34Å; V101-I116 HydrophobicContact CG1-CD1 4.32Å; V101-I116 HydrophobicContact CG1-CG2 3.88Å; V101-I116 HydrophobicContact CG2-CG2 3.9Å; K112-I116 HydrophobicContact CG-CD1 3.94Å; K112-I116 VanDerWaalsContact O-CG1 3.32Å; K112-I116 WeakPolarHBondContact O-CG1 3.43Å; K112-I116 PolarHBondContact O-N 2.99Å; T113-I116 PolarHBondContact O-N 2.82Å; K114-I116 VanDerWaalsContact C-N 3.31Å; K114-I116 PolarHBondContact O-N 2.82Å; I116-D118 VanDerWaalsContact C-N 3.27Å; I116-D118 PolarHBondContact O-N 2.94Å; I116-L119 VanDerWaalsContact O-CB 3.32Å; I116-L119 WeakPolarHBondContact O-CB 3.25Å; I116-L119 WeakPolarHBondContact O-CG 3.39Å; I116-L119 PolarHBondContact O-N 3.15Å; I116-L119 VanDerWaalsContact O-N 3.15Å; I116-L123 HydrophobicContact CG2-CD1 3.99Å
117	L	98.4	Very high	97.8	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-30.3	-178.7	-69.4	170.9	0	0	0	112.3	V101 T113 K114 L119 L123 V126 W149	V101-L117 HydrophobicContact CB-CD2 4.27Å; V101-L117 HydrophobicContact CG2-CD2 3.85Å; T113-L117 HydrophobicContact CG2-CD1 3.76Å; T113-L117 HydrophobicContact CG2-CG 4.23Å; T113-L117 WeakPolarHBondContact O-CB 3.41Å; T113-L117 VanDerWaalsContact O-CG 3.28Å; T113-L117 WeakPolarHBondContact O-CG 3.28Å; T113-L117 PolarHBondContact O-N 3.4Å; K114-L117 PolarHBondContact O-N 2.86Å; L117-L119 VanDerWaalsContact C-N 3.26Å; L117-L119 PolarHBondContact O-N 3.31Å; L117-L123 HydrophobicContact CD2-CB 4Å; L117-V126 HydrophobicContact CD1-CG2 3.72Å; L117-V126 HydrophobicContact CD2-CG2 4.21Å; L117-W149 HydrophobicContact CD1-CD2 3.7Å; L117-W149 VanDerWaalsContact CD1-CE2 3.43Å; L117-W149 HydrophobicContact CD1-CE3 4.31Å; L117-W149 HydrophobicContact CD1-CG 4.01Å; L117-W149 HydrophobicContact CD1-CH2 4.44Å; L117-W149 HydrophobicContact CD1-CZ2 3.85Å
118	D	97.9	Very high	97.9	Very high	120 Å²	120	40.4 Å²	40.4	64%	0.642	22%	0.223	S	C	*	.	H	α-helix	trans	-70.8	-19.4	175.6	-72	-16.4	0	0	0	112.6	K114 Q115 I116 N120	K114-D118 VanDerWaalsContact O-CG 3.3Å; K114-D118 PolarHBondContact O-N 2.91Å; Q115-D118 PolarHBondContact O-N 3.49Å; I116-D118 VanDerWaalsContact C-N 3.27Å; I116-D118 PolarHBondContact O-N 2.94Å; D118-N120 PolarHBondContact O-N 3.46Å
119	L	98	Very high	97.9	Very high	50 Å²	50	39 Å²	39	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-67	-34.1	178.2	-56	-176.6	0	0	0	112.9	V81 W84 Q85 I88 Q115 I116 L117	V81-L119 HydrophobicContact CG1-CD1 4.08Å; V81-L119 HydrophobicContact CG1-CD2 4.26Å; W84-L119 HydrophobicContact CB-CD1 4.04Å; Q85-L119 HydrophobicContact CB-CD1 4Å; I88-L119 HydrophobicContact CD1-CB 3.64Å; I88-L119 HydrophobicContact CD1-CD1 3.87Å; I88-L119 HydrophobicContact CD1-CG 4.4Å; Q115-L119 WeakPolarHBondContact O-CG 3.48Å; Q115-L119 PolarHBondContact O-N 2.78Å; I116-L119 VanDerWaalsContact O-CB 3.32Å; I116-L119 WeakPolarHBondContact O-CB 3.25Å; I116-L119 WeakPolarHBondContact O-CG 3.39Å; I116-L119 PolarHBondContact O-N 3.15Å; I116-L119 VanDerWaalsContact O-N 3.15Å; L117-L119 VanDerWaalsContact C-N 3.26Å; L117-L119 PolarHBondContact O-N 3.31Å
120	N	96.7	Very high	97.8	Very high	35 Å²	35	39.3 Å²	39.3	19%	0.187	21%	0.207	C	C	.	.			trans	-154.5	121.8	-179	-166	-42.8	0	0	0	112.3	I88 L96 D118 A122 L123	I88-N120 HydrophobicContact CD1-CB 4.2Å; I88-N120 HydrophobicContact CG2-CB 3.95Å; I88-N120 WeakPolarHBondContact CG2-ND2 3.33Å; L96-N120 WeakPolarHBondContact CD1-ND2 3.47Å; D118-N120 PolarHBondContact O-N 3.46Å; N120-A122 PolarHBondContact O-N 3.15Å; N120-A122 VanDerWaalsContact O-N 3.09Å; N120-A122 WeakPolarHBondContact OD1-CB 3.41Å; N120-A122 PolarHBondContact OD1-N 2.86Å; N120-L123 HydrophobicContact CB-CG 4.43Å; N120-L123 PolarHBondContact O-N 3.41Å; N120-L123 VanDerWaalsContact O-N 3.13Å
121	P	94.8	Very high	97.6	Very high	106 Å²	106	41.3 Å²	41.3	69%	0.688	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.9	-179.9	26.1	-35.3	0	0	0	113.9	L123 N124 K152	P121-L123 PolarHBondContact O-N 3.01Å; P121-N124 PolarHBondContact O-OD1 3.13Å; P121-K152 PolarHBondContact O-NZ 3.47Å
122	A	94.8	Very high	97.6	Very high	33 Å²	33	41.4 Å²	41.4	27%	0.273	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16	178.2	0	0	0	0	0	114	L96 N120 N124	L96-A122 HydrophobicContact CB-CB 4.39Å; N120-A122 PolarHBondContact O-N 3.15Å; N120-A122 VanDerWaalsContact O-N 3.09Å; N120-A122 WeakPolarHBondContact OD1-CB 3.41Å; N120-A122 PolarHBondContact OD1-N 2.86Å; A122-N124 VanDerWaalsContact C-N 3.33Å; A122-N124 PolarHBondContact O-N 2.91Å; A122-N124 PolarHBondContact O-ND2 2.75Å
123	L	97.7	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.			trans	-70.8	90	171.3	-64.4	-179.6	0	0	0	109.2	W84 I88 L96 V99 V101 I116 L117 N120 P121 K152	W84-L123 HydrophobicContact CE3-CD1 4.43Å; W84-L123 HydrophobicContact CZ3-CD1 4.35Å; W84-L123 HydrophobicContact CZ3-CD2 4.22Å; I88-L123 HydrophobicContact CD1-CD1 4Å; L96-L123 HydrophobicContact CD2-CD2 4.2Å; V99-L123 HydrophobicContact CB-CD2 4.39Å; V99-L123 HydrophobicContact CG1-CD2 4.13Å; V101-L123 HydrophobicContact CG2-CB 4.43Å; V101-L123 HydrophobicContact CG2-CD1 4.08Å; I116-L123 HydrophobicContact CG2-CD1 3.99Å; L117-L123 HydrophobicContact CD2-CB 4Å; N120-L123 HydrophobicContact CB-CG 4.43Å; N120-L123 PolarHBondContact O-N 3.41Å; N120-L123 VanDerWaalsContact O-N 3.13Å; P121-L123 PolarHBondContact O-N 3.01Å; L123-K152 VanDerWaalsContact O-CD 3.29Å; L123-K152 WeakPolarHBondContact O-CD 3.21Å; L123-K152 WeakPolarHBondContact O-CE 3.37Å; L123-K152 PolarHBondContact O-NZ 2.84Å
124	N	97.4	Very high	97.5	Very high	47 Å²	47	42.5 Å²	42.5	25%	0.251	24%	0.235	S	C	.	.			trans	-96.5	-7.3	-168.7	-76	-35.7	0	0	0	114.8	P121 A122 K152 T153	P121-N124 PolarHBondContact O-OD1 3.13Å; A122-N124 VanDerWaalsContact C-N 3.33Å; A122-N124 PolarHBondContact O-N 2.91Å; A122-N124 PolarHBondContact O-ND2 2.75Å; N124-K152 CarbonylContact O-C 3.55Å; N124-T153 PolarHBondContact O-N 3.4Å
125	F	98.7	Very high	97.5	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.022	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.3	-175.7	-66.6	-89.2	0	0	0	112.4	F37 W44 L72 M100 V101 T153	F37-F125 AromaticContact CE2-CE1 3.65Å; F37-F125 HydrophobicContact CE2-CE1 3.65Å; F37-F125 AromaticContact CE2-CZ 3.8Å; F37-F125 HydrophobicContact CE2-CZ 3.8Å; F37-F125 AromaticContact CZ-CE1 3.67Å; F37-F125 HydrophobicContact CZ-CE1 3.67Å; F37-F125 HydrophobicContact CZ-CZ 4.04Å; W44-F125 HydrophobicContact CB-CZ 3.92Å; W44-F125 AromaticContact CD1-CE2 3.62Å; W44-F125 AromaticContact CD1-CZ 3.61Å; W44-F125 HydrophobicContact CD2-CZ 4.33Å; W44-F125 HydrophobicContact CG-CE2 4.16Å; W44-F125 AromaticContact CG-CZ 3.68Å; W44-F125 HydrophobicContact CG-CZ 3.68Å; L72-F125 HydrophobicContact CD2-CD2 4.19Å; L72-F125 HydrophobicContact CD2-CE2 4.08Å; L72-F125 HydrophobicContact CD2-CZ 4.48Å; M100-F125 HydrophobicContact CB-CB 3.65Å; M100-F125 HydrophobicContact CE-CB 4.04Å; M100-F125 HydrophobicContact CE-CD1 4.19Å; M100-F125 HydrophobicContact CE-CG 4.45Å; M100-F125 HydrophobicContact CG-CB 3.59Å; M100-F125 HydrophobicContact CG-CG 4.11Å; V101-F125 PolarHBondContact N-O 3.38Å; F125-T153 WeakPolarHBondContact CA-O 3.48Å; F125-T153 HydrophobicContact CD1-CG2 3.7Å; F125-T153 HydrophobicContact CE1-CG2 3.65Å
126	V	98.8	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.7	170.8	-176.4	0	0	0	0	108.8	V101 T103 T113 L117 I128 W149 K152 T153 C155	V101-V126 CarbonylContact O-C 3.57Å; V101-V126 WeakPolarHBondContact O-CA 3.32Å; T103-V126 HydrophobicContact CG2-CG1 4.18Å; T113-V126 HydrophobicContact CG2-CG1 4.39Å; L117-V126 HydrophobicContact CD1-CG2 3.72Å; L117-V126 HydrophobicContact CD2-CG2 4.21Å; V126-I128 HydrophobicContact CG1-CG1 4.04Å; V126-W149 HydrophobicContact CG1-CE3 4.23Å; V126-W149 HydrophobicContact CG1-CZ3 3.92Å; V126-W149 HydrophobicContact CG2-CD2 4.49Å; V126-W149 HydrophobicContact CG2-CE3 4.04Å; V126-W149 HydrophobicContact CG2-CZ3 4.44Å; V126-K152 HydrophobicContact CG2-CB 4.2Å; V126-T153 PolarHBondContact N-O 3.36Å; V126-C155 PolarHBondContact O-N 3.09Å
127	C	98.9	Very high	97.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	103.8	175.5	-174.6	0	0	0	0	109.5	A74 M100 V101 S102 T103 C155	A74-C127 HydrophobicContact CB-CB 4.45Å; M100-C127 HydrophobicContact CB-CB 4.43Å; M100-C127 HydrophobicContact CE-CB 4.26Å; V101-C127 PolarHBondContact O-N 3.45Å; S102-C127 CarbonylContact C-O 3.6Å; S102-C127 WeakPolarHBondContact CA-O 3.32Å; T103-C127 PolarHBondContact N-O 3.48Å; C127-C155 CarbonylContact C-O 3.53Å; C127-C155 WeakPolarHBondContact CA-O 3.2Å
128	I	98.7	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111.3	177.5	-44.3	177.5	0	0	0	108.1	T103 V126 F138 F141 V142 A145 I154 C155 A156 G157	T103-I128 HydrophobicContact CG2-CB 4.25Å; T103-I128 HydrophobicContact CG2-CG1 3.94Å; T103-I128 HydrophobicContact CG2-CG2 4.11Å; V126-I128 HydrophobicContact CG1-CG1 4.04Å; I128-F138 HydrophobicContact CB-CE2 4.24Å; I128-F138 HydrophobicContact CB-CZ 4.46Å; I128-F138 HydrophobicContact CG2-CD2 4.42Å; I128-F138 HydrophobicContact CG2-CE2 3.55Å; I128-F138 HydrophobicContact CG2-CZ 4.24Å; I128-F141 HydrophobicContact CD1-CD1 4.11Å; I128-F141 HydrophobicContact CD1-CE1 4.1Å; I128-F141 HydrophobicContact CG1-CE1 4.44Å; I128-F141 HydrophobicContact CG2-CD1 3.64Å; I128-F141 HydrophobicContact CG2-CE1 3.62Å; I128-V142 HydrophobicContact CD1-CG2 4.25Å; I128-A145 HydrophobicContact CD1-CB 3.59Å; I128-I154 HydrophobicContact CD1-CG2 3.71Å; I128-I154 HydrophobicContact CG1-CG2 4.2Å; I128-C155 PolarHBondContact N-O 2.87Å; I128-A156 HydrophobicContact CB-CB 4.46Å; I128-A156 WeakPolarHBondContact O-CA 3.09Å; I128-G157 PolarHBondContact O-N 3.29Å; I128-G157 VanDerWaalsContact O-N 3.13Å
129	D	98.2	Very high	97.4	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.4	-167.9	-176.4	38.7	0	0	0	112.1	N53 T103 K177	N53-D129 WeakPolarHBondContact ND2-CB 3.46Å; N53-D129 PolarHBondContact ND2-OD2 3.41Å; T103-D129 PolarHBondContact O-N 2.78Å; D129-K177 WeakPolarHBondContact OD1-CE 3.38Å; D129-K177 IonicContact OD1-NZ 3.85Å; D129-K177 PolarHBondContact OD1-NZ 3.15Å; D129-K177 IonicContact OD2-NZ 3.41Å
130	V	96	Very high	97.5	Very high	29 Å²	29	44.8 Å²	44.8	18%	0.176	25%	0.248	C	C	.	.			trans	-137.2	155.7	172.3	-62	0	0	0	0	110.8	T105 N132 F138 G157 N158	T105-V130 HydrophobicContact CG2-CG1 3.59Å; V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 WeakPolarHBondContact CG2-O 3.49Å; V130-N132 PolarHBondContact O-N 3.45Å; V130-F138 HydrophobicContact CB-CD2 4.26Å; V130-F138 HydrophobicContact CB-CE2 4.32Å; V130-F138 HydrophobicContact CG1-CD2 3.81Å; V130-F138 HydrophobicContact CG1-CE2 3.95Å; V130-F138 HydrophobicContact CG2-CB 4.43Å; V130-F138 HydrophobicContact CG2-CD1 4.21Å; V130-F138 HydrophobicContact CG2-CD2 3.39Å; V130-F138 HydrophobicContact CG2-CE1 4.31Å; V130-F138 HydrophobicContact CG2-CE2 3.5Å; V130-F138 VanDerWaalsContact CG2-CE2 3.5Å; V130-F138 HydrophobicContact CG2-CG 3.76Å; V130-F138 HydrophobicContact CG2-CZ 3.98Å; V130-G157 WeakPolarHBondContact CG2-O 3.4Å; V130-G157 PolarHBondContact N-O 2.83Å; V130-G157 CarbonylContact O-C 3.41Å; V130-N158 PolarHBondContact O-N 3.23Å
131	A	94.4	Very high	97.6	Very high	68 Å²	68	43.4 Å²	43.4	56%	0.562	24%	0.24	S	C	*	.	S	Bend	trans	-65.8	-31.4	177.4	0	0	0	0	0	113.2
132	N	96.7	Very high	97.7	Very high	90 Å²	90	38.3 Å²	38.3	48%	0.481	21%	0.207	S	C	.	.			trans	-128.3	95.5	-178.3	-178	17.1	0	0	0	111.1	V130 Y134	V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 WeakPolarHBondContact CG2-O 3.49Å; V130-N132 PolarHBondContact O-N 3.45Å; N132-Y134 PolarHBondContact O-N 2.92Å; N132-Y134 VanDerWaalsContact OD1-CB 3.31Å; N132-Y134 WeakPolarHBondContact OD1-CB 3.37Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.32Å; N132-Y134 PolarHBondContact OD1-N 3.15Å; N132-Y134 VanDerWaalsContact OD1-N 3.1Å
133	G	98.1	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.5	176.4	0	0	0	0	0	114.7	S135 F138 N158 M164	G133-S135 PolarHBondContact O-N 3.35Å; G133-F138 WeakPolarHBondContact O-CD1 3.22Å; G133-N158 WeakPolarHBondContact CA-O 3.29Å; G133-N158 PolarHBondContact N-O 3.4Å; G133-M164 WeakPolarHBondContact O-CE 3.21Å
134	Y	98.3	Very high	98	Very high	78 Å²	78	42.6 Å²	42.6	31%	0.306	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.3	177.2	-64.6	-96.7	0	0	0	113.9	N132 V159 V160 T161 M164 I180	N132-Y134 PolarHBondContact O-N 2.92Å; N132-Y134 VanDerWaalsContact OD1-CB 3.31Å; N132-Y134 WeakPolarHBondContact OD1-CB 3.37Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.32Å; N132-Y134 PolarHBondContact OD1-N 3.15Å; N132-Y134 VanDerWaalsContact OD1-N 3.1Å; Y134-V159 HydrophobicContact CD2-CG1 4.5Å; Y134-V159 HydrophobicContact CE2-CB 4.05Å; Y134-V159 HydrophobicContact CE2-CG1 4.28Å; Y134-V160 HydrophobicContact CE2-CG2 4.36Å; Y134-V160 WeakPolarHBondContact OH-CG2 3.23Å; Y134-V160 PolarHBondContact OH-N 2.91Å; Y134-T161 VanDerWaalsContact CE1-OG1 3.29Å; Y134-T161 WeakPolarHBondContact CE1-OG1 3.48Å; Y134-T161 WeakPolarHBondContact OH-CB 3.4Å; Y134-T161 WeakPolarHBondContact OH-CG2 3.11Å; Y134-T161 PolarHBondContact OH-N 3.41Å; Y134-T161 PolarHBondContact OH-OG1 2.79Å; Y134-M164 HydrophobicContact CD1-CB 3.73Å; Y134-M164 HydrophobicContact CD1-CG 3.65Å; Y134-M164 HydrophobicContact CD1-SD 3.9Å; Y134-M164 HydrophobicContact CE1-CB 3.42Å; Y134-M164 VanDerWaalsContact CE1-CB 3.42Å; Y134-M164 HydrophobicContact CE1-CG 3.83Å; Y134-M164 HydrophobicContact CG-CG 4.04Å; Y134-M164 HydrophobicContact CG-SD 4.3Å; Y134-I180 HydrophobicContact CD2-CD1 4.17Å; Y134-I180 HydrophobicContact CE2-CD1 3.72Å
135	S	97.5	Very high	98	Very high	47 Å²	47	40.4 Å²	40.4	33%	0.329	22%	0.216	S	C	.	.			trans	-79.9	130	179.6	-179.1	0	0	0	0	110.7	G133 H137 F138 V139	G133-S135 PolarHBondContact O-N 3.35Å; S135-H137 PolarHBondContact O-N 2.88Å; S135-H137 PolarHBondContact OG-N 3.3Å; S135-F138 WeakPolarHBondContact O-CA 3.08Å; S135-F138 VanDerWaalsContact O-CB 3.25Å; S135-F138 WeakPolarHBondContact O-CB 3.32Å; S135-F138 PolarHBondContact O-N 2.9Å; S135-V139 PolarHBondContact O-N 3.01Å
136	E	97.8	Very high	98	Very high	140 Å²	140	41.7 Å²	41.7	65%	0.654	22%	0.221	S	C	*	.	H	α-helix	trans	-54.6	-37.5	172.3	-172.8	-174.8	179.2	0	0	111.6	F138 V139 Q140	E136-F138 PolarHBondContact O-N 3.49Å; E136-V139 WeakPolarHBondContact O-CB 3.34Å; E136-V139 PolarHBondContact O-N 2.84Å; E136-Q140 WeakPolarHBondContact O-CG 3.2Å; E136-Q140 PolarHBondContact O-N 2.91Å; E136-Q140 PolarHBondContact OE1-NE2 3.06Å
137	H	97.6	Very high	98	Very high	96 Å²	96	49.6 Å²	49.6	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-35.4	174.4	174	69.1	0	0	0	112.4	T105 S135 F141	T105-H137 WeakPolarHBondContact CB-NE2 3.38Å; T105-H137 PolarHBondContact OG1-NE2 2.97Å; S135-H137 PolarHBondContact O-N 2.88Å; S135-H137 PolarHBondContact OG-N 3.3Å; H137-F141 WeakPolarHBondContact O-CB 3.25Å; H137-F141 PolarHBondContact O-N 3.33Å
138	F	98.5	Very high	98	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-69.7	-43.1	176.7	-177.6	-112.7	0	0	0	111.4	T105 I128 V130 G133 S135 E136 Q140 F141 V142 A156 G157 L168	T105-F138 HydrophobicContact CG2-CD2 3.7Å; T105-F138 HydrophobicContact CG2-CE2 4.36Å; I128-F138 HydrophobicContact CB-CE2 4.24Å; I128-F138 HydrophobicContact CB-CZ 4.46Å; I128-F138 HydrophobicContact CG2-CD2 4.42Å; I128-F138 HydrophobicContact CG2-CE2 3.55Å; I128-F138 HydrophobicContact CG2-CZ 4.24Å; V130-F138 HydrophobicContact CB-CD2 4.26Å; V130-F138 HydrophobicContact CB-CE2 4.32Å; V130-F138 HydrophobicContact CG1-CD2 3.81Å; V130-F138 HydrophobicContact CG1-CE2 3.95Å; V130-F138 HydrophobicContact CG2-CB 4.43Å; V130-F138 HydrophobicContact CG2-CD1 4.21Å; V130-F138 HydrophobicContact CG2-CD2 3.39Å; V130-F138 HydrophobicContact CG2-CE1 4.31Å; V130-F138 HydrophobicContact CG2-CE2 3.5Å; V130-F138 VanDerWaalsContact CG2-CE2 3.5Å; V130-F138 HydrophobicContact CG2-CG 3.76Å; V130-F138 HydrophobicContact CG2-CZ 3.98Å; G133-F138 WeakPolarHBondContact O-CD1 3.22Å; S135-F138 WeakPolarHBondContact O-CA 3.08Å; S135-F138 VanDerWaalsContact O-CB 3.25Å; S135-F138 WeakPolarHBondContact O-CB 3.32Å; S135-F138 PolarHBondContact O-N 2.9Å; E136-F138 PolarHBondContact O-N 3.49Å; F138-Q140 PolarHBondContact O-N 2.89Å; F138-F141 WeakPolarHBondContact O-CB 3.41Å; F138-F141 PolarHBondContact O-N 3.28Å; F138-F141 VanDerWaalsContact O-N 3.12Å; F138-V142 HydrophobicContact CD1-CG2 4.48Å; F138-V142 HydrophobicContact CE1-CG2 4.16Å; F138-V142 HydrophobicContact CZ-CG2 4.17Å; F138-V142 WeakPolarHBondContact O-CG2 3.5Å; F138-V142 PolarHBondContact O-N 3.47Å; F138-A156 HydrophobicContact CE1-CB 4.19Å; F138-A156 HydrophobicContact CZ-CB 3.87Å; F138-G157 WeakPolarHBondContact CZ-O 3.45Å; F138-L168 HydrophobicContact CD1-CD2 3.73Å; F138-L168 HydrophobicContact CE1-CD1 4.01Å; F138-L168 HydrophobicContact CE1-CD2 3.66Å
139	V	98.7	Very high	98	Very high	15 Å²	15	52.6 Å²	52.6	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-48.4	174.7	-177.4	0	0	0	0	111.1	S135 E136 F141 V142 A143 M164 E167 L168 S171	S135-V139 PolarHBondContact O-N 3.01Å; E136-V139 WeakPolarHBondContact O-CB 3.34Å; E136-V139 PolarHBondContact O-N 2.84Å; V139-F141 VanDerWaalsContact C-N 3.28Å; V139-F141 PolarHBondContact O-N 3.29Å; V139-V142 PolarHBondContact O-N 3.23Å; V139-V142 VanDerWaalsContact O-N 3.16Å; V139-A143 PolarHBondContact O-N 3.06Å; V139-M164 HydrophobicContact CG2-CE 3.32Å; V139-E167 HydrophobicContact CG1-CG 4.03Å; V139-E167 HydrophobicContact CG2-CG 4.21Å; V139-L168 HydrophobicContact CG2-CD2 4.32Å; V139-S171 WeakPolarHBondContact CG1-OG 3.42Å
140	Q	98.5	Very high	98	Very high	105 Å²	105	54.1 Å²	54.1	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-38.5	175.6	-68.7	171.1	-0.6	0	0	112	E136 F138 A143 K144	E136-Q140 WeakPolarHBondContact O-CG 3.2Å; E136-Q140 PolarHBondContact O-N 2.91Å; E136-Q140 PolarHBondContact OE1-NE2 3.06Å; F138-Q140 PolarHBondContact O-N 2.89Å; Q140-A143 PolarHBondContact O-N 3.47Å; Q140-K144 WeakPolarHBondContact O-CB 3.4Å; Q140-K144 PolarHBondContact O-N 3.04Å
141	F	98.7	Very high	98	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-39.6	175.8	-170.8	-84.4	0	0	0	112.3	T103 G104 T105 F110 I128 H137 F138 V139 A143 K144 A145	T103-F141 HydrophobicContact CG2-CE1 4.2Å; T103-F141 HydrophobicContact CG2-CZ 4.5Å; G104-F141 WeakPolarHBondContact O-CE1 3.48Å; G104-F141 WeakPolarHBondContact O-CZ 3.49Å; T105-F141 HydrophobicContact CG2-CB 4.1Å; T105-F141 HydrophobicContact CG2-CD1 4.19Å; T105-F141 HydrophobicContact CG2-CD2 4.28Å; T105-F141 HydrophobicContact CG2-CG 3.93Å; F110-F141 HydrophobicContact CB-CE2 4.11Å; F110-F141 HydrophobicContact CB-CZ 4.14Å; F110-F141 AromaticContact CD2-CE2 3.89Å; F110-F141 HydrophobicContact CD2-CE2 3.89Å; F110-F141 AromaticContact CD2-CZ 3.69Å; F110-F141 HydrophobicContact CD2-CZ 3.69Å; F110-F141 HydrophobicContact CG-CE2 4.42Å; F110-F141 HydrophobicContact CG-CZ 4.41Å; I128-F141 HydrophobicContact CD1-CD1 4.11Å; I128-F141 HydrophobicContact CD1-CE1 4.1Å; I128-F141 HydrophobicContact CG1-CE1 4.44Å; I128-F141 HydrophobicContact CG2-CD1 3.64Å; I128-F141 HydrophobicContact CG2-CE1 3.62Å; H137-F141 WeakPolarHBondContact O-CB 3.25Å; H137-F141 PolarHBondContact O-N 3.33Å; F138-F141 WeakPolarHBondContact O-CB 3.41Å; F138-F141 PolarHBondContact O-N 3.28Å; F138-F141 VanDerWaalsContact O-N 3.12Å; V139-F141 VanDerWaalsContact C-N 3.28Å; V139-F141 PolarHBondContact O-N 3.29Å; F141-A143 VanDerWaalsContact C-N 3.35Å; F141-K144 PolarHBondContact O-N 2.65Å; F141-A145 WeakPolarHBondContact O-CB 3.36Å; F141-A145 PolarHBondContact O-N 3.17Å
142	V	98.8	Very high	98.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-44.6	174.2	173.8	0	0	0	0	110.7	I128 F138 V139 A145 R146 A156 L168 A173	I128-V142 HydrophobicContact CD1-CG2 4.25Å; F138-V142 HydrophobicContact CD1-CG2 4.48Å; F138-V142 HydrophobicContact CE1-CG2 4.16Å; F138-V142 HydrophobicContact CZ-CG2 4.17Å; F138-V142 WeakPolarHBondContact O-CG2 3.5Å; F138-V142 PolarHBondContact O-N 3.47Å; V139-V142 PolarHBondContact O-N 3.23Å; V139-V142 VanDerWaalsContact O-N 3.16Å; V142-A145 PolarHBondContact O-N 3.21Å; V142-R146 PolarHBondContact O-N 3.29Å; V142-A156 HydrophobicContact CG2-CB 3.77Å; V142-L168 HydrophobicContact CG2-CD2 4.16Å; V142-A173 HydrophobicContact CG1-CB 4.08Å
143	A	98.7	Very high	98.3	Very high	45 Å²	45	50.1 Å²	50.1	37%	0.372	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-46.4	176	0	0	0	0	0	112	V139 Q140 F141 A145 R146 E147 S171	V139-A143 PolarHBondContact O-N 3.06Å; Q140-A143 PolarHBondContact O-N 3.47Å; F141-A143 VanDerWaalsContact C-N 3.35Å; A143-A145 VanDerWaalsContact C-N 3.32Å; A143-A145 PolarHBondContact O-N 3.18Å; A143-R146 PolarHBondContact O-N 3.05Å; A143-E147 PolarHBondContact O-N 2.65Å; A143-S171 WeakPolarHBondContact CA-O 3.18Å
144	K	98.6	Very high	98.4	Very high	78 Å²	78	50.1 Å²	50.1	34%	0.339	26%	0.261	S	S	.	.	H	α-helix	trans	-57.5	-42.8	173.6	179.2	-175.7	175.4	-177.3	0	111.9	D107 F110 Q140 F141 E147 A148	D107-K144 IonicContact OD1-NZ 2.59Å; D107-K144 PolarHBondContact OD1-NZ 3.08Å; F110-K144 HydrophobicContact CE2-CD 4.22Å; F110-K144 HydrophobicContact CE2-CG 4.03Å; F110-K144 HydrophobicContact CZ-CD 4.46Å; F110-K144 HydrophobicContact CZ-CG 4.21Å; Q140-K144 WeakPolarHBondContact O-CB 3.4Å; Q140-K144 PolarHBondContact O-N 3.04Å; F141-K144 PolarHBondContact O-N 2.65Å; K144-E147 PolarHBondContact O-N 2.64Å; K144-A148 WeakPolarHBondContact O-CB 3.23Å; K144-A148 PolarHBondContact O-N 2.81Å
145	A	98.6	Very high	98.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-40.3	178.5	0	0	0	0	0	112.3	I128 F141 V142 A143 A148 W149 I154	I128-A145 HydrophobicContact CD1-CB 3.59Å; F141-A145 WeakPolarHBondContact O-CB 3.36Å; F141-A145 PolarHBondContact O-N 3.17Å; V142-A145 PolarHBondContact O-N 3.21Å; A143-A145 VanDerWaalsContact C-N 3.32Å; A143-A145 PolarHBondContact O-N 3.18Å; A145-A148 PolarHBondContact O-N 2.83Å; A145-W149 HydrophobicContact CB-CE3 3.87Å; A145-W149 HydrophobicContact CB-CZ3 3.74Å; A145-W149 WeakPolarHBondContact O-CB 3.47Å; A145-W149 PolarHBondContact O-N 3.27Å; A145-I154 HydrophobicContact CB-CD1 4.14Å
146	R	98.7	Very high	98.5	Very high	33 Å²	33	44.1 Å²	44.1	13%	0.125	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-43.5	173.4	171.1	54.6	61.2	-155.6	-7.2	111.6	H39 V142 A143 W149 P150 K152 I154 G172 D174	H39-R146 VanDerWaalsContact CB-CZ 3.48Å; V142-R146 PolarHBondContact O-N 3.29Å; A143-R146 PolarHBondContact O-N 3.05Å; R146-W149 PolarHBondContact NH1-O 3.25Å; R146-W149 CarbonylContact O-C 3.54Å; R146-W149 PolarHBondContact O-N 2.87Å; R146-P150 PolarHBondContact NH1-O 3.06Å; R146-P150 WeakPolarHBondContact O-CA 3.26Å; R146-K152 PolarHBondContact NH1-O 3.23Å; R146-K152 PolarHBondContact NH2-O 2.67Å; R146-I154 HydrophobicContact CB-CD1 4.07Å; R146-G172 PolarHBondContact NE-O 2.5Å; R146-G172 VanDerWaalsContact NE-O 3.08Å; R146-G172 PolarHBondContact NH2-O 2.61Å; R146-D174 IonicContact CZ-OD2 3.24Å; R146-D174 IonicContact NH2-OD1 3.91Å; R146-D174 IonicContact NH2-OD2 3.05Å; R146-D174 PolarHBondContact NH2-OD2 2.92Å
147	E	98.6	Very high	98.5	Very high	165 Å²	165	37.5 Å²	37.5	77%	0.771	20%	0.2	S	C	*	.	H	α-helix	trans	-61.8	-43.2	176.8	-174.2	179.6	-176.7	0	0	111.8	A143 K144	A143-E147 PolarHBondContact O-N 2.65Å; K144-E147 PolarHBondContact O-N 2.64Å
148	A	98.2	Very high	98.5	Very high	47 Å²	47	33.6 Å²	33.6	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-71.1	-32.9	179.5	0	0	0	0	0	113.5	F110 K144 A145 P150	F110-A148 HydrophobicContact CE2-CB 4.28Å; F110-A148 HydrophobicContact CZ-CB 3.72Å; K144-A148 WeakPolarHBondContact O-CB 3.23Å; K144-A148 PolarHBondContact O-N 2.81Å; A145-A148 PolarHBondContact O-N 2.83Å; A148-P150 VanDerWaalsContact C-CD 3.48Å
149	W	97.9	Very high	98.6	Very high	17 Å²	17	33.5 Å²	33.5	6%	0.064	18%	0.182	C	C	.	.			trans	-129.8	61.5	-173.2	-55.3	-47.3	0	0	0	112.4	F110 T113 K114 L117 V126 A145 R146 T151 K152	F110-W149 AromaticContact CD2-CH2 3.94Å; F110-W149 HydrophobicContact CD2-CH2 3.94Å; F110-W149 AromaticContact CE2-CH2 3.88Å; F110-W149 HydrophobicContact CE2-CH2 3.88Å; F110-W149 HydrophobicContact CE2-CZ2 4.25Å; F110-W149 HydrophobicContact CE2-CZ3 4.33Å; F110-W149 HydrophobicContact CZ-CZ2 4.5Å; T113-W149 HydrophobicContact CG2-CH2 3.46Å; T113-W149 VanDerWaalsContact CG2-CH2 3.46Å; T113-W149 HydrophobicContact CG2-CZ2 3.73Å; T113-W149 HydrophobicContact CG2-CZ3 4.15Å; K114-W149 HydrophobicContact CB-CZ2 4.3Å; L117-W149 HydrophobicContact CD1-CD2 3.7Å; L117-W149 VanDerWaalsContact CD1-CE2 3.43Å; L117-W149 HydrophobicContact CD1-CE3 4.31Å; L117-W149 HydrophobicContact CD1-CG 4.01Å; L117-W149 HydrophobicContact CD1-CH2 4.44Å; L117-W149 HydrophobicContact CD1-CZ2 3.85Å; V126-W149 HydrophobicContact CG1-CE3 4.23Å; V126-W149 HydrophobicContact CG1-CZ3 3.92Å; V126-W149 HydrophobicContact CG2-CD2 4.49Å; V126-W149 HydrophobicContact CG2-CE3 4.04Å; V126-W149 HydrophobicContact CG2-CZ3 4.44Å; A145-W149 HydrophobicContact CB-CE3 3.87Å; A145-W149 HydrophobicContact CB-CZ3 3.74Å; A145-W149 WeakPolarHBondContact O-CB 3.47Å; A145-W149 PolarHBondContact O-N 3.27Å; R146-W149 PolarHBondContact NH1-O 3.25Å; R146-W149 CarbonylContact O-C 3.54Å; R146-W149 PolarHBondContact O-N 2.87Å; W149-T151 PolarHBondContact O-N 2.8Å; W149-K152 HydrophobicContact CB-CB 3.88Å; W149-K152 HydrophobicContact CB-CG 3.67Å; W149-K152 HydrophobicContact CG-CG 4.31Å; W149-K152 PolarHBondContact O-N 2.69Å
150	P	98.1	Very high	98.6	Very high	76 Å²	76	33.3 Å²	33.3	49%	0.494	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.9	-170.3	23.5	-34.6	0	0	0	113.6	R146 A148	R146-P150 PolarHBondContact NH1-O 3.06Å; R146-P150 WeakPolarHBondContact O-CA 3.26Å; A148-P150 VanDerWaalsContact C-CD 3.48Å
151	T	97.6	Very high	98.6	Very high	80 Å²	80	29.8 Å²	29.8	49%	0.491	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-3.4	-178.7	59.6	0	0	0	0	114.2	Q42 W149	Q42-T151 WeakPolarHBondContact CG-O 3.3Å; Q42-T151 PolarHBondContact NE2-O 2.74Å; W149-T151 PolarHBondContact O-N 2.8Å
152	K	98.5	Very high	98.5	Very high	21 Å²	21	29.8 Å²	29.8	9%	0.091	17%	0.169	C	C	.	.	S	Bend	trans	-90.9	143.6	179	-55.1	-62.2	-178.9	175.1	0	110.1	S40 P121 L123 N124 V126 R146 W149	S40-K152 VanDerWaalsContact CB-C 3.43Å; S40-K152 WeakPolarHBondContact CB-O 3.21Å; P121-K152 PolarHBondContact O-NZ 3.47Å; L123-K152 VanDerWaalsContact O-CD 3.29Å; L123-K152 WeakPolarHBondContact O-CD 3.21Å; L123-K152 WeakPolarHBondContact O-CE 3.37Å; L123-K152 PolarHBondContact O-NZ 2.84Å; N124-K152 CarbonylContact O-C 3.55Å; V126-K152 HydrophobicContact CG2-CB 4.2Å; R146-K152 PolarHBondContact NH1-O 3.23Å; R146-K152 PolarHBondContact NH2-O 2.67Å; W149-K152 HydrophobicContact CB-CB 3.88Å; W149-K152 HydrophobicContact CB-CG 3.67Å; W149-K152 HydrophobicContact CG-CG 4.31Å; W149-K152 PolarHBondContact O-N 2.69Å
153	T	98.8	Very high	98.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.3	173.4	-61.5	0	0	0	0	109.7	F37 S40 N124 F125 V126 D174 I175	F37-T153 HydrophobicContact CB-CG2 4.09Å; F37-T153 HydrophobicContact CD1-CG2 3.67Å; F37-T153 HydrophobicContact CD2-CG2 3.55Å; F37-T153 WeakPolarHBondContact CD2-OG1 3.21Å; F37-T153 HydrophobicContact CE1-CG2 3.93Å; F37-T153 HydrophobicContact CE2-CG2 3.79Å; F37-T153 HydrophobicContact CG-CG2 3.48Å; F37-T153 VanDerWaalsContact CG-CG2 3.48Å; F37-T153 HydrophobicContact CZ-CG2 3.98Å; S40-T153 PolarHBondContact OG-OG1 2.98Å; N124-T153 PolarHBondContact O-N 3.4Å; F125-T153 WeakPolarHBondContact CA-O 3.48Å; F125-T153 HydrophobicContact CD1-CG2 3.7Å; F125-T153 HydrophobicContact CE1-CG2 3.65Å; V126-T153 PolarHBondContact N-O 3.36Å; T153-D174 VanDerWaalsContact CA-OD2 3.25Å; T153-D174 WeakPolarHBondContact CA-OD2 3.49Å; T153-D174 HydrophobicContact CG2-CB 3.76Å; T153-I175 HydrophobicContact CG2-CD1 4.07Å; T153-I175 HydrophobicContact CG2-CG1 4.32Å
154	I	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.4	-175.6	-64.4	176.1	0	0	0	109.9	I128 A145 R146 A156 D174 I175	I128-I154 HydrophobicContact CD1-CG2 3.71Å; I128-I154 HydrophobicContact CG1-CG2 4.2Å; A145-I154 HydrophobicContact CB-CD1 4.14Å; R146-I154 HydrophobicContact CB-CD1 4.07Å; I154-A156 HydrophobicContact CG2-CB 4.46Å; I154-D174 PolarHBondContact N-OD2 3.16Å; I154-D174 PolarHBondContact O-N 3.32Å; I154-I175 PolarHBondContact O-N 2.9Å
155	C	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126	166.7	-176.5	0	0	0	0	109.2	M100 V126 C127 I128 I175	M100-C155 HydrophobicContact CE-CB 3.6Å; V126-C155 PolarHBondContact O-N 3.09Å; C127-C155 CarbonylContact C-O 3.53Å; C127-C155 WeakPolarHBondContact CA-O 3.2Å; I128-C155 PolarHBondContact N-O 2.87Å; C155-I175 CarbonylContact C-O 3.59Å; C155-I175 VanDerWaalsContact CA-O 3.22Å; C155-I175 WeakPolarHBondContact CA-O 3.44Å; C155-I175 HydrophobicContact CB-CB 4.12Å
156	A	98.9	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.8	-174.7	0	0	0	0	0	112.6	I128 F138 V142 I154 A173 I175 V176 K177	I128-A156 HydrophobicContact CB-CB 4.46Å; I128-A156 WeakPolarHBondContact O-CA 3.09Å; F138-A156 HydrophobicContact CE1-CB 4.19Å; F138-A156 HydrophobicContact CZ-CB 3.87Å; V142-A156 HydrophobicContact CG2-CB 3.77Å; I154-A156 HydrophobicContact CG2-CB 4.46Å; A156-A173 HydrophobicContact CB-CB 3.96Å; A156-I175 PolarHBondContact N-O 3.05Å; A156-V176 CarbonylContact O-C 3.54Å; A156-V176 WeakPolarHBondContact O-CA 3.34Å; A156-K177 PolarHBondContact O-N 3.49Å
157	G	98.7	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	-169.3	169.3	0	0	0	0	0	113.9	I128 V130 F138	I128-G157 PolarHBondContact O-N 3.29Å; I128-G157 VanDerWaalsContact O-N 3.13Å; V130-G157 WeakPolarHBondContact CG2-O 3.4Å; V130-G157 PolarHBondContact N-O 2.83Å; V130-G157 CarbonylContact O-C 3.41Å; F138-G157 WeakPolarHBondContact CZ-O 3.45Å
158	N	98.6	Very high	98.5	Very high	14 Å²	14	28.2 Å²	28.2	8%	0.075	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-106.1	144.2	17.8	-71.8	23.4	0	0	0	115.6	V130 G133 K177 G179 I180 D219	V130-N158 PolarHBondContact O-N 3.23Å; G133-N158 WeakPolarHBondContact CA-O 3.29Å; G133-N158 PolarHBondContact N-O 3.4Å; N158-K177 VanDerWaalsContact CA-O 3.32Å; N158-K177 WeakPolarHBondContact CA-O 3.5Å; N158-K177 WeakPolarHBondContact OD1-CE 3.46Å; N158-K177 VanDerWaalsContact OD1-CG 3.27Å; N158-K177 WeakPolarHBondContact OD1-CG 3.3Å; N158-K177 PolarHBondContact OD1-NZ 3.04Å; N158-G179 VanDerWaalsContact CB-O 3.32Å; N158-G179 WeakPolarHBondContact CB-O 3.23Å; N158-G179 PolarHBondContact ND2-O 2.97Å; N158-I180 HydrophobicContact CB-CG1 4.19Å; N158-D219 PolarHBondContact ND2-OD2 2.69Å
159	V	98.8	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	171.7	175.3	-55.6	0	0	0	0	110.7	Y134 M164 L168 V176 K177 V178 G179	Y134-V159 HydrophobicContact CD2-CG1 4.5Å; Y134-V159 HydrophobicContact CE2-CB 4.05Å; Y134-V159 HydrophobicContact CE2-CG1 4.28Å; V159-M164 HydrophobicContact CB-CB 4.19Å; V159-M164 HydrophobicContact CB-CG 4.08Å; V159-M164 HydrophobicContact CG1-CB 4.03Å; V159-M164 HydrophobicContact CG1-CG 3.38Å; V159-L168 HydrophobicContact CG1-CD1 3.66Å; V159-L168 HydrophobicContact CG2-CD1 4.37Å; V159-V176 HydrophobicContact CG2-CG1 3.33Å; V159-K177 PolarHBondContact N-O 3.32Å; V159-K177 VanDerWaalsContact N-O 3.08Å; V159-V178 CarbonylContact O-C 3.51Å; V159-V178 VanDerWaalsContact O-CA 3.26Å; V159-V178 WeakPolarHBondContact O-CA 3.34Å; V159-G179 PolarHBondContact O-N 2.9Å
160	V	98.7	Very high	98.6	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.067	16%	0.164	C	C	.	.			trans	-142.4	2.3	-179.6	-70	0	0	0	0	114.7	Y134 I180 Y196 A201 C205	Y134-V160 HydrophobicContact CE2-CG2 4.36Å; Y134-V160 WeakPolarHBondContact OH-CG2 3.23Å; Y134-V160 PolarHBondContact OH-N 2.91Å; V160-I180 HydrophobicContact CG1-CB 3.76Å; V160-I180 HydrophobicContact CG1-CD1 4.37Å; V160-I180 HydrophobicContact CG1-CG1 3.92Å; V160-I180 HydrophobicContact CG2-CD1 4.28Å; V160-Y196 HydrophobicContact CB-CD2 4.25Å; V160-Y196 HydrophobicContact CB-CG 4.03Å; V160-Y196 HydrophobicContact CG2-CD2 4Å; V160-Y196 HydrophobicContact CG2-CG 4.18Å; V160-A201 HydrophobicContact CB-CB 4.04Å; V160-A201 HydrophobicContact CG1-CB 4.26Å; V160-C205 VanDerWaalsContact C-SG 3.53Å
161	T	98.5	Very high	98.6	Very high	31 Å²	31	28.5 Å²	28.5	19%	0.19	15%	0.15	C	C	.	.	S	Bend	trans	-124.8	155.7	-178.4	56.8	0	0	0	0	111.6	Y134 C165 Y196 E204 C205	Y134-T161 VanDerWaalsContact CE1-OG1 3.29Å; Y134-T161 WeakPolarHBondContact CE1-OG1 3.48Å; Y134-T161 WeakPolarHBondContact OH-CB 3.4Å; Y134-T161 WeakPolarHBondContact OH-CG2 3.11Å; Y134-T161 PolarHBondContact OH-N 3.41Å; Y134-T161 PolarHBondContact OH-OG1 2.79Å; T161-C165 WeakPolarHBondContact O-CB 3.43Å; T161-C165 PolarHBondContact O-N 2.87Å; T161-Y196 HydrophobicContact CG2-CD2 4.49Å; T161-Y196 HydrophobicContact CG2-CE2 4.22Å; T161-E204 VanDerWaalsContact CA-OE1 3.23Å; T161-E204 WeakPolarHBondContact CA-OE1 3.44Å; T161-E204 WeakPolarHBondContact CB-OE1 3.15Å; T161-C205 VanDerWaalsContact C-SG 3.51Å; T161-C205 PolarHBondContact O-SG 3Å; T161-C205 VanDerWaalsContact O-SG 3.34Å
162	G	98.3	Very high	98.7	Very high	7 Å²	7	24.8 Å²	24.8	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-43	-179.4	0	0	0	0	0	113.3	C165 E166 E204	G162-C165 WeakPolarHBondContact O-CA 3.39Å; G162-C165 VanDerWaalsContact O-CB 3.27Å; G162-C165 WeakPolarHBondContact O-CB 3.45Å; G162-C165 PolarHBondContact O-N 3.34Å; G162-C165 VanDerWaalsContact O-N 3.12Å; G162-E166 WeakPolarHBondContact O-CG 3.47Å; G162-E166 PolarHBondContact O-N 2.95Å; G162-E204 PolarHBondContact N-OE1 2.89Å
163	E	98.2	Very high	98.7	Very high	124 Å²	124	23.8 Å²	23.8	58%	0.579	12%	0.124	S	C	*	.	H	α-helix	trans	-60	-53	-176.9	162.1	-96.1	-172.4	0	0	112.8	C165 E166 E167	E163-C165 PolarHBondContact O-N 3.16Å; E163-E166 WeakPolarHBondContact O-CB 3.35Å; E163-E166 PolarHBondContact O-N 2.89Å; E163-E166 VanDerWaalsContact O-N 3.12Å; E163-E167 PolarHBondContact O-N 2.91Å
164	M	98.6	Very high	98.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-29.4	175.8	-163	67.9	-123.6	0	0	112.7	G133 Y134 V139 V159 E167 L168	G133-M164 WeakPolarHBondContact O-CE 3.21Å; Y134-M164 HydrophobicContact CD1-CB 3.73Å; Y134-M164 HydrophobicContact CD1-CG 3.65Å; Y134-M164 HydrophobicContact CD1-SD 3.9Å; Y134-M164 HydrophobicContact CE1-CB 3.42Å; Y134-M164 VanDerWaalsContact CE1-CB 3.42Å; Y134-M164 HydrophobicContact CE1-CG 3.83Å; Y134-M164 HydrophobicContact CG-CG 4.04Å; Y134-M164 HydrophobicContact CG-SD 4.3Å; V139-M164 HydrophobicContact CG2-CE 3.32Å; V159-M164 HydrophobicContact CB-CB 4.19Å; V159-M164 HydrophobicContact CB-CG 4.08Å; V159-M164 HydrophobicContact CG1-CB 4.03Å; V159-M164 HydrophobicContact CG1-CG 3.38Å; M164-E167 HydrophobicContact CE-CB 3.88Å; M164-E167 HydrophobicContact CE-CG 3.84Å; M164-E167 WeakPolarHBondContact CE-OE2 3.17Å; M164-L168 HydrophobicContact CE-CD2 3.85Å; M164-L168 HydrophobicContact CE-CG 3.85Å; M164-L168 VanDerWaalsContact O-CG 3.3Å; M164-L168 WeakPolarHBondContact O-CG 3.42Å; M164-L168 PolarHBondContact O-N 2.91Å; M164-L168 VanDerWaalsContact O-N 3.07Å
165	C	98.7	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-44.3	172.3	-174.8	0	0	0	0	111.4	T161 G162 E163 I169 V176 C205 A208	T161-C165 WeakPolarHBondContact O-CB 3.43Å; T161-C165 PolarHBondContact O-N 2.87Å; G162-C165 WeakPolarHBondContact O-CA 3.39Å; G162-C165 VanDerWaalsContact O-CB 3.27Å; G162-C165 WeakPolarHBondContact O-CB 3.45Å; G162-C165 PolarHBondContact O-N 3.34Å; G162-C165 VanDerWaalsContact O-N 3.12Å; E163-C165 PolarHBondContact O-N 3.16Å; C165-I169 WeakPolarHBondContact O-CD1 3.43Å; C165-I169 WeakPolarHBondContact O-CG1 3.31Å; C165-I169 PolarHBondContact O-N 3.29Å; C165-I169 VanDerWaalsContact O-N 3.16Å; C165-V176 HydrophobicContact CB-CG1 4.25Å; C165-C205 HydrophobicContact CB-CB 4.23Å; C165-A208 HydrophobicContact CB-CB 4.43Å
166	E	98.7	Very high	98.7	Very high	86 Å²	86	23.9 Å²	23.9	40%	0.402	12%	0.124	S	C	.	.	H	α-helix	trans	-61.9	-47.1	174.7	-68.2	178.1	-172.4	0	0	111.8	G162 E163 L168 I169 L170 A208 L212	G162-E166 WeakPolarHBondContact O-CG 3.47Å; G162-E166 PolarHBondContact O-N 2.95Å; E163-E166 WeakPolarHBondContact O-CB 3.35Å; E163-E166 PolarHBondContact O-N 2.89Å; E163-E166 VanDerWaalsContact O-N 3.12Å; E166-L168 PolarHBondContact O-N 3.05Å; E166-I169 PolarHBondContact O-N 3Å; E166-L170 WeakPolarHBondContact O-CB 3.34Å; E166-L170 VanDerWaalsContact O-CG 3.31Å; E166-L170 WeakPolarHBondContact O-CG 3.17Å; E166-L170 PolarHBondContact O-N 3.15Å; E166-A208 HydrophobicContact CG-CB 4.04Å; E166-L212 HydrophobicContact CB-CD1 3.66Å; E166-L212 HydrophobicContact CG-CD1 3.68Å; E166-L212 HydrophobicContact CG-CG 4.41Å
167	E	98.8	Very high	98.7	Very high	75 Å²	75	24 Å²	24	35%	0.35	12%	0.124	S	C	.	.	H	α-helix	trans	-59.9	-44.1	-179.6	-179.5	171.7	-162.3	0	0	112.2	V139 E163 M164 I169 L170 S171	V139-E167 HydrophobicContact CG1-CG 4.03Å; V139-E167 HydrophobicContact CG2-CG 4.21Å; E163-E167 PolarHBondContact O-N 2.91Å; M164-E167 HydrophobicContact CE-CB 3.88Å; M164-E167 HydrophobicContact CE-CG 3.84Å; M164-E167 WeakPolarHBondContact CE-OE2 3.17Å; E167-I169 VanDerWaalsContact C-N 3.35Å; E167-I169 PolarHBondContact O-N 3.06Å; E167-L170 PolarHBondContact O-N 3.14Å; E167-S171 VanDerWaalsContact O-CB 3.3Å; E167-S171 WeakPolarHBondContact O-CB 3.31Å; E167-S171 PolarHBondContact O-N 2.88Å; E167-S171 PolarHBondContact O-OG 3.23Å
168	L	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-40.7	176.8	-69.3	179.1	0	0	0	112.1	F138 V139 V142 V159 M164 E166 S171 G172 A173 V176	F138-L168 HydrophobicContact CD1-CD2 3.73Å; F138-L168 HydrophobicContact CE1-CD1 4.01Å; F138-L168 HydrophobicContact CE1-CD2 3.66Å; V139-L168 HydrophobicContact CG2-CD2 4.32Å; V142-L168 HydrophobicContact CG2-CD2 4.16Å; V159-L168 HydrophobicContact CG1-CD1 3.66Å; V159-L168 HydrophobicContact CG2-CD1 4.37Å; M164-L168 HydrophobicContact CE-CD2 3.85Å; M164-L168 HydrophobicContact CE-CG 3.85Å; M164-L168 VanDerWaalsContact O-CG 3.3Å; M164-L168 WeakPolarHBondContact O-CG 3.42Å; M164-L168 PolarHBondContact O-N 2.91Å; M164-L168 VanDerWaalsContact O-N 3.07Å; E166-L168 PolarHBondContact O-N 3.05Å; L168-S171 PolarHBondContact O-N 3.36Å; L168-G172 PolarHBondContact O-N 3.38Å; L168-A173 HydrophobicContact CB-CB 4.3Å; L168-A173 VanDerWaalsContact O-CB 3.24Å; L168-A173 WeakPolarHBondContact O-CB 3.46Å; L168-A173 PolarHBondContact O-N 3.36Å; L168-V176 HydrophobicContact CB-CG2 3.98Å; L168-V176 HydrophobicContact CD1-CG1 4.06Å
169	I	98.8	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-46.1	175.7	-69.9	163.4	0	0	0	110.1	K38 H39 C165 E166 E167 S171 G172 A173 V176 A209 L212	K38-I169 HydrophobicContact CD-CG2 3.91Å; H39-I169 PolarHBondContact CE1-O 3.16Å; H39-I169 VanDerWaalsContact CE1-O 3.31Å; H39-I169 PolarHBondContact NE2-O 3.49Å; C165-I169 WeakPolarHBondContact O-CD1 3.43Å; C165-I169 WeakPolarHBondContact O-CG1 3.31Å; C165-I169 PolarHBondContact O-N 3.29Å; C165-I169 VanDerWaalsContact O-N 3.16Å; E166-I169 PolarHBondContact O-N 3Å; E167-I169 VanDerWaalsContact C-N 3.35Å; E167-I169 PolarHBondContact O-N 3.06Å; I169-S171 PolarHBondContact O-N 2.93Å; I169-G172 PolarHBondContact O-N 3.33Å; I169-G172 VanDerWaalsContact O-N 3.11Å; I169-A173 WeakPolarHBondContact CA-O 3.46Å; I169-V176 HydrophobicContact CD1-CG2 4.08Å; I169-V176 HydrophobicContact CG1-CG2 3.68Å; I169-A209 HydrophobicContact CD1-CB 3.53Å; I169-L212 HydrophobicContact CB-CD1 4.34Å; I169-L212 HydrophobicContact CG2-CB 3.97Å; I169-L212 HydrophobicContact CG2-CD1 4.23Å
170	L	98.6	Very high	98.7	Very high	116 Å²	116	24.1 Å²	24.1	61%	0.607	13%	0.126	S	C	*	.	H	α-helix	trans	-62.7	-30.9	178.3	-68.9	173.2	0	0	0	112.2	E166 E167 G172 L212	E166-L170 WeakPolarHBondContact O-CB 3.34Å; E166-L170 VanDerWaalsContact O-CG 3.31Å; E166-L170 WeakPolarHBondContact O-CG 3.17Å; E166-L170 PolarHBondContact O-N 3.15Å; E167-L170 PolarHBondContact O-N 3.14Å; L170-G172 VanDerWaalsContact C-N 3.27Å; L170-G172 PolarHBondContact O-N 3.03Å; L170-L212 HydrophobicContact CD2-CD1 4.33Å; L170-L212 HydrophobicContact CG-CD1 4.12Å
171	S	98.6	Very high	98.6	Very high	29 Å²	29	24.2 Å²	24.2	20%	0.203	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.6	177.7	-57.1	0	0	0	0	114.2	V139 A143 E167 L168 I169	V139-S171 WeakPolarHBondContact CG1-OG 3.42Å; A143-S171 WeakPolarHBondContact CA-O 3.18Å; E167-S171 VanDerWaalsContact O-CB 3.3Å; E167-S171 WeakPolarHBondContact O-CB 3.31Å; E167-S171 PolarHBondContact O-N 2.88Å; E167-S171 PolarHBondContact O-OG 3.23Å; L168-S171 PolarHBondContact O-N 3.36Å; I169-S171 PolarHBondContact O-N 2.93Å
172	G	98.6	Very high	98.5	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.031	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.5	3.4	171.1	0	0	0	0	0	115.7	R146 L168 I169 L170	R146-G172 PolarHBondContact NE-O 2.5Å; R146-G172 VanDerWaalsContact NE-O 3.08Å; R146-G172 PolarHBondContact NH2-O 2.61Å; L168-G172 PolarHBondContact O-N 3.38Å; I169-G172 PolarHBondContact O-N 3.33Å; I169-G172 VanDerWaalsContact O-N 3.11Å; L170-G172 VanDerWaalsContact C-N 3.27Å; L170-G172 PolarHBondContact O-N 3.03Å
173	A	98.8	Very high	98.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.			trans	-69.2	136.9	170	0	0	0	0	0	110.8	H39 V142 A156 L168 I169	H39-A173 PolarHBondContact CD2-O 3.39Å; H39-A173 PolarHBondContact NE2-O 2.75Å; V142-A173 HydrophobicContact CG1-CB 4.08Å; A156-A173 HydrophobicContact CB-CB 3.96Å; L168-A173 HydrophobicContact CB-CB 4.3Å; L168-A173 VanDerWaalsContact O-CB 3.24Å; L168-A173 WeakPolarHBondContact O-CB 3.46Å; L168-A173 PolarHBondContact O-N 3.36Å; I169-A173 WeakPolarHBondContact CA-O 3.46Å
174	D	98.9	Very high	97.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-87	-36	172.2	-63.9	-72.2	0	0	0	111.6	F37 K38 H39 S40 R146 T153 I154 M215	F37-D174 HydrophobicContact CB-CB 3.93Å; F37-D174 HydrophobicContact CD1-CB 4.16Å; F37-D174 HydrophobicContact CG-CB 4.32Å; K38-D174 PolarHBondContact N-OD1 3.5Å; H39-D174 WeakPolarHBondContact CA-OD1 3.34Å; H39-D174 WeakPolarHBondContact CB-OD1 3.26Å; H39-D174 IonicContact CD2-OD1 3.78Å; H39-D174 PolarHBondContact N-OD1 2.89Å; S40-D174 PolarHBondContact N-OD1 3.23Å; S40-D174 VanDerWaalsContact N-OD1 3.1Å; R146-D174 IonicContact CZ-OD2 3.24Å; R146-D174 IonicContact NH2-OD1 3.91Å; R146-D174 IonicContact NH2-OD2 3.05Å; R146-D174 PolarHBondContact NH2-OD2 2.92Å; T153-D174 VanDerWaalsContact CA-OD2 3.25Å; T153-D174 WeakPolarHBondContact CA-OD2 3.49Å; T153-D174 HydrophobicContact CG2-CB 3.76Å; I154-D174 PolarHBondContact N-OD2 3.16Å; I154-D174 PolarHBondContact O-N 3.32Å; D174-M215 PolarHBondContact O-N 3.24Å
175	I	98.9	Very high	97.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.9	-177.2	-46	172.9	0	0	0	108.4	F37 T153 I154 C155 A156 M215 V217 F238	F37-I175 HydrophobicContact CD1-CD1 4.22Å; F37-I175 HydrophobicContact CD1-CG1 4.07Å; F37-I175 HydrophobicContact CE1-CD1 3.57Å; F37-I175 HydrophobicContact CE1-CG1 3.86Å; F37-I175 HydrophobicContact CZ-CD1 4.17Å; T153-I175 HydrophobicContact CG2-CD1 4.07Å; T153-I175 HydrophobicContact CG2-CG1 4.32Å; I154-I175 PolarHBondContact O-N 2.9Å; C155-I175 CarbonylContact C-O 3.59Å; C155-I175 VanDerWaalsContact CA-O 3.22Å; C155-I175 WeakPolarHBondContact CA-O 3.44Å; C155-I175 HydrophobicContact CB-CB 4.12Å; A156-I175 PolarHBondContact N-O 3.05Å; I175-M215 CarbonylContact C-O 3.52Å; I175-M215 VanDerWaalsContact CA-O 3.29Å; I175-M215 WeakPolarHBondContact CA-O 3.21Å; I175-M215 HydrophobicContact CG1-CB 4.26Å; I175-M215 HydrophobicContact CG2-CB 4.34Å; I175-V217 HydrophobicContact CG2-CB 4.34Å; I175-V217 HydrophobicContact CG2-CG1 4.34Å; I175-F238 HydrophobicContact CD1-CD2 4.32Å; I175-F238 HydrophobicContact CD1-CE2 3.88Å; I175-F238 HydrophobicContact CD1-CZ 4.33Å; I175-F238 HydrophobicContact CG2-CD2 4.35Å
176	V	98.9	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.8	175.4	177	0	0	0	0	110.5	A156 V159 C165 L168 I169 V178 M215 I216 V217	A156-V176 CarbonylContact O-C 3.54Å; A156-V176 WeakPolarHBondContact O-CA 3.34Å; V159-V176 HydrophobicContact CG2-CG1 3.33Å; C165-V176 HydrophobicContact CB-CG1 4.25Å; L168-V176 HydrophobicContact CB-CG2 3.98Å; L168-V176 HydrophobicContact CD1-CG1 4.06Å; I169-V176 HydrophobicContact CD1-CG2 4.08Å; I169-V176 HydrophobicContact CG1-CG2 3.68Å; V176-V178 HydrophobicContact CG1-CG2 4.38Å; V176-M215 PolarHBondContact N-O 3.01Å; V176-I216 HydrophobicContact CB-CG2 4.38Å; V176-I216 CarbonylContact O-C 3.52Å; V176-I216 VanDerWaalsContact O-CA 3.25Å; V176-I216 WeakPolarHBondContact O-CA 3.11Å; V176-V217 PolarHBondContact O-N 3.47Å
177	K	98.9	Very high	97.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.2	178.8	-169.9	154.1	74.8	78.3	0	111	D129 A156 N158 V159 V217 D219 M240	D129-K177 WeakPolarHBondContact OD1-CE 3.38Å; D129-K177 IonicContact OD1-NZ 3.85Å; D129-K177 PolarHBondContact OD1-NZ 3.15Å; D129-K177 IonicContact OD2-NZ 3.41Å; A156-K177 PolarHBondContact O-N 3.49Å; N158-K177 VanDerWaalsContact CA-O 3.32Å; N158-K177 WeakPolarHBondContact CA-O 3.5Å; N158-K177 WeakPolarHBondContact OD1-CE 3.46Å; N158-K177 VanDerWaalsContact OD1-CG 3.27Å; N158-K177 WeakPolarHBondContact OD1-CG 3.3Å; N158-K177 PolarHBondContact OD1-NZ 3.04Å; V159-K177 PolarHBondContact N-O 3.32Å; V159-K177 VanDerWaalsContact N-O 3.08Å; K177-V217 VanDerWaalsContact CA-CG1 3.45Å; K177-V217 HydrophobicContact CB-CG1 3.61Å; K177-V217 HydrophobicContact CD-CG1 4.04Å; K177-V217 HydrophobicContact CG-CG1 3.59Å; K177-D219 HydrophobicContact CD-CB 4.01Å; K177-D219 WeakPolarHBondContact CD-OD2 3.38Å; K177-D219 HydrophobicContact CG-CB 3.53Å; K177-D219 WeakPolarHBondContact CG-OD2 3.29Å; K177-D219 IonicContact NZ-OD2 2.8Å; K177-D219 PolarHBondContact NZ-OD2 3.31Å; K177-M240 HydrophobicContact CD-CE 3.87Å; K177-M240 HydrophobicContact CD-SD 3.8Å
178	V	98.9	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.3	-169.7	-178.4	0	0	0	0	109.9	V159 V176 Q198 A201 C205 I216 V217 D219	V159-V178 CarbonylContact O-C 3.51Å; V159-V178 VanDerWaalsContact O-CA 3.26Å; V159-V178 WeakPolarHBondContact O-CA 3.34Å; V176-V178 HydrophobicContact CG1-CG2 4.38Å; V178-Q198 PolarHBondContact O-NE2 2.9Å; V178-A201 HydrophobicContact CG1-CB 3.9Å; V178-C205 HydrophobicContact CG1-CB 4.14Å; V178-C205 HydrophobicContact CG2-CB 3.52Å; V178-I216 HydrophobicContact CG2-CB 3.96Å; V178-I216 HydrophobicContact CG2-CD1 4.16Å; V178-I216 HydrophobicContact CG2-CG2 4.1Å; V178-V217 PolarHBondContact N-O 2.94Å; V178-D219 PolarHBondContact O-N 3.18Å
179	G	98.6	Very high	96.8	Very high	4 Å²	4	23 Å²	23	4%	0.041	14%	0.138	C	C	.	.			trans	152.7	111.8	172.3	0	0	0	0	0	114.4	N158 V159 Q198	N158-G179 VanDerWaalsContact CB-O 3.32Å; N158-G179 WeakPolarHBondContact CB-O 3.23Å; N158-G179 PolarHBondContact ND2-O 2.97Å; V159-G179 PolarHBondContact O-N 2.9Å; G179-Q198 VanDerWaalsContact CA-OE1 3.29Å
180	I	98.2	Very high	96.5	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.072	18%	0.175	C	C	.	.	S	Bend	trans	-118.9	114.3	171.4	-65.3	176.2	0	0	0	109.3	Y134 N158 V160 P182 T188 V194 G195	Y134-I180 HydrophobicContact CD2-CD1 4.17Å; Y134-I180 HydrophobicContact CE2-CD1 3.72Å; N158-I180 HydrophobicContact CB-CG1 4.19Å; V160-I180 HydrophobicContact CG1-CB 3.76Å; V160-I180 HydrophobicContact CG1-CD1 4.37Å; V160-I180 HydrophobicContact CG1-CG1 3.92Å; V160-I180 HydrophobicContact CG2-CD1 4.28Å; I180-P182 WeakPolarHBondContact O-CD 3.12Å; I180-T188 HydrophobicContact CG2-CG2 4.22Å; I180-V194 HydrophobicContact CG2-CG1 4.37Å; I180-G195 WeakPolarHBondContact O-CA 3.47Å
181	G	96.2	Very high	96.2	Very high	12 Å²	12	29.5 Å²	29.5	12%	0.124	17%	0.172	C	C	.	.	S	Bend	trans	81.9	5	-179	0	0	0	0	0	119.9	R189	G181-R189 WeakPolarHBondContact O-CD 3.38Å; G181-R189 PolarHBondContact O-NE 2.75Å
182	P	96.6	Very high	96	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.143	18%	0.182	C	C	.	.			trans	-85.1	-15	-178.6	38.1	-40.9	0	0	0	113.6	I180 Q198 D219 G221	I180-P182 WeakPolarHBondContact O-CD 3.12Å; P182-Q198 HydrophobicContact CB-CB 4.11Å; P182-Q198 HydrophobicContact CB-CG 4.36Å; P182-D219 VanDerWaalsContact CG-O 3.3Å; P182-D219 WeakPolarHBondContact CG-O 3.37Å; P182-G221 WeakPolarHBondContact O-CA 3.35Å; P182-G221 PolarHBondContact O-N 2.78Å
183	G	93.2	Very high	95.9	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	-62.3	144.2	-172.1	0	0	0	0	0	114	V185 C186	G183-V185 PolarHBondContact O-N 2.85Å; G183-C186 WeakPolarHBondContact O-CB 3.3Å; G183-C186 PolarHBondContact O-N 3.22Å
184	S	90.4	Very high	95.8	Very high	59 Å²	59	38.4 Å²	38.4	41%	0.413	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26	-176.4	52.7	0	0	0	0	114.7	F266 K291	S184-F266 WeakPolarHBondContact OG-CE1 3.49Å; S184-K291 WeakPolarHBondContact O-CE 3.46Å; S184-K291 PolarHBondContact O-NZ 2.96Å
185	V	93.3	Very high	95.7	Very high	7 Å²	7	40 Å²	40	4%	0.042	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	10.9	175.1	-70.6	0	0	0	0	113.2	M54 G183 F266 G290 K291 V293	M54-V185 HydrophobicContact CE-CG2 3.83Å; G183-V185 PolarHBondContact O-N 2.85Å; V185-F266 HydrophobicContact CB-CE1 4.13Å; V185-F266 HydrophobicContact CG1-CD1 3.4Å; V185-F266 VanDerWaalsContact CG1-CD1 3.4Å; V185-F266 HydrophobicContact CG1-CE1 3.39Å; V185-F266 HydrophobicContact CG1-CG 4.27Å; V185-F266 HydrophobicContact CG1-CZ 4.24Å; V185-F266 HydrophobicContact CG2-CD1 4.33Å; V185-F266 HydrophobicContact CG2-CE1 3.64Å; V185-F266 HydrophobicContact CG2-CE2 4.34Å; V185-F266 HydrophobicContact CG2-CZ 3.64Å; V185-G290 CarbonylContact O-C 3.55Å; V185-G290 VanDerWaalsContact O-CA 3.24Å; V185-G290 WeakPolarHBondContact O-CA 3.32Å; V185-K291 HydrophobicContact CB-CG 4.18Å; V185-K291 HydrophobicContact CG1-CG 4.39Å; V185-K291 PolarHBondContact O-N 3.23Å; V185-V293 HydrophobicContact CG1-CG1 4.29Å; V185-V293 HydrophobicContact CG1-CG2 3.8Å
186	C	93.6	Very high	95.7	Very high	41 Å²	41	41 Å²	41	28%	0.277	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-83.8	141.3	176.3	-176.5	0	0	0	0	110.5	G183 T188	G183-C186 WeakPolarHBondContact O-CB 3.3Å; G183-C186 PolarHBondContact O-N 3.22Å; C186-T188 PolarHBondContact SG-N 2.67Å; C186-T188 PolarHBondContact SG-OG1 2.89Å
187	T	94.1	Very high	95.6	Very high	23 Å²	23	43 Å²	43	14%	0.141	27%	0.272	C	S	.	.			trans	-123.6	7.9	173.9	60.5	0	0	0	0	113	R189 V190 K191 A288 E289 G290 K291	T187-R189 PolarHBondContact O-N 3.32Å; T187-V190 WeakPolarHBondContact O-CB 3.24Å; T187-V190 PolarHBondContact O-N 3.29Å; T187-K191 WeakPolarHBondContact O-CG 3.11Å; T187-K191 PolarHBondContact O-N 3.19Å; T187-A288 PolarHBondContact OG1-O 2.96Å; T187-E289 PolarHBondContact N-O 2.9Å; T187-E289 WeakPolarHBondContact OG1-CA 3.39Å; T187-E289 PolarHBondContact OG1-O 3.21Å; T187-G290 PolarHBondContact OG1-N 2.86Å; T187-K291 HydrophobicContact CG2-CB 4.03Å; T187-K291 HydrophobicContact CG2-CD 4.46Å; T187-K291 HydrophobicContact CG2-CG 4.23Å
188	T	94.2	Very high	95.6	Very high	21 Å²	21	43.1 Å²	43.1	13%	0.129	27%	0.272	C	S	.	.	H	α-helix	trans	-46.7	-53.2	177.4	-59.6	0	0	0	0	112.2	I180 C186 V190 K191 T192 E289	I180-T188 HydrophobicContact CG2-CG2 4.22Å; C186-T188 PolarHBondContact SG-N 2.67Å; C186-T188 PolarHBondContact SG-OG1 2.89Å; T188-V190 PolarHBondContact O-N 3.09Å; T188-V190 VanDerWaalsContact O-N 3.17Å; T188-K191 PolarHBondContact O-N 3.02Å; T188-T192 HydrophobicContact CG2-CG2 4.49Å; T188-T192 PolarHBondContact O-N 2.77Å; T188-T192 PolarHBondContact O-OG1 3.21Å; T188-E289 VanDerWaalsContact CB-OE2 3.3Å; T188-E289 WeakPolarHBondContact CB-OE2 3.46Å; T188-E289 VanDerWaalsContact CG2-OE2 3.26Å; T188-E289 WeakPolarHBondContact CG2-OE2 3.27Å; T188-E289 PolarHBondContact OG1-OE2 3.19Å
189	R	95.4	Very high	95.6	Very high	102 Å²	102	43.2 Å²	43.2	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-55	-39.6	178.7	-68.6	-180	-177.3	171.1	3.4	113.3	G181 T187 G193 V194 Y196	G181-R189 WeakPolarHBondContact O-CD 3.38Å; G181-R189 PolarHBondContact O-NE 2.75Å; T187-R189 PolarHBondContact O-N 3.32Å; R189-G193 VanDerWaalsContact O-CA 3.23Å; R189-G193 WeakPolarHBondContact O-CA 3.48Å; R189-G193 PolarHBondContact O-N 2.85Å; R189-V194 WeakPolarHBondContact CA-O 2.95Å; R189-V194 WeakPolarHBondContact CG-O 3.42Å; R189-Y196 PolarHBondContact NH2-O 2.81Å
190	V	93.1	Very high	95.6	Very high	127 Å²	127	44 Å²	44	77%	0.77	28%	0.277	S	S	*	.	H	α-helix	trans	-75.2	-36	-178.8	178.7	0	0	0	0	111.1	T187 T188	T187-V190 WeakPolarHBondContact O-CB 3.24Å; T187-V190 PolarHBondContact O-N 3.29Å; T188-V190 PolarHBondContact O-N 3.09Å; T188-V190 VanDerWaalsContact O-N 3.17Å
191	K	92.9	Very high	95.6	Very high	124 Å²	124	43.3 Å²	43.3	54%	0.539	27%	0.274	S	S	.	.	H	α-helix	trans	-83.8	-33.5	-174.9	-66.9	-65.6	-173.4	171.3	0	113.3	T187 T188 A288 E289	T187-K191 WeakPolarHBondContact O-CG 3.11Å; T187-K191 PolarHBondContact O-N 3.19Å; T188-K191 PolarHBondContact O-N 3.02Å; K191-A288 WeakPolarHBondContact CE-O 3.4Å; K191-E289 HydrophobicContact CB-CG 4.44Å
192	T	95	Very high	95.7	Very high	68 Å²	68	42.8 Å²	42.8	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-119.8	-16.3	-171.1	70.8	0	0	0	0	113.3	T188 V194	T188-T192 HydrophobicContact CG2-CG2 4.49Å; T188-T192 PolarHBondContact O-N 2.77Å; T188-T192 PolarHBondContact O-OG1 3.21Å; T192-V194 PolarHBondContact O-N 2.78Å; T192-V194 WeakPolarHBondContact OG1-CB 3.32Å; T192-V194 PolarHBondContact OG1-N 2.9Å; T192-V194 VanDerWaalsContact OG1-N 3.07Å
193	G	95.5	Very high	95.8	Very high	68 Å²	68	44.7 Å²	44.7	70%	0.701	28%	0.277	S	S	*	.	S	Bend	trans	73.8	-0.4	-169.4	0	0	0	0	0	113.9	R189	R189-G193 VanDerWaalsContact O-CA 3.23Å; R189-G193 WeakPolarHBondContact O-CA 3.48Å; R189-G193 PolarHBondContact O-N 2.85Å
194	V	97.1	Very high	96.1	Very high	83 Å²	83	46.5 Å²	46.5	50%	0.503	28%	0.278	S	S	.	.			trans	-92.6	133.9	-175.7	-177.6	0	0	0	0	110.8	I180 R189 T192	I180-V194 HydrophobicContact CG2-CG1 4.37Å; R189-V194 WeakPolarHBondContact CA-O 2.95Å; R189-V194 WeakPolarHBondContact CG-O 3.42Å; T192-V194 PolarHBondContact O-N 2.78Å; T192-V194 WeakPolarHBondContact OG1-CB 3.32Å; T192-V194 PolarHBondContact OG1-N 2.9Å; T192-V194 VanDerWaalsContact OG1-N 3.07Å
195	G	97.1	Very high	96.5	Very high	35 Å²	35	43.7 Å²	43.7	36%	0.361	26%	0.258	S	S	.	.			trans	164.7	176.4	170.9	0	0	0	0	0	112.1	I180	I180-G195 WeakPolarHBondContact O-CA 3.47Å
196	Y	97.7	Very high	96.7	Very high	22 Å²	22	43.4 Å²	43.4	9%	0.086	26%	0.257	C	S	.	.			trans	-141.6	136.7	-178.9	-151.7	-71.7	0	0	0	109.6	K8 V160 T161 R189 Q198 A201 E204	K8-Y196 HydrophobicContact CB-CE1 4.4Å; K8-Y196 HydrophobicContact CD-CE1 3.84Å; K8-Y196 WeakPolarHBondContact CD-OH 3.5Å; K8-Y196 WeakPolarHBondContact CE-OH 3.41Å; K8-Y196 HydrophobicContact CG-CE1 4.13Å; K8-Y196 PolarHBondContact NZ-OH 3.4Å; V160-Y196 HydrophobicContact CB-CD2 4.25Å; V160-Y196 HydrophobicContact CB-CG 4.03Å; V160-Y196 HydrophobicContact CG2-CD2 4Å; V160-Y196 HydrophobicContact CG2-CG 4.18Å; T161-Y196 HydrophobicContact CG2-CD2 4.49Å; T161-Y196 HydrophobicContact CG2-CE2 4.22Å; R189-Y196 PolarHBondContact NH2-O 2.81Å; Y196-Q198 PolarHBondContact O-N 2.89Å; Y196-A201 HydrophobicContact CD1-CB 3.72Å; Y196-A201 HydrophobicContact CE1-CB 4.3Å; Y196-A201 HydrophobicContact CG-CB 4.22Å; Y196-E204 PolarHBondContact OH-OE2 3.26Å
197	P	97.9	Very high	97	Very high	42 Å²	42	47.1 Å²	47.1	27%	0.273	27%	0.274	S	S	.	.			trans	-57.9	124.5	174.5	-30.4	40.7	0	0	0	112.3	K8 L9 L199 S200 A201	K8-P197 HydrophobicContact CB-CB 4.03Å; K8-P197 HydrophobicContact CB-CG 3.61Å; L9-P197 CarbonylContact O-C 3.54Å; L9-P197 VanDerWaalsContact O-CB 3.23Å; L9-P197 WeakPolarHBondContact O-CB 3.26Å; P197-L199 PolarHBondContact O-N 3.47Å; P197-S200 PolarHBondContact O-N 2.98Å; P197-A201 PolarHBondContact O-N 3.08Å
198	Q	98.7	Very high	97.2	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.023	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-38.2	-159.8	-174.6	62.2	16.1	0	0	113.9	F11 V178 G179 P182 Y196 A201 V202 S218	F11-Q198 HydrophobicContact CE1-CG 4.48Å; F11-Q198 HydrophobicContact CE2-CB 3.99Å; F11-Q198 HydrophobicContact CE2-CG 3.6Å; F11-Q198 HydrophobicContact CZ-CB 4.13Å; F11-Q198 HydrophobicContact CZ-CG 3.51Å; V178-Q198 PolarHBondContact O-NE2 2.9Å; G179-Q198 VanDerWaalsContact CA-OE1 3.29Å; P182-Q198 HydrophobicContact CB-CB 4.11Å; P182-Q198 HydrophobicContact CB-CG 4.36Å; Y196-Q198 PolarHBondContact O-N 2.89Å; Q198-A201 PolarHBondContact O-N 2.86Å; Q198-V202 HydrophobicContact CG-CG2 4.35Å; Q198-V202 WeakPolarHBondContact O-CB 3.44Å; Q198-V202 WeakPolarHBondContact O-CG2 3.19Å; Q198-V202 PolarHBondContact O-N 3.02Å; Q198-S218 PolarHBondContact NE2-OG 3.31Å; Q198-S218 VanDerWaalsContact NE2-OG 3.16Å
199	L	98.7	Very high	97.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-43.2	-178	177.6	64.6	0	0	0	111.1	L9 F11 V14 P197 V202 I203 F333	L9-L199 WeakPolarHBondContact O-CB 3.33Å; L9-L199 PolarHBondContact O-N 3.01Å; F11-L199 HydrophobicContact CD1-CB 3.93Å; F11-L199 HydrophobicContact CD1-CD1 4.17Å; F11-L199 HydrophobicContact CE1-CB 4.09Å; F11-L199 HydrophobicContact CE1-CD1 4.08Å; V14-L199 HydrophobicContact CB-CD2 4.31Å; V14-L199 HydrophobicContact CG1-CD2 4.04Å; V14-L199 HydrophobicContact CG2-CD2 3.29Å; P197-L199 PolarHBondContact O-N 3.47Å; L199-V202 PolarHBondContact O-N 3.24Å; L199-I203 HydrophobicContact CD1-CD1 4.21Å; L199-I203 HydrophobicContact CD1-CG1 4.46Å; L199-I203 HydrophobicContact CG-CD1 4.05Å; L199-I203 WeakPolarHBondContact O-CG1 3.42Å; L199-I203 PolarHBondContact O-N 3.15Å; L199-F333 HydrophobicContact CD1-CE2 4.09Å; L199-F333 HydrophobicContact CD1-CZ 3.9Å; L199-F333 HydrophobicContact CD2-CE1 4.45Å; L199-F333 HydrophobicContact CD2-CE2 4.43Å; L199-F333 HydrophobicContact CD2-CZ 4.35Å
200	S	98.6	Very high	97.6	Very high	20 Å²	20	44.6 Å²	44.6	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-41.2	174.8	-71.5	0	0	0	0	112.3	K8 L9 P197 V202 I203 E204	K8-S200 WeakPolarHBondContact CA-OG 3.45Å; L9-S200 PolarHBondContact N-OG 3.4Å; L9-S200 PolarHBondContact O-N 3.24Å; P197-S200 PolarHBondContact O-N 2.98Å; S200-V202 VanDerWaalsContact C-N 3.33Å; S200-V202 PolarHBondContact O-N 3.24Å; S200-I203 PolarHBondContact O-N 3.14Å; S200-E204 WeakPolarHBondContact O-CB 3.27Å; S200-E204 PolarHBondContact O-N 2.84Å
201	A	98.7	Very high	97.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-43.1	174.5	0	0	0	0	0	111.7	V160 V178 Y196 P197 Q198 E204 C205	V160-A201 HydrophobicContact CB-CB 4.04Å; V160-A201 HydrophobicContact CG1-CB 4.26Å; V178-A201 HydrophobicContact CG1-CB 3.9Å; Y196-A201 HydrophobicContact CD1-CB 3.72Å; Y196-A201 HydrophobicContact CE1-CB 4.3Å; Y196-A201 HydrophobicContact CG-CB 4.22Å; P197-A201 PolarHBondContact O-N 3.08Å; Q198-A201 PolarHBondContact O-N 2.86Å; A201-E204 PolarHBondContact O-N 2.99Å; A201-C205 WeakPolarHBondContact O-CB 3.48Å; A201-C205 PolarHBondContact O-N 2.9Å; A201-C205 PolarHBondContact O-SG 3.26Å; A201-C205 VanDerWaalsContact O-SG 3.34Å
202	V	98.8	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-46.2	176.5	164.7	0	0	0	0	111.5	Q198 L199 S200 A206 I216 S218 A236	Q198-V202 HydrophobicContact CG-CG2 4.35Å; Q198-V202 WeakPolarHBondContact O-CB 3.44Å; Q198-V202 WeakPolarHBondContact O-CG2 3.19Å; Q198-V202 PolarHBondContact O-N 3.02Å; L199-V202 PolarHBondContact O-N 3.24Å; S200-V202 VanDerWaalsContact C-N 3.33Å; S200-V202 PolarHBondContact O-N 3.24Å; V202-A206 WeakPolarHBondContact O-CB 3.41Å; V202-A206 PolarHBondContact O-N 3.44Å; V202-I216 HydrophobicContact CG1-CD1 4.12Å; V202-I216 WeakPolarHBondContact O-CD1 3.13Å; V202-S218 VanDerWaalsContact CG2-CB 3.5Å; V202-S218 WeakPolarHBondContact CG2-OG 3.29Å; V202-A236 HydrophobicContact CG1-CB 3.93Å
203	I	98.5	Very high	98.2	Very high	62 Å²	62	37.2 Å²	37.2	32%	0.318	25%	0.25	S	S	.	.	H	α-helix	trans	-62.7	-49.5	179.5	-68.1	164.3	0	0	0	110.5	L199 S200 A206 D207 G234 F333	L199-I203 HydrophobicContact CD1-CD1 4.21Å; L199-I203 HydrophobicContact CD1-CG1 4.46Å; L199-I203 HydrophobicContact CG-CD1 4.05Å; L199-I203 WeakPolarHBondContact O-CG1 3.42Å; L199-I203 PolarHBondContact O-N 3.15Å; S200-I203 PolarHBondContact O-N 3.14Å; I203-A206 PolarHBondContact O-N 2.77Å; I203-D207 PolarHBondContact O-N 3.42Å; I203-D207 VanDerWaalsContact O-N 3.15Å; I203-G234 WeakPolarHBondContact CA-O 3.42Å; I203-G234 WeakPolarHBondContact CG1-O 3.15Å; I203-F333 HydrophobicContact CD1-CE2 4.38Å
204	E	98.5	Very high	98.3	Very high	66 Å²	66	34.1 Å²	34.1	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-48	-179	-171.7	-175.5	137.4	0	0	112.1	T161 G162 Y196 S200 A201 A208	T161-E204 VanDerWaalsContact CA-OE1 3.23Å; T161-E204 WeakPolarHBondContact CA-OE1 3.44Å; T161-E204 WeakPolarHBondContact CB-OE1 3.15Å; G162-E204 PolarHBondContact N-OE1 2.89Å; Y196-E204 PolarHBondContact OH-OE2 3.26Å; S200-E204 WeakPolarHBondContact O-CB 3.27Å; S200-E204 PolarHBondContact O-N 2.84Å; A201-E204 PolarHBondContact O-N 2.99Å; E204-A208 PolarHBondContact O-N 2.98Å
205	C	98.8	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73	-30.6	-179.7	-64.9	0	0	0	0	112.9	V160 T161 C165 V178 A201 A209 I216	V160-C205 VanDerWaalsContact C-SG 3.53Å; T161-C205 VanDerWaalsContact C-SG 3.51Å; T161-C205 PolarHBondContact O-SG 3Å; T161-C205 VanDerWaalsContact O-SG 3.34Å; C165-C205 HydrophobicContact CB-CB 4.23Å; V178-C205 HydrophobicContact CG1-CB 4.14Å; V178-C205 HydrophobicContact CG2-CB 3.52Å; A201-C205 WeakPolarHBondContact O-CB 3.48Å; A201-C205 PolarHBondContact O-N 2.9Å; A201-C205 PolarHBondContact O-SG 3.26Å; A201-C205 VanDerWaalsContact O-SG 3.34Å; C205-A209 VanDerWaalsContact O-CB 3.26Å; C205-A209 WeakPolarHBondContact O-CB 3.37Å; C205-A209 PolarHBondContact O-N 2.85Å; C205-I216 HydrophobicContact CB-CD1 4.42Å; C205-I216 HydrophobicContact CB-CG2 4.25Å; C205-I216 WeakPolarHBondContact O-CG2 3.42Å
206	A	98.8	Very high	98.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-48.4	175.8	0	0	0	0	0	110.4	V202 I203 A208 A209 H210 I216 G235	V202-A206 WeakPolarHBondContact O-CB 3.41Å; V202-A206 PolarHBondContact O-N 3.44Å; I203-A206 PolarHBondContact O-N 2.77Å; A206-A208 VanDerWaalsContact C-N 3.32Å; A206-A208 PolarHBondContact O-N 3.44Å; A206-A209 PolarHBondContact O-N 3.28Å; A206-H210 VanDerWaalsContact O-CB 3.29Å; A206-H210 WeakPolarHBondContact O-CB 3.44Å; A206-H210 PolarHBondContact O-N 2.83Å; A206-H210 PolarHBondContact O-ND1 3.33Å; A206-I216 HydrophobicContact CB-CD1 3.72Å; A206-I216 HydrophobicContact CB-CG1 4.24Å; A206-G235 WeakPolarHBondContact CB-O 3.25Å
207	D	98.3	Very high	98.5	Very high	118 Å²	118	28.4 Å²	28.4	63%	0.631	18%	0.178	S	C	*	.	H	α-helix	trans	-58.2	-46.2	178	-74.7	-14.1	0	0	0	111	I203 G211	I203-D207 PolarHBondContact O-N 3.42Å; I203-D207 VanDerWaalsContact O-N 3.15Å; D207-G211 PolarHBondContact O-N 3.38Å; D207-G211 VanDerWaalsContact O-N 3.09Å
208	A	98.6	Very high	98.6	Very high	11 Å²	11	26.4 Å²	26.4	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-50	176.9	0	0	0	0	0	112.7	C165 E166 E204 A206 G211 L212	C165-A208 HydrophobicContact CB-CB 4.43Å; E166-A208 HydrophobicContact CG-CB 4.04Å; E204-A208 PolarHBondContact O-N 2.98Å; A206-A208 VanDerWaalsContact C-N 3.32Å; A206-A208 PolarHBondContact O-N 3.44Å; A208-G211 PolarHBondContact O-N 3.4Å; A208-L212 PolarHBondContact O-N 3.4Å
209	A	98.8	Very high	98.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-47.3	-178.3	0	0	0	0	0	112.5	I169 C205 A206 G211 L212 G213 G214 I216	I169-A209 HydrophobicContact CD1-CB 3.53Å; C205-A209 VanDerWaalsContact O-CB 3.26Å; C205-A209 WeakPolarHBondContact O-CB 3.37Å; C205-A209 PolarHBondContact O-N 2.85Å; A206-A209 PolarHBondContact O-N 3.28Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 3.39Å; A209-L212 CarbonylContact O-C 3.55Å; A209-L212 PolarHBondContact O-N 2.86Å; A209-G213 PolarHBondContact O-N 3.24Å; A209-G213 VanDerWaalsContact O-N 3.11Å; A209-G214 CarbonylContact C-O 3.55Å; A209-G214 PolarHBondContact O-N 2.85Å; A209-I216 HydrophobicContact CB-CG2 3.45Å; A209-I216 VanDerWaalsContact CB-CG2 3.45Å
210	H	98.5	Very high	98.5	Very high	83 Å²	83	27.7 Å²	27.7	38%	0.384	17%	0.174	S	C	.	.	H	α-helix	trans	-65.2	-34.5	-178.3	-64.7	170	0	0	0	111.5	A206 L212 G213 G235 D237	A206-H210 VanDerWaalsContact O-CB 3.29Å; A206-H210 WeakPolarHBondContact O-CB 3.44Å; A206-H210 PolarHBondContact O-N 2.83Å; A206-H210 PolarHBondContact O-ND1 3.33Å; H210-L212 PolarHBondContact O-N 3Å; H210-G213 PolarHBondContact O-N 2.69Å; H210-G235 PolarHBondContact CE1-O 3.15Å; H210-G235 VanDerWaalsContact CE1-O 3.23Å; H210-D237 IonicContact CD2-OD2 2.78Å; H210-D237 IonicContact CE1-OD2 2.68Å; H210-D237 IonicContact NE2-OD1 2.79Å; H210-D237 PolarHBondContact NE2-OD1 3.17Å; H210-D237 IonicContact NE2-OD2 3.26Å; H210-D237 PolarHBondContact NE2-OD2 3.47Å
211	G	98.1	Very high	98.4	Very high	67 Å²	67	27.9 Å²	27.9	69%	0.691	18%	0.18	S	C	*	.	H	α-helix	trans	-58.6	-29	172.8	0	0	0	0	0	113.6	D207 A208 A209	D207-G211 PolarHBondContact O-N 3.38Å; D207-G211 VanDerWaalsContact O-N 3.09Å; A208-G211 PolarHBondContact O-N 3.4Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 3.39Å
212	L	98.2	Very high	98.4	Very high	54 Å²	54	28.5 Å²	28.5	28%	0.283	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	2	176.3	-64.5	-177.5	0	0	0	113.9	K38 E166 I169 L170 A208 A209 H210 G214	K38-L212 VanDerWaalsContact CD-O 3.27Å; K38-L212 WeakPolarHBondContact CD-O 3.41Å; K38-L212 VanDerWaalsContact CE-O 3.26Å; K38-L212 WeakPolarHBondContact CE-O 3.44Å; K38-L212 PolarHBondContact NZ-O 3.05Å; E166-L212 HydrophobicContact CB-CD1 3.66Å; E166-L212 HydrophobicContact CG-CD1 3.68Å; E166-L212 HydrophobicContact CG-CG 4.41Å; I169-L212 HydrophobicContact CB-CD1 4.34Å; I169-L212 HydrophobicContact CG2-CB 3.97Å; I169-L212 HydrophobicContact CG2-CD1 4.23Å; L170-L212 HydrophobicContact CD2-CD1 4.33Å; L170-L212 HydrophobicContact CG-CD1 4.12Å; A208-L212 PolarHBondContact O-N 3.4Å; A209-L212 CarbonylContact O-C 3.55Å; A209-L212 PolarHBondContact O-N 2.86Å; H210-L212 PolarHBondContact O-N 3Å; L212-G214 PolarHBondContact O-N 2.85Å
213	G	97.7	Very high	98.3	Very high	43 Å²	43	33 Å²	33	44%	0.443	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	10.9	-174.3	0	0	0	0	0	114.7	A209 H210	A209-G213 PolarHBondContact O-N 3.24Å; A209-G213 VanDerWaalsContact O-N 3.11Å; H210-G213 PolarHBondContact O-N 2.69Å
214	G	98.5	Very high	98.2	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.031	21%	0.211	C	C	.	.			trans	-82.7	-179.6	167.9	0	0	0	0	0	111.7	A209 L212	A209-G214 CarbonylContact C-O 3.55Å; A209-G214 PolarHBondContact O-N 2.85Å; L212-G214 PolarHBondContact O-N 2.85Å
215	M	98.8	Very high	98.2	Very high	20 Å²	20	30.5 Å²	30.5	10%	0.099	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	167.4	179.5	-66.9	178	-165.8	0	0	110.7	F35 F37 D174 I175 V176 D237 F238	F35-M215 HydrophobicContact CB-CE 3.81Å; F35-M215 HydrophobicContact CB-SD 4.03Å; F35-M215 HydrophobicContact CD1-CE 3.41Å; F35-M215 VanDerWaalsContact CD1-CE 3.41Å; F35-M215 HydrophobicContact CD1-SD 3.5Å; F35-M215 VanDerWaalsContact CD1-SD 3.5Å; F35-M215 HydrophobicContact CD2-SD 4.48Å; F35-M215 HydrophobicContact CE1-CE 4.21Å; F35-M215 HydrophobicContact CE1-SD 3.94Å; F35-M215 HydrophobicContact CG-CE 3.91Å; F35-M215 HydrophobicContact CG-SD 3.78Å; F37-M215 HydrophobicContact CD1-CE 4.27Å; F37-M215 HydrophobicContact CD1-SD 3.82Å; F37-M215 HydrophobicContact CE1-CE 4.47Å; F37-M215 HydrophobicContact CE1-SD 3.64Å; D174-M215 PolarHBondContact O-N 3.24Å; I175-M215 CarbonylContact C-O 3.52Å; I175-M215 VanDerWaalsContact CA-O 3.29Å; I175-M215 WeakPolarHBondContact CA-O 3.21Å; I175-M215 HydrophobicContact CG1-CB 4.26Å; I175-M215 HydrophobicContact CG2-CB 4.34Å; V176-M215 PolarHBondContact N-O 3.01Å; M215-D237 VanDerWaalsContact CA-OD2 3.23Å; M215-D237 WeakPolarHBondContact CA-OD2 3.49Å; M215-D237 HydrophobicContact CB-CB 3.98Å; M215-D237 WeakPolarHBondContact CB-OD2 3.34Å; M215-D237 HydrophobicContact CG-CB 4.27Å; M215-D237 HydrophobicContact SD-CB 4.49Å; M215-F238 HydrophobicContact SD-CE2 4.18Å
216	I	98.9	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.6	172.1	69.2	159.2	0	0	0	113.3	V176 V178 V202 C205 A206 A209 A236 D237 F238	V176-I216 HydrophobicContact CB-CG2 4.38Å; V176-I216 CarbonylContact O-C 3.52Å; V176-I216 VanDerWaalsContact O-CA 3.25Å; V176-I216 WeakPolarHBondContact O-CA 3.11Å; V178-I216 HydrophobicContact CG2-CB 3.96Å; V178-I216 HydrophobicContact CG2-CD1 4.16Å; V178-I216 HydrophobicContact CG2-CG2 4.1Å; V202-I216 HydrophobicContact CG1-CD1 4.12Å; V202-I216 WeakPolarHBondContact O-CD1 3.13Å; C205-I216 HydrophobicContact CB-CD1 4.42Å; C205-I216 HydrophobicContact CB-CG2 4.25Å; C205-I216 WeakPolarHBondContact O-CG2 3.42Å; A206-I216 HydrophobicContact CB-CD1 3.72Å; A206-I216 HydrophobicContact CB-CG1 4.24Å; A209-I216 HydrophobicContact CB-CG2 3.45Å; A209-I216 VanDerWaalsContact CB-CG2 3.45Å; I216-A236 HydrophobicContact CD1-CB 4.37Å; I216-A236 HydrophobicContact CG1-CB 4.46Å; I216-D237 PolarHBondContact N-OD2 3.23Å; I216-D237 WeakPolarHBondContact O-CB 3.43Å; I216-D237 PolarHBondContact O-N 3.15Å; I216-D237 VanDerWaalsContact O-N 3.14Å; I216-F238 PolarHBondContact O-N 3.42Å
217	V	98.9	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.3	162.4	60.3	0	0	0	0	110	I50 I175 V176 K177 V178 D219 F238 M240	I50-V217 HydrophobicContact CD1-CG2 4.02Å; I175-V217 HydrophobicContact CG2-CB 4.34Å; I175-V217 HydrophobicContact CG2-CG1 4.34Å; V176-V217 PolarHBondContact O-N 3.47Å; K177-V217 VanDerWaalsContact CA-CG1 3.45Å; K177-V217 HydrophobicContact CB-CG1 3.61Å; K177-V217 HydrophobicContact CD-CG1 4.04Å; K177-V217 HydrophobicContact CG-CG1 3.59Å; V178-V217 PolarHBondContact N-O 2.94Å; V217-D219 PolarHBondContact O-N 2.85Å; V217-F238 CarbonylContact C-O 3.58Å; V217-F238 VanDerWaalsContact CA-O 3.31Å; V217-F238 WeakPolarHBondContact CA-O 3.31Å; V217-F238 HydrophobicContact CB-CB 3.84Å; V217-F238 HydrophobicContact CG2-CB 3.77Å; V217-M240 HydrophobicContact CG2-CB 3.63Å
218	S	98.9	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.5	167.7	174.5	0	0	0	0	109.2	Q198 V202 F238 M240	Q198-S218 PolarHBondContact NE2-OG 3.31Å; Q198-S218 VanDerWaalsContact NE2-OG 3.16Å; V202-S218 VanDerWaalsContact CG2-CB 3.5Å; V202-S218 WeakPolarHBondContact CG2-OG 3.29Å; S218-F238 PolarHBondContact N-O 3.17Å; S218-M240 PolarHBondContact O-N 3.09Å
219	D	98.8	Very high	98.2	Very high	23 Å²	23	26.3 Å²	26.3	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.6	-176.5	179.4	18.1	0	0	0	112.7	N158 K177 V178 P182 V217 M240	N158-D219 PolarHBondContact ND2-OD2 2.69Å; K177-D219 HydrophobicContact CD-CB 4.01Å; K177-D219 WeakPolarHBondContact CD-OD2 3.38Å; K177-D219 HydrophobicContact CG-CB 3.53Å; K177-D219 WeakPolarHBondContact CG-OD2 3.29Å; K177-D219 IonicContact NZ-OD2 2.8Å; K177-D219 PolarHBondContact NZ-OD2 3.31Å; V178-D219 PolarHBondContact O-N 3.18Å; P182-D219 VanDerWaalsContact CG-O 3.3Å; P182-D219 WeakPolarHBondContact CG-O 3.37Å; V217-D219 PolarHBondContact O-N 2.85Å; D219-M240 HydrophobicContact CB-CB 4.15Å; D219-M240 HydrophobicContact CB-SD 4.41Å
220	G	97.2	Very high	98.2	Very high	11 Å²	11	27 Å²	27	11%	0.113	19%	0.192	C	C	.	.	S	Bend	trans	88.2	175.1	175.6	0	0	0	0	0	114.9	C222 M240	G220-C222 PolarHBondContact O-N 2.85Å; G220-C222 VanDerWaalsContact O-N 3.14Å; G220-M240 PolarHBondContact N-O 3.11Å
221	G	96.3	Very high	98.3	Very high	24 Å²	24	23.1 Å²	23.1	25%	0.247	17%	0.174	C	C	.	.			trans	78.5	-18.1	179.6	0	0	0	0	0	116.2	P182 T223	P182-G221 WeakPolarHBondContact O-CA 3.35Å; P182-G221 PolarHBondContact O-N 2.78Å; G221-T223 PolarHBondContact O-N 2.76Å
222	C	98.5	Very high	98.3	Very high	13 Å²	13	20 Å²	20	9%	0.088	14%	0.141	C	C	.	.			trans	-72	127.7	173.6	-66.8	0	0	0	0	110.8	G220 D227 V228 L241 M244	G220-C222 PolarHBondContact O-N 2.85Å; G220-C222 VanDerWaalsContact O-N 3.14Å; C222-D227 HydrophobicContact CB-CB 3.96Å; C222-V228 HydrophobicContact CB-CG2 4.17Å; C222-L241 HydrophobicContact CB-CD2 3.71Å; C222-M244 HydrophobicContact CB-SD 3.89Å
223	T	97	Very high	98.3	Very high	95 Å²	95	17.7 Å²	17.7	58%	0.583	13%	0.13	S	C	*	.			trans	-121.2	-16.6	177.8	56	0	0	0	0	112.9	G221 D227	G221-T223 PolarHBondContact O-N 2.76Å; T223-D227 PolarHBondContact N-OD2 3.06Å; T223-D227 PolarHBondContact OG1-OD2 3.28Å
224	T	97.3	Very high	98.4	Very high	50 Å²	50	16 Å²	16	31%	0.307	11%	0.112	S	C	.	.	S	Bend	trans	-138.3	159.6	-178.8	67.2	0	0	0	0	110.4	G226 D227 V228 M244	T224-G226 PolarHBondContact O-N 3.2Å; T224-G226 VanDerWaalsContact O-N 3.16Å; T224-G226 PolarHBondContact OG1-N 3.48Å; T224-D227 PolarHBondContact N-OD2 3.23Å; T224-D227 VanDerWaalsContact N-OD2 3.16Å; T224-D227 WeakPolarHBondContact O-CB 3.48Å; T224-D227 PolarHBondContact O-N 3.36Å; T224-D227 PolarHBondContact OG1-N 2.88Å; T224-D227 PolarHBondContact OG1-OD2 2.89Å; T224-V228 PolarHBondContact O-N 2.88Å; T224-M244 VanDerWaalsContact C-CE 3.46Å
225	P	98.3	Very high	98.4	Very high	24 Å²	24	16 Å²	16	16%	0.156	11%	0.113	C	C	.	.	H	α-helix	trans	-54.6	-30.2	170.6	-27.5	35.7	0	0	0	113.7	D227 V228 A229 M244 D307 I308	P225-D227 VanDerWaalsContact C-N 3.33Å; P225-D227 PolarHBondContact O-N 3.1Å; P225-V228 WeakPolarHBondContact O-CB 3.16Å; P225-V228 PolarHBondContact O-N 2.74Å; P225-A229 PolarHBondContact O-N 3.02Å; P225-M244 HydrophobicContact CG-CE 4.46Å; P225-D307 VanDerWaalsContact CG-OD2 3.27Å; P225-D307 WeakPolarHBondContact CG-OD2 3.38Å; P225-I308 HydrophobicContact CG-CG1 4.35Å
226	G	98.3	Very high	98.4	Very high	36 Å²	36	15.1 Å²	15.1	37%	0.371	11%	0.109	S	C	.	.	H	α-helix	trans	-64.4	-35.3	175.5	0	0	0	0	0	113	T224 A229 K230	T224-G226 PolarHBondContact O-N 3.2Å; T224-G226 VanDerWaalsContact O-N 3.16Å; T224-G226 PolarHBondContact OG1-N 3.48Å; G226-A229 PolarHBondContact O-N 3Å; G226-K230 VanDerWaalsContact O-CG 3.26Å; G226-K230 WeakPolarHBondContact O-CG 3.33Å; G226-K230 PolarHBondContact O-N 3.03Å
227	D	98.6	Very high	98.4	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-68.8	-38.6	175.8	-58.5	-32.4	0	0	0	111.3	F11 C222 T223 T224 P225 A229 K230 A231	F11-D227 HydrophobicContact CB-CB 4.1Å; F11-D227 WeakPolarHBondContact CB-OD1 3.37Å; F11-D227 HydrophobicContact CD2-CB 3.99Å; F11-D227 HydrophobicContact CG-CB 4.07Å; C222-D227 HydrophobicContact CB-CB 3.96Å; T223-D227 PolarHBondContact N-OD2 3.06Å; T223-D227 PolarHBondContact OG1-OD2 3.28Å; T224-D227 PolarHBondContact N-OD2 3.23Å; T224-D227 VanDerWaalsContact N-OD2 3.16Å; T224-D227 WeakPolarHBondContact O-CB 3.48Å; T224-D227 PolarHBondContact O-N 3.36Å; T224-D227 PolarHBondContact OG1-N 2.88Å; T224-D227 PolarHBondContact OG1-OD2 2.89Å; P225-D227 VanDerWaalsContact C-N 3.33Å; P225-D227 PolarHBondContact O-N 3.1Å; D227-A229 VanDerWaalsContact C-N 3.31Å; D227-A229 PolarHBondContact O-N 3.42Å; D227-K230 PolarHBondContact O-N 3.09Å; D227-K230 VanDerWaalsContact O-N 3.14Å; D227-K230 IonicContact OD1-NZ 3.29Å; D227-A231 PolarHBondContact O-N 3.2Å
228	V	98.8	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-43.6	173.6	-172.4	0	0	0	0	110.4	C222 T224 P225 K230 A231 F232 V239 L241 M244 I308 L312	C222-V228 HydrophobicContact CB-CG2 4.17Å; T224-V228 PolarHBondContact O-N 2.88Å; P225-V228 WeakPolarHBondContact O-CB 3.16Å; P225-V228 PolarHBondContact O-N 2.74Å; V228-K230 VanDerWaalsContact C-N 3.34Å; V228-K230 PolarHBondContact O-N 3.08Å; V228-A231 PolarHBondContact O-N 3.02Å; V228-F232 HydrophobicContact CG1-CD2 4.03Å; V228-F232 HydrophobicContact CG1-CE2 3.63Å; V228-F232 VanDerWaalsContact O-CD2 3.25Å; V228-F232 WeakPolarHBondContact O-CD2 3.26Å; V228-F232 PolarHBondContact O-N 3.19Å; V228-F232 VanDerWaalsContact O-N 3.12Å; V228-V239 HydrophobicContact CG1-CB 4.09Å; V228-V239 HydrophobicContact CG1-CG1 4.05Å; V228-V239 HydrophobicContact CG1-CG2 4.13Å; V228-L241 HydrophobicContact CG2-CD1 4.42Å; V228-L241 HydrophobicContact CG2-CD2 4.02Å; V228-M244 HydrophobicContact CG2-CE 4.32Å; V228-M244 HydrophobicContact CG2-SD 4.09Å; V228-I308 HydrophobicContact CG1-CG2 4.4Å; V228-I308 HydrophobicContact CG2-CG2 4.33Å; V228-L312 HydrophobicContact CB-CD2 4.36Å; V228-L312 HydrophobicContact CG1-CD1 4.1Å; V228-L312 HydrophobicContact CG1-CD2 4.03Å; V228-L312 HydrophobicContact CG1-CG 4.38Å
229	A	98.7	Very high	98.4	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-39.3	175	0	0	0	0	0	112.5	I16 P225 G226 D227 G233 L312 A315	I16-A229 HydrophobicContact CD1-CB 4.3Å; P225-A229 PolarHBondContact O-N 3.02Å; G226-A229 PolarHBondContact O-N 3Å; D227-A229 VanDerWaalsContact C-N 3.31Å; D227-A229 PolarHBondContact O-N 3.42Å; A229-G233 PolarHBondContact O-N 3.15Å; A229-L312 HydrophobicContact CB-CD2 3.94Å; A229-A315 HydrophobicContact CB-CB 3.69Å
230	K	98.8	Very high	98.4	Very high	15 Å²	15	14.6 Å²	14.6	7%	0.065	11%	0.106	C	C	.	.	H	α-helix	trans	-67.9	-37.3	175.8	-66.5	164.9	-168.6	171.8	0	111.7	F11 V14 I16 G226 D227 V228 G233 G234 F333	F11-K230 HydrophobicContact CB-CD 4.03Å; F11-K230 HydrophobicContact CD1-CB 3.83Å; F11-K230 HydrophobicContact CE1-CB 4.48Å; F11-K230 VanDerWaalsContact O-CD 3.26Å; F11-K230 WeakPolarHBondContact O-CD 3.47Å; F11-K230 WeakPolarHBondContact O-CE 3.5Å; F11-K230 PolarHBondContact O-NZ 3.19Å; V14-K230 HydrophobicContact CG2-CD 4.24Å; V14-K230 WeakPolarHBondContact O-CE 3.13Å; V14-K230 PolarHBondContact O-NZ 2.77Å; I16-K230 HydrophobicContact CD1-CG 4.24Å; I16-K230 HydrophobicContact CG1-CG 4.29Å; G226-K230 VanDerWaalsContact O-CG 3.26Å; G226-K230 WeakPolarHBondContact O-CG 3.33Å; G226-K230 PolarHBondContact O-N 3.03Å; D227-K230 PolarHBondContact O-N 3.09Å; D227-K230 VanDerWaalsContact O-N 3.14Å; D227-K230 IonicContact OD1-NZ 3.29Å; V228-K230 VanDerWaalsContact C-N 3.34Å; V228-K230 PolarHBondContact O-N 3.08Å; K230-G233 CarbonylContact O-C 3.54Å; K230-G233 PolarHBondContact O-N 2.84Å; K230-G234 PolarHBondContact O-N 3.34Å; K230-F333 HydrophobicContact CB-CE1 4.1Å; K230-F333 HydrophobicContact CB-CZ 4.47Å; K230-F333 HydrophobicContact CG-CE1 4.11Å; K230-F333 WeakPolarHBondContact O-CZ 3.49Å
231	A	98.9	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-49.7	175.1	0	0	0	0	0	111.7	F11 D227 V228 G233 G234 G235 A236 V239	F11-A231 HydrophobicContact CE1-CB 3.84Å; F11-A231 HydrophobicContact CZ-CB 3.86Å; D227-A231 PolarHBondContact O-N 3.2Å; V228-A231 PolarHBondContact O-N 3.02Å; A231-G233 VanDerWaalsContact C-N 3.34Å; A231-G233 PolarHBondContact O-N 3.09Å; A231-G234 PolarHBondContact O-N 2.9Å; A231-G234 VanDerWaalsContact O-N 3.17Å; A231-G235 PolarHBondContact O-N 2.88Å; A231-A236 VanDerWaalsContact O-CB 3.31Å; A231-A236 WeakPolarHBondContact O-CB 3.45Å; A231-A236 PolarHBondContact O-N 2.9Å; A231-A236 VanDerWaalsContact O-N 3.15Å; A231-V239 HydrophobicContact CB-CG1 4.37Å; A231-V239 HydrophobicContact CB-CG2 3.62Å
232	F	98.9	Very high	98.5	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-41.1	173	-71.8	-58.8	0	0	0	112.4	P48 I49 V228 G234 G235 A236 V239 L312 L324 L327 T328	P48-F232 HydrophobicContact CB-CE1 4.32Å; P48-F232 HydrophobicContact CG-CE1 3.66Å; P48-F232 HydrophobicContact CG-CZ 3.78Å; P48-F232 WeakPolarHBondContact O-CZ 3.34Å; I49-F232 HydrophobicContact CG1-CE2 4.47Å; I49-F232 HydrophobicContact CG1-CZ 4.31Å; V228-F232 HydrophobicContact CG1-CD2 4.03Å; V228-F232 HydrophobicContact CG1-CE2 3.63Å; V228-F232 VanDerWaalsContact O-CD2 3.25Å; V228-F232 WeakPolarHBondContact O-CD2 3.26Å; V228-F232 PolarHBondContact O-N 3.19Å; V228-F232 VanDerWaalsContact O-N 3.12Å; F232-G234 PolarHBondContact O-N 3.38Å; F232-G235 PolarHBondContact O-N 2.81Å; F232-A236 WeakPolarHBondContact CD1-O 3.4Å; F232-V239 HydrophobicContact CD1-CG2 4.06Å; F232-V239 HydrophobicContact CD2-CG2 4.01Å; F232-V239 HydrophobicContact CE1-CG2 3.78Å; F232-V239 HydrophobicContact CE2-CB 4.41Å; F232-V239 HydrophobicContact CE2-CG2 3.76Å; F232-V239 HydrophobicContact CG-CG2 4.15Å; F232-V239 HydrophobicContact CZ-CB 4.16Å; F232-V239 HydrophobicContact CZ-CG2 3.62Å; F232-L312 HydrophobicContact CD2-CD1 4.4Å; F232-L312 HydrophobicContact CD2-CD2 3.7Å; F232-L312 HydrophobicContact CE2-CD1 3.88Å; F232-L312 HydrophobicContact CE2-CD2 4.02Å; F232-L324 HydrophobicContact CB-CD1 4.29Å; F232-L324 HydrophobicContact CD1-CD2 4.4Å; F232-L324 HydrophobicContact CD2-CD1 4.03Å; F232-L324 HydrophobicContact CD2-CD2 4.41Å; F232-L324 HydrophobicContact CE1-CD2 4.19Å; F232-L324 HydrophobicContact CE2-CD2 4.16Å; F232-L324 HydrophobicContact CG-CD1 4.08Å; F232-L324 HydrophobicContact CZ-CD2 4.07Å; F232-L327 HydrophobicContact CB-CD2 3.76Å; F232-T328 PolarHBondContact O-OG1 2.96Å
233	G	98.6	Very high	98.5	Very high	5 Å²	5	14 Å²	14	5%	0.052	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-30.3	175.4	0	0	0	0	0	113.3	A229 K230 A231 G235 T331	A229-G233 PolarHBondContact O-N 3.15Å; K230-G233 CarbonylContact O-C 3.54Å; K230-G233 PolarHBondContact O-N 2.84Å; A231-G233 VanDerWaalsContact C-N 3.34Å; A231-G233 PolarHBondContact O-N 3.09Å; G233-G235 VanDerWaalsContact C-N 3.3Å; G233-T331 VanDerWaalsContact CA-OG1 3.27Å; G233-T331 WeakPolarHBondContact CA-OG1 3.37Å
234	G	98.6	Very high	98.5	Very high	7 Å²	7	10.2 Å²	10.2	7%	0.072	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.7	174.6	0	0	0	0	0	114.9	I203 K230 A231 F232	I203-G234 WeakPolarHBondContact CA-O 3.42Å; I203-G234 WeakPolarHBondContact CG1-O 3.15Å; K230-G234 PolarHBondContact O-N 3.34Å; A231-G234 PolarHBondContact O-N 2.9Å; A231-G234 VanDerWaalsContact O-N 3.17Å; F232-G234 PolarHBondContact O-N 3.38Å
235	G	98.5	Very high	98.6	Very high	4 Å²	4	8 Å²	8	4%	0.041	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.1	1.8	175.3	0	0	0	0	0	115.2	A206 H210 A231 F232 G233 D237	A206-G235 WeakPolarHBondContact CB-O 3.25Å; H210-G235 PolarHBondContact CE1-O 3.15Å; H210-G235 VanDerWaalsContact CE1-O 3.23Å; A231-G235 PolarHBondContact O-N 2.88Å; F232-G235 PolarHBondContact O-N 2.81Å; G233-G235 VanDerWaalsContact C-N 3.3Å; G235-D237 PolarHBondContact O-N 3.28Å
236	A	98.8	Very high	98.6	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.008	6%	0.057	C	C	.	.			trans	-60.4	133.2	174.4	0	0	0	0	0	111.3	V202 I216 A231 F232 F238 V239	V202-A236 HydrophobicContact CG1-CB 3.93Å; I216-A236 HydrophobicContact CD1-CB 4.37Å; I216-A236 HydrophobicContact CG1-CB 4.46Å; A231-A236 VanDerWaalsContact O-CB 3.31Å; A231-A236 WeakPolarHBondContact O-CB 3.45Å; A231-A236 PolarHBondContact O-N 2.9Å; A231-A236 VanDerWaalsContact O-N 3.15Å; F232-A236 WeakPolarHBondContact CD1-O 3.4Å; A236-F238 WeakPolarHBondContact CB-O 3.27Å; A236-V239 HydrophobicContact CB-CG2 4.46Å
237	D	98.8	Very high	98.5	Very high	12 Å²	12	5.2 Å²	5.2	6%	0.064	4%	0.04	C	C	.	.	S	Bend	trans	-77.9	-36.2	172.2	-63.1	-73.6	0	0	0	110.9	F35 P48 H210 M215 I216 G235	F35-D237 HydrophobicContact CE1-CB 4.13Å; F35-D237 HydrophobicContact CZ-CB 3.83Å; P48-D237 WeakPolarHBondContact CB-O 3.33Å; H210-D237 IonicContact CD2-OD2 2.78Å; H210-D237 IonicContact CE1-OD2 2.68Å; H210-D237 IonicContact NE2-OD1 2.79Å; H210-D237 PolarHBondContact NE2-OD1 3.17Å; H210-D237 IonicContact NE2-OD2 3.26Å; H210-D237 PolarHBondContact NE2-OD2 3.47Å; M215-D237 VanDerWaalsContact CA-OD2 3.23Å; M215-D237 WeakPolarHBondContact CA-OD2 3.49Å; M215-D237 HydrophobicContact CB-CB 3.98Å; M215-D237 WeakPolarHBondContact CB-OD2 3.34Å; M215-D237 HydrophobicContact CG-CB 4.27Å; M215-D237 HydrophobicContact SD-CB 4.49Å; I216-D237 PolarHBondContact N-OD2 3.23Å; I216-D237 WeakPolarHBondContact O-CB 3.43Å; I216-D237 PolarHBondContact O-N 3.15Å; I216-D237 VanDerWaalsContact O-N 3.14Å; G235-D237 PolarHBondContact O-N 3.28Å
238	F	98.9	Very high	98.5	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.4	175.8	-60.1	-98.2	0	0	0	112	F35 F37 W44 P48 I50 L72 I175 M215 I216 V217 S218 A236	F35-F238 HydrophobicContact CD2-CE1 4.29Å; F35-F238 AromaticContact CD2-CE2 3.98Å; F35-F238 HydrophobicContact CD2-CE2 3.98Å; F35-F238 AromaticContact CD2-CZ 3.51Å; F35-F238 HydrophobicContact CD2-CZ 3.51Å; F35-F238 HydrophobicContact CE2-CE1 4.13Å; F35-F238 AromaticContact CE2-CE2 3.82Å; F35-F238 HydrophobicContact CE2-CE2 3.82Å; F35-F238 AromaticContact CE2-CZ 3.56Å; F35-F238 HydrophobicContact CE2-CZ 3.56Å; F35-F238 HydrophobicContact CG-CZ 4.44Å; F35-F238 HydrophobicContact CZ-CE2 4.36Å; F37-F238 HydrophobicContact CE1-CE2 4.23Å; F37-F238 HydrophobicContact CE1-CZ 4.22Å; F37-F238 HydrophobicContact CZ-CZ 4.16Å; W44-F238 HydrophobicContact CE3-CE1 4.12Å; W44-F238 HydrophobicContact CE3-CZ 4.22Å; W44-F238 HydrophobicContact CH2-CE1 4.02Å; W44-F238 AromaticContact CZ3-CE1 3.61Å; W44-F238 HydrophobicContact CZ3-CE1 3.61Å; W44-F238 HydrophobicContact CZ3-CZ 4.08Å; P48-F238 HydrophobicContact CB-CB 4.49Å; P48-F238 HydrophobicContact CB-CD1 3.43Å; P48-F238 VanDerWaalsContact CB-CD1 3.43Å; P48-F238 HydrophobicContact CB-CE1 3.74Å; P48-F238 HydrophobicContact CB-CG 4.01Å; P48-F238 CarbonylContact O-C 3.54Å; P48-F238 WeakPolarHBondContact O-CA 3.06Å; I50-F238 HydrophobicContact CD1-CB 3.89Å; I50-F238 HydrophobicContact CD1-CD1 3.97Å; I50-F238 HydrophobicContact CD1-CG 4.09Å; I50-F238 HydrophobicContact CG1-CB 4.18Å; I50-F238 HydrophobicContact CG1-CD1 4.12Å; L72-F238 HydrophobicContact CD1-CD1 4.04Å; L72-F238 HydrophobicContact CD1-CE1 3.65Å; I175-F238 HydrophobicContact CD1-CD2 4.32Å; I175-F238 HydrophobicContact CD1-CE2 3.88Å; I175-F238 HydrophobicContact CD1-CZ 4.33Å; I175-F238 HydrophobicContact CG2-CD2 4.35Å; M215-F238 HydrophobicContact SD-CE2 4.18Å; I216-F238 PolarHBondContact O-N 3.42Å; V217-F238 CarbonylContact C-O 3.58Å; V217-F238 VanDerWaalsContact CA-O 3.31Å; V217-F238 WeakPolarHBondContact CA-O 3.31Å; V217-F238 HydrophobicContact CB-CB 3.84Å; V217-F238 HydrophobicContact CG2-CB 3.77Å; S218-F238 PolarHBondContact N-O 3.17Å; A236-F238 WeakPolarHBondContact CB-O 3.27Å
239	V	98.9	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.3	170.9	-177.7	0	0	0	0	110.1	P48 I49 I50 V228 A231 F232 A236 L241	P48-V239 PolarHBondContact O-N 2.57Å; I49-V239 CarbonylContact C-O 3.51Å; I49-V239 WeakPolarHBondContact CA-O 3.28Å; I50-V239 PolarHBondContact N-O 3.33Å; V228-V239 HydrophobicContact CG1-CB 4.09Å; V228-V239 HydrophobicContact CG1-CG1 4.05Å; V228-V239 HydrophobicContact CG1-CG2 4.13Å; A231-V239 HydrophobicContact CB-CG1 4.37Å; A231-V239 HydrophobicContact CB-CG2 3.62Å; F232-V239 HydrophobicContact CD1-CG2 4.06Å; F232-V239 HydrophobicContact CD2-CG2 4.01Å; F232-V239 HydrophobicContact CE1-CG2 3.78Å; F232-V239 HydrophobicContact CE2-CB 4.41Å; F232-V239 HydrophobicContact CE2-CG2 3.76Å; F232-V239 HydrophobicContact CG-CG2 4.15Å; F232-V239 HydrophobicContact CZ-CB 4.16Å; F232-V239 HydrophobicContact CZ-CG2 3.62Å; A236-V239 HydrophobicContact CB-CG2 4.46Å; V239-L241 HydrophobicContact CG1-CD2 3.84Å
240	M	98.9	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.4	178.9	-179.9	175.5	-72.7	0	0	111.5	I50 A52 A74 K177 V217 S218 D219 G220	I50-M240 HydrophobicContact CB-CB 4.22Å; I50-M240 HydrophobicContact CB-CE 4.12Å; I50-M240 HydrophobicContact CB-CG 4.38Å; I50-M240 HydrophobicContact CD1-CE 4.48Å; I50-M240 HydrophobicContact CG2-CE 3.63Å; I50-M240 CarbonylContact O-C 3.59Å; I50-M240 VanDerWaalsContact O-CA 3.25Å; I50-M240 WeakPolarHBondContact O-CA 3.47Å; A52-M240 HydrophobicContact CB-CG 3.75Å; A52-M240 HydrophobicContact CB-SD 3.99Å; A74-M240 HydrophobicContact CB-CE 4.07Å; K177-M240 HydrophobicContact CD-CE 3.87Å; K177-M240 HydrophobicContact CD-SD 3.8Å; V217-M240 HydrophobicContact CG2-CB 3.63Å; S218-M240 PolarHBondContact O-N 3.09Å; D219-M240 HydrophobicContact CB-CB 4.15Å; D219-M240 HydrophobicContact CB-SD 4.41Å; G220-M240 PolarHBondContact N-O 3.11Å
241	L	98.8	Very high	98.4	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.2	-172.4	-57.9	-177.5	0	0	0	111	I49 I50 A52 C222 V228 V239 M244 L245 I308	I49-L241 HydrophobicContact CG2-CD1 3.75Å; I49-L241 HydrophobicContact CG2-CG 4.16Å; I50-L241 PolarHBondContact O-N 3.49Å; A52-L241 WeakPolarHBondContact CB-O 3.48Å; A52-L241 PolarHBondContact N-O 3.04Å; C222-L241 HydrophobicContact CB-CD2 3.71Å; V228-L241 HydrophobicContact CG2-CD1 4.42Å; V228-L241 HydrophobicContact CG2-CD2 4.02Å; V239-L241 HydrophobicContact CG1-CD2 3.84Å; L241-M244 HydrophobicContact CB-CB 4.47Å; L241-M244 HydrophobicContact CD1-CB 4.45Å; L241-M244 HydrophobicContact CD1-SD 4.36Å; L241-M244 HydrophobicContact CD2-SD 3.9Å; L241-L245 HydrophobicContact CB-CD1 3.82Å; L241-L245 HydrophobicContact CB-CG 3.93Å; L241-L245 HydrophobicContact CD1-CG 4.5Å; L241-I308 HydrophobicContact CD1-CD1 3.75Å
242	G	98	Very high	98.2	Very high	11 Å²	11	14.2 Å²	14.2	11%	0.113	9%	0.091	C	C	.	.	S	Bend	trans	-96.9	-84.3	167.8	0	0	0	0	0	110.8	M244 L245 A246	G242-M244 VanDerWaalsContact C-N 3.25Å; G242-M244 PolarHBondContact O-N 3.22Å; G242-M244 VanDerWaalsContact O-N 3.08Å; G242-L245 PolarHBondContact O-N 2.88Å; G242-A246 PolarHBondContact O-N 3.08Å
243	G	97.4	Very high	98	Very high	24 Å²	24	14.6 Å²	14.6	25%	0.247	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-56	-30.8	-172.1	0	0	0	0	0	115.8	L245 A246	G243-L245 PolarHBondContact O-N 3.12Å; G243-A246 PolarHBondContact O-N 2.85Å
244	M	98.2	Very high	97.7	Very high	14 Å²	14	22.4 Å²	22.4	7%	0.069	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24.1	175.7	-69.8	-177.9	72.2	0	0	113.2	C222 T224 P225 V228 L241 G242 R298 T304 I308	C222-M244 HydrophobicContact CB-SD 3.89Å; T224-M244 VanDerWaalsContact C-CE 3.46Å; P225-M244 HydrophobicContact CG-CE 4.46Å; V228-M244 HydrophobicContact CG2-CE 4.32Å; V228-M244 HydrophobicContact CG2-SD 4.09Å; L241-M244 HydrophobicContact CB-CB 4.47Å; L241-M244 HydrophobicContact CD1-CB 4.45Å; L241-M244 HydrophobicContact CD1-SD 4.36Å; L241-M244 HydrophobicContact CD2-SD 3.9Å; G242-M244 VanDerWaalsContact C-N 3.25Å; G242-M244 PolarHBondContact O-N 3.22Å; G242-M244 VanDerWaalsContact O-N 3.08Å; M244-R298 PolarHBondContact O-NH1 3.45Å; M244-T304 WeakPolarHBondContact O-CG2 3.33Å; M244-I308 HydrophobicContact CE-CD1 3.89Å; M244-I308 HydrophobicContact CE-CG1 3.69Å
245	L	98.6	Very high	97.6	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-108.5	5.2	-178.9	-59.4	179.1	0	0	0	113	A51 V57 M62 L66 L241 G242 G243 H248 S251 V301 T304 I308	A51-L245 HydrophobicContact CB-CD1 3.7Å; V57-L245 HydrophobicContact CG1-CB 3.89Å; M62-L245 HydrophobicContact CE-CB 4.44Å; M62-L245 WeakPolarHBondContact CE-O 3.4Å; L66-L245 HydrophobicContact CD1-CD1 4.12Å; L241-L245 HydrophobicContact CB-CD1 3.82Å; L241-L245 HydrophobicContact CB-CG 3.93Å; L241-L245 HydrophobicContact CD1-CG 4.5Å; G242-L245 PolarHBondContact O-N 2.88Å; G243-L245 PolarHBondContact O-N 3.12Å; L245-H248 PolarHBondContact O-CD2 3.23Å; L245-S251 PolarHBondContact O-OG 3.49Å; L245-S251 VanDerWaalsContact O-OG 3.05Å; L245-V301 HydrophobicContact CD2-CG2 3.87Å; L245-T304 HydrophobicContact CD2-CG2 4.27Å; L245-I308 HydrophobicContact CD2-CD1 4.28Å
246	A	98	Very high	97.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.149	C	C	.	.			trans	-87.5	152.7	173.4	0	0	0	0	0	111.2	V57 G242 G243 F266 L295 R298	V57-A246 HydrophobicContact CG2-CB 4.11Å; G242-A246 PolarHBondContact O-N 3.08Å; G243-A246 PolarHBondContact O-N 2.85Å; A246-F266 HydrophobicContact CB-CB 4.27Å; A246-F266 HydrophobicContact CB-CD1 4.13Å; A246-F266 HydrophobicContact CB-CD2 3.51Å; A246-F266 HydrophobicContact CB-CE1 4.36Å; A246-F266 HydrophobicContact CB-CE2 3.8Å; A246-F266 HydrophobicContact CB-CG 3.71Å; A246-F266 HydrophobicContact CB-CZ 4.22Å; A246-L295 HydrophobicContact CB-CD1 3.48Å; A246-L295 VanDerWaalsContact CB-CD1 3.48Å; A246-R298 WeakPolarHBondContact O-CD 3.42Å; A246-R298 PolarHBondContact O-NH1 2.98Å
247	G	97.5	Very high	97.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	18%	0.179	C	C	.	.	S	Bend	trans	87.1	10.4	178	0	0	0	0	0	114.7	S251 R298	G247-S251 PolarHBondContact N-OG 3.3Å; G247-R298 PolarHBondContact O-N 3.37Å
248	H	98.5	Very high	97	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	19%	0.193	C	C	.	.	S	Bend	trans	-93.9	166.8	177.5	-69.4	-69.5	0	0	0	112.2	L245 E250 S251 M264 R298 G299 V301 T304	L245-H248 PolarHBondContact O-CD2 3.23Å; H248-E250 PolarHBondContact O-N 2.78Å; H248-S251 PolarHBondContact N-OG 3.05Å; H248-S251 WeakPolarHBondContact O-CB 3.41Å; H248-S251 PolarHBondContact O-N 3.02Å; H248-S251 PolarHBondContact O-OG 3.31Å; H248-M264 VanDerWaalsContact O-CE 3.29Å; H248-M264 WeakPolarHBondContact O-CE 3.48Å; H248-R298 WeakPolarHBondContact CE1-CB 3.47Å; H248-R298 PolarHBondContact NE2-NH1 3.23Å; H248-G299 VanDerWaalsContact CA-O 3.24Å; H248-G299 WeakPolarHBondContact CA-O 3.33Å; H248-G299 WeakPolarHBondContact CB-O 3.37Å; H248-G299 PolarHBondContact ND1-O 3.16Å; H248-V301 HydrophobicContact CB-CB 3.95Å; H248-V301 HydrophobicContact CB-CG2 4.49Å; H248-T304 PolarHBondContact CE1-OG1 3.4Å; H248-T304 PolarHBondContact NE2-OG1 3.49Å
249	E	98.1	Very high	96.7	Very high	139 Å²	139	45 Å²	45	65%	0.65	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.8	177	-69.8	175.5	-168	0	0	112.4	S251 G299 P300	E249-S251 VanDerWaalsContact C-N 3.35Å; E249-G299 PolarHBondContact N-O 3.33Å; E249-G299 VanDerWaalsContact N-O 3.12Å; E249-P300 WeakPolarHBondContact OE1-CD 3.41Å
250	E	98.5	Very high	96.4	Very high	29 Å²	29	47.8 Å²	47.8	14%	0.136	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.6	179	-57.7	85.1	168.4	0	0	113.4	T59 S61 M62 A65 H248 V301	T59-E250 PolarHBondContact OG1-O 2.89Å; S61-E250 PolarHBondContact OG-O 2.92Å; M62-E250 HydrophobicContact CB-CB 4.38Å; M62-E250 HydrophobicContact CE-CB 4.04Å; M62-E250 HydrophobicContact SD-CB 4.34Å; A65-E250 HydrophobicContact CB-CG 3.9Å; H248-E250 PolarHBondContact O-N 2.78Å; E250-V301 HydrophobicContact CB-CG1 4.49Å; E250-V301 HydrophobicContact CG-CG1 4.14Å; E250-V301 PolarHBondContact OE1-N 3.46Å; E250-V301 WeakPolarHBondContact OE2-CB 3.39Å; E250-V301 PolarHBondContact OE2-N 3.27Å
251	S	98.1	Very high	96.2	Very high	11 Å²	11	53.9 Å²	53.9	8%	0.077	29%	0.291	C	S	.	.	S	Bend	trans	-73.8	145.3	179.4	-63.7	0	0	0	0	112.1	T56 L245 G247 H248 E249 G253 M264	T56-S251 WeakPolarHBondContact O-CA 3.45Å; T56-S251 VanDerWaalsContact O-CB 3.24Å; T56-S251 WeakPolarHBondContact O-CB 3.45Å; L245-S251 PolarHBondContact O-OG 3.49Å; L245-S251 VanDerWaalsContact O-OG 3.05Å; G247-S251 PolarHBondContact N-OG 3.3Å; H248-S251 PolarHBondContact N-OG 3.05Å; H248-S251 WeakPolarHBondContact O-CB 3.41Å; H248-S251 PolarHBondContact O-N 3.02Å; H248-S251 PolarHBondContact O-OG 3.31Å; E249-S251 VanDerWaalsContact C-N 3.35Å; S251-G253 VanDerWaalsContact C-N 3.32Å; S251-G253 PolarHBondContact O-N 3.49Å; S251-M264 WeakPolarHBondContact CB-SD 3.28Å
252	G	94.7	Very high	96	Very high	30 Å²	30	59.8 Å²	59.8	31%	0.309	32%	0.317	S	S	.	.			trans	-84.8	7.1	-176.7	0	0	0	0	0	116	T56	T56-G252 PolarHBondContact O-N 2.67Å; T56-G252 VanDerWaalsContact O-N 3.12Å
253	G	93	Very high	96	Very high	9 Å²	9	60.9 Å²	60.9	9%	0.093	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73.6	141.2	-177.3	0	0	0	0	0	112.8	S251 I255 L265	S251-G253 VanDerWaalsContact C-N 3.32Å; S251-G253 PolarHBondContact O-N 3.49Å; G253-I255 PolarHBondContact O-N 2.99Å; G253-L265 WeakPolarHBondContact CA-O 3.46Å
254	R	93.9	Very high	96	Very high	170 Å²	170	60.1 Å²	60.1	64%	0.642	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-67.3	131	174.7	-174.8	179.1	70.5	175.9	1.7	110.1	L265	R254-L265 HydrophobicContact CB-CD1 4.39Å; R254-L265 PolarHBondContact O-N 3.14Å
255	I	95.7	Very high	95.8	Very high	94 Å²	94	60.8 Å²	60.8	48%	0.482	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.6	170.9	-58.3	176.8	0	0	0	109.1	G253 K262 F263 M264 L297	G253-I255 PolarHBondContact O-N 2.99Å; I255-K262 HydrophobicContact CG2-CB 4.15Å; I255-K262 HydrophobicContact CG2-CD 4.46Å; I255-K262 HydrophobicContact CG2-CG 4.47Å; I255-F263 CarbonylContact C-O 3.46Å; I255-F263 VanDerWaalsContact CA-O 3.27Å; I255-F263 WeakPolarHBondContact CA-O 3.37Å; I255-M264 HydrophobicContact CG1-CE 4.28Å; I255-L297 HydrophobicContact CD1-CD1 4.37Å; I255-L297 HydrophobicContact CD1-CD2 4.3Å; I255-L297 HydrophobicContact CG1-CD2 4.18Å
256	V	95.5	Very high	95.7	Very high	30 Å²	30	60.8 Å²	60.8	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.1	174.7	-62.7	0	0	0	0	109.1	K262 F263 L265	V256-K262 WeakPolarHBondContact O-CA 3.41Å; V256-F263 HydrophobicContact CG2-CB 4.17Å; V256-F263 PolarHBondContact N-O 3.45Å; V256-F263 PolarHBondContact O-N 3Å; V256-L265 HydrophobicContact CG1-CD1 3.98Å; V256-L265 HydrophobicContact CG1-CD2 4.35Å; V256-L265 HydrophobicContact CG1-CG 4.01Å; V256-L265 HydrophobicContact CG2-CD2 3.98Å; V256-L265 HydrophobicContact CG2-CG 4.29Å
257	E	95.2	Very high	95.5	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.3	176.4	-167.8	174.1	143.9	0	0	109.5	E261	E257-E261 WeakPolarHBondContact CA-O 3.43Å
258	E	93.1	Very high	95.1	Very high	80 Å²	80	61.6 Å²	61.6	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.9	176.9	179.7	171.3	-136.4	0	0	108.4	G260 E261 F263 K294	E258-G260 PolarHBondContact O-N 3.28Å; E258-G260 VanDerWaalsContact O-N 3.16Å; E258-E261 PolarHBondContact N-O 3.28Å; E258-E261 PolarHBondContact O-N 2.97Å; E258-F263 HydrophobicContact CB-CD2 4.3Å; E258-F263 HydrophobicContact CB-CE2 4.15Å; E258-K294 IonicContact OE1-NZ 3.41Å; E258-K294 PolarHBondContact OE1-NZ 2.82Å; E258-K294 WeakPolarHBondContact OE2-CD 3.29Å; E258-K294 IonicContact OE2-NZ 3.78Å; E258-K294 PolarHBondContact OE2-NZ 2.95Å
259	N	92.9	Very high	94.6	Very high	160 Å²	160	64.2 Å²	64.2	86%	0.856	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	32.7	-178.7	-54.6	-35.4	0	0	0	114.4	E261	N259-E261 VanDerWaalsContact C-N 3.26Å; N259-E261 PolarHBondContact O-N 2.84Å
260	G	92.9	Very high	93.9	Very high	58 Å²	58	60.1 Å²	60.1	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-2.7	-178.5	0	0	0	0	0	114.8	E258	E258-G260 PolarHBondContact O-N 3.28Å; E258-G260 VanDerWaalsContact O-N 3.16Å
261	E	94.1	Very high	93	Very high	127 Å²	127	58.8 Å²	58.8	59%	0.593	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	139.8	174.2	-66.5	-173.2	160	0	0	110.8	E257 E258 N259 F263	E257-E261 WeakPolarHBondContact CA-O 3.43Å; E258-E261 PolarHBondContact N-O 3.28Å; E258-E261 PolarHBondContact O-N 2.97Å; N259-E261 VanDerWaalsContact C-N 3.26Å; N259-E261 PolarHBondContact O-N 2.84Å; E261-F263 HydrophobicContact CB-CD2 4.45Å; E261-F263 HydrophobicContact CB-CE2 3.54Å; E261-F263 HydrophobicContact CB-CZ 3.73Å; E261-F263 WeakPolarHBondContact O-CD2 3.46Å; E261-F263 WeakPolarHBondContact OE2-CZ 2.94Å
262	K	95.1	Very high	92.1	Very high	126 Å²	126	63 Å²	63	55%	0.548	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.5	178.1	-67.4	-177.9	-179.4	178.6	0	110.4	I255 V256 L297	I255-K262 HydrophobicContact CG2-CB 4.15Å; I255-K262 HydrophobicContact CG2-CD 4.46Å; I255-K262 HydrophobicContact CG2-CG 4.47Å; V256-K262 WeakPolarHBondContact O-CA 3.41Å; K262-L297 HydrophobicContact CB-CD1 3.75Å; K262-L297 HydrophobicContact CB-CG 4.29Å; K262-L297 HydrophobicContact CD-CD1 4.47Å
263	F	96.8	Very high	91.4	Very high	34 Å²	34	63.9 Å²	63.9	15%	0.149	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151	177.8	-58.2	-87	0	0	0	110.7	I255 V256 E258 E261 K294 L295	I255-F263 CarbonylContact C-O 3.46Å; I255-F263 VanDerWaalsContact CA-O 3.27Å; I255-F263 WeakPolarHBondContact CA-O 3.37Å; V256-F263 HydrophobicContact CG2-CB 4.17Å; V256-F263 PolarHBondContact N-O 3.45Å; V256-F263 PolarHBondContact O-N 3Å; E258-F263 HydrophobicContact CB-CD2 4.3Å; E258-F263 HydrophobicContact CB-CE2 4.15Å; E261-F263 HydrophobicContact CB-CD2 4.45Å; E261-F263 HydrophobicContact CB-CE2 3.54Å; E261-F263 HydrophobicContact CB-CZ 3.73Å; E261-F263 WeakPolarHBondContact O-CD2 3.46Å; E261-F263 WeakPolarHBondContact OE2-CZ 2.94Å; F263-K294 HydrophobicContact CB-CB 3.89Å; F263-K294 HydrophobicContact CB-CG 4.42Å; F263-K294 HydrophobicContact CD1-CB 4.22Å; F263-K294 HydrophobicContact CG-CB 4.1Å; F263-L295 CarbonylContact C-O 3.59Å; F263-L295 VanDerWaalsContact CA-O 3.22Å; F263-L295 WeakPolarHBondContact CA-O 3.41Å; F263-L295 WeakPolarHBondContact CB-O 3.42Å
264	M	96.9	Very high	90.8	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.039	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.8	168.4	-175.2	173.3	-71.4	0	0	110.6	H248 S251 I255 L295 L297	H248-M264 VanDerWaalsContact O-CE 3.29Å; H248-M264 WeakPolarHBondContact O-CE 3.48Å; S251-M264 WeakPolarHBondContact CB-SD 3.28Å; I255-M264 HydrophobicContact CG1-CE 4.28Å; M264-L295 PolarHBondContact N-O 2.91Å; M264-L295 PolarHBondContact O-N 3.36Å; M264-L297 HydrophobicContact CB-CD2 3.85Å; M264-L297 HydrophobicContact CE-CD2 4.46Å
265	L	95.8	Very high	90.4	Very high	28 Å²	28	56.1 Å²	56.1	15%	0.147	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.7	171.7	-63	-177.8	0	0	0	110.9	G253 R254 V256 T292 K294	G253-L265 WeakPolarHBondContact CA-O 3.46Å; R254-L265 HydrophobicContact CB-CD1 4.39Å; R254-L265 PolarHBondContact O-N 3.14Å; V256-L265 HydrophobicContact CG1-CD1 3.98Å; V256-L265 HydrophobicContact CG1-CD2 4.35Å; V256-L265 HydrophobicContact CG1-CG 4.01Å; V256-L265 HydrophobicContact CG2-CD2 3.98Å; V256-L265 HydrophobicContact CG2-CG 4.29Å; L265-T292 HydrophobicContact CD2-CG2 4.35Å; L265-K294 HydrophobicContact CD2-CG 3.97Å
266	F	95.5	Very high	89.7	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.5	173.5	175.3	-125.6	0	0	0	109.5	M54 T56 V57 S184 V185 A246 T292 V293 L295	M54-F266 HydrophobicContact CE-CD2 4.31Å; M54-F266 HydrophobicContact CE-CE2 3.36Å; M54-F266 HydrophobicContact CE-CZ 3.68Å; M54-F266 HydrophobicContact SD-CE2 3.76Å; M54-F266 HydrophobicContact SD-CZ 3.92Å; T56-F266 VanDerWaalsContact OG1-CD2 3.23Å; T56-F266 WeakPolarHBondContact OG1-CD2 3.49Å; V57-F266 HydrophobicContact CG2-CE2 3.92Å; S184-F266 WeakPolarHBondContact OG-CE1 3.49Å; V185-F266 HydrophobicContact CB-CE1 4.13Å; V185-F266 HydrophobicContact CG1-CD1 3.4Å; V185-F266 VanDerWaalsContact CG1-CD1 3.4Å; V185-F266 HydrophobicContact CG1-CE1 3.39Å; V185-F266 HydrophobicContact CG1-CG 4.27Å; V185-F266 HydrophobicContact CG1-CZ 4.24Å; V185-F266 HydrophobicContact CG2-CD1 4.33Å; V185-F266 HydrophobicContact CG2-CE1 3.64Å; V185-F266 HydrophobicContact CG2-CE2 4.34Å; V185-F266 HydrophobicContact CG2-CZ 3.64Å; A246-F266 HydrophobicContact CB-CB 4.27Å; A246-F266 HydrophobicContact CB-CD1 4.13Å; A246-F266 HydrophobicContact CB-CD2 3.51Å; A246-F266 HydrophobicContact CB-CE1 4.36Å; A246-F266 HydrophobicContact CB-CE2 3.8Å; A246-F266 HydrophobicContact CB-CG 3.71Å; A246-F266 HydrophobicContact CB-CZ 4.22Å; F266-T292 WeakPolarHBondContact O-CA 3.41Å; F266-V293 HydrophobicContact CB-CG2 3.99Å; F266-V293 HydrophobicContact CD1-CG2 3.84Å; F266-V293 HydrophobicContact CG-CG2 4.38Å; F266-V293 PolarHBondContact N-O 2.96Å; F266-V293 WeakPolarHBondContact O-CG2 3.13Å; F266-V293 PolarHBondContact O-N 2.96Å; F266-L295 HydrophobicContact CB-CD1 3.54Å; F266-L295 HydrophobicContact CB-CG 3.92Å; F266-L295 HydrophobicContact CD1-CD1 3.87Å; F266-L295 HydrophobicContact CG-CD1 3.85Å
267	Y	93.7	Very high	89	Confident	12 Å²	12	63.1 Å²	63.1	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.2	-173.2	52.6	-102.2	0	0	0	112.8	M54 D55 T56 A274 R277 K291 T292	M54-Y267 WeakPolarHBondContact CE-O 3.45Å; D55-Y267 VanDerWaalsContact CG-OH 3.25Å; D55-Y267 WeakPolarHBondContact OD1-CE2 3.23Å; D55-Y267 PolarHBondContact OD1-OH 3.48Å; D55-Y267 WeakPolarHBondContact OD2-CE2 3.24Å; D55-Y267 PolarHBondContact OD2-OH 3.01Å; T56-Y267 HydrophobicContact CG2-CD1 4.21Å; T56-Y267 HydrophobicContact CG2-CE1 3.77Å; T56-Y267 HydrophobicContact CG2-CE2 4.3Å; Y267-A274 HydrophobicContact CD2-CB 3.83Å; Y267-A274 HydrophobicContact CE2-CB 3.82Å; Y267-R277 PolarHBondContact OH-NH1 3.36Å; Y267-R277 VanDerWaalsContact OH-NH1 3.09Å; Y267-K291 VanDerWaalsContact CA-O 3.28Å; Y267-K291 WeakPolarHBondContact CA-O 3.25Å; Y267-T292 WeakPolarHBondContact CB-OG1 3.24Å
268	G	88.9	Confident	88.5	Confident	7 Å²	7	59.6 Å²	59.6	7%	0.072	30%	0.303	C	S	.	.			trans	-69.5	148.3	173.7	0	0	0	0	0	111.9	S270 S271 A274 K291	G268-S270 PolarHBondContact O-N 3.44Å; G268-S271 WeakPolarHBondContact O-CB 3.44Å; G268-S271 PolarHBondContact O-N 3.12Å; G268-S271 PolarHBondContact O-OG 2.89Å; G268-A274 WeakPolarHBondContact O-CB 3.43Å; G268-K291 PolarHBondContact N-O 3.46Å
269	M	89.2	Confident	87.7	Confident	57 Å²	57	60.9 Å²	60.9	28%	0.281	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.4	179.2	-63.9	-52	-62.2	0	0	113.6	M54 D55 H78 A274	M54-M269 HydrophobicContact CB-CG 4.41Å; M54-M269 HydrophobicContact CB-SD 4.14Å; M54-M269 HydrophobicContact CG-CG 4.28Å; D55-M269 HydrophobicContact CB-CE 4.38Å; D55-M269 HydrophobicContact CB-SD 4.44Å; H78-M269 WeakPolarHBondContact NE2-CE 3.26Å; M269-A274 WeakPolarHBondContact O-CB 3.35Å
270	S	81.8	Confident	86.9	Confident	53 Å²	53	56.6 Å²	56.6	37%	0.371	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	20.5	170.9	-56.7	0	0	0	0	113.1	G268 M275 A288 E289 G290	G268-S270 PolarHBondContact O-N 3.44Å; S270-M275 WeakPolarHBondContact O-CE 3.47Å; S270-A288 CarbonylContact O-C 3.52Å; S270-A288 WeakPolarHBondContact O-CA 3.48Å; S270-E289 PolarHBondContact O-N 3.21Å; S270-G290 PolarHBondContact O-N 3.05Å; S270-G290 VanDerWaalsContact O-N 3.16Å
271	S	79.9	Confident	86	Confident	1 Å²	1	55 Å²	55	1%	0.007	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-78.4	159.4	170.7	68.2	0	0	0	0	111.3	G268 S273 A274 M275	G268-S271 WeakPolarHBondContact O-CB 3.44Å; G268-S271 PolarHBondContact O-N 3.12Å; G268-S271 PolarHBondContact O-OG 2.89Å; S271-S273 PolarHBondContact O-N 2.99Å; S271-S273 PolarHBondContact OG-N 3.32Å; S271-A274 PolarHBondContact O-N 3.32Å; S271-A274 PolarHBondContact OG-N 3.49Å; S271-A274 VanDerWaalsContact OG-N 3.09Å; S271-M275 WeakPolarHBondContact O-CB 3.48Å; S271-M275 WeakPolarHBondContact O-CE 3.19Å; S271-M275 WeakPolarHBondContact O-CG 3.25Å; S271-M275 PolarHBondContact O-N 3.4Å
272	E	79.9	Confident	84.9	Confident	99 Å²	99	51.5 Å²	51.5	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-37.3	170.8	-174.6	179.2	175.7	0	0	111.9	M275 K276 V282	E272-M275 PolarHBondContact O-N 3.18Å; E272-K276 HydrophobicContact CG-CD 3.95Å; E272-K276 HydrophobicContact CG-CG 4.32Å; E272-K276 VanDerWaalsContact O-CB 3.27Å; E272-K276 WeakPolarHBondContact O-CB 3.19Å; E272-K276 VanDerWaalsContact O-CG 3.3Å; E272-K276 WeakPolarHBondContact O-CG 3.26Å; E272-K276 PolarHBondContact O-N 3.19Å; E272-K276 WeakPolarHBondContact OE1-CE 3.26Å; E272-K276 IonicContact OE1-NZ 3.57Å; E272-K276 PolarHBondContact OE1-NZ 3.47Å; E272-V282 HydrophobicContact CB-CG2 4.24Å; E272-V282 HydrophobicContact CG-CG2 3.86Å
273	S	79.7	Confident	84	Confident	50 Å²	50	47.3 Å²	47.3	35%	0.35	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-46	176.5	-60.4	0	0	0	0	112.1	S271 R277 T292	S271-S273 PolarHBondContact O-N 2.99Å; S271-S273 PolarHBondContact OG-N 3.32Å; S273-R277 WeakPolarHBondContact O-CB 3.42Å; S273-R277 PolarHBondContact O-N 2.83Å; S273-R277 VanDerWaalsContact O-N 3.15Å; S273-T292 WeakPolarHBondContact CB-OG1 3.5Å; S273-T292 PolarHBondContact OG-OG1 3.29Å
274	A	81.2	Confident	83.1	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-68.8	-45.4	177.7	0	0	0	0	0	112.2	Y267 G268 M269 S271 K276 R277 H278	Y267-A274 HydrophobicContact CD2-CB 3.83Å; Y267-A274 HydrophobicContact CE2-CB 3.82Å; G268-A274 WeakPolarHBondContact O-CB 3.43Å; M269-A274 WeakPolarHBondContact O-CB 3.35Å; S271-A274 PolarHBondContact O-N 3.32Å; S271-A274 PolarHBondContact OG-N 3.49Å; S271-A274 VanDerWaalsContact OG-N 3.09Å; A274-K276 PolarHBondContact O-N 3.19Å; A274-R277 PolarHBondContact O-N 3.35Å; A274-H278 PolarHBondContact O-CD2 3.23Å; A274-H278 PolarHBondContact O-N 3.49Å
275	M	84.1	Confident	82.3	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.069	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-41.5	-180	-73.3	-171.8	-79.6	0	0	112.1	S270 S271 E272 R277 V279 G280 G281 V282 A288	S270-M275 WeakPolarHBondContact O-CE 3.47Å; S271-M275 WeakPolarHBondContact O-CB 3.48Å; S271-M275 WeakPolarHBondContact O-CE 3.19Å; S271-M275 WeakPolarHBondContact O-CG 3.25Å; S271-M275 PolarHBondContact O-N 3.4Å; E272-M275 PolarHBondContact O-N 3.18Å; M275-R277 VanDerWaalsContact C-N 3.35Å; M275-R277 PolarHBondContact O-N 3.49Å; M275-V279 CarbonylContact O-C 3.53Å; M275-V279 WeakPolarHBondContact O-CA 3.3Å; M275-V279 WeakPolarHBondContact O-CB 3.19Å; M275-V279 PolarHBondContact O-N 3.03Å; M275-G280 PolarHBondContact O-N 2.93Å; M275-G281 PolarHBondContact O-N 3.27Å; M275-V282 HydrophobicContact CB-CG2 4.23Å; M275-V282 HydrophobicContact CE-CB 4.24Å; M275-V282 HydrophobicContact CE-CG1 3.82Å; M275-V282 HydrophobicContact CE-CG2 3.56Å; M275-V282 HydrophobicContact SD-CB 4.42Å; M275-V282 HydrophobicContact SD-CG1 4.06Å; M275-V282 HydrophobicContact SD-CG2 4.13Å; M275-A288 HydrophobicContact CE-CB 3.7Å
276	K	81.6	Confident	81.5	Confident	120 Å²	120	68.6 Å²	68.6	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-42	173	-78.2	177.7	170.2	172	0	112.1	E272 A274 G280	E272-K276 HydrophobicContact CG-CD 3.95Å; E272-K276 HydrophobicContact CG-CG 4.32Å; E272-K276 VanDerWaalsContact O-CB 3.27Å; E272-K276 WeakPolarHBondContact O-CB 3.19Å; E272-K276 VanDerWaalsContact O-CG 3.3Å; E272-K276 WeakPolarHBondContact O-CG 3.26Å; E272-K276 PolarHBondContact O-N 3.19Å; E272-K276 WeakPolarHBondContact OE1-CE 3.26Å; E272-K276 IonicContact OE1-NZ 3.57Å; E272-K276 PolarHBondContact OE1-NZ 3.47Å; A274-K276 PolarHBondContact O-N 3.19Å; K276-G280 PolarHBondContact O-N 3.38Å
277	R	81.7	Confident	80.9	Confident	151 Å²	151	71.4 Å²	71.4	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-68.2	-42.4	-178.2	-174.8	175.1	-178.2	165.2	1	113	D55 Y267 S273 A274 M275	D55-R277 IonicContact OD2-NH1 3.34Å; Y267-R277 PolarHBondContact OH-NH1 3.36Å; Y267-R277 VanDerWaalsContact OH-NH1 3.09Å; S273-R277 WeakPolarHBondContact O-CB 3.42Å; S273-R277 PolarHBondContact O-N 2.83Å; S273-R277 VanDerWaalsContact O-N 3.15Å; A274-R277 PolarHBondContact O-N 3.35Å; M275-R277 VanDerWaalsContact C-N 3.35Å; M275-R277 PolarHBondContact O-N 3.49Å
278	H	83.2	Confident	80.6	Confident	61 Å²	61	72 Å²	72	28%	0.282	39%	0.388	S	S	.	.	H	α-helix	trans	-109.8	-21.1	-166.6	-60.9	-58.8	0	0	0	114.8	D55 H78 A274	D55-H278 IonicContact OD2-CD2 3.98Å; D55-H278 IonicContact OD2-CE1 2.8Å; D55-H278 IonicContact OD2-NE2 3.61Å; D55-H278 PolarHBondContact OD2-NE2 3.25Å; H78-H278 AromaticContact CD2-CE1 3.72Å; H78-H278 AromaticContact CD2-NE2 3.75Å; H78-H278 AromaticContact CE1-CD2 3.65Å; H78-H278 AromaticContact CE1-CE1 3.97Å; H78-H278 AromaticContact CE1-CG 3.34Å; H78-H278 AromaticContact CE1-ND1 3.6Å; H78-H278 AromaticContact CG-CE1 3.53Å; H78-H278 AromaticContact CG-ND1 3.61Å; H78-H278 AromaticContact ND1-CE1 3.7Å; H78-H278 AromaticContact ND1-CG 3.55Å; H78-H278 AromaticContact ND1-ND1 3.29Å; H78-H278 PolarHBondContact ND1-ND1 3.45Å; H78-H278 AromaticContact NE2-CD2 3.65Å; H78-H278 AromaticContact NE2-CG 3.83Å; H78-H278 AromaticContact NE2-NE2 3.78Å; A274-H278 PolarHBondContact O-CD2 3.23Å; A274-H278 PolarHBondContact O-N 3.49Å
279	V	77.6	Confident	80.5	Confident	107 Å²	107	74.3 Å²	74.3	65%	0.648	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-10.2	-176.3	-168.8	0	0	0	0	111.8	M275	M275-V279 CarbonylContact O-C 3.53Å; M275-V279 WeakPolarHBondContact O-CA 3.3Å; M275-V279 WeakPolarHBondContact O-CB 3.19Å; M275-V279 PolarHBondContact O-N 3.03Å
280	G	74.9	Confident	80.4	Confident	71 Å²	71	72.1 Å²	72.1	73%	0.732	39%	0.389	S	S	*	.	S	Bend	trans	88.4	0.5	179	0	0	0	0	0	114.9	M275 K276	M275-G280 PolarHBondContact O-N 2.93Å; K276-G280 PolarHBondContact O-N 3.38Å
281	G	74	Confident	80.8	Confident	24 Å²	24	74.3 Å²	74.3	25%	0.247	39%	0.392	C	S	.	.	S	Bend	trans	158.9	-179.7	178.5	0	0	0	0	0	113.2	M275	M275-G281 PolarHBondContact O-N 3.27Å
282	V	71.8	Confident	81.5	Confident	54 Å²	54	77 Å²	77	33%	0.327	41%	0.408	S	S	.	.			trans	-95.9	118.6	172	-172.1	0	0	0	0	107.5	E272 M275 R286	E272-V282 HydrophobicContact CB-CG2 4.24Å; E272-V282 HydrophobicContact CG-CG2 3.86Å; M275-V282 HydrophobicContact CB-CG2 4.23Å; M275-V282 HydrophobicContact CE-CB 4.24Å; M275-V282 HydrophobicContact CE-CG1 3.82Å; M275-V282 HydrophobicContact CE-CG2 3.56Å; M275-V282 HydrophobicContact SD-CB 4.42Å; M275-V282 HydrophobicContact SD-CG1 4.06Å; M275-V282 HydrophobicContact SD-CG2 4.13Å; V282-R286 HydrophobicContact CG1-CB 4.23Å; V282-R286 VanDerWaalsContact CG1-O 3.25Å; V282-R286 WeakPolarHBondContact CG1-O 3.25Å
283	A	74.9	Confident	82.2	Confident	38 Å²	38	74.3 Å²	74.3	31%	0.314	40%	0.399	S	S	.	.			trans	-61.5	143.6	174.8	0	0	0	0	0	110.2	Y285 R286	A283-Y285 HydrophobicContact CB-CD1 3.83Å; A283-Y285 HydrophobicContact CB-CE1 3.49Å; A283-Y285 VanDerWaalsContact CB-CE1 3.49Å; A283-Y285 PolarHBondContact O-N 3.3Å; A283-R286 HydrophobicContact CB-CG 4.19Å; A283-R286 PolarHBondContact O-N 3.33Å
284	E	79.4	Confident	82.9	Confident	206 Å²	206	76.6 Å²	76.6	96%	0.963	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.4	-172.1	-64.8	-175	163.3	0	0	114	R286	E284-R286 VanDerWaalsContact C-N 3.35Å
285	Y	79.4	Confident	83.6	Confident	180 Å²	180	78.3 Å²	78.3	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.4	178.8	70.5	-90.9	0	0	0	114.1	A283	A283-Y285 HydrophobicContact CB-CD1 3.83Å; A283-Y285 HydrophobicContact CB-CE1 3.49Å; A283-Y285 VanDerWaalsContact CB-CE1 3.49Å; A283-Y285 PolarHBondContact O-N 3.3Å
286	R	79.9	Confident	84.1	Confident	130 Å²	130	81.4 Å²	81.4	49%	0.491	43%	0.432	S	S	.	.			trans	-105.1	132.6	-176.1	-66	-172.2	-178.6	-173.1	-1.8	111.3	V282 A283 E284	V282-R286 HydrophobicContact CG1-CB 4.23Å; V282-R286 VanDerWaalsContact CG1-O 3.25Å; V282-R286 WeakPolarHBondContact CG1-O 3.25Å; A283-R286 HydrophobicContact CB-CG 4.19Å; A283-R286 PolarHBondContact O-N 3.33Å; E284-R286 VanDerWaalsContact C-N 3.35Å
287	A	82.2	Confident	84.8	Confident	64 Å²	64	79.3 Å²	79.3	53%	0.529	43%	0.426	S	S	.	.			trans	-90.2	144.5	163.4	0	0	0	0	0	110.1	E289	A287-E289 PolarHBondContact O-N 3.45Å
288	A	87	Confident	85.6	Confident	25 Å²	25	77 Å²	77	21%	0.207	42%	0.418	C	S	.	.			trans	-71.4	119.1	171.5	0	0	0	0	0	110.6	T187 K191 S270 M275	T187-A288 PolarHBondContact OG1-O 2.96Å; K191-A288 WeakPolarHBondContact CE-O 3.4Å; S270-A288 CarbonylContact O-C 3.52Å; S270-A288 WeakPolarHBondContact O-CA 3.48Å; M275-A288 HydrophobicContact CE-CB 3.7Å
289	E	86.6	Confident	86.3	Confident	55 Å²	55	75.2 Å²	75.2	26%	0.257	42%	0.416	S	S	.	.			trans	-100.7	17	178	-68.1	-173.5	-138.1	0	0	112.7	T187 T188 K191 S270 A287	T187-E289 PolarHBondContact N-O 2.9Å; T187-E289 WeakPolarHBondContact OG1-CA 3.39Å; T187-E289 PolarHBondContact OG1-O 3.21Å; T188-E289 VanDerWaalsContact CB-OE2 3.3Å; T188-E289 WeakPolarHBondContact CB-OE2 3.46Å; T188-E289 VanDerWaalsContact CG2-OE2 3.26Å; T188-E289 WeakPolarHBondContact CG2-OE2 3.27Å; T188-E289 PolarHBondContact OG1-OE2 3.19Å; K191-E289 HydrophobicContact CB-CG 4.44Å; S270-E289 PolarHBondContact O-N 3.21Å; A287-E289 PolarHBondContact O-N 3.45Å
290	G	88.4	Confident	87.2	Confident	11 Å²	11	72.1 Å²	72.1	11%	0.113	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-132.9	157.5	169.5	0	0	0	0	0	112.3	V185 T187 S270	V185-G290 CarbonylContact O-C 3.55Å; V185-G290 VanDerWaalsContact O-CA 3.24Å; V185-G290 WeakPolarHBondContact O-CA 3.32Å; T187-G290 PolarHBondContact OG1-N 2.86Å; S270-G290 PolarHBondContact O-N 3.05Å; S270-G290 VanDerWaalsContact O-N 3.16Å
291	K	90.5	Very high	88.4	Confident	99 Å²	99	68.8 Å²	68.8	43%	0.43	36%	0.363	S	S	.	.			trans	-113.5	165.5	169.6	63.1	178.2	178.6	-178.1	0	110.8	S184 V185 T187 Y267 G268 V293	S184-K291 WeakPolarHBondContact O-CE 3.46Å; S184-K291 PolarHBondContact O-NZ 2.96Å; V185-K291 HydrophobicContact CB-CG 4.18Å; V185-K291 HydrophobicContact CG1-CG 4.39Å; V185-K291 PolarHBondContact O-N 3.23Å; T187-K291 HydrophobicContact CG2-CB 4.03Å; T187-K291 HydrophobicContact CG2-CD 4.46Å; T187-K291 HydrophobicContact CG2-CG 4.23Å; Y267-K291 VanDerWaalsContact CA-O 3.28Å; Y267-K291 WeakPolarHBondContact CA-O 3.25Å; G268-K291 PolarHBondContact N-O 3.46Å; K291-V293 HydrophobicContact CD-CG1 4.22Å; K291-V293 HydrophobicContact CG-CG1 4.37Å
292	T	93.1	Very high	89.5	Confident	57 Å²	57	71.1 Å²	71.1	35%	0.35	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.5	171.7	-58.1	0	0	0	0	108.8	L265 F266 Y267 S273	L265-T292 HydrophobicContact CD2-CG2 4.35Å; F266-T292 WeakPolarHBondContact O-CA 3.41Å; Y267-T292 WeakPolarHBondContact CB-OG1 3.24Å; S273-T292 WeakPolarHBondContact CB-OG1 3.5Å; S273-T292 PolarHBondContact OG-OG1 3.29Å
293	V	94.7	Very high	90.8	Very high	42 Å²	42	72.9 Å²	72.9	26%	0.255	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.2	177.4	-59.5	0	0	0	0	110	V185 F266 K291 L295	V185-V293 HydrophobicContact CG1-CG1 4.29Å; V185-V293 HydrophobicContact CG1-CG2 3.8Å; F266-V293 HydrophobicContact CB-CG2 3.99Å; F266-V293 HydrophobicContact CD1-CG2 3.84Å; F266-V293 HydrophobicContact CG-CG2 4.38Å; F266-V293 PolarHBondContact N-O 2.96Å; F266-V293 WeakPolarHBondContact O-CG2 3.13Å; F266-V293 PolarHBondContact O-N 2.96Å; K291-V293 HydrophobicContact CD-CG1 4.22Å; K291-V293 HydrophobicContact CG-CG1 4.37Å; V293-L295 HydrophobicContact CG2-CD2 4.03Å; V293-L295 HydrophobicContact CG2-CG 4.26Å
294	K	95.3	Very high	91.9	Very high	98 Å²	98	71.8 Å²	71.8	43%	0.426	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.2	171.7	-67.9	174	-176.2	174.2	0	107.6	E258 F263 L265	E258-K294 IonicContact OE1-NZ 3.41Å; E258-K294 PolarHBondContact OE1-NZ 2.82Å; E258-K294 WeakPolarHBondContact OE2-CD 3.29Å; E258-K294 IonicContact OE2-NZ 3.78Å; E258-K294 PolarHBondContact OE2-NZ 2.95Å; F263-K294 HydrophobicContact CB-CB 3.89Å; F263-K294 HydrophobicContact CB-CG 4.42Å; F263-K294 HydrophobicContact CD1-CB 4.22Å; F263-K294 HydrophobicContact CG-CB 4.1Å; L265-K294 HydrophobicContact CD2-CG 3.97Å
295	L	95.6	Very high	92.8	Very high	37 Å²	37	62.1 Å²	62.1	19%	0.194	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.5	175.5	-61.2	179.7	0	0	0	109.2	A246 F263 M264 F266 V293	A246-L295 HydrophobicContact CB-CD1 3.48Å; A246-L295 VanDerWaalsContact CB-CD1 3.48Å; F263-L295 CarbonylContact C-O 3.59Å; F263-L295 VanDerWaalsContact CA-O 3.22Å; F263-L295 WeakPolarHBondContact CA-O 3.41Å; F263-L295 WeakPolarHBondContact CB-O 3.42Å; M264-L295 PolarHBondContact N-O 2.91Å; M264-L295 PolarHBondContact O-N 3.36Å; F266-L295 HydrophobicContact CB-CD1 3.54Å; F266-L295 HydrophobicContact CB-CG 3.92Å; F266-L295 HydrophobicContact CD1-CD1 3.87Å; F266-L295 HydrophobicContact CG-CD1 3.85Å; V293-L295 HydrophobicContact CG2-CD2 4.03Å; V293-L295 HydrophobicContact CG2-CG 4.26Å
296	P	95.1	Very high	93.8	Very high	80 Å²	80	59.3 Å²	59.3	52%	0.519	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	150.4	167.9	27.2	-34	0	0	0	109.4	R298	P296-R298 WeakPolarHBondContact O-CG 3.47Å
297	L	96.6	Very high	94.7	Very high	75 Å²	75	57.7 Å²	57.7	39%	0.393	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-68.5	134.4	174.1	-57.7	-176.6	0	0	0	109.8	I255 K262 M264	I255-L297 HydrophobicContact CD1-CD1 4.37Å; I255-L297 HydrophobicContact CD1-CD2 4.3Å; I255-L297 HydrophobicContact CG1-CD2 4.18Å; K262-L297 HydrophobicContact CB-CD1 3.75Å; K262-L297 HydrophobicContact CB-CG 4.29Å; K262-L297 HydrophobicContact CD-CD1 4.47Å; M264-L297 HydrophobicContact CB-CD2 3.85Å; M264-L297 HydrophobicContact CE-CD2 4.46Å
298	R	96.9	Very high	95.4	Very high	102 Å²	102	54.8 Å²	54.8	39%	0.385	29%	0.285	S	S	.	.			trans	-114	8.7	-170.4	-56.3	176.6	71.5	-156.1	-5.2	113.5	M244 A246 G247 H248 P296	M244-R298 PolarHBondContact O-NH1 3.45Å; A246-R298 WeakPolarHBondContact O-CD 3.42Å; A246-R298 PolarHBondContact O-NH1 2.98Å; G247-R298 PolarHBondContact O-N 3.37Å; H248-R298 WeakPolarHBondContact CE1-CB 3.47Å; H248-R298 PolarHBondContact NE2-NH1 3.23Å; P296-R298 WeakPolarHBondContact O-CG 3.47Å
299	G	97.5	Very high	96	Very high	24 Å²	24	53.9 Å²	53.9	25%	0.247	28%	0.277	C	S	.	.			trans	65.5	-157	-176.1	0	0	0	0	0	112.9	H248 E249	H248-G299 VanDerWaalsContact CA-O 3.24Å; H248-G299 WeakPolarHBondContact CA-O 3.33Å; H248-G299 WeakPolarHBondContact CB-O 3.37Å; H248-G299 PolarHBondContact ND1-O 3.16Å; E249-G299 PolarHBondContact N-O 3.33Å; E249-G299 VanDerWaalsContact N-O 3.12Å
300	P	98.3	Very high	96.6	Very high	43 Å²	43	52.7 Å²	52.7	28%	0.279	28%	0.28	S	S	.	.			trans	-61.9	139.1	-178.5	-22.7	32.9	0	0	0	112.7	E249 E302 N303	E249-P300 WeakPolarHBondContact OE1-CD 3.41Å; P300-E302 HydrophobicContact CB-CB 4.48Å; P300-E302 PolarHBondContact O-N 3.03Å; P300-N303 PolarHBondContact O-N 2.67Å
301	V	98.7	Very high	97.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-25.7	179.2	72.8	0	0	0	0	112.7	M62 A65 L66 L245 H248 E250 N303 T304 A305	M62-V301 HydrophobicContact CE-CB 4.39Å; M62-V301 HydrophobicContact CE-CG2 4.17Å; M62-V301 HydrophobicContact SD-CB 4.01Å; M62-V301 HydrophobicContact SD-CG1 3.88Å; M62-V301 HydrophobicContact SD-CG2 3.66Å; A65-V301 HydrophobicContact CB-CG1 3.71Å; L66-V301 HydrophobicContact CD2-CG1 4.23Å; L66-V301 HydrophobicContact CD2-CG2 4.22Å; L245-V301 HydrophobicContact CD2-CG2 3.87Å; H248-V301 HydrophobicContact CB-CB 3.95Å; H248-V301 HydrophobicContact CB-CG2 4.49Å; E250-V301 HydrophobicContact CB-CG1 4.49Å; E250-V301 HydrophobicContact CG-CG1 4.14Å; E250-V301 PolarHBondContact OE1-N 3.46Å; E250-V301 WeakPolarHBondContact OE2-CB 3.39Å; E250-V301 PolarHBondContact OE2-N 3.27Å; V301-N303 PolarHBondContact O-N 3.06Å; V301-N303 VanDerWaalsContact O-N 3.1Å; V301-T304 WeakPolarHBondContact O-CA 3.33Å; V301-T304 PolarHBondContact O-N 3.05Å; V301-A305 PolarHBondContact O-N 2.85Å
302	E	98.5	Very high	97.4	Very high	73 Å²	73	48.6 Å²	48.6	34%	0.341	27%	0.265	S	S	.	.	H	α-helix	trans	-49	-39.9	179.1	-160.1	-168.7	-165.5	0	0	112.7	F69 P300 A305 R306	F69-E302 HydrophobicContact CE2-CB 4.38Å; F69-E302 HydrophobicContact CE2-CG 3.55Å; F69-E302 HydrophobicContact CZ-CB 4.48Å; F69-E302 HydrophobicContact CZ-CG 3.4Å; P300-E302 HydrophobicContact CB-CB 4.48Å; P300-E302 PolarHBondContact O-N 3.03Å; E302-A305 PolarHBondContact O-N 3.04Å; E302-R306 WeakPolarHBondContact O-CG 3.48Å; E302-R306 PolarHBondContact O-N 2.83Å; E302-R306 IonicContact OE1-CZ 2.96Å; E302-R306 VanDerWaalsContact OE1-CZ 3.25Å; E302-R306 IonicContact OE1-NH1 2.91Å; E302-R306 PolarHBondContact OE1-NH1 3.16Å; E302-R306 IonicContact OE1-NH2 3.97Å; E302-R306 PolarHBondContact OE1-NH2 2.99Å; E302-R306 IonicContact OE2-CZ 3.52Å; E302-R306 IonicContact OE2-NH1 3.58Å; E302-R306 PolarHBondContact OE2-NH1 3.27Å; E302-R306 IonicContact OE2-NH2 3.15Å
303	N	98.4	Very high	97.7	Very high	91 Å²	91	49.7 Å²	49.7	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-39.1	178.5	-67.8	-37.5	0	0	0	112.3	P300 V301 D307	P300-N303 PolarHBondContact O-N 2.67Å; V301-N303 PolarHBondContact O-N 3.06Å; V301-N303 VanDerWaalsContact O-N 3.1Å; N303-D307 PolarHBondContact O-N 3.32Å; N303-D307 VanDerWaalsContact O-N 3.09Å
304	T	98.6	Very high	97.9	Very high	16 Å²	16	49 Å²	49	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-73.3	-37.5	177	-68.4	0	0	0	0	111.5	M244 L245 H248 V301 R306 D307 I308	M244-T304 WeakPolarHBondContact O-CG2 3.33Å; L245-T304 HydrophobicContact CD2-CG2 4.27Å; H248-T304 PolarHBondContact CE1-OG1 3.4Å; H248-T304 PolarHBondContact NE2-OG1 3.49Å; V301-T304 WeakPolarHBondContact O-CA 3.33Å; V301-T304 PolarHBondContact O-N 3.05Å; T304-R306 PolarHBondContact O-N 3.45Å; T304-D307 PolarHBondContact O-N 2.77Å; T304-I308 HydrophobicContact CG2-CD1 3.84Å; T304-I308 HydrophobicContact CG2-CG1 4.44Å; T304-I308 WeakPolarHBondContact O-CD1 3.43Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.32Å; T304-I308 PolarHBondContact O-N 2.88Å
305	A	98.6	Very high	98	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-49.4	171.3	0	0	0	0	0	110.7	L66 F69 V301 E302 D307 I308 L309	L66-A305 HydrophobicContact CD2-CB 4.13Å; F69-A305 HydrophobicContact CD1-CB 4.46Å; F69-A305 HydrophobicContact CD2-CB 3.96Å; F69-A305 HydrophobicContact CE1-CB 4.44Å; F69-A305 HydrophobicContact CE2-CB 3.96Å; F69-A305 HydrophobicContact CG-CB 4.23Å; F69-A305 HydrophobicContact CZ-CB 4.21Å; V301-A305 PolarHBondContact O-N 2.85Å; E302-A305 PolarHBondContact O-N 3.04Å; A305-D307 VanDerWaalsContact C-N 3.33Å; A305-D307 PolarHBondContact O-N 3.44Å; A305-I308 PolarHBondContact O-N 3.44Å; A305-L309 WeakPolarHBondContact O-CG 3.21Å; A305-L309 PolarHBondContact O-N 3.5Å
306	R	98.6	Very high	98.2	Very high	121 Å²	121	43.5 Å²	43.5	46%	0.457	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-41.8	176.2	-74.5	-177.4	-179.4	107.7	5.5	113.3	F69 E302 T304 G310	F69-R306 HydrophobicContact CE1-CG 3.91Å; F69-R306 HydrophobicContact CZ-CG 4.12Å; E302-R306 WeakPolarHBondContact O-CG 3.48Å; E302-R306 PolarHBondContact O-N 2.83Å; E302-R306 IonicContact OE1-CZ 2.96Å; E302-R306 VanDerWaalsContact OE1-CZ 3.25Å; E302-R306 IonicContact OE1-NH1 2.91Å; E302-R306 PolarHBondContact OE1-NH1 3.16Å; E302-R306 IonicContact OE1-NH2 3.97Å; E302-R306 PolarHBondContact OE1-NH2 2.99Å; E302-R306 IonicContact OE2-CZ 3.52Å; E302-R306 IonicContact OE2-NH1 3.58Å; E302-R306 PolarHBondContact OE2-NH1 3.27Å; E302-R306 IonicContact OE2-NH2 3.15Å; T304-R306 PolarHBondContact O-N 3.45Å; R306-G310 PolarHBondContact O-N 2.9Å
307	D	98.6	Very high	98.3	Very high	96 Å²	96	41 Å²	41	51%	0.513	22%	0.221	S	C	.	.	H	α-helix	trans	-62.6	-48.3	177.4	-178.3	58.6	0	0	0	111.8	P225 N303 T304 A305 L309 G310 G311	P225-D307 VanDerWaalsContact CG-OD2 3.27Å; P225-D307 WeakPolarHBondContact CG-OD2 3.38Å; N303-D307 PolarHBondContact O-N 3.32Å; N303-D307 VanDerWaalsContact O-N 3.09Å; T304-D307 PolarHBondContact O-N 2.77Å; A305-D307 VanDerWaalsContact C-N 3.33Å; A305-D307 PolarHBondContact O-N 3.44Å; D307-L309 PolarHBondContact O-N 3.29Å; D307-G310 PolarHBondContact O-N 3.1Å; D307-G311 PolarHBondContact O-N 2.96Å
308	I	98.7	Very high	98.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-49.1	177.5	-65.4	162.3	0	0	0	110.9	I49 P225 V228 L241 M244 L245 T304 A305 G310 G311 L312	I49-I308 HydrophobicContact CD1-CG2 3.69Å; P225-I308 HydrophobicContact CG-CG1 4.35Å; V228-I308 HydrophobicContact CG1-CG2 4.4Å; V228-I308 HydrophobicContact CG2-CG2 4.33Å; L241-I308 HydrophobicContact CD1-CD1 3.75Å; M244-I308 HydrophobicContact CE-CD1 3.89Å; M244-I308 HydrophobicContact CE-CG1 3.69Å; L245-I308 HydrophobicContact CD2-CD1 4.28Å; T304-I308 HydrophobicContact CG2-CD1 3.84Å; T304-I308 HydrophobicContact CG2-CG1 4.44Å; T304-I308 WeakPolarHBondContact O-CD1 3.43Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.32Å; T304-I308 PolarHBondContact O-N 2.88Å; A305-I308 PolarHBondContact O-N 3.44Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 3.44Å; I308-G311 PolarHBondContact O-N 3.28Å; I308-L312 HydrophobicContact CG2-CD1 4.3Å; I308-L312 WeakPolarHBondContact O-CG 3.34Å; I308-L312 PolarHBondContact O-N 2.86Å
309	L	98.7	Very high	98.5	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-36.7	179.6	-59.8	178.7	0	0	0	111.7	L31 V47 I49 F69 I71 A305 D307 L312 R313	L31-L309 HydrophobicContact CD1-CB 3.78Å; L31-L309 HydrophobicContact CD1-CD2 3.61Å; L31-L309 HydrophobicContact CD1-CG 4.22Å; V47-L309 HydrophobicContact CG1-CD2 3.64Å; I49-L309 HydrophobicContact CD1-CD2 3.92Å; F69-L309 HydrophobicContact CB-CD1 4.23Å; F69-L309 HydrophobicContact CD1-CD1 3.55Å; F69-L309 HydrophobicContact CE1-CD1 4.34Å; F69-L309 HydrophobicContact CG-CD1 4.21Å; I71-L309 HydrophobicContact CD1-CD2 4.42Å; A305-L309 WeakPolarHBondContact O-CG 3.21Å; A305-L309 PolarHBondContact O-N 3.5Å; D307-L309 PolarHBondContact O-N 3.29Å; L309-L312 PolarHBondContact O-N 3.47Å; L309-R313 WeakPolarHBondContact O-CG 3.47Å; L309-R313 PolarHBondContact O-N 3.24Å
310	G	98.6	Very high	98.5	Very high	31 Å²	31	38.8 Å²	38.8	32%	0.32	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-44.7	173.4	0	0	0	0	0	112.2	R306 D307 I308 R313 S314	R306-G310 PolarHBondContact O-N 2.9Å; D307-G310 PolarHBondContact O-N 3.1Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 3.44Å; G310-R313 PolarHBondContact O-N 2.82Å; G310-S314 WeakPolarHBondContact O-CB 3.5Å; G310-S314 PolarHBondContact O-N 2.96Å
311	G	98.5	Very high	98.5	Very high	24 Å²	24	36.8 Å²	36.8	25%	0.247	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-44.9	174.5	0	0	0	0	0	112.8	D307 I308 S314 A315	D307-G311 PolarHBondContact O-N 2.96Å; I308-G311 PolarHBondContact O-N 3.28Å; G311-S314 WeakPolarHBondContact O-CB 3.42Å; G311-S314 PolarHBondContact O-N 2.91Å; G311-A315 PolarHBondContact O-N 3.28Å
312	L	98.5	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-45.7	176.3	-74.3	174	0	0	0	112.8	L31 I49 V228 A229 F232 I308 L309 S314 A315 C316	L31-L312 HydrophobicContact CD1-CB 4.29Å; L31-L312 HydrophobicContact CD2-CB 3.98Å; I49-L312 HydrophobicContact CD1-CD1 3.94Å; V228-L312 HydrophobicContact CB-CD2 4.36Å; V228-L312 HydrophobicContact CG1-CD1 4.1Å; V228-L312 HydrophobicContact CG1-CD2 4.03Å; V228-L312 HydrophobicContact CG1-CG 4.38Å; A229-L312 HydrophobicContact CB-CD2 3.94Å; F232-L312 HydrophobicContact CD2-CD1 4.4Å; F232-L312 HydrophobicContact CD2-CD2 3.7Å; F232-L312 HydrophobicContact CE2-CD1 3.88Å; F232-L312 HydrophobicContact CE2-CD2 4.02Å; I308-L312 HydrophobicContact CG2-CD1 4.3Å; I308-L312 WeakPolarHBondContact O-CG 3.34Å; I308-L312 PolarHBondContact O-N 2.86Å; L309-L312 PolarHBondContact O-N 3.47Å; L312-S314 VanDerWaalsContact C-N 3.29Å; L312-S314 PolarHBondContact O-N 3.35Å; L312-A315 PolarHBondContact O-N 3.1Å; L312-C316 WeakPolarHBondContact O-CB 3.29Å; L312-C316 PolarHBondContact O-N 2.67Å; L312-C316 PolarHBondContact O-SG 2.97Å
313	R	98.7	Very high	98.4	Very high	79 Å²	79	40.9 Å²	40.9	30%	0.298	21%	0.209	S	C	.	.	H	α-helix	trans	-60.3	-41.9	175.1	-68.6	-175.4	-168.3	97.5	-5.4	111	R26 V29 L31 L309 G310 C316 T317	R26-R313 HydrophobicContact CB-CB 4.11Å; R26-R313 VanDerWaalsContact O-CD 3.26Å; R26-R313 WeakPolarHBondContact O-CD 3.27Å; V29-R313 HydrophobicContact CB-CB 4.17Å; V29-R313 HydrophobicContact CB-CG 3.99Å; V29-R313 HydrophobicContact CG1-CB 4.48Å; V29-R313 HydrophobicContact CG1-CG 4.19Å; L31-R313 HydrophobicContact CD1-CG 3.89Å; L31-R313 HydrophobicContact CD2-CG 4Å; L31-R313 HydrophobicContact CG-CG 3.91Å; L309-R313 WeakPolarHBondContact O-CG 3.47Å; L309-R313 PolarHBondContact O-N 3.24Å; G310-R313 PolarHBondContact O-N 2.82Å; R313-C316 WeakPolarHBondContact O-CB 3.46Å; R313-C316 PolarHBondContact O-N 3.08Å; R313-T317 WeakPolarHBondContact O-CG2 3.37Å; R313-T317 PolarHBondContact O-N 3.44Å
314	S	98.4	Very high	98.4	Very high	28 Å²	28	36.6 Å²	36.6	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-52.7	175	-163.1	0	0	0	0	111.7	G310 G311 L312 C316 T317 Y318	G310-S314 WeakPolarHBondContact O-CB 3.5Å; G310-S314 PolarHBondContact O-N 2.96Å; G311-S314 WeakPolarHBondContact O-CB 3.42Å; G311-S314 PolarHBondContact O-N 2.91Å; L312-S314 VanDerWaalsContact C-N 3.29Å; L312-S314 PolarHBondContact O-N 3.35Å; S314-C316 VanDerWaalsContact C-N 3.29Å; S314-C316 PolarHBondContact O-N 3.42Å; S314-T317 PolarHBondContact O-N 2.68Å; S314-T317 VanDerWaalsContact O-N 3.08Å; S314-T317 PolarHBondContact O-OG1 2.82Å; S314-Y318 VanDerWaalsContact O-CD2 3.23Å; S314-Y318 WeakPolarHBondContact O-CD2 3.22Å; S314-Y318 PolarHBondContact O-N 3.45Å; S314-Y318 VanDerWaalsContact O-N 3.1Å
315	A	98.4	Very high	98.3	Very high	19 Å²	19	42 Å²	42	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-55.6	-43.9	177.2	0	0	0	0	0	112.2	A229 G311 L312 T317 Y318 V319	A229-A315 HydrophobicContact CB-CB 3.69Å; G311-A315 PolarHBondContact O-N 3.28Å; L312-A315 PolarHBondContact O-N 3.1Å; A315-T317 PolarHBondContact O-N 3.42Å; A315-Y318 PolarHBondContact O-N 3.3Å; A315-V319 PolarHBondContact O-N 3.05Å
316	C	98.5	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-43.8	176.2	-71.2	0	0	0	0	112.4	V29 L312 R313 S314 Y318 V319 G320 A321	V29-C316 HydrophobicContact CB-CB 4.43Å; V29-C316 HydrophobicContact CG1-CB 3.58Å; V29-C316 HydrophobicContact CG2-CB 3.97Å; L312-C316 WeakPolarHBondContact O-CB 3.29Å; L312-C316 PolarHBondContact O-N 2.67Å; L312-C316 PolarHBondContact O-SG 2.97Å; R313-C316 WeakPolarHBondContact O-CB 3.46Å; R313-C316 PolarHBondContact O-N 3.08Å; S314-C316 VanDerWaalsContact C-N 3.29Å; S314-C316 PolarHBondContact O-N 3.42Å; C316-Y318 VanDerWaalsContact C-N 3.33Å; C316-Y318 PolarHBondContact O-N 2.98Å; C316-V319 WeakPolarHBondContact O-CG2 3.23Å; C316-V319 PolarHBondContact O-N 3.27Å; C316-G320 PolarHBondContact O-N 3.19Å; C316-A321 HydrophobicContact CB-CB 4.04Å; C316-A321 WeakPolarHBondContact CB-O 3.35Å; C316-A321 PolarHBondContact O-N 3.27Å
317	T	98.3	Very high	98.3	Very high	27 Å²	27	37.7 Å²	37.7	17%	0.166	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-38.3	176	61.3	0	0	0	0	112.9	S21 L23 R26 V29 R313 S314 A315 V319 G320	S21-T317 WeakPolarHBondContact CB-O 3.45Å; S21-T317 PolarHBondContact OG-O 3.01Å; S21-T317 VanDerWaalsContact OG-O 3.05Å; L23-T317 HydrophobicContact CB-CG2 4.36Å; L23-T317 HydrophobicContact CD1-CG2 4.26Å; R26-T317 HydrophobicContact CB-CG2 4.41Å; R26-T317 HydrophobicContact CG-CG2 3.91Å; V29-T317 HydrophobicContact CG2-CG2 3.8Å; R313-T317 WeakPolarHBondContact O-CG2 3.37Å; R313-T317 PolarHBondContact O-N 3.44Å; S314-T317 PolarHBondContact O-N 2.68Å; S314-T317 VanDerWaalsContact O-N 3.08Å; S314-T317 PolarHBondContact O-OG1 2.82Å; A315-T317 PolarHBondContact O-N 3.42Å; T317-V319 VanDerWaalsContact C-N 3.29Å; T317-V319 PolarHBondContact O-N 3.37Å; T317-G320 PolarHBondContact O-N 3.36Å
318	Y	98.4	Very high	98.2	Very high	149 Å²	149	35.5 Å²	35.5	58%	0.584	18%	0.183	S	C	*	.	H	α-helix	trans	-65.6	-28.7	178.4	-79.9	-64.1	0	0	0	113.5	P18 K19 S314 A315 C316	P18-Y318 CarbonylContact C-O 3.47Å; P18-Y318 WeakPolarHBondContact CA-O 3.21Å; P18-Y318 HydrophobicContact CB-CD1 4.48Å; P18-Y318 WeakPolarHBondContact CB-O 3.48Å; K19-Y318 PolarHBondContact N-O 3.24Å; S314-Y318 VanDerWaalsContact O-CD2 3.23Å; S314-Y318 WeakPolarHBondContact O-CD2 3.22Å; S314-Y318 PolarHBondContact O-N 3.45Å; S314-Y318 VanDerWaalsContact O-N 3.1Å; A315-Y318 PolarHBondContact O-N 3.3Å; C316-Y318 VanDerWaalsContact C-N 3.33Å; C316-Y318 PolarHBondContact O-N 2.98Å
319	V	98.2	Very high	98.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-100.8	-3	177.3	-58.6	0	0	0	0	113.8	I16 A315 C316 T317 A321 L327 R330	I16-V319 HydrophobicContact CG2-CG1 3.43Å; I16-V319 VanDerWaalsContact CG2-CG1 3.43Å; A315-V319 PolarHBondContact O-N 3.05Å; C316-V319 WeakPolarHBondContact O-CG2 3.23Å; C316-V319 PolarHBondContact O-N 3.27Å; T317-V319 VanDerWaalsContact C-N 3.29Å; T317-V319 PolarHBondContact O-N 3.37Å; V319-A321 HydrophobicContact CG2-CB 3.84Å; V319-L327 HydrophobicContact CG2-CD1 3.65Å; V319-R330 HydrophobicContact CB-CB 4.06Å; V319-R330 HydrophobicContact CG2-CB 4.03Å
320	G	97.9	Very high	98.1	Very high	6 Å²	6	48.4 Å²	48.4	6%	0.062	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	30.4	-176.7	0	0	0	0	0	114.8	S21 C316 T317 R330	S21-G320 WeakPolarHBondContact OG-CA 3.42Å; C316-G320 PolarHBondContact O-N 3.19Å; T317-G320 PolarHBondContact O-N 3.36Å; G320-R330 WeakPolarHBondContact O-CD 3.36Å; G320-R330 PolarHBondContact O-NE 3.4Å; G320-R330 VanDerWaalsContact O-NE 3.09Å; G320-R330 PolarHBondContact O-NH1 3.2Å; G320-R330 PolarHBondContact O-NH2 3.3Å
321	A	98.1	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.227	C	C	.	.			trans	-89.5	111.2	174.6	0	0	0	0	0	110	L23 C316 V319 R323 E326	L23-A321 WeakPolarHBondContact CD1-O 3.44Å; C316-A321 HydrophobicContact CB-CB 4.04Å; C316-A321 WeakPolarHBondContact CB-O 3.35Å; C316-A321 PolarHBondContact O-N 3.27Å; V319-A321 HydrophobicContact CG2-CB 3.84Å; A321-R323 VanDerWaalsContact C-N 3.26Å; A321-E326 HydrophobicContact CB-CB 3.94Å
322	S	97.8	Very high	98.1	Very high	43 Å²	43	49.5 Å²	49.5	30%	0.301	23%	0.232	S	C	.	.	S	Bend	trans	-75.6	-19.2	174.6	54.1	0	0	0	0	112.8	V29 E30 E326	V29-S322 WeakPolarHBondContact CA-O 3.26Å; E30-S322 PolarHBondContact N-O 3.35Å; S322-E326 PolarHBondContact OG-OE1 3.43Å
323	R	98	Very high	98.1	Very high	116 Å²	116	52.2 Å²	52.2	44%	0.438	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-133.2	145.5	178.2	-59.3	176.5	-71.9	-170.2	-5.9	109.5	E30 A321 K325 E326	E30-R323 HydrophobicContact CB-CG 4.07Å; E30-R323 CarbonylContact O-C 3.5Å; E30-R323 VanDerWaalsContact O-CA 3.29Å; E30-R323 WeakPolarHBondContact O-CA 3.34Å; E30-R323 WeakPolarHBondContact OE2-CD 3.39Å; E30-R323 WeakPolarHBondContact OE2-CG 3.21Å; A321-R323 VanDerWaalsContact C-N 3.26Å; R323-K325 PolarHBondContact O-N 3.05Å; R323-K325 VanDerWaalsContact O-N 3.09Å; R323-E326 HydrophobicContact CB-CG 4.47Å; R323-E326 IonicContact CZ-OE1 3.51Å; R323-E326 IonicContact NE-OE1 2.8Å; R323-E326 PolarHBondContact NE-OE1 2.79Å; R323-E326 VanDerWaalsContact NE-OE1 3.15Å; R323-E326 IonicContact NH2-OE1 2.61Å; R323-E326 PolarHBondContact NH2-OE1 2.87Å; R323-E326 WeakPolarHBondContact O-CB 3.27Å; R323-E326 PolarHBondContact O-N 2.79Å
324	L	97.8	Very high	98.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-55.3	-31.3	177.4	-176.3	61.9	0	0	0	112.4	E30 L31 R33 P48 F232 E326 L327	E30-L324 PolarHBondContact O-N 2.94Å; L31-L324 HydrophobicContact CD2-CB 4.39Å; L31-L324 WeakPolarHBondContact O-CD2 3.47Å; R33-L324 HydrophobicContact CG-CD2 4.27Å; P48-L324 HydrophobicContact CG-CD2 3.69Å; F232-L324 HydrophobicContact CB-CD1 4.29Å; F232-L324 HydrophobicContact CD1-CD2 4.4Å; F232-L324 HydrophobicContact CD2-CD1 4.03Å; F232-L324 HydrophobicContact CD2-CD2 4.41Å; F232-L324 HydrophobicContact CE1-CD2 4.19Å; F232-L324 HydrophobicContact CE2-CD2 4.16Å; F232-L324 HydrophobicContact CG-CD1 4.08Å; F232-L324 HydrophobicContact CZ-CD2 4.07Å; L324-E326 PolarHBondContact O-N 2.59Å; L324-E326 VanDerWaalsContact O-N 3.08Å; L324-L327 HydrophobicContact CD1-CB 4.22Å; L324-L327 HydrophobicContact CD1-CD2 3.69Å; L324-L327 VanDerWaalsContact O-CB 3.28Å; L324-L327 WeakPolarHBondContact O-CB 3.22Å; L324-L327 PolarHBondContact O-N 2.84Å
325	K	96.8	Very high	98.1	Very high	131 Å²	131	59.5 Å²	59.5	57%	0.57	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-54.2	-26.2	173.6	-174.7	173.4	-179.8	171	0	113.8	R323	R323-K325 PolarHBondContact O-N 3.05Å; R323-K325 VanDerWaalsContact O-N 3.09Å
326	E	98.1	Very high	98	Very high	31 Å²	31	60.2 Å²	60.2	15%	0.145	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-91.2	-13.7	-177.8	-57.4	-178.1	-162.1	0	0	113	A321 S322 R323 L324 T328 K329 R330	A321-E326 HydrophobicContact CB-CB 3.94Å; S322-E326 PolarHBondContact OG-OE1 3.43Å; R323-E326 HydrophobicContact CB-CG 4.47Å; R323-E326 IonicContact CZ-OE1 3.51Å; R323-E326 IonicContact NE-OE1 2.8Å; R323-E326 PolarHBondContact NE-OE1 2.79Å; R323-E326 VanDerWaalsContact NE-OE1 3.15Å; R323-E326 IonicContact NH2-OE1 2.61Å; R323-E326 PolarHBondContact NH2-OE1 2.87Å; R323-E326 WeakPolarHBondContact O-CB 3.27Å; R323-E326 PolarHBondContact O-N 2.79Å; L324-E326 PolarHBondContact O-N 2.59Å; L324-E326 VanDerWaalsContact O-N 3.08Å; E326-T328 PolarHBondContact O-N 3.23Å; E326-K329 PolarHBondContact O-N 3Å; E326-R330 WeakPolarHBondContact O-CB 3.34Å; E326-R330 WeakPolarHBondContact O-CG 3.24Å; E326-R330 PolarHBondContact O-N 3.44Å; E326-R330 IonicContact OE2-CZ 3.56Å; E326-R330 IonicContact OE2-NE 3.85Å; E326-R330 PolarHBondContact OE2-NE 2.98Å; E326-R330 IonicContact OE2-NH2 3.25Å; E326-R330 PolarHBondContact OE2-NH2 2.8Å
327	L	98.3	Very high	97.8	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.5	-48.5	-173.9	179.3	55.2	0	0	0	111.6	F232 V319 L324 K329 R330 T331	F232-L327 HydrophobicContact CB-CD2 3.76Å; V319-L327 HydrophobicContact CG2-CD1 3.65Å; L324-L327 HydrophobicContact CD1-CB 4.22Å; L324-L327 HydrophobicContact CD1-CD2 3.69Å; L324-L327 VanDerWaalsContact O-CB 3.28Å; L324-L327 WeakPolarHBondContact O-CB 3.22Å; L324-L327 PolarHBondContact O-N 2.84Å; L327-K329 PolarHBondContact O-N 2.95Å; L327-R330 CarbonylContact O-C 3.5Å; L327-R330 PolarHBondContact O-N 3.12Å; L327-T331 WeakPolarHBondContact O-CB 3.39Å; L327-T331 PolarHBondContact O-N 2.61Å; L327-T331 PolarHBondContact O-OG1 2.8Å
328	T	97.6	Very high	97.5	Very high	50 Å²	50	75.5 Å²	75.5	31%	0.307	35%	0.349	S	S	.	.	H	α-helix	trans	-56.9	-52.8	178	-43.8	0	0	0	0	111.5	F232 E326 R330 T331	F232-T328 PolarHBondContact O-OG1 2.96Å; E326-T328 PolarHBondContact O-N 3.23Å; T328-R330 PolarHBondContact O-N 3.45Å; T328-R330 VanDerWaalsContact O-N 3.15Å; T328-T331 WeakPolarHBondContact O-CB 3.26Å; T328-T331 PolarHBondContact O-N 3.21Å
329	K	97.5	Very high	97.1	Very high	190 Å²	190	70.8 Å²	70.8	83%	0.826	33%	0.333	S	S	*	.	H	α-helix	trans	-61.8	-27.1	-179.8	-67.7	-172.4	177.3	-173.6	0	113.3	E326 L327	E326-K329 PolarHBondContact O-N 3Å; L327-K329 PolarHBondContact O-N 2.95Å
330	R	98.1	Very high	96.7	Very high	91 Å²	91	74.5 Å²	74.5	34%	0.343	35%	0.35	S	S	.	.	H	α-helix	trans	-96.2	-4.8	179.4	-65.8	172.6	-177.7	-83.1	5	112.8	K19 V319 G320 E326 L327 T328	K19-R330 VanDerWaalsContact CD-O 3.31Å; K19-R330 WeakPolarHBondContact CD-O 3.33Å; K19-R330 WeakPolarHBondContact CE-O 3.29Å; K19-R330 PolarHBondContact NZ-O 3.09Å; V319-R330 HydrophobicContact CB-CB 4.06Å; V319-R330 HydrophobicContact CG2-CB 4.03Å; G320-R330 WeakPolarHBondContact O-CD 3.36Å; G320-R330 PolarHBondContact O-NE 3.4Å; G320-R330 VanDerWaalsContact O-NE 3.09Å; G320-R330 PolarHBondContact O-NH1 3.2Å; G320-R330 PolarHBondContact O-NH2 3.3Å; E326-R330 WeakPolarHBondContact O-CB 3.34Å; E326-R330 WeakPolarHBondContact O-CG 3.24Å; E326-R330 PolarHBondContact O-N 3.44Å; E326-R330 IonicContact OE2-CZ 3.56Å; E326-R330 IonicContact OE2-NE 3.85Å; E326-R330 PolarHBondContact OE2-NE 2.98Å; E326-R330 IonicContact OE2-NH2 3.25Å; E326-R330 PolarHBondContact OE2-NH2 2.8Å; L327-R330 CarbonylContact O-C 3.5Å; L327-R330 PolarHBondContact O-N 3.12Å; T328-R330 PolarHBondContact O-N 3.45Å; T328-R330 VanDerWaalsContact O-N 3.15Å
331	T	98.6	Very high	96.2	Very high	19 Å²	19	79 Å²	79	12%	0.117	37%	0.373	C	S	.	.			trans	-75.2	139.2	178.9	-68.9	0	0	0	0	110.7	I16 G233 L327 T328 F333	I16-T331 HydrophobicContact CG1-CG2 4.43Å; I16-T331 HydrophobicContact CG2-CG2 4.42Å; G233-T331 VanDerWaalsContact CA-OG1 3.27Å; G233-T331 WeakPolarHBondContact CA-OG1 3.37Å; L327-T331 WeakPolarHBondContact O-CB 3.39Å; L327-T331 PolarHBondContact O-N 2.61Å; L327-T331 PolarHBondContact O-OG1 2.8Å; T328-T331 WeakPolarHBondContact O-CB 3.26Å; T328-T331 PolarHBondContact O-N 3.21Å; T331-F333 HydrophobicContact CG2-CD1 4.11Å; T331-F333 HydrophobicContact CG2-CD2 3.98Å; T331-F333 HydrophobicContact CG2-CE1 3.81Å; T331-F333 HydrophobicContact CG2-CE2 3.67Å; T331-F333 HydrophobicContact CG2-CG 4.19Å; T331-F333 HydrophobicContact CG2-CZ 3.58Å
332	T	98.6	Very high	95.9	Very high	59 Å²	59	86.6 Å²	86.6	36%	0.362	40%	0.401	S	S	.	.			trans	-140	113.4	165	-61.9	0	0	0	0	105.7	R17 K19	R17-T332 HydrophobicContact CB-CG2 4.48Å; R17-T332 WeakPolarHBondContact CB-O 3.36Å; R17-T332 PolarHBondContact N-O 3.29Å; K19-T332 WeakPolarHBondContact CE-OG1 3.46Å; K19-T332 PolarHBondContact NZ-OG1 2.73Å
333	F	98.5	Very high	95.5	Very high	57 Å²	57	90.6 Å²	90.6	25%	0.25	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	142.5	179.2	-69.6	-62.4	0	0	0	111.2	V14 L15 I16 L199 I203 K230 T331	V14-F333 HydrophobicContact CB-CB 4.13Å; V14-F333 HydrophobicContact CB-CD1 3.94Å; V14-F333 HydrophobicContact CB-CG 4.29Å; V14-F333 HydrophobicContact CG1-CB 4.18Å; V14-F333 HydrophobicContact CG2-CD1 3.5Å; V14-F333 HydrophobicContact CG2-CE1 3.9Å; V14-F333 HydrophobicContact CG2-CG 4.14Å; L15-F333 CarbonylContact O-C 3.49Å; L15-F333 WeakPolarHBondContact O-CA 3.36Å; I16-F333 HydrophobicContact CD1-CE1 4.46Å; I16-F333 HydrophobicContact CG1-CD1 4.13Å; I16-F333 HydrophobicContact CG1-CE1 3.79Å; L199-F333 HydrophobicContact CD1-CE2 4.09Å; L199-F333 HydrophobicContact CD1-CZ 3.9Å; L199-F333 HydrophobicContact CD2-CE1 4.45Å; L199-F333 HydrophobicContact CD2-CE2 4.43Å; L199-F333 HydrophobicContact CD2-CZ 4.35Å; I203-F333 HydrophobicContact CD1-CE2 4.38Å; K230-F333 HydrophobicContact CB-CE1 4.1Å; K230-F333 HydrophobicContact CB-CZ 4.47Å; K230-F333 HydrophobicContact CG-CE1 4.11Å; K230-F333 WeakPolarHBondContact O-CZ 3.49Å; T331-F333 HydrophobicContact CG2-CD1 4.11Å; T331-F333 HydrophobicContact CG2-CD2 3.98Å; T331-F333 HydrophobicContact CG2-CE1 3.81Å; T331-F333 HydrophobicContact CG2-CE2 3.67Å; T331-F333 HydrophobicContact CG2-CG 4.19Å; T331-F333 HydrophobicContact CG2-CZ 3.58Å
334	I	98	Very high	95	Very high	78 Å²	78	91.7 Å²	91.7	40%	0.4	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.3	169.3	-60.9	166.8	0	0	0	106.1	V14 L15 R17	V14-I334 CarbonylContact C-O 3.48Å; V14-I334 WeakPolarHBondContact CA-O 3.2Å; L15-I334 PolarHBondContact N-O 2.92Å; L15-I334 PolarHBondContact O-N 3.15Å; R17-I334 HydrophobicContact CB-CD1 3.61Å; R17-I334 HydrophobicContact CB-CG1 4.01Å; R17-I334 HydrophobicContact CG-CD1 3.85Å
335	R	97.8	Very high	94.4	Very high	182 Å²	182	96.1 Å²	96.1	69%	0.687	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	140.3	173	-66.5	-177.8	-61.3	164.8	1.9	110	L9 D13	L9-R335 HydrophobicContact CD1-CG 4.1Å; D13-R335 WeakPolarHBondContact O-CA 3.21Å
336	V	97.4	Very high	93.5	Very high	34 Å²	34	97.6 Å²	97.6	21%	0.206	46%	0.464	C	S	.	.			trans	-132.3	152.6	-179.3	-63	0	0	0	0	111.2	D13 L15	D13-V336 PolarHBondContact O-N 2.84Å; L15-V336 HydrophobicContact CB-CG1 4.25Å; L15-V336 HydrophobicContact CD1-CG1 3.76Å; L15-V336 HydrophobicContact CG-CG1 3.74Å; L15-V336 HydrophobicContact CG-CG2 4.28Å
337	L	94.9	Very high	91.8	Very high	185 Å²	185	105.2 Å²	105.2	97%	0.969	51%	0.505	S	S	*	.	S	Bend	trans	-85.4	-32.5	164.9	-64.3	176.4	0	0	0	110.9
338	E	90.6	Very high	91.5	Very high	163 Å²	163	110.5 Å²	110.5	76%	0.762	53%	0.53	S	S	*	.			trans	-128.5	122.8	-178.7	-63	-176.5	165.5	0	0	110.1
339	Q	89.9	Confident	91.2	Very high	49 Å²	49	113.6 Å²	113.6	23%	0.229	54%	0.542	C	S	.	.	S	Bend	trans	-85.9	-30.5	179.3	76.4	170.5	6.9	0	0	113.3
340	E	90.4	Very high	90.8	Very high	80 Å²	80	109.4 Å²	109.4	37%	0.374	53%	0.526	S	S	.	.	S	Bend	trans	-152.1	148.4	-170	74.4	-163.9	150.4	0	0	109.2	R342	E340-R342 HydrophobicContact CG-CG 3.65Å; E340-R342 PolarHBondContact O-N 2.93Å; E340-R342 IonicContact OE1-CZ 3.02Å; E340-R342 VanDerWaalsContact OE1-CZ 3.3Å; E340-R342 IonicContact OE1-NE 2.9Å; E340-R342 PolarHBondContact OE1-NE 3.16Å; E340-R342 IonicContact OE1-NH2 2.77Å; E340-R342 PolarHBondContact OE1-NH2 3.43Å
341	N	88.6	Confident	90.4	Very high	101 Å²	101	110.5 Å²	110.5	54%	0.54	54%	0.536	S	S	.	.			trans	-78.6	117.8	168.8	-176.5	-21.1	0	0	0	108.9	I343	N341-I343 WeakPolarHBondContact OD1-CB 3.21Å; N341-I343 WeakPolarHBondContact OD1-CG1 3.47Å; N341-I343 PolarHBondContact OD1-N 2.99Å
342	R	90.2	Very high	89.9	Confident	158 Å²	158	116.2 Å²	116.2	60%	0.596	56%	0.563	S	S	*	*			trans	-97.7	1.4	-178.3	-63.6	-176	171.4	172.8	-1.8	114.5	E340 F344 N345	E340-R342 HydrophobicContact CG-CG 3.65Å; E340-R342 PolarHBondContact O-N 2.93Å; E340-R342 IonicContact OE1-CZ 3.02Å; E340-R342 VanDerWaalsContact OE1-CZ 3.3Å; E340-R342 IonicContact OE1-NE 2.9Å; E340-R342 PolarHBondContact OE1-NE 3.16Å; E340-R342 IonicContact OE1-NH2 2.77Å; E340-R342 PolarHBondContact OE1-NH2 3.43Å; R342-F344 PolarHBondContact O-N 3.14Å; R342-F344 VanDerWaalsContact O-N 3.14Å; R342-N345 PolarHBondContact O-N 3.21Å
343	I	89.3	Confident	89.3	Confident	127 Å²	127	120 Å²	120	65%	0.651	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-32.3	-173.2	-67.7	171.5	0	0	0	111.6	N341	N341-I343 WeakPolarHBondContact OD1-CB 3.21Å; N341-I343 WeakPolarHBondContact OD1-CG1 3.47Å; N341-I343 PolarHBondContact OD1-N 2.99Å
344	F	88.9	Confident	88.6	Confident	140 Å²	140	124.5 Å²	124.5	61%	0.614	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	5.8	-175.5	-58.6	-78.1	0	0	0	114.5	R342 N346 L347	R342-F344 PolarHBondContact O-N 3.14Å; R342-F344 VanDerWaalsContact O-N 3.14Å; F344-N346 VanDerWaalsContact C-N 3.25Å; F344-N346 PolarHBondContact O-N 3.28Å; F344-L347 HydrophobicContact CD1-CD1 3.53Å; F344-L347 HydrophobicContact CE1-CD1 4.11Å
345	N	84.7	Confident	87.9	Confident	94 Å²	94	128.1 Å²	128.1	50%	0.503	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.2	-13.9	-172.6	-71.4	10.4	0	0	0	114.2	R342	R342-N345 PolarHBondContact O-N 3.21Å
346	N	78.8	Confident	87.1	Confident	161 Å²	161	123.6 Å²	123.6	86%	0.861	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	13.3	-176.9	-60.9	-30.6	0	0	0	113.1	F344	F344-N346 VanDerWaalsContact C-N 3.25Å; F344-N346 PolarHBondContact O-N 3.28Å
347	L	61.3	Low	86.1	Confident	191 Å²	191	131.7 Å²	131.7	100%	1	65%	0.645	S	S	*	*			trans	-89.2	0	173.6	-66.3	-176	0	0	0	110.5	F344	F344-L347 HydrophobicContact CD1-CD1 3.53Å; F344-L347 HydrophobicContact CE1-CD1 4.11Å

Retrieved 347 of 347 residues in 130.1 ms (Link to these results)

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