A0A096M7U3_POEFO Loading...

Replication stress response regulator SDE2

Inhibits translesion DNA synthesis by preventing monoubiquitination of PCNA, this is necessary to counteract damage due to ultraviolet light-induced replication stress. SDE2 is cleaved following PCNA binding, and its complete degradation is necessary to allow S-phase progression following DNA damage. Plays a role in pre-mRNA splicing by facilitating excision of relatively short introns featuring weak 3'-splice sites (ss) and high GC content. May recruit CACTIN to the spliceosome. Plays a role in ribosome biogenesis by enabling SNORD3- and SNORD118-dependent cleavage of the 47S rRNA precursor. Binds ncRNA (non-coding RNA) including the snoRNAs SNORD3 and SNORD118.

AlphaFold DB , UniProt , Accession A0A096M7U3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 aa.

Structure Viewer

Loading PAE data...

(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	35.7	Very low	38.1	Very low	211 Å²	211	192.3 Å²	192.3	100%	1.039	86%	0.856	S	S	*	*				0	118.8	0	-68.5	170.9	172.1	0	0	109.7
2	R	34	Very low	39	Very low	247 Å²	247	197 Å²	197	93%	0.932	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-85.1	126	167.1	-72.6	-177.7	176	-178.9	-0.8	108.4
3	R	35	Very low	39.8	Very low	234 Å²	234	190.1 Å²	190.1	88%	0.883	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-70.8	126.5	164.7	-71.9	-172.6	177.3	-163.1	-0.8	107.6	Y5	R3-Y5 PolarHBondContact O-N 2.98Å
4	P	43.9	Very low	39.5	Very low	118 Å²	118	190.7 Å²	190.7	77%	0.766	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-70.5	118.8	176	28	-32.4	0	0	0	109.2	K6	P4-K6 PolarHBondContact O-N 3.43Å
5	Y	37.2	Very low	40	Very low	220 Å²	220	185.8 Å²	185.8	86%	0.863	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-61.9	118.2	164.6	-72.1	-90.3	0	0	0	107.7	R3 V7	R3-Y5 PolarHBondContact O-N 2.98Å; Y5-V7 PolarHBondContact O-N 2.82Å
6	K	35.3	Very low	39.7	Very low	194 Å²	194	178.4 Å²	178.4	84%	0.843	84%	0.84	S	S	*	*			trans	-63.2	105.3	173.7	-76.8	-174.8	176.7	-179.5	0	108	P4 L8	P4-K6 PolarHBondContact O-N 3.43Å; K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 2.8Å
7	V	37.4	Very low	40.2	Very low	126 Å²	126	176.5 Å²	176.5	76%	0.764	84%	0.842	S	S	*	*			trans	-63.5	99.8	167.4	179.1	0	0	0	0	107	Y5 R9	Y5-V7 PolarHBondContact O-N 2.82Å; V7-R9 HydrophobicContact CG1-CG 4.32Å; V7-R9 PolarHBondContact O-N 2.85Å
8	L	36.3	Very low	40.4	Very low	147 Å²	147	173.6 Å²	173.6	77%	0.77	84%	0.838	S	S	*	*			trans	-69.3	79.9	172.6	-80.3	166.4	0	0	0	108.7	K6 L10	K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 2.8Å; L8-L10 HydrophobicContact CB-CD1 4.24Å; L8-L10 PolarHBondContact O-N 3.24Å
9	R	41.4	Very low	40.8	Very low	229 Å²	229	173.6 Å²	173.6	86%	0.864	84%	0.843	S	S	*	*			trans	-62.1	88.8	158.9	-76.5	-173.9	173.3	-178.3	-1.9	107.4	V7 R11	V7-R9 HydrophobicContact CG1-CG 4.32Å; V7-R9 PolarHBondContact O-N 2.85Å; R9-R11 PolarHBondContact O-N 3.12Å; R9-R11 VanDerWaalsContact O-N 3.14Å
10	L	42.4	Very low	41.4	Very low	153 Å²	153	167.2 Å²	167.2	80%	0.801	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.3	164.2	-94.2	72.3	0	0	0	107	L8 R12	L8-L10 HydrophobicContact CB-CD1 4.24Å; L8-L10 PolarHBondContact O-N 3.24Å; L10-R12 PolarHBondContact O-N 3.02Å
11	R	40.7	Very low	42.6	Very low	236 Å²	236	162.9 Å²	162.9	89%	0.891	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61	136.4	170.9	-71.3	176.8	167.7	-178.8	-5.5	107.6	R9 P13	R9-R11 PolarHBondContact O-N 3.12Å; R9-R11 VanDerWaalsContact O-N 3.14Å; R11-P13 VanDerWaalsContact O-CD 3.3Å; R11-P13 WeakPolarHBondContact O-CD 3.05Å
12	R	49	Very low	44.5	Very low	249 Å²	249	159.4 Å²	159.4	94%	0.94	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.2	135.8	158.5	-67.1	-177	176.4	-167.3	-2	108.4	L10	L10-R12 PolarHBondContact O-N 3.02Å
13	P	48.9	Very low	47	Very low	107 Å²	107	148.9 Å²	148.9	70%	0.695	76%	0.756	S	S	*	*			trans	-117.1	165.6	150.8	39.7	-30.6	0	0	0	110.7	R11	R11-P13 VanDerWaalsContact O-CD 3.3Å; R11-P13 WeakPolarHBondContact O-CD 3.05Å
14	F	35.9	Very low	49.7	Very low	199 Å²	199	142.2 Å²	142.2	87%	0.873	74%	0.735	S	S	*	*			trans	57.5	105.6	171.3	-77.8	-79.8	0	0	0	119.5
15	S	47.5	Very low	52	Low	117 Å²	117	136.6 Å²	136.6	82%	0.818	70%	0.698	S	S	*	*			trans	-53.8	130.9	143.1	48.9	0	0	0	0	111.7
16	G	35.1	Very low	54.7	Low	68 Å²	68	129.6 Å²	129.6	70%	0.701	67%	0.672	S	S	*	*			trans	-155.8	115.6	164.5	0	0	0	0	0	108.2	T18	G16-T18 PolarHBondContact O-N 3.12Å
17	V	47.6	Very low	57.4	Low	145 Å²	145	120.3 Å²	120.3	88%	0.879	63%	0.632	S	S	*	*			trans	-85.3	101.4	-176	178.8	0	0	0	0	109.6
18	T	43.1	Very low	60	Low	124 Å²	124	115 Å²	115	76%	0.761	60%	0.6	S	S	*	*			trans	-132.2	132.3	155.8	54.3	0	0	0	0	108.7	G16 G20	G16-T18 PolarHBondContact O-N 3.12Å; T18-G20 PolarHBondContact O-N 2.68Å
19	N	49.5	Very low	62.5	Low	175 Å²	175	108.5 Å²	108.5	94%	0.936	57%	0.567	S	S	*	*			trans	-77.9	57.7	167.5	-77.9	-14.8	0	0	0	109.5
20	G	52.8	Low	64.4	Low	45 Å²	45	101.9 Å²	101.9	46%	0.464	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-71.7	125.9	166.4	0	0	0	0	0	108.7	T18 K22	T18-G20 PolarHBondContact O-N 2.68Å; G20-K22 PolarHBondContact O-N 2.78Å
21	A	66.3	Low	66.2	Low	77 Å²	77	98.9 Å²	98.9	64%	0.636	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-53.1	126.9	167.9	0	0	0	0	0	108.3	P41	A21-P41 WeakPolarHBondContact O-CD 3.34Å; A21-P41 WeakPolarHBondContact O-CG 3.46Å
22	K	76	Confident	68.2	Low	137 Å²	137	90 Å²	90	60%	0.596	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-95.1	147.8	174.2	-66.4	-167.2	-170.9	178.2	0	109.5	G20 E38	G20-K22 PolarHBondContact O-N 2.78Å; K22-E38 HydrophobicContact CD-CB 4.27Å; K22-E38 HydrophobicContact CD-CG 4.07Å; K22-E38 WeakPolarHBondContact CD-OE1 3.44Å; K22-E38 IonicContact NZ-OE1 2.69Å; K22-E38 PolarHBondContact NZ-OE1 3.35Å; K22-E38 IonicContact NZ-OE2 2.71Å; K22-E38 PolarHBondContact NZ-OE2 2.66Å
23	M	84.9	Confident	69.6	Low	27 Å²	27	89.6 Å²	89.6	13%	0.133	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.5	-178.2	-170.3	170.1	-162.7	0	0	109.4	V25 E38 F39 L78 Q79 D80	M23-V25 HydrophobicContact CG-CG1 4.4Å; M23-E38 CarbonylContact O-C 3.51Å; M23-E38 VanDerWaalsContact O-CA 3.31Å; M23-E38 WeakPolarHBondContact O-CA 3.11Å; M23-F39 WeakPolarHBondContact CB-O 3.26Å; M23-F39 PolarHBondContact N-O 2.83Å; M23-F39 VanDerWaalsContact N-O 3.08Å; M23-F39 PolarHBondContact O-N 2.82Å; M23-L78 HydrophobicContact CE-CB 3.81Å; M23-L78 WeakPolarHBondContact CE-O 3.1Å; M23-L78 HydrophobicContact SD-CB 3.91Å; M23-Q79 VanDerWaalsContact CE-CA 3.44Å; M23-D80 WeakPolarHBondContact CA-OD1 3.29Å; M23-D80 HydrophobicContact CE-CB 4.11Å; M23-D80 HydrophobicContact CG-CB 4.33Å; M23-D80 WeakPolarHBondContact CG-OD1 3.42Å
24	E	91.6	Very high	71.5	Confident	94 Å²	94	87.6 Å²	87.6	44%	0.439	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.9	178.1	-174.4	168.4	-147.4	0	0	109.9	S36 D80 G81	E24-S36 WeakPolarHBondContact OE1-CB 3.4Å; E24-S36 PolarHBondContact OE1-OG 3.25Å; E24-D80 PolarHBondContact N-OD1 3.32Å; E24-G81 WeakPolarHBondContact O-CA 3.4Å; E24-G81 PolarHBondContact O-N 3.2Å
25	V	92.8	Very high	74.1	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.1	174.7	-57.1	0	0	0	0	110.8	M23 V27 S36 F37 F39 L78 Y84	M23-V25 HydrophobicContact CG-CG1 4.4Å; V25-V27 HydrophobicContact CG2-CG2 4.14Å; V25-S36 CarbonylContact O-C 3.55Å; V25-S36 WeakPolarHBondContact O-CA 3.49Å; V25-F37 PolarHBondContact N-O 2.99Å; V25-F37 VanDerWaalsContact N-O 3.07Å; V25-F37 PolarHBondContact O-N 3.35Å; V25-F39 HydrophobicContact CG2-CD2 3.57Å; V25-F39 HydrophobicContact CG2-CE2 3.61Å; V25-L78 HydrophobicContact CG1-CB 4.22Å; V25-L78 HydrophobicContact CG1-CD1 4.31Å; V25-L78 HydrophobicContact CG2-CD1 4.48Å; V25-Y84 HydrophobicContact CB-CD2 4.03Å; V25-Y84 HydrophobicContact CB-CE2 4.15Å; V25-Y84 HydrophobicContact CG1-CD2 4.39Å; V25-Y84 HydrophobicContact CG1-CE2 4.01Å; V25-Y84 HydrophobicContact CG2-CD2 4.49Å
26	F	93.4	Very high	76.3	Confident	72 Å²	72	77.4 Å²	77.4	32%	0.316	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.1	174.7	-66	-88.1	0	0	0	109.4	G81 A82 V83 Y84	F26-G81 WeakPolarHBondContact CD2-O 3.45Å; F26-A82 PolarHBondContact N-O 2.97Å; F26-V83 HydrophobicContact CB-CB 4.39Å; F26-V83 HydrophobicContact CB-CG1 4.27Å; F26-V83 HydrophobicContact CB-CG2 4.07Å; F26-V83 CarbonylContact O-C 3.57Å; F26-V83 WeakPolarHBondContact O-CA 3.24Å; F26-Y84 PolarHBondContact O-N 3.49Å
27	V	92.8	Very high	78.9	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.1	-179.9	-174.3	0	0	0	0	109.6	V25 F32 C34 S35 F37 V48 F52 Y84 L86	V25-V27 HydrophobicContact CG2-CG2 4.14Å; V27-F32 HydrophobicContact CB-CE2 4.1Å; V27-F32 HydrophobicContact CB-CZ 4.24Å; V27-F32 HydrophobicContact CG1-CE2 4.09Å; V27-F32 HydrophobicContact CG1-CZ 3.85Å; V27-F32 WeakPolarHBondContact O-CE2 3.14Å; V27-C34 CarbonylContact O-C 3.58Å; V27-C34 WeakPolarHBondContact O-CA 3.35Å; V27-S35 PolarHBondContact N-O 2.97Å; V27-S35 PolarHBondContact O-N 3Å; V27-F37 HydrophobicContact CB-CD2 3.87Å; V27-F37 HydrophobicContact CB-CE2 3.95Å; V27-F37 HydrophobicContact CG2-CD2 3.75Å; V27-F37 HydrophobicContact CG2-CE2 4.33Å; V27-V48 HydrophobicContact CB-CG1 4.5Å; V27-V48 HydrophobicContact CG1-CG1 3.92Å; V27-V48 HydrophobicContact CG2-CG1 3.67Å; V27-F52 HydrophobicContact CB-CD2 4.48Å; V27-F52 HydrophobicContact CB-CE2 4.27Å; V27-F52 HydrophobicContact CG1-CD2 3.8Å; V27-F52 HydrophobicContact CG1-CE2 4.09Å; V27-F52 HydrophobicContact CG1-CG 4.45Å; V27-F52 HydrophobicContact CG2-CD2 4.36Å; V27-F52 HydrophobicContact CG2-CE2 3.87Å; V27-Y84 WeakPolarHBondContact CA-O 3.33Å; V27-L86 HydrophobicContact CG1-CD1 3.75Å; V27-L86 HydrophobicContact CG1-CD2 4.46Å
28	V	91.7	Very high	81	Confident	13 Å²	13	74.9 Å²	74.9	8%	0.079	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.5	174.5	175	0	0	0	0	108.4	R33 C34 V83 Y84 R85 L86	V28-R33 WeakPolarHBondContact CG1-O 2.97Å; V28-C34 HydrophobicContact CG2-CB 4Å; V28-V83 HydrophobicContact CG2-CG1 4.08Å; V28-Y84 PolarHBondContact N-O 2.8Å; V28-R85 HydrophobicContact CB-CB 4.25Å; V28-R85 HydrophobicContact CB-CG 4.48Å; V28-R85 HydrophobicContact CG1-CG 4.37Å; V28-R85 WeakPolarHBondContact O-CA 3.2Å; V28-L86 PolarHBondContact O-N 3.09Å
29	A	88.6	Confident	83.3	Confident	11 Å²	11	69.5 Å²	69.5	9%	0.091	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	162	180	0	0	0	0	0	111.2	S31 F32 L86	A29-S31 PolarHBondContact O-N 3.47Å; A29-S31 VanDerWaalsContact O-N 3.08Å; A29-F32 HydrophobicContact CB-CD1 4.05Å; A29-F32 HydrophobicContact CB-CE1 3.71Å; A29-F32 HydrophobicContact CB-CE2 4.44Å; A29-F32 HydrophobicContact CB-CZ 3.92Å; A29-F32 PolarHBondContact N-O 3.18Å; A29-F32 VanDerWaalsContact N-O 3.15Å; A29-F32 CarbonylContact O-C 3.56Å; A29-F32 PolarHBondContact O-N 2.93Å; A29-L86 HydrophobicContact CB-CB 4.43Å
30	P	82.8	Confident	85.2	Confident	90 Å²	90	65.1 Å²	65.1	58%	0.584	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.2	175	-24	34.8	0	0	0	113.5	W63 P88	P30-W63 HydrophobicContact CG-CH2 3.82Å; P30-W63 HydrophobicContact CG-CZ3 3.86Å; P30-P88 HydrophobicContact CG-CG 4.13Å
31	S	79.7	Confident	86.8	Confident	90 Å²	90	67.2 Å²	67.2	63%	0.629	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-21.4	177.2	46.8	0	0	0	0	114.4	A29	A29-S31 PolarHBondContact O-N 3.47Å; A29-S31 VanDerWaalsContact O-N 3.08Å
32	F	82.1	Confident	87.7	Confident	49 Å²	49	65.9 Å²	65.9	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	133.8	179.1	58.9	-89.9	0	0	0	113	V27 A29 C34 F37 F52	V27-F32 HydrophobicContact CB-CE2 4.1Å; V27-F32 HydrophobicContact CB-CZ 4.24Å; V27-F32 HydrophobicContact CG1-CE2 4.09Å; V27-F32 HydrophobicContact CG1-CZ 3.85Å; V27-F32 WeakPolarHBondContact O-CE2 3.14Å; A29-F32 HydrophobicContact CB-CD1 4.05Å; A29-F32 HydrophobicContact CB-CE1 3.71Å; A29-F32 HydrophobicContact CB-CE2 4.44Å; A29-F32 HydrophobicContact CB-CZ 3.92Å; A29-F32 PolarHBondContact N-O 3.18Å; A29-F32 VanDerWaalsContact N-O 3.15Å; A29-F32 CarbonylContact O-C 3.56Å; A29-F32 PolarHBondContact O-N 2.93Å; F32-C34 PolarHBondContact O-N 2.88Å; F32-F37 AromaticContact CE2-CE2 3.71Å; F32-F37 HydrophobicContact CE2-CE2 3.71Å; F32-F37 HydrophobicContact CE2-CZ 4.1Å; F32-F37 AromaticContact CZ-CE2 3.94Å; F32-F37 HydrophobicContact CZ-CE2 3.94Å; F32-F37 HydrophobicContact CZ-CZ 4.15Å; F32-F52 HydrophobicContact CE1-CB 4.46Å; F32-F52 AromaticContact CE1-CD1 3.89Å; F32-F52 HydrophobicContact CE1-CD1 3.89Å; F32-F52 HydrophobicContact CE1-CG 4.27Å; F32-F52 AromaticContact CZ-CD1 3.84Å; F32-F52 HydrophobicContact CZ-CD1 3.84Å; F32-F52 HydrophobicContact CZ-CE1 4.2Å; F32-F52 HydrophobicContact CZ-CG 4.06Å
33	R	78.3	Confident	88.5	Confident	241 Å²	241	60.1 Å²	60.1	91%	0.909	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	-43.6	-167.5	-72.1	-172.4	175.1	-162.3	-0.9	114.9	V28	V28-R33 WeakPolarHBondContact CG1-O 2.97Å
34	C	89.8	Confident	88.9	Confident	65 Å²	65	60 Å²	60	44%	0.439	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	145.3	171.3	-170.6	0	0	0	0	107.6	V27 V28 F32	V27-C34 CarbonylContact O-C 3.58Å; V27-C34 WeakPolarHBondContact O-CA 3.35Å; V28-C34 HydrophobicContact CG2-CB 4Å; F32-C34 PolarHBondContact O-N 2.88Å
35	S	90.9	Very high	88.9	Confident	53 Å²	53	55.5 Å²	55.5	37%	0.371	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	149.1	168.7	-69.6	0	0	0	0	109.6	V27 F37	V27-S35 PolarHBondContact N-O 2.97Å; V27-S35 PolarHBondContact O-N 3Å; S35-F37 WeakPolarHBondContact O-CD2 3.46Å; S35-F37 WeakPolarHBondContact O-CE2 3.08Å
36	S	92.3	Very high	88.8	Confident	50 Å²	50	59.3 Å²	59.3	35%	0.35	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	150	173.7	68.6	0	0	0	0	112	E24 V25	E24-S36 WeakPolarHBondContact OE1-CB 3.4Å; E24-S36 PolarHBondContact OE1-OG 3.25Å; V25-S36 CarbonylContact O-C 3.55Å; V25-S36 WeakPolarHBondContact O-CA 3.49Å
37	F	89.8	Confident	88.6	Confident	53 Å²	53	58.3 Å²	58.3	23%	0.232	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	135.8	-176.9	-62.8	-82.3	0	0	0	111.5	V25 V27 F32 S35 F39 F52	V25-F37 PolarHBondContact N-O 2.99Å; V25-F37 VanDerWaalsContact N-O 3.07Å; V25-F37 PolarHBondContact O-N 3.35Å; V27-F37 HydrophobicContact CB-CD2 3.87Å; V27-F37 HydrophobicContact CB-CE2 3.95Å; V27-F37 HydrophobicContact CG2-CD2 3.75Å; V27-F37 HydrophobicContact CG2-CE2 4.33Å; F32-F37 AromaticContact CE2-CE2 3.71Å; F32-F37 HydrophobicContact CE2-CE2 3.71Å; F32-F37 HydrophobicContact CE2-CZ 4.1Å; F32-F37 AromaticContact CZ-CE2 3.94Å; F32-F37 HydrophobicContact CZ-CE2 3.94Å; F32-F37 HydrophobicContact CZ-CZ 4.15Å; S35-F37 WeakPolarHBondContact O-CD2 3.46Å; S35-F37 WeakPolarHBondContact O-CE2 3.08Å; F37-F39 HydrophobicContact CB-CD2 4.33Å; F37-F39 HydrophobicContact CB-CE2 3.87Å; F37-F52 HydrophobicContact CB-CZ 4.28Å; F37-F52 HydrophobicContact CD1-CE1 4.06Å; F37-F52 AromaticContact CD1-CZ 3.59Å; F37-F52 HydrophobicContact CD1-CZ 3.59Å; F37-F52 HydrophobicContact CD2-CE1 4.28Å; F37-F52 HydrophobicContact CD2-CE2 4.05Å; F37-F52 AromaticContact CD2-CZ 3.53Å; F37-F52 HydrophobicContact CD2-CZ 3.53Å; F37-F52 AromaticContact CE1-CE1 3.64Å; F37-F52 HydrophobicContact CE1-CE1 3.64Å; F37-F52 AromaticContact CE1-CZ 3.65Å; F37-F52 HydrophobicContact CE1-CZ 3.65Å; F37-F52 AromaticContact CE2-CE1 3.88Å; F37-F52 HydrophobicContact CE2-CE1 3.88Å; F37-F52 HydrophobicContact CE2-CE2 4.27Å; F37-F52 AromaticContact CE2-CZ 3.58Å; F37-F52 HydrophobicContact CE2-CZ 3.58Å; F37-F52 HydrophobicContact CG-CE1 4.35Å; F37-F52 HydrophobicContact CG-CE2 4.27Å; F37-F52 AromaticContact CG-CZ 3.52Å; F37-F52 HydrophobicContact CG-CZ 3.52Å; F37-F52 AromaticContact CZ-CE1 3.53Å; F37-F52 HydrophobicContact CZ-CE1 3.53Å; F37-F52 AromaticContact CZ-CZ 3.64Å; F37-F52 HydrophobicContact CZ-CZ 3.64Å
38	E	92.6	Very high	88.4	Confident	107 Å²	107	58.3 Å²	58.3	50%	0.5	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.6	171.4	-58.4	178	144.1	0	0	111.2	K22 M23 R51	K22-E38 HydrophobicContact CD-CB 4.27Å; K22-E38 HydrophobicContact CD-CG 4.07Å; K22-E38 WeakPolarHBondContact CD-OE1 3.44Å; K22-E38 IonicContact NZ-OE1 2.69Å; K22-E38 PolarHBondContact NZ-OE1 3.35Å; K22-E38 IonicContact NZ-OE2 2.71Å; K22-E38 PolarHBondContact NZ-OE2 2.66Å; M23-E38 CarbonylContact O-C 3.51Å; M23-E38 VanDerWaalsContact O-CA 3.31Å; M23-E38 WeakPolarHBondContact O-CA 3.11Å; E38-R51 PolarHBondContact O-NH1 2.86Å; E38-R51 PolarHBondContact O-NH2 3.35Å
39	F	90.6	Very high	88.2	Confident	11 Å²	11	57.8 Å²	57.8	5%	0.048	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	159	168.7	-76.3	-101.2	0	0	0	111.3	M23 V25 F37 D47 V48 R51 F52 L78	M23-F39 WeakPolarHBondContact CB-O 3.26Å; M23-F39 PolarHBondContact N-O 2.83Å; M23-F39 VanDerWaalsContact N-O 3.08Å; M23-F39 PolarHBondContact O-N 2.82Å; V25-F39 HydrophobicContact CG2-CD2 3.57Å; V25-F39 HydrophobicContact CG2-CE2 3.61Å; F37-F39 HydrophobicContact CB-CD2 4.33Å; F37-F39 HydrophobicContact CB-CE2 3.87Å; F39-D47 HydrophobicContact CD1-CB 4.31Å; F39-D47 HydrophobicContact CE1-CB 4.04Å; F39-V48 HydrophobicContact CE1-CG2 4.01Å; F39-V48 HydrophobicContact CE2-CG2 4.19Å; F39-V48 HydrophobicContact CZ-CB 4.19Å; F39-V48 HydrophobicContact CZ-CG1 4.41Å; F39-V48 HydrophobicContact CZ-CG2 3.7Å; F39-R51 VanDerWaalsContact CZ-CD 3.49Å; F39-F52 HydrophobicContact CE2-CE2 4.39Å; F39-F52 HydrophobicContact CZ-CE2 4.03Å; F39-L78 HydrophobicContact CB-CD1 4.08Å; F39-L78 HydrophobicContact CD1-CD1 4.06Å; F39-L78 HydrophobicContact CD2-CD1 4.28Å; F39-L78 HydrophobicContact CG-CD1 3.89Å
40	P	90.3	Very high	88.1	Confident	83 Å²	83	61.2 Å²	61.2	54%	0.539	34%	0.339	S	S	.	.			trans	-67.5	151.5	170.3	-18.7	32.6	0	0	0	112.9	G42 S43	P40-G42 PolarHBondContact O-N 2.86Å; P40-S43 WeakPolarHBondContact O-CB 3.17Å; P40-S43 PolarHBondContact O-N 2.84Å
41	P	86	Confident	88.4	Confident	89 Å²	89	63 Å²	63	58%	0.578	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.6	169.8	-25.3	35.8	0	0	0	111.9	A21 S43	A21-P41 WeakPolarHBondContact O-CD 3.34Å; A21-P41 WeakPolarHBondContact O-CG 3.46Å; P41-S43 VanDerWaalsContact C-N 3.34Å
42	G	85.9	Confident	88.6	Confident	49 Å²	49	60.5 Å²	60.5	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-2	-178.9	0	0	0	0	0	115	P40	P40-G42 PolarHBondContact O-N 2.86Å
43	S	91.4	Very high	88.5	Confident	15 Å²	15	58.8 Å²	58.8	11%	0.105	31%	0.306	C	S	.	.			trans	-54.9	153.2	167.7	-98.6	0	0	0	0	112.6	P40 P41 D47 L78	P40-S43 WeakPolarHBondContact O-CB 3.17Å; P40-S43 PolarHBondContact O-N 2.84Å; P41-S43 VanDerWaalsContact C-N 3.34Å; S43-D47 WeakPolarHBondContact CA-OD2 3.41Å; S43-D47 WeakPolarHBondContact CB-OD2 3.39Å; S43-D47 PolarHBondContact OG-OD2 2.76Å; S43-L78 PolarHBondContact O-N 2.98Å
44	V	93.8	Very high	88	Confident	25 Å²	25	51.9 Å²	51.9	15%	0.152	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-118.2	166.6	-176.7	-70.7	0	0	0	0	112	R46 D47 E76 R77	V44-R46 HydrophobicContact CG2-CB 3.92Å; V44-R46 PolarHBondContact O-N 3.4Å; V44-D47 PolarHBondContact N-OD2 3.21Å; V44-D47 WeakPolarHBondContact O-CB 3.22Å; V44-D47 PolarHBondContact O-N 2.82Å; V44-E76 CarbonylContact C-O 3.59Å; V44-E76 VanDerWaalsContact CA-O 3.27Å; V44-E76 WeakPolarHBondContact CA-O 3.07Å; V44-E76 WeakPolarHBondContact CB-O 3.27Å; V44-R77 HydrophobicContact CG1-CG 4.46Å
45	V	90.8	Very high	86.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-33.3	178.7	171.4	0	0	0	0	112.9	D47 V48 L49 V65 T72 G73 L74 E76 L78 Y84	V45-D47 VanDerWaalsContact C-N 3.31Å; V45-D47 PolarHBondContact O-N 3.19Å; V45-V48 WeakPolarHBondContact O-CB 3.12Å; V45-V48 PolarHBondContact O-N 2.88Å; V45-L49 PolarHBondContact O-N 3.4Å; V45-L49 VanDerWaalsContact O-N 3.13Å; V45-V65 HydrophobicContact CG1-CB 3.59Å; V45-V65 HydrophobicContact CG1-CG1 3.88Å; V45-V65 HydrophobicContact CG1-CG2 3.61Å; V45-T72 HydrophobicContact CG2-CG2 3.73Å; V45-G73 VanDerWaalsContact CB-O 3.27Å; V45-G73 WeakPolarHBondContact CB-O 3.35Å; V45-G73 WeakPolarHBondContact CG2-O 3.27Å; V45-L74 HydrophobicContact CG1-CD2 4.29Å; V45-L74 PolarHBondContact N-O 3.26Å; V45-E76 HydrophobicContact CG2-CB 4.29Å; V45-E76 PolarHBondContact N-O 3.09Å; V45-L78 HydrophobicContact CG2-CD2 4.06Å; V45-Y84 HydrophobicContact CG2-CD1 4.01Å; V45-Y84 HydrophobicContact CG2-CE1 3.62Å
46	R	90.4	Very high	85	Confident	79 Å²	79	61.5 Å²	61.5	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-51.8	-45.6	170.5	172.8	-176.2	-67.7	-78.8	0.5	112.4	V44 V48 L49 E50 L74 E75	V44-R46 HydrophobicContact CG2-CB 3.92Å; V44-R46 PolarHBondContact O-N 3.4Å; R46-V48 VanDerWaalsContact C-N 3.26Å; R46-V48 PolarHBondContact O-N 3.27Å; R46-L49 WeakPolarHBondContact O-CB 3.32Å; R46-L49 PolarHBondContact O-N 2.86Å; R46-E50 WeakPolarHBondContact CD-OE1 3.24Å; R46-E50 HydrophobicContact CG-CG 4.26Å; R46-E50 WeakPolarHBondContact CG-OE1 3.39Å; R46-E50 IonicContact NH1-OE1 2.7Å; R46-E50 PolarHBondContact NH1-OE1 2.93Å; R46-E50 PolarHBondContact O-N 3.37Å; R46-L74 WeakPolarHBondContact CB-O 3.49Å; R46-L74 PolarHBondContact N-O 3.32Å; R46-E75 IonicContact CZ-OE1 2.7Å; R46-E75 VanDerWaalsContact CZ-OE1 3.24Å; R46-E75 IonicContact NE-OE1 3.17Å; R46-E75 PolarHBondContact NE-OE1 3.42Å; R46-E75 IonicContact NE-OE2 3.67Å; R46-E75 IonicContact NH2-OE1 2.71Å; R46-E75 PolarHBondContact NH2-OE1 3.31Å
47	D	89.8	Confident	82.8	Confident	51 Å²	51	68.6 Å²	68.6	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-35.9	-178.2	-53.2	-20.2	0	0	0	111.5	F39 S43 V44 V45 R51	F39-D47 HydrophobicContact CD1-CB 4.31Å; F39-D47 HydrophobicContact CE1-CB 4.04Å; S43-D47 WeakPolarHBondContact CA-OD2 3.41Å; S43-D47 WeakPolarHBondContact CB-OD2 3.39Å; S43-D47 PolarHBondContact OG-OD2 2.76Å; V44-D47 PolarHBondContact N-OD2 3.21Å; V44-D47 WeakPolarHBondContact O-CB 3.22Å; V44-D47 PolarHBondContact O-N 2.82Å; V45-D47 VanDerWaalsContact C-N 3.31Å; V45-D47 PolarHBondContact O-N 3.19Å; D47-R51 WeakPolarHBondContact O-CB 3.31Å; D47-R51 PolarHBondContact O-N 3.01Å; D47-R51 VanDerWaalsContact O-N 3.09Å
48	V	89.1	Confident	81.3	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-43.6	175.1	-173.4	0	0	0	0	110	V27 F39 V45 R46 R51 F52 L78 L86	V27-V48 HydrophobicContact CB-CG1 4.5Å; V27-V48 HydrophobicContact CG1-CG1 3.92Å; V27-V48 HydrophobicContact CG2-CG1 3.67Å; F39-V48 HydrophobicContact CE1-CG2 4.01Å; F39-V48 HydrophobicContact CE2-CG2 4.19Å; F39-V48 HydrophobicContact CZ-CB 4.19Å; F39-V48 HydrophobicContact CZ-CG1 4.41Å; F39-V48 HydrophobicContact CZ-CG2 3.7Å; V45-V48 WeakPolarHBondContact O-CB 3.12Å; V45-V48 PolarHBondContact O-N 2.88Å; R46-V48 VanDerWaalsContact C-N 3.26Å; R46-V48 PolarHBondContact O-N 3.27Å; V48-R51 PolarHBondContact O-N 3.42Å; V48-F52 HydrophobicContact CG1-CD2 3.86Å; V48-F52 HydrophobicContact CG1-CE2 4.1Å; V48-F52 WeakPolarHBondContact O-CD2 3.38Å; V48-F52 PolarHBondContact O-N 3.07Å; V48-L78 HydrophobicContact CG2-CD1 3.75Å; V48-L78 HydrophobicContact CG2-CD2 3.58Å; V48-L78 HydrophobicContact CG2-CG 4.31Å; V48-L86 HydrophobicContact CG1-CD1 4.01Å
49	L	88.1	Confident	80.1	Confident	3 Å²	3	72 Å²	72	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-65	-49.6	179.8	-165.8	73.7	0	0	0	111.5	V45 R46 R51 F52 V53 V60 W63 V65 L74 L86	V45-L49 PolarHBondContact O-N 3.4Å; V45-L49 VanDerWaalsContact O-N 3.13Å; R46-L49 WeakPolarHBondContact O-CB 3.32Å; R46-L49 PolarHBondContact O-N 2.86Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 2.83Å; L49-F52 PolarHBondContact O-N 3.1Å; L49-V53 HydrophobicContact CD1-CG2 3.58Å; L49-V53 HydrophobicContact CG-CG2 3.96Å; L49-V53 VanDerWaalsContact O-CB 3.31Å; L49-V53 WeakPolarHBondContact O-CB 3.21Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 3.36Å; L49-V60 HydrophobicContact CD2-CB 4.37Å; L49-V60 HydrophobicContact CD2-CG1 3.85Å; L49-V60 HydrophobicContact CD2-CG2 4.37Å; L49-W63 HydrophobicContact CD1-CB 3.66Å; L49-W63 HydrophobicContact CD1-CD2 4.45Å; L49-W63 HydrophobicContact CD1-CG 4.07Å; L49-W63 HydrophobicContact CD2-CB 4.23Å; L49-W63 HydrophobicContact CG-CB 4.5Å; L49-V65 HydrophobicContact CD1-CG2 4.09Å; L49-L74 HydrophobicContact CD2-CD2 4.21Å; L49-L86 HydrophobicContact CD1-CD2 4.11Å; L49-L86 HydrophobicContact CD1-CG 4.03Å
50	E	86.4	Confident	79	Confident	82 Å²	82	73.8 Å²	73.8	38%	0.383	38%	0.376	S	S	.	.	H	α-helix	trans	-65.7	-29.5	-179.2	-67.9	178	-166.1	0	0	112.4	R46	R46-E50 WeakPolarHBondContact CD-OE1 3.24Å; R46-E50 HydrophobicContact CG-CG 4.26Å; R46-E50 WeakPolarHBondContact CG-OE1 3.39Å; R46-E50 IonicContact NH1-OE1 2.7Å; R46-E50 PolarHBondContact NH1-OE1 2.93Å; R46-E50 PolarHBondContact O-N 3.37Å
51	R	87.5	Confident	78.3	Confident	129 Å²	129	75.3 Å²	75.3	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-74.5	-27.4	175.9	-172.4	178.5	-172.6	175.4	2	114.3	E38 F39 D47 V48 L49	E38-R51 PolarHBondContact O-NH1 2.86Å; E38-R51 PolarHBondContact O-NH2 3.35Å; F39-R51 VanDerWaalsContact CZ-CD 3.49Å; D47-R51 WeakPolarHBondContact O-CB 3.31Å; D47-R51 PolarHBondContact O-N 3.01Å; D47-R51 VanDerWaalsContact O-N 3.09Å; V48-R51 PolarHBondContact O-N 3.42Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 2.83Å
52	F	85.8	Confident	78.2	Confident	37 Å²	37	72.1 Å²	72.1	16%	0.162	36%	0.357	C	S	.	.	H	α-helix	trans	-118	-15.9	-172.9	-63.2	-61.6	0	0	0	115.5	V27 F32 F37 F39 V48 L49 P54 L86	V27-F52 HydrophobicContact CB-CD2 4.48Å; V27-F52 HydrophobicContact CB-CE2 4.27Å; V27-F52 HydrophobicContact CG1-CD2 3.8Å; V27-F52 HydrophobicContact CG1-CE2 4.09Å; V27-F52 HydrophobicContact CG1-CG 4.45Å; V27-F52 HydrophobicContact CG2-CD2 4.36Å; V27-F52 HydrophobicContact CG2-CE2 3.87Å; F32-F52 HydrophobicContact CE1-CB 4.46Å; F32-F52 AromaticContact CE1-CD1 3.89Å; F32-F52 HydrophobicContact CE1-CD1 3.89Å; F32-F52 HydrophobicContact CE1-CG 4.27Å; F32-F52 AromaticContact CZ-CD1 3.84Å; F32-F52 HydrophobicContact CZ-CD1 3.84Å; F32-F52 HydrophobicContact CZ-CE1 4.2Å; F32-F52 HydrophobicContact CZ-CG 4.06Å; F37-F52 HydrophobicContact CB-CZ 4.28Å; F37-F52 HydrophobicContact CD1-CE1 4.06Å; F37-F52 AromaticContact CD1-CZ 3.59Å; F37-F52 HydrophobicContact CD1-CZ 3.59Å; F37-F52 HydrophobicContact CD2-CE1 4.28Å; F37-F52 HydrophobicContact CD2-CE2 4.05Å; F37-F52 AromaticContact CD2-CZ 3.53Å; F37-F52 HydrophobicContact CD2-CZ 3.53Å; F37-F52 AromaticContact CE1-CE1 3.64Å; F37-F52 HydrophobicContact CE1-CE1 3.64Å; F37-F52 AromaticContact CE1-CZ 3.65Å; F37-F52 HydrophobicContact CE1-CZ 3.65Å; F37-F52 AromaticContact CE2-CE1 3.88Å; F37-F52 HydrophobicContact CE2-CE1 3.88Å; F37-F52 HydrophobicContact CE2-CE2 4.27Å; F37-F52 AromaticContact CE2-CZ 3.58Å; F37-F52 HydrophobicContact CE2-CZ 3.58Å; F37-F52 HydrophobicContact CG-CE1 4.35Å; F37-F52 HydrophobicContact CG-CE2 4.27Å; F37-F52 AromaticContact CG-CZ 3.52Å; F37-F52 HydrophobicContact CG-CZ 3.52Å; F37-F52 AromaticContact CZ-CE1 3.53Å; F37-F52 HydrophobicContact CZ-CE1 3.53Å; F37-F52 AromaticContact CZ-CZ 3.64Å; F37-F52 HydrophobicContact CZ-CZ 3.64Å; F39-F52 HydrophobicContact CE2-CE2 4.39Å; F39-F52 HydrophobicContact CZ-CE2 4.03Å; V48-F52 HydrophobicContact CG1-CD2 3.86Å; V48-F52 HydrophobicContact CG1-CE2 4.1Å; V48-F52 WeakPolarHBondContact O-CD2 3.38Å; V48-F52 PolarHBondContact O-N 3.07Å; L49-F52 PolarHBondContact O-N 3.1Å; F52-P54 WeakPolarHBondContact O-CD 3.37Å; F52-L86 HydrophobicContact CB-CD2 3.87Å
53	V	80.1	Confident	78.3	Confident	13 Å²	13	71.3 Å²	71.3	8%	0.079	34%	0.339	C	S	.	.	S	Bend	trans	-95.8	109.9	171.1	179.9	0	0	0	0	109.1	L49 H55 W63 L86	L49-V53 HydrophobicContact CD1-CG2 3.58Å; L49-V53 HydrophobicContact CG-CG2 3.96Å; L49-V53 VanDerWaalsContact O-CB 3.31Å; L49-V53 WeakPolarHBondContact O-CB 3.21Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 3.36Å; V53-H55 PolarHBondContact O-N 3.45Å; V53-W63 HydrophobicContact CG1-CZ2 4.23Å; V53-W63 VanDerWaalsContact CG1-NE1 3.32Å; V53-W63 HydrophobicContact CG2-CD2 3.69Å; V53-W63 HydrophobicContact CG2-CE3 4.12Å; V53-W63 HydrophobicContact CG2-CG 4.03Å; V53-W63 HydrophobicContact CG2-CH2 4.4Å; V53-W63 HydrophobicContact CG2-CZ2 4.01Å; V53-W63 HydrophobicContact CG2-CZ3 4.45Å; V53-L86 HydrophobicContact CG2-CD2 4.33Å
54	P	67.7	Low	78.2	Confident	95 Å²	95	73.9 Å²	73.9	62%	0.617	35%	0.347	S	S	*	.			trans	-68.8	127.2	-178.2	27.5	-33.8	0	0	0	111.3	F52 Q56	F52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-Q56 PolarHBondContact O-N 2.81Å
55	H	59.9	Low	78.2	Confident	158 Å²	158	72.8 Å²	72.8	73%	0.731	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-6.2	-176	-59.3	-41.9	0	0	0	116.8	V53 F57	V53-H55 PolarHBondContact O-N 3.45Å; H55-F57 PolarHBondContact O-N 2.9Å
56	Q	56.7	Low	78.3	Confident	163 Å²	163	73.8 Å²	73.8	76%	0.762	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.5	-162.7	-71.1	-170.9	-22.2	0	0	115.1	P54	P54-Q56 PolarHBondContact O-N 2.81Å
57	F	47	Very low	78.4	Confident	198 Å²	198	70.9 Å²	70.9	87%	0.868	34%	0.338	S	S	*	.	S	Bend	trans	-150.6	10.5	-175.5	-77.5	-68.9	0	0	0	116.7	H55	H55-F57 PolarHBondContact O-N 2.9Å
58	V	57.1	Low	78.3	Confident	63 Å²	63	75.1 Å²	75.1	38%	0.382	36%	0.36	S	S	.	.			trans	-139.6	130.4	-167.7	-167	0	0	0	0	111.8	D62	V58-D62 HydrophobicContact CG1-CB 3.37Å
59	Y	67.2	Low	78.3	Confident	170 Å²	170	78.8 Å²	78.8	67%	0.667	40%	0.398	S	S	*	.			trans	-74	154.7	173.8	-69	-91.1	0	0	0	110.7	D61 D62	Y59-D61 PolarHBondContact O-N 2.76Å; Y59-D62 WeakPolarHBondContact O-CB 3.41Å; Y59-D62 PolarHBondContact O-N 3.05Å
60	V	68.2	Low	78.3	Confident	47 Å²	47	88.2 Å²	88.2	29%	0.285	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-54.5	-37.1	172.1	161	0	0	0	0	111.3	L49 D62 W63 L74	L49-V60 HydrophobicContact CD2-CB 4.37Å; L49-V60 HydrophobicContact CD2-CG1 3.85Å; L49-V60 HydrophobicContact CD2-CG2 4.37Å; V60-D62 PolarHBondContact O-N 3.16Å; V60-W63 PolarHBondContact O-N 3.07Å; V60-W63 VanDerWaalsContact O-N 3.17Å; V60-L74 HydrophobicContact CG1-CD1 3.67Å
61	D	75.1	Confident	78.6	Confident	115 Å²	115	90.2 Å²	90.2	62%	0.615	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-65.8	-20.8	178.9	-52.2	-67.4	0	0	0	114.3	Y59 W63 R89	Y59-D61 PolarHBondContact O-N 2.76Å; D61-W63 PolarHBondContact O-N 2.82Å; D61-R89 WeakPolarHBondContact O-CD 3.5Å; D61-R89 PolarHBondContact O-NE 2.92Å
62	D	84.2	Confident	78.8	Confident	22 Å²	22	84.4 Å²	84.4	12%	0.118	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-77	5.1	175.3	-81.6	-53.9	0	0	0	113.2	V58 Y59 V60 P88 R89 R91	V58-D62 HydrophobicContact CG1-CB 3.37Å; Y59-D62 WeakPolarHBondContact O-CB 3.41Å; Y59-D62 PolarHBondContact O-N 3.05Å; V60-D62 PolarHBondContact O-N 3.16Å; D62-P88 CarbonylContact O-C 3.58Å; D62-R89 WeakPolarHBondContact O-CB 3.42Å; D62-R89 PolarHBondContact O-N 3.42Å; D62-R91 IonicContact OD1-CZ 3.52Å; D62-R91 IonicContact OD1-NE 2.6Å; D62-R91 PolarHBondContact OD1-NE 3.07Å; D62-R91 IonicContact OD1-NH2 3.02Å; D62-R91 PolarHBondContact OD1-NH2 3.28Å; D62-R91 IonicContact OD2-CZ 3.24Å; D62-R91 IonicContact OD2-NE 2.91Å; D62-R91 IonicContact OD2-NH2 3.64Å; D62-R91 PolarHBondContact OD2-NH2 3.01Å
63	W	88.1	Confident	79	Confident	33 Å²	33	84.3 Å²	84.3	13%	0.125	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	165.4	173.3	-68.7	77.2	0	0	0	111.5	P30 L49 V53 V60 D61 L86 E87 P88 R89	P30-W63 HydrophobicContact CG-CH2 3.82Å; P30-W63 HydrophobicContact CG-CZ3 3.86Å; L49-W63 HydrophobicContact CD1-CB 3.66Å; L49-W63 HydrophobicContact CD1-CD2 4.45Å; L49-W63 HydrophobicContact CD1-CG 4.07Å; L49-W63 HydrophobicContact CD2-CB 4.23Å; L49-W63 HydrophobicContact CG-CB 4.5Å; V53-W63 HydrophobicContact CG1-CZ2 4.23Å; V53-W63 VanDerWaalsContact CG1-NE1 3.32Å; V53-W63 HydrophobicContact CG2-CD2 3.69Å; V53-W63 HydrophobicContact CG2-CE3 4.12Å; V53-W63 HydrophobicContact CG2-CG 4.03Å; V53-W63 HydrophobicContact CG2-CH2 4.4Å; V53-W63 HydrophobicContact CG2-CZ2 4.01Å; V53-W63 HydrophobicContact CG2-CZ3 4.45Å; V60-W63 PolarHBondContact O-N 3.07Å; V60-W63 VanDerWaalsContact O-N 3.17Å; D61-W63 PolarHBondContact O-N 2.82Å; W63-L86 HydrophobicContact CE3-CB 3.99Å; W63-L86 HydrophobicContact CZ3-CB 3.99Å; W63-E87 WeakPolarHBondContact CA-O 3.39Å; W63-E87 VanDerWaalsContact CE3-C 3.44Å; W63-P88 HydrophobicContact CD2-CB 4.14Å; W63-P88 HydrophobicContact CE3-CB 4.14Å; W63-P88 HydrophobicContact CH2-CB 4.11Å; W63-P88 HydrophobicContact CH2-CG 4.35Å; W63-P88 HydrophobicContact CZ2-CB 4.09Å; W63-P88 HydrophobicContact CZ3-CB 4.13Å; W63-P88 HydrophobicContact CZ3-CG 4.31Å; W63-R89 PolarHBondContact O-NE 2.83Å; W63-R89 PolarHBondContact O-NH2 2.94Å
64	Y	90.1	Very high	79.4	Confident	69 Å²	69	85.9 Å²	85.9	27%	0.271	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156.5	161.7	60.2	-78.5	0	0	0	109.4	T66 L71 E87 R89	Y64-T66 HydrophobicContact CD2-CG2 3.81Å; Y64-T66 HydrophobicContact CE2-CG2 3.85Å; Y64-L71 HydrophobicContact CD2-CD1 4.1Å; Y64-L71 HydrophobicContact CG-CD1 4.31Å; Y64-E87 HydrophobicContact CD1-CB 4.26Å; Y64-E87 WeakPolarHBondContact CD1-O 3.47Å; Y64-E87 HydrophobicContact CD2-CB 4.27Å; Y64-E87 HydrophobicContact CE1-CB 3.73Å; Y64-E87 HydrophobicContact CE2-CB 3.7Å; Y64-E87 HydrophobicContact CE2-CG 4.13Å; Y64-E87 VanDerWaalsContact CE2-OE2 3.22Å; Y64-E87 WeakPolarHBondContact CE2-OE2 3.3Å; Y64-E87 VanDerWaalsContact CZ-OE2 3.22Å; Y64-E87 PolarHBondContact N-O 3.08Å; Y64-E87 PolarHBondContact O-N 3.5Å; Y64-E87 WeakPolarHBondContact OH-CB 3.28Å; Y64-E87 PolarHBondContact OH-OE2 3.34Å; Y64-R89 HydrophobicContact CD1-CG 3.66Å; Y64-R89 HydrophobicContact CE1-CG 4.17Å
65	V	92.4	Very high	80.5	Confident	1 Å²	1	86.9 Å²	86.9	1%	0.006	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.7	175.1	-174.8	0	0	0	0	108.5	V45 L49 T72 Y84 R85 L86	V45-V65 HydrophobicContact CG1-CB 3.59Å; V45-V65 HydrophobicContact CG1-CG1 3.88Å; V45-V65 HydrophobicContact CG1-CG2 3.61Å; L49-V65 HydrophobicContact CD1-CG2 4.09Å; V65-T72 PolarHBondContact O-N 3.21Å; V65-T72 PolarHBondContact O-OG1 2.84Å; V65-Y84 HydrophobicContact CG1-CD1 3.88Å; V65-Y84 HydrophobicContact CG1-CG 4.44Å; V65-R85 CarbonylContact C-O 3.55Å; V65-R85 WeakPolarHBondContact CA-O 3.46Å; V65-L86 HydrophobicContact CG1-CD1 4.27Å; V65-L86 HydrophobicContact CG2-CD1 4.23Å; V65-L86 HydrophobicContact CG2-CG 4.18Å
66	T	93.9	Very high	81.9	Confident	21 Å²	21	83 Å²	83	13%	0.129	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.4	173.5	56.1	0	0	0	0	111.7	Y64 R70 R85	Y64-T66 HydrophobicContact CD2-CG2 3.81Å; Y64-T66 HydrophobicContact CE2-CG2 3.85Å; T66-R70 CarbonylContact C-O 3.54Å; T66-R70 WeakPolarHBondContact CA-O 3.29Å; T66-R70 VanDerWaalsContact CB-O 3.26Å; T66-R70 WeakPolarHBondContact CB-O 3.38Å; T66-R85 PolarHBondContact N-O 2.8Å; T66-R85 PolarHBondContact O-N 3.07Å; T66-R85 WeakPolarHBondContact OG1-CB 3.49Å; T66-R85 PolarHBondContact OG1-O 2.85Å
67	T	92.9	Very high	83.7	Confident	19 Å²	19	84.1 Å²	84.1	12%	0.117	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.4	172.7	44	0	0	0	0	108	G69 R70 T72 Y84	T67-G69 PolarHBondContact O-N 2.75Å; T67-R70 PolarHBondContact N-O 3.43Å; T67-R70 PolarHBondContact O-N 3.1Å; T67-T72 HydrophobicContact CG2-CG2 4.01Å; T67-T72 WeakPolarHBondContact CG2-OG1 3.11Å; T67-T72 PolarHBondContact N-OG1 3.47Å; T67-T72 VanDerWaalsContact N-OG1 3.09Å; T67-T72 WeakPolarHBondContact OG1-CG2 3.45Å; T67-T72 PolarHBondContact OG1-OG1 3.5Å; T67-Y84 HydrophobicContact CG2-CD1 3.35Å; T67-Y84 HydrophobicContact CG2-CE1 3.21Å; T67-Y84 HydrophobicContact CG2-CE2 4.42Å; T67-Y84 HydrophobicContact CG2-CG 4.02Å
68	N	87.9	Confident	85.8	Confident	139 Å²	139	75.2 Å²	75.2	74%	0.743	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	34.9	178.7	-58.5	-26.3	0	0	0	114.5	R70	N68-R70 VanDerWaalsContact C-N 3.34Å; N68-R70 PolarHBondContact O-N 2.99Å
69	G	87.4	Confident	87.4	Confident	77 Å²	77	76.9 Å²	76.9	79%	0.794	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	5.7	-179.1	0	0	0	0	0	115.9	T67	T67-G69 PolarHBondContact O-N 2.75Å
70	R	89.6	Confident	88.5	Confident	201 Å²	201	74.1 Å²	74.1	76%	0.758	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	152.3	175.5	-61.9	-173.8	177.6	-146.1	-1.8	111.1	T66 T67 N68 T72	T66-R70 CarbonylContact C-O 3.54Å; T66-R70 WeakPolarHBondContact CA-O 3.29Å; T66-R70 VanDerWaalsContact CB-O 3.26Å; T66-R70 WeakPolarHBondContact CB-O 3.38Å; T67-R70 PolarHBondContact N-O 3.43Å; T67-R70 PolarHBondContact O-N 3.1Å; N68-R70 VanDerWaalsContact C-N 3.34Å; N68-R70 PolarHBondContact O-N 2.99Å; R70-T72 PolarHBondContact O-N 2.82Å
71	L	91.4	Very high	89.4	Confident	124 Å²	124	73.8 Å²	73.8	65%	0.649	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	123.4	171.2	176.6	63.9	0	0	0	109.5	Y64	Y64-L71 HydrophobicContact CD2-CD1 4.1Å; Y64-L71 HydrophobicContact CG-CD1 4.31Å
72	T	92	Very high	90.3	Very high	8 Å²	8	69 Å²	69	5%	0.049	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-94	145.5	-178.5	-30.1	0	0	0	0	110.5	V45 V65 T67 R70 E76 Y84	V45-T72 HydrophobicContact CG2-CG2 3.73Å; V65-T72 PolarHBondContact O-N 3.21Å; V65-T72 PolarHBondContact O-OG1 2.84Å; T67-T72 HydrophobicContact CG2-CG2 4.01Å; T67-T72 WeakPolarHBondContact CG2-OG1 3.11Å; T67-T72 PolarHBondContact N-OG1 3.47Å; T67-T72 VanDerWaalsContact N-OG1 3.09Å; T67-T72 WeakPolarHBondContact OG1-CG2 3.45Å; T67-T72 PolarHBondContact OG1-OG1 3.5Å; R70-T72 PolarHBondContact O-N 2.82Å; T72-E76 HydrophobicContact CG2-CB 4.24Å; T72-E76 HydrophobicContact CG2-CG 4.38Å; T72-E76 WeakPolarHBondContact CG2-OE2 3.29Å; T72-Y84 HydrophobicContact CG2-CE1 4.33Å
73	G	89.8	Confident	90.7	Very high	34 Å²	34	71 Å²	71	35%	0.351	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.8	142.1	174.3	0	0	0	0	0	111.8	V45 E75 E76	V45-G73 VanDerWaalsContact CB-O 3.27Å; V45-G73 WeakPolarHBondContact CB-O 3.35Å; V45-G73 WeakPolarHBondContact CG2-O 3.27Å; G73-E75 VanDerWaalsContact C-N 3.29Å; G73-E75 PolarHBondContact O-N 3.06Å; G73-E76 PolarHBondContact N-OE2 2.84Å; G73-E76 WeakPolarHBondContact O-CB 3.26Å; G73-E76 PolarHBondContact O-N 3.17Å; G73-E76 VanDerWaalsContact O-N 3.1Å
74	L	87.8	Confident	91	Very high	47 Å²	47	69.4 Å²	69.4	25%	0.246	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-34	177.9	-67.7	179.4	0	0	0	112.7	V45 R46 L49 V60 E76	V45-L74 HydrophobicContact CG1-CD2 4.29Å; V45-L74 PolarHBondContact N-O 3.26Å; R46-L74 WeakPolarHBondContact CB-O 3.49Å; R46-L74 PolarHBondContact N-O 3.32Å; L49-L74 HydrophobicContact CD2-CD2 4.21Å; V60-L74 HydrophobicContact CG1-CD1 3.67Å; L74-E76 VanDerWaalsContact C-N 3.32Å
75	E	90.8	Very high	91.1	Very high	116 Å²	116	71.6 Å²	71.6	54%	0.542	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.1	175.6	-46.2	-50	140.3	0	0	112.7	R46 G73	R46-E75 IonicContact CZ-OE1 2.7Å; R46-E75 VanDerWaalsContact CZ-OE1 3.24Å; R46-E75 IonicContact NE-OE1 3.17Å; R46-E75 PolarHBondContact NE-OE1 3.42Å; R46-E75 IonicContact NE-OE2 3.67Å; R46-E75 IonicContact NH2-OE1 2.71Å; R46-E75 PolarHBondContact NH2-OE1 3.31Å; G73-E75 VanDerWaalsContact C-N 3.29Å; G73-E75 PolarHBondContact O-N 3.06Å
76	E	91.1	Very high	91.1	Very high	76 Å²	76	71.7 Å²	71.7	36%	0.355	38%	0.377	S	S	.	.	S	Bend	trans	-71.4	135.6	174.5	-161.8	177.3	149.1	0	0	109	V44 V45 T72 G73 L74	V44-E76 CarbonylContact C-O 3.59Å; V44-E76 VanDerWaalsContact CA-O 3.27Å; V44-E76 WeakPolarHBondContact CA-O 3.07Å; V44-E76 WeakPolarHBondContact CB-O 3.27Å; V45-E76 HydrophobicContact CG2-CB 4.29Å; V45-E76 PolarHBondContact N-O 3.09Å; T72-E76 HydrophobicContact CG2-CB 4.24Å; T72-E76 HydrophobicContact CG2-CG 4.38Å; T72-E76 WeakPolarHBondContact CG2-OE2 3.29Å; G73-E76 PolarHBondContact N-OE2 2.84Å; G73-E76 WeakPolarHBondContact O-CB 3.26Å; G73-E76 PolarHBondContact O-N 3.17Å; G73-E76 VanDerWaalsContact O-N 3.1Å; L74-E76 VanDerWaalsContact C-N 3.32Å
77	R	92.9	Very high	90.9	Very high	186 Å²	186	73.5 Å²	73.5	70%	0.702	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-65.4	145.7	176.4	-71.8	-177.1	178.1	177	0.4	110.2	V44	V44-R77 HydrophobicContact CG1-CG 4.46Å
78	L	91.6	Very high	90.6	Very high	11 Å²	11	75.3 Å²	75.3	6%	0.058	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-62	158.7	170.7	-59.7	-177.9	0	0	0	110.9	M23 V25 F39 S43 V45 V48 Y84	M23-L78 HydrophobicContact CE-CB 3.81Å; M23-L78 WeakPolarHBondContact CE-O 3.1Å; M23-L78 HydrophobicContact SD-CB 3.91Å; V25-L78 HydrophobicContact CG1-CB 4.22Å; V25-L78 HydrophobicContact CG1-CD1 4.31Å; V25-L78 HydrophobicContact CG2-CD1 4.48Å; F39-L78 HydrophobicContact CB-CD1 4.08Å; F39-L78 HydrophobicContact CD1-CD1 4.06Å; F39-L78 HydrophobicContact CD2-CD1 4.28Å; F39-L78 HydrophobicContact CG-CD1 3.89Å; S43-L78 PolarHBondContact O-N 2.98Å; V45-L78 HydrophobicContact CG2-CD2 4.06Å; V48-L78 HydrophobicContact CG2-CD1 3.75Å; V48-L78 HydrophobicContact CG2-CD2 3.58Å; V48-L78 HydrophobicContact CG2-CG 4.31Å; L78-Y84 WeakPolarHBondContact CA-OH 3.41Å; L78-Y84 HydrophobicContact CD2-CD1 4.18Å; L78-Y84 HydrophobicContact CD2-CD2 4.35Å; L78-Y84 HydrophobicContact CD2-CE1 3.72Å; L78-Y84 HydrophobicContact CD2-CE2 3.91Å; L78-Y84 HydrophobicContact CD2-CG 4.49Å
79	Q	90.1	Very high	90.5	Very high	98 Å²	98	74.8 Å²	74.8	46%	0.458	38%	0.384	S	S	.	.			trans	-125.2	135.5	176	-63.2	177.5	23.8	0	0	108.8	M23 A82 Y84	M23-Q79 VanDerWaalsContact CE-CA 3.44Å; Q79-A82 HydrophobicContact CB-CB 3.8Å; Q79-A82 VanDerWaalsContact O-CB 3.22Å; Q79-A82 WeakPolarHBondContact O-CB 3.45Å; Q79-A82 PolarHBondContact O-N 3.48Å; Q79-Y84 PolarHBondContact N-OH 3.25Å
80	D	90.4	Very high	89.9	Confident	113 Å²	113	78.6 Å²	78.6	60%	0.604	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	137.2	-170.4	-162.8	57.7	0	0	0	111	M23 E24 A82	M23-D80 WeakPolarHBondContact CA-OD1 3.29Å; M23-D80 HydrophobicContact CE-CB 4.11Å; M23-D80 HydrophobicContact CG-CB 4.33Å; M23-D80 WeakPolarHBondContact CG-OD1 3.42Å; E24-D80 PolarHBondContact N-OD1 3.32Å; D80-A82 PolarHBondContact O-N 2.61Å; D80-A82 VanDerWaalsContact O-N 3.16Å
81	G	88.9	Confident	89	Confident	40 Å²	40	78 Å²	78	41%	0.412	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-0.3	-170.7	0	0	0	0	0	115.5	E24 F26	E24-G81 WeakPolarHBondContact O-CA 3.4Å; E24-G81 PolarHBondContact O-N 3.2Å; F26-G81 WeakPolarHBondContact CD2-O 3.45Å
82	A	91.9	Very high	88	Confident	15 Å²	15	75.6 Å²	75.6	12%	0.124	39%	0.388	C	S	.	.			trans	-77.5	156.6	-176.3	0	0	0	0	0	113.4	F26 Q79 D80 Y84	F26-A82 PolarHBondContact N-O 2.97Å; Q79-A82 HydrophobicContact CB-CB 3.8Å; Q79-A82 VanDerWaalsContact O-CB 3.22Å; Q79-A82 WeakPolarHBondContact O-CB 3.45Å; Q79-A82 PolarHBondContact O-N 3.48Å; D80-A82 PolarHBondContact O-N 2.61Å; D80-A82 VanDerWaalsContact O-N 3.16Å; A82-Y84 HydrophobicContact CB-CE2 3.83Å
83	V	93.8	Very high	86.9	Confident	63 Å²	63	78.3 Å²	78.3	38%	0.382	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.5	-176.8	-169.1	0	0	0	0	111	F26 V28	F26-V83 HydrophobicContact CB-CB 4.39Å; F26-V83 HydrophobicContact CB-CG1 4.27Å; F26-V83 HydrophobicContact CB-CG2 4.07Å; F26-V83 CarbonylContact O-C 3.57Å; F26-V83 WeakPolarHBondContact O-CA 3.24Å; V28-V83 HydrophobicContact CG2-CG1 4.08Å
84	Y	93.4	Very high	85.9	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.7	177.8	-66.5	-90.4	0	0	0	110.3	V25 F26 V27 V28 V45 V65 T67 T72 L78 Q79 A82	V25-Y84 HydrophobicContact CB-CD2 4.03Å; V25-Y84 HydrophobicContact CB-CE2 4.15Å; V25-Y84 HydrophobicContact CG1-CD2 4.39Å; V25-Y84 HydrophobicContact CG1-CE2 4.01Å; V25-Y84 HydrophobicContact CG2-CD2 4.49Å; F26-Y84 PolarHBondContact O-N 3.49Å; V27-Y84 WeakPolarHBondContact CA-O 3.33Å; V28-Y84 PolarHBondContact N-O 2.8Å; V45-Y84 HydrophobicContact CG2-CD1 4.01Å; V45-Y84 HydrophobicContact CG2-CE1 3.62Å; V65-Y84 HydrophobicContact CG1-CD1 3.88Å; V65-Y84 HydrophobicContact CG1-CG 4.44Å; T67-Y84 HydrophobicContact CG2-CD1 3.35Å; T67-Y84 HydrophobicContact CG2-CE1 3.21Å; T67-Y84 HydrophobicContact CG2-CE2 4.42Å; T67-Y84 HydrophobicContact CG2-CG 4.02Å; T72-Y84 HydrophobicContact CG2-CE1 4.33Å; L78-Y84 WeakPolarHBondContact CA-OH 3.41Å; L78-Y84 HydrophobicContact CD2-CD1 4.18Å; L78-Y84 HydrophobicContact CD2-CD2 4.35Å; L78-Y84 HydrophobicContact CD2-CE1 3.72Å; L78-Y84 HydrophobicContact CD2-CE2 3.91Å; L78-Y84 HydrophobicContact CD2-CG 4.49Å; Q79-Y84 PolarHBondContact N-OH 3.25Å; A82-Y84 HydrophobicContact CB-CE2 3.83Å
85	R	93.6	Very high	85.1	Confident	114 Å²	114	86.3 Å²	86.3	43%	0.43	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.5	180	169.1	-178.7	-72.2	-85.5	-3.3	110.5	V28 V65 T66 E87	V28-R85 HydrophobicContact CB-CB 4.25Å; V28-R85 HydrophobicContact CB-CG 4.48Å; V28-R85 HydrophobicContact CG1-CG 4.37Å; V28-R85 WeakPolarHBondContact O-CA 3.2Å; V65-R85 CarbonylContact C-O 3.55Å; V65-R85 WeakPolarHBondContact CA-O 3.46Å; T66-R85 PolarHBondContact N-O 2.8Å; T66-R85 PolarHBondContact O-N 3.07Å; T66-R85 WeakPolarHBondContact OG1-CB 3.49Å; T66-R85 PolarHBondContact OG1-O 2.85Å; R85-E87 WeakPolarHBondContact CD-OE1 3.32Å; R85-E87 HydrophobicContact CG-CG 3.79Å
86	L	91.5	Very high	84.6	Confident	4 Å²	4	83 Å²	83	2%	0.021	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.6	178.8	-75.7	57.8	0	0	0	108.6	V27 V28 A29 V48 L49 F52 V53 W63 V65	V27-L86 HydrophobicContact CG1-CD1 3.75Å; V27-L86 HydrophobicContact CG1-CD2 4.46Å; V28-L86 PolarHBondContact O-N 3.09Å; A29-L86 HydrophobicContact CB-CB 4.43Å; V48-L86 HydrophobicContact CG1-CD1 4.01Å; L49-L86 HydrophobicContact CD1-CD2 4.11Å; L49-L86 HydrophobicContact CD1-CG 4.03Å; F52-L86 HydrophobicContact CB-CD2 3.87Å; V53-L86 HydrophobicContact CG2-CD2 4.33Å; W63-L86 HydrophobicContact CE3-CB 3.99Å; W63-L86 HydrophobicContact CZ3-CB 3.99Å; V65-L86 HydrophobicContact CG1-CD1 4.27Å; V65-L86 HydrophobicContact CG2-CD1 4.23Å; V65-L86 HydrophobicContact CG2-CG 4.18Å
87	E	89.6	Confident	84.2	Confident	58 Å²	58	86.6 Å²	86.6	27%	0.271	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129	180	-55.4	-156.3	136.7	0	0	110.7	W63 Y64 R85	W63-E87 WeakPolarHBondContact CA-O 3.39Å; W63-E87 VanDerWaalsContact CE3-C 3.44Å; Y64-E87 HydrophobicContact CD1-CB 4.26Å; Y64-E87 WeakPolarHBondContact CD1-O 3.47Å; Y64-E87 HydrophobicContact CD2-CB 4.27Å; Y64-E87 HydrophobicContact CE1-CB 3.73Å; Y64-E87 HydrophobicContact CE2-CB 3.7Å; Y64-E87 HydrophobicContact CE2-CG 4.13Å; Y64-E87 VanDerWaalsContact CE2-OE2 3.22Å; Y64-E87 WeakPolarHBondContact CE2-OE2 3.3Å; Y64-E87 VanDerWaalsContact CZ-OE2 3.22Å; Y64-E87 PolarHBondContact N-O 3.08Å; Y64-E87 PolarHBondContact O-N 3.5Å; Y64-E87 WeakPolarHBondContact OH-CB 3.28Å; Y64-E87 PolarHBondContact OH-OE2 3.34Å; R85-E87 WeakPolarHBondContact CD-OE1 3.32Å; R85-E87 HydrophobicContact CG-CG 3.79Å
88	P	87.7	Confident	83.9	Confident	57 Å²	57	78.9 Å²	78.9	37%	0.37	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.6	178.5	30.7	-32.9	0	0	0	110.3	P30 D62 W63 L90	P30-P88 HydrophobicContact CG-CG 4.13Å; D62-P88 CarbonylContact O-C 3.58Å; W63-P88 HydrophobicContact CD2-CB 4.14Å; W63-P88 HydrophobicContact CE3-CB 4.14Å; W63-P88 HydrophobicContact CH2-CB 4.11Å; W63-P88 HydrophobicContact CH2-CG 4.35Å; W63-P88 HydrophobicContact CZ2-CB 4.09Å; W63-P88 HydrophobicContact CZ3-CB 4.13Å; W63-P88 HydrophobicContact CZ3-CG 4.31Å; P88-L90 PolarHBondContact O-N 3.02Å
89	R	84.8	Confident	83.7	Confident	128 Å²	128	81.2 Å²	81.2	48%	0.483	46%	0.46	S	S	.	.			trans	-70.6	119.7	171.1	-61.3	-170.4	-155	-126.6	2.1	109.1	D61 D62 W63 Y64 R91	D61-R89 WeakPolarHBondContact O-CD 3.5Å; D61-R89 PolarHBondContact O-NE 2.92Å; D62-R89 WeakPolarHBondContact O-CB 3.42Å; D62-R89 PolarHBondContact O-N 3.42Å; W63-R89 PolarHBondContact O-NE 2.83Å; W63-R89 PolarHBondContact O-NH2 2.94Å; Y64-R89 HydrophobicContact CD1-CG 3.66Å; Y64-R89 HydrophobicContact CE1-CG 4.17Å; R89-R91 PolarHBondContact O-N 2.58Å
90	L	75.9	Confident	83.6	Confident	158 Å²	158	81.9 Å²	81.9	83%	0.827	47%	0.465	S	S	*	.			trans	-69.2	114.9	168.6	-58.6	179.3	0	0	0	108.9	P88 G92	P88-L90 PolarHBondContact O-N 3.02Å; L90-G92 PolarHBondContact O-N 3.18Å; L90-G92 VanDerWaalsContact O-N 3.15Å
91	R	69	Low	83.6	Confident	188 Å²	188	80.9 Å²	80.9	71%	0.709	46%	0.459	S	S	*	.			trans	-50.2	121.1	169.8	-73.2	-79.5	172.3	153.5	-4.7	108.4	D62 R89	D62-R91 IonicContact OD1-CZ 3.52Å; D62-R91 IonicContact OD1-NE 2.6Å; D62-R91 PolarHBondContact OD1-NE 3.07Å; D62-R91 IonicContact OD1-NH2 3.02Å; D62-R91 PolarHBondContact OD1-NH2 3.28Å; D62-R91 IonicContact OD2-CZ 3.24Å; D62-R91 IonicContact OD2-NE 2.91Å; D62-R91 IonicContact OD2-NH2 3.64Å; D62-R91 PolarHBondContact OD2-NH2 3.01Å; R89-R91 PolarHBondContact O-N 2.58Å
92	G	72.3	Confident	83.7	Confident	74 Å²	74	87.3 Å²	87.3	76%	0.763	47%	0.471	S	S	*	.			trans	-70.3	134.3	-149.4	0	0	0	0	0	115.8	L90	L90-G92 PolarHBondContact O-N 3.18Å; L90-G92 VanDerWaalsContact O-N 3.15Å
93	G	68.9	Low	83.6	Confident	65 Å²	65	89.4 Å²	89.4	67%	0.67	49%	0.488	S	S	*	.			trans	-138.4	21.9	174.2	0	0	0	0	0	114.2	G95 G96	G93-G95 PolarHBondContact O-N 2.93Å; G93-G96 PolarHBondContact O-N 3.12Å
94	K	68.6	Low	83.5	Confident	205 Å²	205	89.7 Å²	89.7	89%	0.891	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.4	-166.4	-56.8	-174.1	-177.1	-176.8	0	115.1
95	G	70.6	Confident	83.3	Confident	44 Å²	44	91.9 Å²	91.9	45%	0.454	51%	0.51	S	S	.	.	H	α-helix	trans	-71.3	-34.1	-178.2	0	0	0	0	0	115	G93 F97 G98 S99	G93-G95 PolarHBondContact O-N 2.93Å; G95-F97 PolarHBondContact O-N 3.24Å; G95-G98 CarbonylContact O-C 3.58Å; G95-G98 PolarHBondContact O-N 3.37Å; G95-G98 VanDerWaalsContact O-N 3.07Å; G95-S99 PolarHBondContact O-N 3.34Å; G95-S99 PolarHBondContact O-OG 2.67Å
96	G	80.1	Confident	82.9	Confident	46 Å²	46	90.8 Å²	90.8	47%	0.474	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-44.5	-164.9	0	0	0	0	0	115.1	G93 S99 M100	G93-G96 PolarHBondContact O-N 3.12Å; G96-S99 PolarHBondContact O-OG 2.83Å; G96-M100 VanDerWaalsContact O-CB 3.31Å; G96-M100 WeakPolarHBondContact O-CB 3.31Å; G96-M100 PolarHBondContact O-N 3.18Å
97	F	82.1	Confident	82.6	Confident	152 Å²	152	97.9 Å²	97.9	67%	0.667	56%	0.558	S	S	*	*	H	α-helix	trans	-69.1	-38.3	175.3	-177.4	-115.6	0	0	0	111.7	G95 M100 L101	G95-F97 PolarHBondContact O-N 3.24Å; F97-M100 PolarHBondContact O-N 3.36Å; F97-L101 HydrophobicContact CD1-CD1 4Å; F97-L101 HydrophobicContact CE1-CD1 3.51Å; F97-L101 HydrophobicContact CE1-CG 4.21Å; F97-L101 HydrophobicContact CE2-CD1 4.39Å; F97-L101 HydrophobicContact CE2-CD2 4.39Å; F97-L101 HydrophobicContact CE2-CG 4.24Å; F97-L101 HydrophobicContact CZ-CD1 3.74Å; F97-L101 HydrophobicContact CZ-CD2 4.24Å; F97-L101 HydrophobicContact CZ-CG 4.05Å; F97-L101 WeakPolarHBondContact O-CB 3.41Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.33Å
98	G	87.6	Confident	82.5	Confident	23 Å²	23	101.1 Å²	101.1	24%	0.237	58%	0.576	C	S	.	*	H	α-helix	trans	-69.2	-33.5	177.6	0	0	0	0	0	114	G95 R102	G95-G98 CarbonylContact O-C 3.58Å; G95-G98 PolarHBondContact O-N 3.37Å; G95-G98 VanDerWaalsContact O-N 3.07Å; G98-R102 WeakPolarHBondContact O-CG 3.38Å; G98-R102 PolarHBondContact O-N 3.11Å; G98-R102 VanDerWaalsContact O-N 3.14Å
99	S	86.4	Confident	82.5	Confident	60 Å²	60	106.6 Å²	106.6	42%	0.42	60%	0.597	S	S	.	*	H	α-helix	trans	-74.5	-38.3	171.9	54.5	0	0	0	0	111.7	G95 G96 R102 A103	G95-S99 PolarHBondContact O-N 3.34Å; G95-S99 PolarHBondContact O-OG 2.67Å; G96-S99 PolarHBondContact O-OG 2.83Å; S99-R102 PolarHBondContact O-N 2.97Å; S99-A103 WeakPolarHBondContact O-CB 3.27Å; S99-A103 PolarHBondContact O-N 3.43Å
100	M	88.3	Confident	82.5	Confident	112 Å²	112	109.7 Å²	109.7	55%	0.552	61%	0.614	S	S	*	*	H	α-helix	trans	-60.1	-44.9	172.1	-176.5	176.1	179.8	0	0	111.7	G96 F97 R102 A103 L104	G96-M100 VanDerWaalsContact O-CB 3.31Å; G96-M100 WeakPolarHBondContact O-CB 3.31Å; G96-M100 PolarHBondContact O-N 3.18Å; F97-M100 PolarHBondContact O-N 3.36Å; M100-R102 VanDerWaalsContact C-N 3.35Å; M100-R102 PolarHBondContact O-N 2.96Å; M100-A103 PolarHBondContact O-N 3.1Å; M100-L104 HydrophobicContact CE-CD1 4.07Å; M100-L104 HydrophobicContact CG-CD1 3.98Å; M100-L104 WeakPolarHBondContact O-CB 3.47Å; M100-L104 WeakPolarHBondContact O-CG 3.44Å; M100-L104 PolarHBondContact O-N 2.7Å
101	L	90.1	Very high	82.9	Confident	92 Å²	92	107.8 Å²	107.8	48%	0.482	61%	0.609	S	S	.	*	H	α-helix	trans	-64.4	-34.6	174.7	-74.4	-179.3	0	0	0	113	F97 G105	F97-L101 HydrophobicContact CD1-CD1 4Å; F97-L101 HydrophobicContact CE1-CD1 3.51Å; F97-L101 HydrophobicContact CE1-CG 4.21Å; F97-L101 HydrophobicContact CE2-CD1 4.39Å; F97-L101 HydrophobicContact CE2-CD2 4.39Å; F97-L101 HydrophobicContact CE2-CG 4.24Å; F97-L101 HydrophobicContact CZ-CD1 3.74Å; F97-L101 HydrophobicContact CZ-CD2 4.24Å; F97-L101 HydrophobicContact CZ-CG 4.05Å; F97-L101 WeakPolarHBondContact O-CB 3.41Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.33Å; L101-G105 WeakPolarHBondContact O-CA 3.45Å; L101-G105 PolarHBondContact O-N 2.78Å
102	R	90.8	Very high	83.8	Confident	176 Å²	176	104.5 Å²	104.5	66%	0.664	61%	0.61	S	S	*	*	H	α-helix	trans	-69.7	-40	173.5	-77.7	-173.7	-68.1	-91.5	3.9	112.6	G98 S99 M100 G105 A106	G98-R102 WeakPolarHBondContact O-CG 3.38Å; G98-R102 PolarHBondContact O-N 3.11Å; G98-R102 VanDerWaalsContact O-N 3.14Å; S99-R102 PolarHBondContact O-N 2.97Å; M100-R102 VanDerWaalsContact C-N 3.35Å; M100-R102 PolarHBondContact O-N 2.96Å; R102-G105 PolarHBondContact O-N 2.95Å; R102-A106 PolarHBondContact O-N 2.81Å
103	A	91.1	Very high	84.4	Confident	59 Å²	59	104.4 Å²	104.4	49%	0.488	59%	0.592	S	S	.	*	H	α-helix	trans	-65.4	-46.5	176.3	0	0	0	0	0	111.7	S99 M100 A106	S99-A103 WeakPolarHBondContact O-CB 3.27Å; S99-A103 PolarHBondContact O-N 3.43Å; M100-A103 PolarHBondContact O-N 3.1Å; A103-A106 PolarHBondContact O-N 2.89Å
104	L	90.2	Very high	85.3	Confident	68 Å²	68	110 Å²	110	36%	0.356	59%	0.593	S	S	.	*	H	α-helix	trans	-65.5	-39.1	174.4	-68.6	171.1	0	0	0	111.8	M100 A106 Q107 I108	M100-L104 HydrophobicContact CE-CD1 4.07Å; M100-L104 HydrophobicContact CG-CD1 3.98Å; M100-L104 WeakPolarHBondContact O-CB 3.47Å; M100-L104 WeakPolarHBondContact O-CG 3.44Å; M100-L104 PolarHBondContact O-N 2.7Å; L104-A106 PolarHBondContact O-N 3.08Å; L104-Q107 CarbonylContact O-C 3.4Å; L104-Q107 WeakPolarHBondContact O-CA 3.47Å; L104-Q107 PolarHBondContact O-N 3.43Å; L104-I108 HydrophobicContact CB-CD1 4.4Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.8Å
105	G	90.4	Very high	86.3	Confident	47 Å²	47	103.1 Å²	103.1	49%	0.485	56%	0.564	S	S	.	*	H	α-helix	trans	-63.2	-21.2	177.6	0	0	0	0	0	114.5	L101 R102	L101-G105 WeakPolarHBondContact O-CA 3.45Å; L101-G105 PolarHBondContact O-N 2.78Å; R102-G105 PolarHBondContact O-N 2.95Å
106	A	84.4	Confident	87.2	Confident	90 Å²	90	104.4 Å²	104.4	74%	0.744	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-16.3	170.7	0	0	0	0	0	113.4	R102 A103 L104	R102-A106 PolarHBondContact O-N 2.81Å; A103-A106 PolarHBondContact O-N 2.89Å; L104-A106 PolarHBondContact O-N 3.08Å
107	Q	85.1	Confident	87.8	Confident	154 Å²	154	105.4 Å²	105.4	72%	0.72	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-19.9	178.4	-65.3	178.5	-35.7	0	0	113	L104 E109	L104-Q107 CarbonylContact O-C 3.4Å; L104-Q107 WeakPolarHBondContact O-CA 3.47Å; L104-Q107 PolarHBondContact O-N 3.43Å; Q107-E109 PolarHBondContact O-N 3.21Å
108	I	87.9	Confident	88.4	Confident	126 Å²	126	106.4 Å²	106.4	65%	0.646	57%	0.568	S	S	*	*	S	Bend	trans	-80.7	98.6	176.3	-65	160.6	0	0	0	108.6	L104	L104-I108 HydrophobicContact CB-CD1 4.4Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.8Å
109	E	86.8	Confident	88.6	Confident	172 Å²	172	108.2 Å²	108.2	80%	0.804	57%	0.572	S	S	*	*			trans	-59.8	148.2	168.4	-171.7	173.8	-169	0	0	110.9	Q107 T111	Q107-E109 PolarHBondContact O-N 3.21Å; E109-T111 PolarHBondContact O-N 3.04Å
110	K	86.4	Confident	88.9	Confident	192 Å²	192	114.5 Å²	114.5	84%	0.835	60%	0.601	S	S	*	*			trans	-65.9	108.9	176.9	-68.3	173.3	177.7	168.1	0	109.4	T112	K110-T112 PolarHBondContact O-N 2.68Å
111	T	84.6	Confident	89	Confident	118 Å²	118	113.1 Å²	113.1	72%	0.724	60%	0.602	S	S	*	*			trans	-52.1	129.9	178	-177	0	0	0	0	111.8	E109 N113	E109-T111 PolarHBondContact O-N 3.04Å; T111-N113 VanDerWaalsContact C-N 3.3Å; T111-N113 PolarHBondContact OG1-N 3.25Å
112	T	86.1	Confident	89.2	Confident	120 Å²	120	110.4 Å²	110.4	74%	0.736	60%	0.596	S	S	*	*			trans	-82.8	-10.3	178	52.2	0	0	0	0	112.5	K110 R114	K110-T112 PolarHBondContact O-N 2.68Å; T112-R114 PolarHBondContact O-N 2.66Å
113	N	85.3	Confident	89.2	Confident	71 Å²	71	108.2 Å²	108.2	38%	0.38	59%	0.588	S	S	.	*			trans	-72.4	108.4	179.7	-168.6	-50.3	0	0	0	110.9	T111 E115	T111-N113 VanDerWaalsContact C-N 3.3Å; T111-N113 PolarHBondContact OG1-N 3.25Å; N113-E115 VanDerWaalsContact ND2-CD 3.34Å; N113-E115 PolarHBondContact ND2-OE1 2.93Å; N113-E115 WeakPolarHBondContact OD1-CB 3.48Å; N113-E115 VanDerWaalsContact OD1-CG 3.27Å; N113-E115 WeakPolarHBondContact OD1-CG 3.19Å; N113-E115 PolarHBondContact OD1-N 2.7Å; N113-E115 PolarHBondContact OD1-OE1 3.18Å
114	R	88.3	Confident	89.4	Confident	183 Å²	183	111.4 Å²	111.4	69%	0.691	59%	0.587	S	S	*	*			trans	-96.3	0.4	178.7	-66.2	177.3	173.6	108.8	-8	113.8	T112 A116 C117 L125	T112-R114 PolarHBondContact O-N 2.66Å; R114-A116 PolarHBondContact O-N 3.37Å; R114-C117 WeakPolarHBondContact O-CB 3.22Å; R114-C117 PolarHBondContact O-N 3.37Å; R114-L125 HydrophobicContact CB-CD2 4.43Å
115	E	89.6	Confident	89.5	Confident	61 Å²	61	110.8 Å²	110.8	29%	0.285	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-31.8	-176.8	-61.9	164.4	-142.6	0	0	113.3	N113 C117 L125 R126	N113-E115 VanDerWaalsContact ND2-CD 3.34Å; N113-E115 PolarHBondContact ND2-OE1 2.93Å; N113-E115 WeakPolarHBondContact OD1-CB 3.48Å; N113-E115 VanDerWaalsContact OD1-CG 3.27Å; N113-E115 WeakPolarHBondContact OD1-CG 3.19Å; N113-E115 PolarHBondContact OD1-N 2.7Å; N113-E115 PolarHBondContact OD1-OE1 3.18Å; E115-C117 PolarHBondContact O-N 3.07Å; E115-L125 PolarHBondContact O-N 2.95Å; E115-R126 HydrophobicContact CB-CB 4Å; E115-R126 PolarHBondContact O-N 2.86Å; E115-R126 IonicContact OE2-CZ 3.28Å; E115-R126 IonicContact OE2-NE 3.81Å; E115-R126 PolarHBondContact OE2-NE 3.46Å; E115-R126 IonicContact OE2-NH2 2.62Å; E115-R126 PolarHBondContact OE2-NH2 3.19Å
116	A	90.3	Very high	89.7	Confident	70 Å²	70	113.4 Å²	113.4	58%	0.579	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-15.1	179.7	0	0	0	0	0	113.2	R114	R114-A116 PolarHBondContact O-N 3.37Å
117	C	91.2	Very high	90.2	Very high	68 Å²	68	112.9 Å²	112.9	46%	0.459	56%	0.564	S	S	.	*	S	Bend	trans	-65.8	159.4	172.3	-61.1	0	0	0	0	110.8	R114 E115 R124 L125	R114-C117 WeakPolarHBondContact O-CB 3.22Å; R114-C117 PolarHBondContact O-N 3.37Å; E115-C117 PolarHBondContact O-N 3.07Å; C117-R124 WeakPolarHBondContact O-CA 3.41Å; C117-L125 HydrophobicContact CB-CD1 4.23Å; C117-L125 PolarHBondContact O-N 3.07Å
118	R	94.9	Very high	90.7	Very high	172 Å²	172	107.1 Å²	107.1	65%	0.649	54%	0.539	S	S	*	.	B	Isolated β-bridge	trans	-103.7	151.5	170.3	-76.5	179.3	144.2	127.9	-3	110.9	G122 R123 R124	R118-G122 PolarHBondContact NE-O 3.17Å; R118-R123 CarbonylContact C-O 3.55Å; R118-R123 WeakPolarHBondContact CA-O 3.47Å; R118-R123 WeakPolarHBondContact CB-O 3.43Å; R118-R124 HydrophobicContact CG-CG 4.21Å
119	D	92	Very high	90.9	Very high	61 Å²	61	104.4 Å²	104.4	33%	0.326	53%	0.526	S	S	.	.			trans	-82.5	-177	166.7	77	-21.5	0	0	0	111.1	S121 G122 R123 L125	D119-S121 VanDerWaalsContact CG-N 3.33Å; D119-S121 PolarHBondContact O-N 3.33Å; D119-S121 WeakPolarHBondContact OD1-CA 3.42Å; D119-S121 PolarHBondContact OD1-N 2.87Å; D119-S121 PolarHBondContact OD1-OG 3.16Å; D119-S121 WeakPolarHBondContact OD2-CB 3.47Å; D119-S121 PolarHBondContact OD2-N 3.05Å; D119-S121 PolarHBondContact OD2-OG 3.46Å; D119-G122 PolarHBondContact O-N 3.03Å; D119-G122 PolarHBondContact OD1-N 2.78Å; D119-R123 PolarHBondContact N-O 2.85Å; D119-R123 PolarHBondContact OD1-N 3.24Å; D119-R123 VanDerWaalsContact OD1-O 3.1Å; D119-L125 HydrophobicContact CB-CD1 4.35Å
120	L	93.7	Very high	91.3	Very high	193 Å²	193	100.7 Å²	100.7	100%	1.01	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.3	176.1	-62.5	176.4	0	0	0	113.6
121	S	89.7	Confident	91.7	Very high	83 Å²	83	96.7 Å²	96.7	58%	0.58	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.9	172	81	0	0	0	0	113.5	D119	D119-S121 VanDerWaalsContact CG-N 3.33Å; D119-S121 PolarHBondContact O-N 3.33Å; D119-S121 WeakPolarHBondContact OD1-CA 3.42Å; D119-S121 PolarHBondContact OD1-N 2.87Å; D119-S121 PolarHBondContact OD1-OG 3.16Å; D119-S121 WeakPolarHBondContact OD2-CB 3.47Å; D119-S121 PolarHBondContact OD2-N 3.05Å; D119-S121 PolarHBondContact OD2-OG 3.46Å
122	G	93.6	Very high	92.3	Very high	35 Å²	35	96.8 Å²	96.8	36%	0.361	48%	0.483	S	S	.	.	S	Bend	trans	87.5	0.3	-178	0	0	0	0	0	114.8	R118 D119	R118-G122 PolarHBondContact NE-O 3.17Å; D119-G122 PolarHBondContact O-N 3.03Å; D119-G122 PolarHBondContact OD1-N 2.78Å
123	R	92.4	Very high	92.7	Very high	129 Å²	129	96.6 Å²	96.6	49%	0.487	47%	0.474	S	S	.	.			trans	-70.3	156.5	167.9	-68.6	-173.9	176.1	-149.7	1.6	109.9	R118 D119 V128 E131	R118-R123 CarbonylContact C-O 3.55Å; R118-R123 WeakPolarHBondContact CA-O 3.47Å; R118-R123 WeakPolarHBondContact CB-O 3.43Å; D119-R123 PolarHBondContact N-O 2.85Å; D119-R123 PolarHBondContact OD1-N 3.24Å; D119-R123 VanDerWaalsContact OD1-O 3.1Å; R123-V128 HydrophobicContact CB-CG2 4Å; R123-E131 IonicContact NH1-OE1 2.7Å; R123-E131 PolarHBondContact NH1-OE1 2.75Å; R123-E131 VanDerWaalsContact NH1-OE1 3.16Å; R123-E131 IonicContact NH1-OE2 3.2Å; R123-E131 PolarHBondContact NH1-OE2 2.83Å
124	R	94.5	Very high	93.2	Very high	126 Å²	126	98.6 Å²	98.6	48%	0.475	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-86.3	149.2	171.8	-70	173.1	163.5	157.5	-5.4	110.6	C117 R118 R126 D127 V128	C117-R124 WeakPolarHBondContact O-CA 3.41Å; R118-R124 HydrophobicContact CG-CG 4.21Å; R124-R126 PolarHBondContact O-N 3.11Å; R124-D127 WeakPolarHBondContact CB-OD2 3.4Å; R124-D127 PolarHBondContact O-N 3.32Å; R124-D127 VanDerWaalsContact O-N 3.13Å; R124-V128 PolarHBondContact O-N 3.37Å
125	L	92.5	Very high	93.5	Very high	56 Å²	56	92.6 Å²	92.6	29%	0.293	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-31.5	176.2	-90.2	67.8	0	0	0	112	R114 E115 C117 D119 N129	R114-L125 HydrophobicContact CB-CD2 4.43Å; E115-L125 PolarHBondContact O-N 2.95Å; C117-L125 HydrophobicContact CB-CD1 4.23Å; C117-L125 PolarHBondContact O-N 3.07Å; D119-L125 HydrophobicContact CB-CD1 4.35Å; L125-N129 WeakPolarHBondContact O-CB 3.23Å; L125-N129 VanDerWaalsContact O-CG 3.32Å; L125-N129 PolarHBondContact O-N 3.31Å; L125-N129 PolarHBondContact O-OD1 3.03Å
126	R	95.3	Very high	93.8	Very high	102 Å²	102	94.3 Å²	94.3	39%	0.385	48%	0.483	S	S	.	.	H	α-helix	trans	-53.2	-54.4	170.7	-172.3	167.9	-68.8	151.6	2.3	112.4	E115 R124 V128 N129 H130	E115-R126 HydrophobicContact CB-CB 4Å; E115-R126 PolarHBondContact O-N 2.86Å; E115-R126 IonicContact OE2-CZ 3.28Å; E115-R126 IonicContact OE2-NE 3.81Å; E115-R126 PolarHBondContact OE2-NE 3.46Å; E115-R126 IonicContact OE2-NH2 2.62Å; E115-R126 PolarHBondContact OE2-NH2 3.19Å; R124-R126 PolarHBondContact O-N 3.11Å; R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 PolarHBondContact O-N 3.13Å; R126-N129 PolarHBondContact O-N 3.28Å; R126-H130 WeakPolarHBondContact CG-CE1 3.33Å; R126-H130 PolarHBondContact O-N 3.42Å
127	D	95.1	Very high	94	Very high	79 Å²	79	97.6 Å²	97.6	42%	0.422	48%	0.481	S	S	.	.	H	α-helix	trans	-65.5	-41.4	-171.6	-45.9	-29.1	0	0	0	109.6	R124 E131	R124-D127 WeakPolarHBondContact CB-OD2 3.4Å; R124-D127 PolarHBondContact O-N 3.32Å; R124-D127 VanDerWaalsContact O-N 3.13Å; D127-E131 VanDerWaalsContact O-CB 3.28Å; D127-E131 WeakPolarHBondContact O-CB 3.47Å; D127-E131 PolarHBondContact O-N 2.85Å
128	V	93.8	Very high	94.1	Very high	33 Å²	33	99.3 Å²	99.3	20%	0.2	48%	0.484	C	S	.	.	H	α-helix	trans	-67.2	-34.2	176	176.3	0	0	0	0	112.7	R123 R124 R126 K132	R123-V128 HydrophobicContact CB-CG2 4Å; R124-V128 PolarHBondContact O-N 3.37Å; R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 PolarHBondContact O-N 3.13Å; V128-K132 VanDerWaalsContact O-CG 3.32Å; V128-K132 WeakPolarHBondContact O-CG 3.48Å; V128-K132 PolarHBondContact O-N 3.33Å
129	N	93.2	Very high	94	Very high	68 Å²	68	98.4 Å²	98.4	36%	0.364	49%	0.485	S	S	.	.	H	α-helix	trans	-71.2	-47.4	175.1	-78.8	7.3	0	0	0	111.3	L125 R126 E131 K132 E133	L125-N129 WeakPolarHBondContact O-CB 3.23Å; L125-N129 VanDerWaalsContact O-CG 3.32Å; L125-N129 PolarHBondContact O-N 3.31Å; L125-N129 PolarHBondContact O-OD1 3.03Å; R126-N129 PolarHBondContact O-N 3.28Å; N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 3.28Å; N129-K132 WeakPolarHBondContact O-CB 3.38Å; N129-K132 PolarHBondContact O-N 3.46Å; N129-K132 VanDerWaalsContact O-N 3.12Å; N129-E133 WeakPolarHBondContact O-CG 3.18Å; N129-E133 PolarHBondContact O-N 3.05Å
130	H	95.7	Very high	94.1	Very high	95 Å²	95	100.5 Å²	100.5	44%	0.44	49%	0.492	S	S	.	.	H	α-helix	trans	-60.8	-38.5	175.5	-62.4	168	0	0	0	112.1	R126 K132 E133 M134	R126-H130 WeakPolarHBondContact CG-CE1 3.33Å; R126-H130 PolarHBondContact O-N 3.42Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.26Å; H130-E133 IonicContact CD2-OE2 2.96Å; H130-E133 PolarHBondContact O-N 3.41Å; H130-M134 WeakPolarHBondContact O-CB 3.26Å; H130-M134 VanDerWaalsContact O-CG 3.28Å; H130-M134 WeakPolarHBondContact O-CG 3.33Å; H130-M134 PolarHBondContact O-N 3.42Å
131	E	95	Very high	94	Very high	107 Å²	107	93.6 Å²	93.6	50%	0.5	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-38.7	175.5	-171.2	171.6	-162.3	0	0	111.5	R123 D127 N129 A135	R123-E131 IonicContact NH1-OE1 2.7Å; R123-E131 PolarHBondContact NH1-OE1 2.75Å; R123-E131 VanDerWaalsContact NH1-OE1 3.16Å; R123-E131 IonicContact NH1-OE2 3.2Å; R123-E131 PolarHBondContact NH1-OE2 2.83Å; D127-E131 VanDerWaalsContact O-CB 3.28Å; D127-E131 WeakPolarHBondContact O-CB 3.47Å; D127-E131 PolarHBondContact O-N 2.85Å; N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 3.28Å; E131-A135 WeakPolarHBondContact O-CB 3.5Å; E131-A135 PolarHBondContact O-N 2.78Å; E131-A135 VanDerWaalsContact O-N 3.1Å
132	K	95.5	Very high	93.8	Very high	120 Å²	120	93.3 Å²	93.3	52%	0.522	45%	0.452	S	S	.	.	H	α-helix	trans	-70.9	-47.9	172.8	-71.2	168.4	-178.2	175.7	0	112.9	V128 N129 H130 M134 A135 D136	V128-K132 VanDerWaalsContact O-CG 3.32Å; V128-K132 WeakPolarHBondContact O-CG 3.48Å; V128-K132 PolarHBondContact O-N 3.33Å; N129-K132 WeakPolarHBondContact O-CB 3.38Å; N129-K132 PolarHBondContact O-N 3.46Å; N129-K132 VanDerWaalsContact O-N 3.12Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.26Å; K132-M134 VanDerWaalsContact C-N 3.26Å; K132-M134 PolarHBondContact O-N 2.82Å; K132-A135 CarbonylContact O-C 3.6Å; K132-A135 PolarHBondContact O-N 3.11Å; K132-D136 WeakPolarHBondContact O-CB 3.38Å; K132-D136 PolarHBondContact O-N 3.26Å
133	E	95.9	Very high	93.5	Very high	117 Å²	117	96.7 Å²	96.7	55%	0.547	46%	0.459	S	S	.	.	H	α-helix	trans	-57.8	-40.5	179.4	-72.9	162.1	-162.8	0	0	111.3	N129 H130 W137	N129-E133 WeakPolarHBondContact O-CG 3.18Å; N129-E133 PolarHBondContact O-N 3.05Å; H130-E133 IonicContact CD2-OE2 2.96Å; H130-E133 PolarHBondContact O-N 3.41Å; E133-W137 VanDerWaalsContact O-CB 3.29Å; E133-W137 WeakPolarHBondContact O-CB 3.31Å; E133-W137 PolarHBondContact O-N 2.88Å
134	M	94.8	Very high	93.4	Very high	112 Å²	112	93.6 Å²	93.6	55%	0.552	45%	0.447	S	S	*	.	H	α-helix	trans	-65.2	-46.6	171.6	-72.4	-62.2	-59.2	0	0	112.1	H130 K132 D136 W137 L138	H130-M134 WeakPolarHBondContact O-CB 3.26Å; H130-M134 VanDerWaalsContact O-CG 3.28Å; H130-M134 WeakPolarHBondContact O-CG 3.33Å; H130-M134 PolarHBondContact O-N 3.42Å; K132-M134 VanDerWaalsContact C-N 3.26Å; K132-M134 PolarHBondContact O-N 2.82Å; M134-D136 PolarHBondContact O-N 3.28Å; M134-W137 PolarHBondContact O-N 2.9Å; M134-L138 HydrophobicContact CE-CD1 4.18Å; M134-L138 WeakPolarHBondContact O-CD1 3.49Å; M134-L138 PolarHBondContact O-N 3.23Å
135	A	95.4	Very high	93.1	Very high	57 Å²	57	93.1 Å²	93.1	47%	0.471	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-42.3	178.7	0	0	0	0	0	112.7	E131 K132 L138 K139	E131-A135 WeakPolarHBondContact O-CB 3.5Å; E131-A135 PolarHBondContact O-N 2.78Å; E131-A135 VanDerWaalsContact O-N 3.1Å; K132-A135 CarbonylContact O-C 3.6Å; K132-A135 PolarHBondContact O-N 3.11Å; A135-L138 PolarHBondContact O-N 3.29Å; A135-K139 VanDerWaalsContact O-CB 3.3Å; A135-K139 WeakPolarHBondContact O-CB 3.25Å; A135-K139 PolarHBondContact O-N 3.06Å
136	D	94.4	Very high	93.1	Very high	97 Å²	97	92.2 Å²	92.2	52%	0.519	45%	0.451	S	S	.	.	H	α-helix	trans	-69.2	-35.9	175.9	-76.5	-37.2	0	0	0	111.7	K132 M134 K139 K140	K132-D136 WeakPolarHBondContact O-CB 3.38Å; K132-D136 PolarHBondContact O-N 3.26Å; M134-D136 PolarHBondContact O-N 3.28Å; D136-K139 PolarHBondContact O-N 3.41Å; D136-K140 WeakPolarHBondContact O-CB 3.36Å; D136-K140 PolarHBondContact O-N 3.18Å
137	W	94.6	Very high	92.9	Very high	140 Å²	140	93.4 Å²	93.4	53%	0.53	46%	0.461	S	S	.	.	H	α-helix	trans	-64.4	-43.8	172.6	-174.3	95.4	0	0	0	112.2	E133 M134 K140 Q141 R144	E133-W137 VanDerWaalsContact O-CB 3.29Å; E133-W137 WeakPolarHBondContact O-CB 3.31Å; E133-W137 PolarHBondContact O-N 2.88Å; M134-W137 PolarHBondContact O-N 2.9Å; W137-K140 CarbonylContact O-C 3.6Å; W137-K140 PolarHBondContact O-N 3.44Å; W137-Q141 HydrophobicContact CE3-CG 4.24Å; W137-Q141 HydrophobicContact CZ3-CG 4.24Å; W137-Q141 PolarHBondContact O-N 2.62Å; W137-R144 PolarHBondContact O-NH2 3.39Å
138	L	94	Very high	92.7	Very high	103 Å²	103	96.6 Å²	96.6	54%	0.539	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-48.4	173.6	-92.6	86.4	0	0	0	111	M134 A135 K140 Q141	M134-L138 HydrophobicContact CE-CD1 4.18Å; M134-L138 WeakPolarHBondContact O-CD1 3.49Å; M134-L138 PolarHBondContact O-N 3.23Å; A135-L138 PolarHBondContact O-N 3.29Å; L138-K140 PolarHBondContact O-N 3.38Å; L138-Q141 WeakPolarHBondContact O-CB 3.42Å; L138-Q141 PolarHBondContact O-N 3.27Å
139	K	92.3	Very high	92.5	Very high	153 Å²	153	101 Å²	101	67%	0.665	49%	0.489	S	S	*	.	H	α-helix	trans	-58.2	-34.9	175.7	-177.3	-177.9	174.4	-171.3	0	112.1	A135 D136 Q141 S142	A135-K139 VanDerWaalsContact O-CB 3.3Å; A135-K139 WeakPolarHBondContact O-CB 3.25Å; A135-K139 PolarHBondContact O-N 3.06Å; D136-K139 PolarHBondContact O-N 3.41Å; K139-Q141 VanDerWaalsContact C-N 3.3Å; K139-Q141 PolarHBondContact O-N 3.42Å; K139-S142 PolarHBondContact O-OG 3.06Å
140	K	94	Very high	92.4	Very high	106 Å²	106	104.1 Å²	104.1	46%	0.461	50%	0.501	S	S	.	.	H	α-helix	trans	-79.1	-3.6	175.5	-169.4	146.7	-172.8	123.8	0	113.7	D136 W137 L138 E143 R144	D136-K140 WeakPolarHBondContact O-CB 3.36Å; D136-K140 PolarHBondContact O-N 3.18Å; W137-K140 CarbonylContact O-C 3.6Å; W137-K140 PolarHBondContact O-N 3.44Å; L138-K140 PolarHBondContact O-N 3.38Å; K140-E143 WeakPolarHBondContact CD-OE2 3.4Å; K140-E143 WeakPolarHBondContact CE-OE2 3.3Å; K140-E143 HydrophobicContact CG-CB 4.5Å; K140-E143 WeakPolarHBondContact CG-OE2 3.28Å; K140-E143 IonicContact NZ-OE2 3.22Å; K140-E143 PolarHBondContact NZ-OE2 2.9Å; K140-R144 HydrophobicContact CG-CG 4.27Å; K140-R144 WeakPolarHBondContact O-CB 3.41Å; K140-R144 VanDerWaalsContact O-CG 3.31Å; K140-R144 WeakPolarHBondContact O-CG 3.32Å; K140-R144 PolarHBondContact O-N 3.39Å; K140-R144 VanDerWaalsContact O-N 3.15Å; K140-R144 PolarHBondContact O-NE 3.26Å
141	Q	91.6	Very high	92.3	Very high	47 Å²	47	106.1 Å²	106.1	22%	0.22	51%	0.505	C	S	.	.	H	α-helix	trans	-68.8	-51.8	171.8	-70.5	-66.5	11.8	0	0	111.1	W137 L138 K139 E143 R144 E145	W137-Q141 HydrophobicContact CE3-CG 4.24Å; W137-Q141 HydrophobicContact CZ3-CG 4.24Å; W137-Q141 PolarHBondContact O-N 2.62Å; L138-Q141 WeakPolarHBondContact O-CB 3.42Å; L138-Q141 PolarHBondContact O-N 3.27Å; K139-Q141 VanDerWaalsContact C-N 3.3Å; K139-Q141 PolarHBondContact O-N 3.42Å; Q141-E143 VanDerWaalsContact C-N 3.26Å; Q141-E143 PolarHBondContact O-N 3.02Å; Q141-R144 VanDerWaalsContact CD-CZ 3.48Å; Q141-R144 CarbonylContact O-C 3.6Å; Q141-R144 WeakPolarHBondContact O-CA 3.29Å; Q141-R144 PolarHBondContact O-N 2.87Å; Q141-E145 WeakPolarHBondContact O-CB 3.33Å; Q141-E145 WeakPolarHBondContact O-CG 3.37Å; Q141-E145 PolarHBondContact O-N 3.36Å
142	S	86.8	Confident	92.2	Very high	77 Å²	77	109.9 Å²	109.9	54%	0.538	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-31.9	179.1	55.4	0	0	0	0	112.9	K139 A146	K139-S142 PolarHBondContact O-OG 3.06Å; S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 2.86Å
143	E	87.9	Confident	92	Very high	107 Å²	107	108.9 Å²	108.9	50%	0.5	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-47.7	169.5	-175.2	177.9	-123.9	0	0	111.7	K140 Q141 A146 E147	K140-E143 WeakPolarHBondContact CD-OE2 3.4Å; K140-E143 WeakPolarHBondContact CE-OE2 3.3Å; K140-E143 HydrophobicContact CG-CB 4.5Å; K140-E143 WeakPolarHBondContact CG-OE2 3.28Å; K140-E143 IonicContact NZ-OE2 3.22Å; K140-E143 PolarHBondContact NZ-OE2 2.9Å; Q141-E143 VanDerWaalsContact C-N 3.26Å; Q141-E143 PolarHBondContact O-N 3.02Å; E143-A146 PolarHBondContact O-N 3.47Å; E143-E147 WeakPolarHBondContact O-CB 3.43Å; E143-E147 PolarHBondContact O-N 3.26Å
144	R	90	Very high	91.7	Very high	64 Å²	64	109.1 Å²	109.1	24%	0.242	52%	0.516	C	S	.	.	H	α-helix	trans	-69.2	-31.4	178	-76.6	175.1	-75.5	159.7	-9	113.4	W137 K140 Q141 K148	W137-R144 PolarHBondContact O-NH2 3.39Å; K140-R144 HydrophobicContact CG-CG 4.27Å; K140-R144 WeakPolarHBondContact O-CB 3.41Å; K140-R144 VanDerWaalsContact O-CG 3.31Å; K140-R144 WeakPolarHBondContact O-CG 3.32Å; K140-R144 PolarHBondContact O-N 3.39Å; K140-R144 VanDerWaalsContact O-N 3.15Å; K140-R144 PolarHBondContact O-NE 3.26Å; Q141-R144 VanDerWaalsContact CD-CZ 3.48Å; Q141-R144 CarbonylContact O-C 3.6Å; Q141-R144 WeakPolarHBondContact O-CA 3.29Å; Q141-R144 PolarHBondContact O-N 2.87Å; R144-K148 WeakPolarHBondContact O-CB 3.19Å; R144-K148 WeakPolarHBondContact O-CD 3.37Å; R144-K148 WeakPolarHBondContact O-CG 3.42Å; R144-K148 PolarHBondContact O-N 3.39Å
145	E	88.2	Confident	91.5	Very high	115 Å²	115	109.5 Å²	109.5	54%	0.537	51%	0.511	S	S	.	.	H	α-helix	trans	-72.9	-45.5	175.7	-73.4	165.9	174.2	0	0	110.3	Q141 E147 K148 E149	Q141-E145 WeakPolarHBondContact O-CB 3.33Å; Q141-E145 WeakPolarHBondContact O-CG 3.37Å; Q141-E145 PolarHBondContact O-N 3.36Å; E145-E147 PolarHBondContact O-N 2.79Å; E145-K148 PolarHBondContact O-N 3.1Å; E145-E149 WeakPolarHBondContact O-CB 3.5Å; E145-E149 PolarHBondContact O-N 2.8Å
146	A	91.1	Very high	91.2	Very high	38 Å²	38	111.1 Å²	111.1	31%	0.314	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-38.1	172.8	0	0	0	0	0	112.6	S142 E143 E149 Q150	S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 2.86Å; E143-A146 PolarHBondContact O-N 3.47Å; A146-E149 PolarHBondContact O-N 3.4Å; A146-Q150 VanDerWaalsContact O-CB 3.31Å; A146-Q150 WeakPolarHBondContact O-CB 3.42Å; A146-Q150 WeakPolarHBondContact O-CG 3.3Å; A146-Q150 PolarHBondContact O-N 3.48Å
147	E	91.3	Very high	90.8	Very high	127 Å²	127	113.2 Å²	113.2	59%	0.593	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-45.8	173.7	-176.7	-176.1	-166.1	0	0	111.5	E143 E145 E149 R151	E143-E147 WeakPolarHBondContact O-CB 3.43Å; E143-E147 PolarHBondContact O-N 3.26Å; E145-E147 PolarHBondContact O-N 2.79Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.15Å; E147-R151 WeakPolarHBondContact O-CB 3.31Å; E147-R151 PolarHBondContact O-N 2.8Å
148	K	92.1	Very high	90.4	Very high	146 Å²	146	115.6 Å²	115.6	64%	0.635	53%	0.527	S	S	*	.	H	α-helix	trans	-61.6	-42.1	174.4	-75.9	168.5	-179.3	-179.2	0	112	R144 E145 R151 R152	R144-K148 WeakPolarHBondContact O-CB 3.19Å; R144-K148 WeakPolarHBondContact O-CD 3.37Å; R144-K148 WeakPolarHBondContact O-CG 3.42Å; R144-K148 PolarHBondContact O-N 3.39Å; E145-K148 PolarHBondContact O-N 3.1Å; K148-R151 PolarHBondContact O-N 3.44Å; K148-R152 WeakPolarHBondContact O-CB 3.39Å; K148-R152 PolarHBondContact O-N 2.92Å
149	E	89.3	Confident	90	Very high	125 Å²	125	119.2 Å²	119.2	58%	0.584	54%	0.538	S	S	*	.	H	α-helix	trans	-68.8	-44.5	179.3	-174.9	166.1	-141.6	0	0	111.5	E145 A146 E147 R151 R152 L153	E145-E149 WeakPolarHBondContact O-CB 3.5Å; E145-E149 PolarHBondContact O-N 2.8Å; A146-E149 PolarHBondContact O-N 3.4Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.15Å; E149-R151 PolarHBondContact O-N 2.88Å; E149-R152 CarbonylContact O-C 3.56Å; E149-R152 WeakPolarHBondContact O-CA 3.34Å; E149-R152 WeakPolarHBondContact O-CB 3.31Å; E149-R152 PolarHBondContact O-N 3.22Å; E149-R152 VanDerWaalsContact O-N 3.1Å; E149-L153 HydrophobicContact CG-CD1 4.08Å; E149-L153 HydrophobicContact CG-CG 4.4Å; E149-L153 WeakPolarHBondContact O-CB 3.43Å; E149-L153 WeakPolarHBondContact O-CG 3.32Å; E149-L153 PolarHBondContact O-N 2.6Å
150	Q	91.3	Very high	89.6	Confident	133 Å²	133	118.1 Å²	118.1	62%	0.621	54%	0.539	S	S	*	.	H	α-helix	trans	-58.1	-45.9	172	-74.3	171.6	36.5	0	0	111.3	A146 R152 L153 E154	A146-Q150 VanDerWaalsContact O-CB 3.31Å; A146-Q150 WeakPolarHBondContact O-CB 3.42Å; A146-Q150 WeakPolarHBondContact O-CG 3.3Å; A146-Q150 PolarHBondContact O-N 3.48Å; Q150-R152 VanDerWaalsContact C-N 3.3Å; Q150-R152 PolarHBondContact O-N 3.02Å; Q150-L153 PolarHBondContact O-N 3.49Å; Q150-E154 WeakPolarHBondContact O-CB 3.2Å; Q150-E154 PolarHBondContact O-N 3Å
151	R	92.6	Very high	89	Confident	137 Å²	137	116.3 Å²	116.3	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-64.9	-31.4	175.4	-168.8	178.5	-175.6	-123.4	7.9	112.5	E147 K148 E149 R155	E147-R151 WeakPolarHBondContact O-CB 3.31Å; E147-R151 PolarHBondContact O-N 2.8Å; K148-R151 PolarHBondContact O-N 3.44Å; E149-R151 PolarHBondContact O-N 2.88Å; R151-R155 VanDerWaalsContact O-CB 3.26Å; R151-R155 WeakPolarHBondContact O-CB 3.5Å; R151-R155 WeakPolarHBondContact O-CD 3.2Å; R151-R155 WeakPolarHBondContact O-CG 3.48Å; R151-R155 PolarHBondContact O-N 2.84Å
152	R	92.6	Very high	88.5	Confident	187 Å²	187	121.9 Å²	121.9	71%	0.706	57%	0.566	S	S	*	*	H	α-helix	trans	-70.5	-43.9	173.4	-172.3	-179.4	-173.4	176.2	3.7	111.1	K148 E149 Q150 R155 L156	K148-R152 WeakPolarHBondContact O-CB 3.39Å; K148-R152 PolarHBondContact O-N 2.92Å; E149-R152 CarbonylContact O-C 3.56Å; E149-R152 WeakPolarHBondContact O-CA 3.34Å; E149-R152 WeakPolarHBondContact O-CB 3.31Å; E149-R152 PolarHBondContact O-N 3.22Å; E149-R152 VanDerWaalsContact O-N 3.1Å; Q150-R152 VanDerWaalsContact C-N 3.3Å; Q150-R152 PolarHBondContact O-N 3.02Å; R152-R155 PolarHBondContact O-N 3.41Å; R152-L156 VanDerWaalsContact O-CB 3.29Å; R152-L156 WeakPolarHBondContact O-CB 3.12Å; R152-L156 PolarHBondContact O-N 3.29Å
153	L	91.8	Very high	87.7	Confident	98 Å²	98	124.2 Å²	124.2	51%	0.513	58%	0.579	S	S	.	*	H	α-helix	trans	-66.5	-42.2	176.8	-71.1	170.8	0	0	0	111.6	E149 Q150 L156 Q157	E149-L153 HydrophobicContact CG-CD1 4.08Å; E149-L153 HydrophobicContact CG-CG 4.4Å; E149-L153 WeakPolarHBondContact O-CB 3.43Å; E149-L153 WeakPolarHBondContact O-CG 3.32Å; E149-L153 PolarHBondContact O-N 2.6Å; Q150-L153 PolarHBondContact O-N 3.49Å; L153-L156 PolarHBondContact O-N 3.07Å; L153-Q157 VanDerWaalsContact O-CB 3.25Å; L153-Q157 WeakPolarHBondContact O-CB 3.33Å; L153-Q157 PolarHBondContact O-N 2.82Å
154	E	91.1	Very high	86.6	Confident	122 Å²	122	129 Å²	129	57%	0.57	59%	0.593	S	S	*	*	H	α-helix	trans	-61.8	-48.6	173.2	-170.5	-155	167.9	0	0	110.9	Q150 L156 Q157 R158	Q150-E154 WeakPolarHBondContact O-CB 3.2Å; Q150-E154 PolarHBondContact O-N 3Å; E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.47Å; E154-Q157 PolarHBondContact O-N 3.47Å; E154-R158 WeakPolarHBondContact O-CB 3.39Å; E154-R158 PolarHBondContact O-N 2.87Å
155	R	89.9	Confident	85.5	Confident	120 Å²	120	134.2 Å²	134.2	45%	0.453	62%	0.62	S	S	.	*	H	α-helix	trans	-58	-38.2	174.3	-80.4	173.4	163.4	-153.2	-6.4	112.1	R151 R152 K159	R151-R155 VanDerWaalsContact O-CB 3.26Å; R151-R155 WeakPolarHBondContact O-CB 3.5Å; R151-R155 WeakPolarHBondContact O-CD 3.2Å; R151-R155 WeakPolarHBondContact O-CG 3.48Å; R151-R155 PolarHBondContact O-N 2.84Å; R152-R155 PolarHBondContact O-N 3.41Å; R155-K159 WeakPolarHBondContact O-CG 3.32Å; R155-K159 PolarHBondContact O-N 3.15Å
156	L	88.1	Confident	84.5	Confident	92 Å²	92	135.4 Å²	135.4	48%	0.482	63%	0.625	S	S	.	*	H	α-helix	trans	-72	-44.8	177.3	-178.4	62.5	0	0	0	111.5	R152 L153 E154 R158 K159 L160	R152-L156 VanDerWaalsContact O-CB 3.29Å; R152-L156 WeakPolarHBondContact O-CB 3.12Å; R152-L156 PolarHBondContact O-N 3.29Å; L153-L156 PolarHBondContact O-N 3.07Å; E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.47Å; L156-R158 VanDerWaalsContact C-N 3.31Å; L156-R158 PolarHBondContact O-N 2.79Å; L156-K159 CarbonylContact O-C 3.57Å; L156-K159 WeakPolarHBondContact O-CA 3.19Å; L156-K159 WeakPolarHBondContact O-CB 3.49Å; L156-K159 PolarHBondContact O-N 2.8Å; L156-L160 HydrophobicContact CD1-CD1 4.42Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 PolarHBondContact O-N 2.88Å
157	Q	87.6	Confident	83.4	Confident	141 Å²	141	140 Å²	140	66%	0.659	64%	0.638	S	S	*	*	H	α-helix	trans	-61.7	-39.2	176.6	-172.4	176.2	6.3	0	0	111.3	L153 E154 K159 L160 S161	L153-Q157 VanDerWaalsContact O-CB 3.25Å; L153-Q157 WeakPolarHBondContact O-CB 3.33Å; L153-Q157 PolarHBondContact O-N 2.82Å; E154-Q157 PolarHBondContact O-N 3.47Å; Q157-K159 VanDerWaalsContact C-N 3.27Å; Q157-K159 PolarHBondContact O-N 3.28Å; Q157-L160 PolarHBondContact O-N 2.9Å; Q157-S161 WeakPolarHBondContact O-CB 3.48Å; Q157-S161 PolarHBondContact O-N 3.5Å; Q157-S161 PolarHBondContact O-OG 2.7Å
158	R	86.3	Confident	82.4	Confident	190 Å²	190	137 Å²	137	72%	0.717	64%	0.635	S	S	*	*	H	α-helix	trans	-69.5	-20	173.8	-156.5	-170.8	80.8	-177.5	7.1	113.7	E154 L156 S161	E154-R158 WeakPolarHBondContact O-CB 3.39Å; E154-R158 PolarHBondContact O-N 2.87Å; L156-R158 VanDerWaalsContact C-N 3.31Å; L156-R158 PolarHBondContact O-N 2.79Å; R158-S161 WeakPolarHBondContact CA-OG 3.39Å; R158-S161 PolarHBondContact O-OG 3.01Å
159	K	83.8	Confident	82	Confident	178 Å²	178	133 Å²	133	77%	0.774	62%	0.62	S	S	*	*	H	α-helix	trans	-88.1	-31.6	170.7	-75.6	-179.2	176.5	-172.4	0	112.2	R155 L156 Q157	R155-K159 WeakPolarHBondContact O-CG 3.32Å; R155-K159 PolarHBondContact O-N 3.15Å; L156-K159 CarbonylContact O-C 3.57Å; L156-K159 WeakPolarHBondContact O-CA 3.19Å; L156-K159 WeakPolarHBondContact O-CB 3.49Å; L156-K159 PolarHBondContact O-N 2.8Å; Q157-K159 VanDerWaalsContact C-N 3.27Å; Q157-K159 PolarHBondContact O-N 3.28Å
160	L	85.2	Confident	81.7	Confident	130 Å²	130	130.8 Å²	130.8	68%	0.681	62%	0.617	S	S	*	*	H	α-helix	trans	-77.4	-29.7	175.6	-80.1	167.9	0	0	0	113.1	L156 Q157 E162	L156-L160 HydrophobicContact CD1-CD1 4.42Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 PolarHBondContact O-N 2.88Å; Q157-L160 PolarHBondContact O-N 2.9Å; L160-E162 PolarHBondContact O-N 3.11Å
161	S	81.4	Confident	81.4	Confident	69 Å²	69	130.6 Å²	130.6	48%	0.483	62%	0.616	S	S	.	*	S	Bend	trans	-67.4	103.5	170.6	60.3	0	0	0	0	109.1	Q157 R158	Q157-S161 WeakPolarHBondContact O-CB 3.48Å; Q157-S161 PolarHBondContact O-N 3.5Å; Q157-S161 PolarHBondContact O-OG 2.7Å; R158-S161 WeakPolarHBondContact CA-OG 3.39Å; R158-S161 PolarHBondContact O-OG 3.01Å
162	E	79.5	Confident	81.1	Confident	163 Å²	163	129.8 Å²	129.8	76%	0.762	61%	0.614	S	S	*	*			trans	-48.5	137.1	175.1	-64.1	-177.4	158.1	0	0	110.7	L160 R164	L160-E162 PolarHBondContact O-N 3.11Å; E162-R164 WeakPolarHBondContact O-CG 3.37Å; E162-R164 PolarHBondContact O-N 3.29Å
163	P	72	Confident	80.9	Confident	127 Å²	127	126.1 Å²	126.1	83%	0.825	61%	0.605	S	S	*	*			trans	-59.6	97.5	174.4	-24.4	34.9	0	0	0	110.6	H165	P163-H165 PolarHBondContact O-N 3.11Å
164	R	63.2	Low	80.7	Confident	207 Å²	207	127.3 Å²	127.3	78%	0.781	61%	0.608	S	S	*	*			trans	-70.6	79.7	-178.1	-60.8	-169.5	82	-176.5	6.3	110.1	E162 Q166	E162-R164 WeakPolarHBondContact O-CG 3.37Å; E162-R164 PolarHBondContact O-N 3.29Å; R164-Q166 PolarHBondContact O-N 3.15Å
165	H	67.2	Low	80.6	Confident	174 Å²	174	127.2 Å²	127.2	81%	0.806	61%	0.607	S	S	*	*			trans	-73.4	72.6	178.4	-158.2	88.3	0	0	0	110.1	P163 F167	P163-H165 PolarHBondContact O-N 3.11Å; H165-F167 PolarHBondContact O-N 3.06Å
166	Q	66.7	Low	80.5	Confident	139 Å²	139	124.2 Å²	124.2	65%	0.65	60%	0.604	S	S	*	*			trans	-72.5	99.3	177.4	-65.8	-176	8.2	0	0	108.9	R164 A168	R164-Q166 PolarHBondContact O-N 3.15Å; Q166-A168 PolarHBondContact O-N 2.96Å
167	F	69.4	Low	80.6	Confident	136 Å²	136	125.5 Å²	125.5	60%	0.596	61%	0.607	S	S	*	*			trans	-72.3	72.6	170.8	-171.4	-102.8	0	0	0	109.8	H165 D169 Y172	H165-F167 PolarHBondContact O-N 3.06Å; F167-D169 HydrophobicContact CZ-CB 4.46Å; F167-Y172 HydrophobicContact CD1-CD1 4.34Å; F167-Y172 AromaticContact CE1-CD1 3.68Å; F167-Y172 HydrophobicContact CE1-CD1 3.68Å; F167-Y172 HydrophobicContact CE1-CD2 4.45Å; F167-Y172 HydrophobicContact CE1-CE1 4.12Å; F167-Y172 AromaticContact CE1-CG 3.86Å; F167-Y172 HydrophobicContact CE1-CG 3.86Å
168	A	69.2	Low	80.8	Confident	63 Å²	63	121.8 Å²	121.8	52%	0.521	59%	0.592	S	S	.	*			trans	-102.5	62	-177.2	0	0	0	0	0	110.6	Q166 P170	Q166-A168 PolarHBondContact O-N 2.96Å; A168-P170 WeakPolarHBondContact O-CD 3.33Å
169	D	83.8	Confident	81	Confident	61 Å²	61	118.5 Å²	118.5	33%	0.326	59%	0.588	S	S	.	*			trans	-84.4	115.2	169.9	173.9	13.7	0	0	0	110.1	F167 Q171 Y172 Q173	F167-D169 HydrophobicContact CZ-CB 4.46Å; D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.36Å; D169-Q171 PolarHBondContact OD1-N 3.3Å; D169-Y172 PolarHBondContact O-N 3.41Å; D169-Y172 WeakPolarHBondContact OD2-CB 3.39Å; D169-Y172 PolarHBondContact OD2-N 3.05Å; D169-Q173 VanDerWaalsContact O-CG 3.29Å; D169-Q173 WeakPolarHBondContact O-CG 3.34Å; D169-Q173 PolarHBondContact O-N 3.06Å
170	P	83.6	Confident	81.4	Confident	79 Å²	79	112.4 Å²	112.4	51%	0.513	57%	0.568	S	S	.	*	H	α-helix	trans	-62.3	-30.7	177.2	-21.3	34.2	0	0	0	113.4	A168 Q174	A168-P170 WeakPolarHBondContact O-CD 3.33Å; P170-Q174 WeakPolarHBondContact O-CB 3.5Å; P170-Q174 WeakPolarHBondContact O-CG 3.29Å; P170-Q174 PolarHBondContact O-N 3.31Å
171	Q	84.9	Confident	81.6	Confident	130 Å²	130	111.5 Å²	111.5	61%	0.607	56%	0.56	S	S	*	*	H	α-helix	trans	-73.3	-43.1	179.5	-67.6	-165.8	-15.4	0	0	111.2	D169 Q173 Q174 Q175	D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.36Å; D169-Q171 PolarHBondContact OD1-N 3.3Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q171-Q174 PolarHBondContact O-N 3.23Å; Q171-Q175 WeakPolarHBondContact O-CB 3.33Å; Q171-Q175 WeakPolarHBondContact O-CG 3.43Å; Q171-Q175 PolarHBondContact O-N 3Å
172	Y	85.7	Confident	82	Confident	119 Å²	119	115.5 Å²	115.5	47%	0.467	57%	0.565	S	S	.	*	H	α-helix	trans	-61.7	-40.9	171.3	-176.3	-99.3	0	0	0	112.2	F167 D169 Q175 C176	F167-Y172 HydrophobicContact CD1-CD1 4.34Å; F167-Y172 AromaticContact CE1-CD1 3.68Å; F167-Y172 HydrophobicContact CE1-CD1 3.68Å; F167-Y172 HydrophobicContact CE1-CD2 4.45Å; F167-Y172 HydrophobicContact CE1-CE1 4.12Å; F167-Y172 AromaticContact CE1-CG 3.86Å; F167-Y172 HydrophobicContact CE1-CG 3.86Å; D169-Y172 PolarHBondContact O-N 3.41Å; D169-Y172 WeakPolarHBondContact OD2-CB 3.39Å; D169-Y172 PolarHBondContact OD2-N 3.05Å; Y172-Q175 PolarHBondContact O-N 3.05Å; Y172-C176 VanDerWaalsContact CE1-SG 3.55Å; Y172-C176 PolarHBondContact O-N 3.42Å; Y172-C176 PolarHBondContact O-SG 3.3Å; Y172-C176 VanDerWaalsContact O-SG 3.4Å
173	Q	87.8	Confident	82.5	Confident	111 Å²	111	113.2 Å²	113.2	52%	0.519	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-42.3	176.1	-71.8	171.8	8.5	0	0	112.2	D169 Q171 C176 H177	D169-Q173 VanDerWaalsContact O-CG 3.29Å; D169-Q173 WeakPolarHBondContact O-CG 3.34Å; D169-Q173 PolarHBondContact O-N 3.06Å; Q171-Q173 VanDerWaalsContact C-N 3.34Å; Q173-C176 PolarHBondContact O-N 3.32Å; Q173-H177 PolarHBondContact O-N 3.44Å; Q173-H177 VanDerWaalsContact O-N 3.1Å
174	Q	87.8	Confident	83.2	Confident	123 Å²	123	113.1 Å²	113.1	58%	0.575	55%	0.545	S	S	*	.	H	α-helix	trans	-63.5	-44.8	172	-74.3	166.8	-0.7	0	0	111.5	P170 Q171 C176 H177 D178	P170-Q174 WeakPolarHBondContact O-CB 3.5Å; P170-Q174 WeakPolarHBondContact O-CG 3.29Å; P170-Q174 PolarHBondContact O-N 3.31Å; Q171-Q174 PolarHBondContact O-N 3.23Å; Q174-C176 VanDerWaalsContact C-N 3.32Å; Q174-C176 PolarHBondContact O-N 2.92Å; Q174-H177 WeakPolarHBondContact O-CB 3.31Å; Q174-H177 PolarHBondContact O-N 3.29Å; Q174-H177 VanDerWaalsContact O-N 3.07Å; Q174-D178 WeakPolarHBondContact O-CB 3.47Å; Q174-D178 PolarHBondContact O-N 3.01Å
175	Q	89.3	Confident	84.2	Confident	119 Å²	119	108.2 Å²	108.2	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-61.5	-37.2	177	-74.1	169	18.3	0	0	112.8	Q171 Y172 L179	Q171-Q175 WeakPolarHBondContact O-CB 3.33Å; Q171-Q175 WeakPolarHBondContact O-CG 3.43Å; Q171-Q175 PolarHBondContact O-N 3Å; Y172-Q175 PolarHBondContact O-N 3.05Å; Q175-L179 WeakPolarHBondContact O-CB 3.48Å; Q175-L179 PolarHBondContact O-N 3.18Å
176	C	87.9	Confident	84.9	Confident	57 Å²	57	103.2 Å²	103.2	39%	0.385	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-43.3	171.7	-73	0	0	0	0	111.8	Y172 Q173 Q174 L179 S180	Y172-C176 VanDerWaalsContact CE1-SG 3.55Å; Y172-C176 PolarHBondContact O-N 3.42Å; Y172-C176 PolarHBondContact O-SG 3.3Å; Y172-C176 VanDerWaalsContact O-SG 3.4Å; Q173-C176 PolarHBondContact O-N 3.32Å; Q174-C176 VanDerWaalsContact C-N 3.32Å; Q174-C176 PolarHBondContact O-N 2.92Å; C176-L179 PolarHBondContact O-N 2.93Å; C176-S180 PolarHBondContact O-N 3.46Å; C176-S180 PolarHBondContact O-OG 3.28Å; C176-S180 VanDerWaalsContact O-OG 3.05Å
177	H	90.9	Very high	85.7	Confident	120 Å²	120	101 Å²	101	56%	0.556	52%	0.516	S	S	*	.	H	α-helix	trans	-63.3	-52.6	177.2	-174.3	-74.6	0	0	0	112	Q173 Q174 L179 S180 E181	Q173-H177 PolarHBondContact O-N 3.44Å; Q173-H177 VanDerWaalsContact O-N 3.1Å; Q174-H177 WeakPolarHBondContact O-CB 3.31Å; Q174-H177 PolarHBondContact O-N 3.29Å; Q174-H177 VanDerWaalsContact O-N 3.07Å; H177-L179 PolarHBondContact O-N 3.48Å; H177-S180 WeakPolarHBondContact CA-OG 3.38Å; H177-S180 PolarHBondContact O-N 3.27Å; H177-S180 VanDerWaalsContact O-N 3.16Å; H177-S180 PolarHBondContact O-OG 2.94Å; H177-E181 IonicContact ND1-OE2 3.16Å; H177-E181 WeakPolarHBondContact O-CB 3.47Å; H177-E181 PolarHBondContact O-N 2.85Å
178	D	91.1	Very high	86.1	Confident	62 Å²	62	100 Å²	100	33%	0.332	52%	0.516	S	S	.	.	H	α-helix	trans	-52.7	-38.6	173	-86.6	44.7	0	0	0	112.2	Q174 R182	Q174-D178 WeakPolarHBondContact O-CB 3.47Å; Q174-D178 PolarHBondContact O-N 3.01Å; D178-R182 VanDerWaalsContact O-CB 3.32Å; D178-R182 WeakPolarHBondContact O-CB 3.39Å; D178-R182 WeakPolarHBondContact O-CD 3.37Å; D178-R182 WeakPolarHBondContact O-CG 3.46Å; D178-R182 PolarHBondContact O-N 3.17Å; D178-R182 IonicContact OD2-CZ 3.74Å; D178-R182 IonicContact OD2-NH2 2.88Å; D178-R182 PolarHBondContact OD2-NH2 3.5Å
179	L	90	Very high	86.2	Confident	122 Å²	122	103.3 Å²	103.3	64%	0.639	52%	0.518	S	S	*	.	H	α-helix	trans	-73.8	-38.7	-179.9	-172.9	65.3	0	0	0	111.9	Q175 C176 H177 L183	Q175-L179 WeakPolarHBondContact O-CB 3.48Å; Q175-L179 PolarHBondContact O-N 3.18Å; C176-L179 PolarHBondContact O-N 2.93Å; H177-L179 PolarHBondContact O-N 3.48Å; L179-L183 VanDerWaalsContact O-CB 3.26Å; L179-L183 WeakPolarHBondContact O-CB 3.28Å; L179-L183 PolarHBondContact O-N 2.87Å
180	S	92.1	Very high	85.3	Confident	50 Å²	50	103.4 Å²	103.4	35%	0.35	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-46.7	170.6	36.3	0	0	0	0	111.8	C176 H177 R182 L183 E184	C176-S180 PolarHBondContact O-N 3.46Å; C176-S180 PolarHBondContact O-OG 3.28Å; C176-S180 VanDerWaalsContact O-OG 3.05Å; H177-S180 WeakPolarHBondContact CA-OG 3.38Å; H177-S180 PolarHBondContact O-N 3.27Å; H177-S180 VanDerWaalsContact O-N 3.16Å; H177-S180 PolarHBondContact O-OG 2.94Å; S180-R182 PolarHBondContact O-N 2.74Å; S180-L183 WeakPolarHBondContact O-CB 3.3Å; S180-L183 PolarHBondContact O-N 3.29Å; S180-L183 VanDerWaalsContact O-N 3.09Å; S180-E184 WeakPolarHBondContact O-CG 3.19Å; S180-E184 PolarHBondContact O-N 2.93Å
181	E	90.2	Very high	84.3	Confident	110 Å²	110	101.6 Å²	101.6	51%	0.514	52%	0.523	S	S	.	.	H	α-helix	trans	-59.6	-46.8	179.3	-173.8	173.2	-160.7	0	0	111	H177 L183 E184 D185	H177-E181 IonicContact ND1-OE2 3.16Å; H177-E181 WeakPolarHBondContact O-CB 3.47Å; H177-E181 PolarHBondContact O-N 2.85Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 2.91Å; E181-E184 PolarHBondContact O-N 3.22Å; E181-D185 WeakPolarHBondContact O-CB 3.1Å; E181-D185 PolarHBondContact O-N 2.91Å
182	R	90.2	Very high	83.3	Confident	153 Å²	153	101.2 Å²	101.2	58%	0.577	53%	0.525	S	S	*	.	H	α-helix	trans	-66.4	-29.4	175.5	-68.7	168.5	-157.7	-174.4	10.3	113.5	D178 S180 S186	D178-R182 VanDerWaalsContact O-CB 3.32Å; D178-R182 WeakPolarHBondContact O-CB 3.39Å; D178-R182 WeakPolarHBondContact O-CD 3.37Å; D178-R182 WeakPolarHBondContact O-CG 3.46Å; D178-R182 PolarHBondContact O-N 3.17Å; D178-R182 IonicContact OD2-CZ 3.74Å; D178-R182 IonicContact OD2-NH2 2.88Å; D178-R182 PolarHBondContact OD2-NH2 3.5Å; S180-R182 PolarHBondContact O-N 2.74Å; R182-S186 WeakPolarHBondContact O-CB 3.27Å; R182-S186 PolarHBondContact O-N 3.21Å; R182-S186 PolarHBondContact O-OG 2.81Å
183	L	89.8	Confident	82.1	Confident	115 Å²	115	100.8 Å²	100.8	60%	0.602	53%	0.527	S	S	*	.	H	α-helix	trans	-72.5	-44.7	175.3	-176.7	68.8	0	0	0	110.6	L179 S180 E181 S186 V187	L179-L183 VanDerWaalsContact O-CB 3.26Å; L179-L183 WeakPolarHBondContact O-CB 3.28Å; L179-L183 PolarHBondContact O-N 2.87Å; S180-L183 WeakPolarHBondContact O-CB 3.3Å; S180-L183 PolarHBondContact O-N 3.29Å; S180-L183 VanDerWaalsContact O-N 3.09Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 2.91Å; L183-S186 PolarHBondContact O-N 3.22Å; L183-V187 WeakPolarHBondContact O-CG2 3.31Å; L183-V187 PolarHBondContact O-N 3.34Å
184	E	87.4	Confident	80.5	Confident	125 Å²	125	98.9 Å²	98.9	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-61.3	-49	174.7	-72.1	174.5	-155.2	0	0	110.6	S180 E181 S186 V187 L188	S180-E184 WeakPolarHBondContact O-CG 3.19Å; S180-E184 PolarHBondContact O-N 2.93Å; E181-E184 PolarHBondContact O-N 3.22Å; E184-S186 VanDerWaalsContact C-N 3.28Å; E184-S186 PolarHBondContact O-N 2.91Å; E184-V187 PolarHBondContact O-N 3.26Å; E184-L188 VanDerWaalsContact O-CB 3.31Å; E184-L188 WeakPolarHBondContact O-CB 3.4Å; E184-L188 VanDerWaalsContact O-CG 3.24Å; E184-L188 WeakPolarHBondContact O-CG 3.49Å; E184-L188 PolarHBondContact O-N 3.2Å
185	D	83.7	Confident	78.9	Confident	104 Å²	104	98.5 Å²	98.5	56%	0.556	54%	0.536	S	S	*	.	H	α-helix	trans	-54.2	-44	171.3	-111.9	3.1	0	0	0	111.7	E181 K189	E181-D185 WeakPolarHBondContact O-CB 3.1Å; E181-D185 PolarHBondContact O-N 2.91Å; D185-K189 WeakPolarHBondContact O-CA 3.44Å; D185-K189 WeakPolarHBondContact O-CB 3.47Å; D185-K189 PolarHBondContact O-N 3.47Å
186	S	81.8	Confident	77.4	Confident	69 Å²	69	97.3 Å²	97.3	48%	0.483	54%	0.541	S	S	.	.	H	α-helix	trans	-69	-36.5	-179.8	-64.4	0	0	0	0	112.6	R182 L183 E184 A190	R182-S186 WeakPolarHBondContact O-CB 3.27Å; R182-S186 PolarHBondContact O-N 3.21Å; R182-S186 PolarHBondContact O-OG 2.81Å; L183-S186 PolarHBondContact O-N 3.22Å; E184-S186 VanDerWaalsContact C-N 3.28Å; E184-S186 PolarHBondContact O-N 2.91Å; S186-A190 WeakPolarHBondContact O-CA 3.37Å; S186-A190 WeakPolarHBondContact O-CB 3.37Å; S186-A190 PolarHBondContact O-N 3.14Å
187	V	83.5	Confident	75.7	Confident	94 Å²	94	98.8 Å²	98.8	57%	0.57	55%	0.552	S	S	*	*	I	π-helix	trans	-72.1	-45.1	176.1	170.1	0	0	0	0	110.8	L183 E184 G191	L183-V187 WeakPolarHBondContact O-CG2 3.31Å; L183-V187 PolarHBondContact O-N 3.34Å; E184-V187 PolarHBondContact O-N 3.26Å; V187-G191 VanDerWaalsContact O-CA 3.24Å; V187-G191 WeakPolarHBondContact O-CA 3.32Å; V187-G191 PolarHBondContact O-N 3.04Å
188	L	78.5	Confident	73.7	Confident	114 Å²	114	96.4 Å²	96.4	60%	0.597	56%	0.56	S	S	*	*	I	π-helix	trans	-65.5	-38	177.2	-69.2	170.3	0	0	0	112	E184 L192	E184-L188 VanDerWaalsContact O-CB 3.31Å; E184-L188 WeakPolarHBondContact O-CB 3.4Å; E184-L188 VanDerWaalsContact O-CG 3.24Å; E184-L188 WeakPolarHBondContact O-CG 3.49Å; E184-L188 PolarHBondContact O-N 3.2Å; L188-L192 WeakPolarHBondContact O-CB 3.28Å
189	K	69.9	Low	71.4	Confident	133 Å²	133	102.7 Å²	102.7	58%	0.578	59%	0.588	S	S	*	*	I	π-helix	trans	-82.6	-56.1	-179.5	-166.9	172.2	-175.5	172.1	0	112.1	D185 Q193	D185-K189 WeakPolarHBondContact O-CA 3.44Å; D185-K189 WeakPolarHBondContact O-CB 3.47Å; D185-K189 PolarHBondContact O-N 3.47Å; K189-Q193 WeakPolarHBondContact O-CB 3.48Å; K189-Q193 WeakPolarHBondContact O-CG 3.43Å; K189-Q193 PolarHBondContact O-N 3.28Å; K189-Q193 VanDerWaalsContact O-N 3.09Å
190	A	64.9	Low	69.1	Low	62 Å²	62	103.1 Å²	103.1	51%	0.512	60%	0.595	S	S	.	*	I	π-helix	trans	-76.1	-41.4	-176.8	0	0	0	0	0	112.4	S186 L192 Q193 A194	S186-A190 WeakPolarHBondContact O-CA 3.37Å; S186-A190 WeakPolarHBondContact O-CB 3.37Å; S186-A190 PolarHBondContact O-N 3.14Å; A190-L192 PolarHBondContact O-N 3.48Å; A190-Q193 PolarHBondContact O-N 2.71Å; A190-A194 WeakPolarHBondContact O-CB 3.19Å; A190-A194 PolarHBondContact O-N 2.77Å
191	G	64.2	Low	66.3	Low	41 Å²	41	110.6 Å²	110.6	42%	0.423	62%	0.621	S	S	.	*	I	π-helix	trans	-63.9	-40.2	179.4	0	0	0	0	0	113.2	V187 T195	V187-G191 VanDerWaalsContact O-CA 3.24Å; V187-G191 WeakPolarHBondContact O-CA 3.32Å; V187-G191 PolarHBondContact O-N 3.04Å; G191-T195 WeakPolarHBondContact O-CG2 3.49Å; G191-T195 PolarHBondContact O-OG1 3.1Å
192	L	63.2	Low	64.2	Low	123 Å²	123	112.4 Å²	112.4	64%	0.644	64%	0.64	S	S	*	*	H	α-helix	trans	-85.7	-20.1	-179	-150.9	65.3	0	0	0	113.7	L188 A190 T195 S196	L188-L192 WeakPolarHBondContact O-CB 3.28Å; A190-L192 PolarHBondContact O-N 3.48Å; L192-T195 WeakPolarHBondContact CA-OG1 3.36Å; L192-T195 PolarHBondContact O-OG1 2.96Å; L192-S196 PolarHBondContact O-OG 3.37Å
193	Q	60.1	Low	61.3	Low	109 Å²	109	108.4 Å²	108.4	51%	0.509	65%	0.645	S	S	.	*	H	α-helix	trans	-96.7	-29.2	176.6	-61.4	174.9	10	0	0	113.5	K189 A190 T195 S196 S197	K189-Q193 WeakPolarHBondContact O-CB 3.48Å; K189-Q193 WeakPolarHBondContact O-CG 3.43Å; K189-Q193 PolarHBondContact O-N 3.28Å; K189-Q193 VanDerWaalsContact O-N 3.09Å; A190-Q193 PolarHBondContact O-N 2.71Å; Q193-T195 PolarHBondContact O-N 3.43Å; Q193-S196 WeakPolarHBondContact CA-OG 3.21Å; Q193-S196 CarbonylContact O-C 3.55Å; Q193-S196 PolarHBondContact O-N 3.19Å; Q193-S196 VanDerWaalsContact O-N 3.12Å; Q193-S196 PolarHBondContact O-OG 2.95Å; Q193-S197 PolarHBondContact O-N 2.94Å; Q193-S197 VanDerWaalsContact O-N 3.12Å; Q193-S197 PolarHBondContact O-OG 3.4Å
194	A	53.7	Low	58.5	Low	72 Å²	72	108.3 Å²	108.3	60%	0.595	66%	0.661	S	S	*	*	H	α-helix	trans	-71.6	-19.7	171	0	0	0	0	0	112.6	A190 S196	A190-A194 WeakPolarHBondContact O-CB 3.19Å; A190-A194 PolarHBondContact O-N 2.77Å; A194-S196 VanDerWaalsContact C-N 3.29Å
195	T	54.9	Low	56.2	Low	114 Å²	114	108.9 Å²	108.9	70%	0.699	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-3.6	169.8	41.5	0	0	0	0	113.5	G191 L192 Q193	G191-T195 WeakPolarHBondContact O-CG2 3.49Å; G191-T195 PolarHBondContact O-OG1 3.1Å; L192-T195 WeakPolarHBondContact CA-OG1 3.36Å; L192-T195 PolarHBondContact O-OG1 2.96Å; Q193-T195 PolarHBondContact O-N 3.43Å
196	S	57.1	Low	54.2	Low	94 Å²	94	109.7 Å²	109.7	66%	0.657	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	5.9	-179.1	50	0	0	0	0	114.8	L192 Q193 A194	L192-S196 PolarHBondContact O-OG 3.37Å; Q193-S196 WeakPolarHBondContact CA-OG 3.21Å; Q193-S196 CarbonylContact O-C 3.55Å; Q193-S196 PolarHBondContact O-N 3.19Å; Q193-S196 VanDerWaalsContact O-N 3.12Å; Q193-S196 PolarHBondContact O-OG 2.95Å; A194-S196 VanDerWaalsContact C-N 3.29Å
197	S	51.9	Low	52	Low	88 Å²	88	112.3 Å²	112.3	62%	0.615	69%	0.688	S	S	*	*			trans	-142.7	150.8	176.8	59.6	0	0	0	0	112.4	Q193	Q193-S197 PolarHBondContact O-N 2.94Å; Q193-S197 VanDerWaalsContact O-N 3.12Å; Q193-S197 PolarHBondContact O-OG 3.4Å
198	G	50.2	Low	49.9	Very low	71 Å²	71	116.9 Å²	116.9	73%	0.732	70%	0.703	S	S	*	*			trans	-145.7	174	-174.6	0	0	0	0	0	114.8
199	Q	42.7	Very low	47.9	Very low	193 Å²	193	117.8 Å²	117.8	90%	0.902	71%	0.709	S	S	*	*			trans	87.2	88.5	-178.4	-55.3	-165.6	-94.1	0	0	118.8
200	V	41.8	Very low	46.3	Very low	131 Å²	131	120.2 Å²	120.2	79%	0.794	72%	0.722	S	S	*	*				49.4	123.8	113.7	177.9	0	0	0	0	120
201	K	33.6	Very low	45.1	Very low	208 Å²	208	121.3 Å²	121.3	90%	0.904	73%	0.731	S	S	*	*				-159.4	162.1	123.8	-111.8	168.7	-173.1	177.1	0	113.1
202	V	44.7	Very low	43.8	Very low	148 Å²	148	125.9 Å²	125.9	90%	0.897	75%	0.753	S	S	*	*			trans	-129.7	146.8	-172.5	171.3	0	0	0	0	109.4
203	G	30.4	Very low	42.4	Very low	68 Å²	68	124.1 Å²	124.1	70%	0.701	76%	0.757	S	S	*	*			trans	-179.1	128.7	168.9	0	0	0	0	0	116.5
204	A	31.4	Very low	41.4	Very low	113 Å²	113	130.3 Å²	130.3	93%	0.934	78%	0.775	S	S	*	*			trans	69.8	130.9	160.9	0	0	0	0	0	120.5
205	D	38.3	Very low	40.4	Very low	138 Å²	138	137 Å²	137	74%	0.738	79%	0.791	S	S	*	*			trans	-113	152.1	166.1	-152.5	-68.2	0	0	0	106.5	D207	D205-D207 PolarHBondContact OD1-N 3.45Å
206	P	42.3	Very low	39.5	Very low	121 Å²	121	141.4 Å²	141.4	79%	0.786	80%	0.795	S	S	*	*				-148.6	125.1	107.8	35	-17.5	0	0	0	116.1
207	D	34.3	Very low	38.5	Very low	123 Å²	123	146.2 Å²	146.2	66%	0.658	81%	0.809	S	S	*	*			trans	10.8	117.9	138.3	-176.8	20.3	0	0	0	117.6	D205 N209	D205-D207 PolarHBondContact OD1-N 3.45Å; D207-N209 PolarHBondContact OD1-N 2.84Å
208	Q	40.9	Very low	37.7	Very low	190 Å²	190	149.7 Å²	149.7	89%	0.888	81%	0.813	S	S	*	*			trans	-144	101.7	133.4	-147.5	165.1	110.8	0	0	113.2
209	N	35	Very low	36.5	Very low	134 Å²	134	153 Å²	153	72%	0.717	82%	0.819	S	S	*	*			trans	-76.8	119.5	176.6	-177.3	2.1	0	0	0	113.2	D207	D207-N209 PolarHBondContact OD1-N 2.84Å
210	Q	37.6	Very low	35.8	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	81%	0.813	S	S	*	*			trans	-158.5	119.6	155.5	-124.2	172	109.8	0	0	114.3
211	A	38.7	Very low	35.1	Very low	85 Å²	85	146.8 Å²	146.8	70%	0.702	82%	0.815	S	S	*	*			trans	-130.8	127.5	167.8	0	0	0	0	0	110.4
212	P	36.4	Very low	35	Very low	137 Å²	137	141.4 Å²	141.4	89%	0.89	81%	0.809	S	S	*	*			trans	-87.8	111.5	170.2	32	-30	0	0	0	110.5
213	A	35.3	Very low	34.4	Very low	87 Å²	87	139.4 Å²	139.4	72%	0.719	81%	0.808	S	S	*	*			trans	-91.9	140.7	-179.8	0	0	0	0	0	113.1
214	R	37.6	Very low	34.4	Very low	238 Å²	238	140 Å²	140	90%	0.898	81%	0.814	S	S	*	*			trans	67.3	131.6	160.9	-58.7	170.3	164.3	-160.5	-2.7	118.4
215	K	34.5	Very low	34.3	Very low	212 Å²	212	142.6 Å²	142.6	92%	0.922	81%	0.805	S	S	*	*				-148.9	138.2	101.8	-105.2	160.1	-172.2	173.7	0	111.4
216	R	35.7	Very low	34.1	Very low	208 Å²	208	148.3 Å²	148.3	79%	0.785	82%	0.816	S	S	*	*			trans	-101.7	136	170.8	-86	166.8	40	-173.7	-11	108.3
217	M	35.3	Very low	33.4	Very low	195 Å²	195	147.3 Å²	147.3	96%	0.961	81%	0.812	S	S	*	*			trans	-130	162.9	145.4	-67.4	-166.2	75.4	0	0	108.8
218	K	34.6	Very low	33.1	Very low	161 Å²	161	147.4 Å²	147.4	70%	0.7	82%	0.817	S	S	*	*			trans	-131.7	155.6	-169.1	-81	-171.6	168.8	-167.2	0	110.7
219	T	26.1	Very low	32.9	Very low	140 Å²	140	143.8 Å²	143.8	86%	0.859	81%	0.811	S	S	*	*			trans	63.4	154.4	157.7	43.1	0	0	0	0	116.3
220	A	26.8	Very low	32.6	Very low	92 Å²	92	146 Å²	146	76%	0.76	82%	0.817	S	S	*	*			cis	-137.1	145.7	8.2	0	0	0	0	0	108.8
221	A	27.7	Very low	32.4	Very low	101 Å²	101	143.4 Å²	143.4	84%	0.835	81%	0.813	S	S	*	*				94.9	93.6	62	0	0	0	0	0	114.7
222	A	30.5	Very low	32.1	Very low	96 Å²	96	147.1 Å²	147.1	79%	0.793	82%	0.821	S	S	*	*			trans	-176.1	126.5	157.6	0	0	0	0	0	105.8
223	A	33	Very low	32.2	Very low	105 Å²	105	147.5 Å²	147.5	87%	0.868	82%	0.82	S	S	*	*			cis	64.5	118.5	16.8	0	0	0	0	0	114.3
224	G	31.3	Very low	32.6	Very low	80 Å²	80	154.3 Å²	154.3	83%	0.825	83%	0.828	S	S	*	*			cis	-123.9	-149.7	-12.1	0	0	0	0	0	110.5
225	F	27.5	Very low	32.6	Very low	169 Å²	169	150 Å²	150	74%	0.741	83%	0.828	S	S	*	*			cis	-165.4	136.5	10.7	170.8	-95.9	0	0	0	108	V228	F225-V228 HydrophobicContact CE1-CG2 4.02Å; F225-V228 HydrophobicContact CZ-CG2 3.91Å
226	W	35.2	Very low	32.5	Very low	257 Å²	257	144 Å²	144	97%	0.973	83%	0.826	S	S	*	*			trans	-129.3	153.9	172.9	-110.9	39.3	0	0	0	109.2
227	S	28.3	Very low	32.9	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	83%	0.827	S	S	*	*			trans	72	94.5	-174.2	-160.1	0	0	0	0	116.5
228	V	27.8	Very low	33.5	Very low	126 Å²	126	139.6 Å²	139.6	76%	0.764	82%	0.816	S	S	*	*				-128.3	98.1	124.2	178.6	0	0	0	0	107.3	F225	F225-V228 HydrophobicContact CE1-CG2 4.02Å; F225-V228 HydrophobicContact CZ-CG2 3.91Å
229	C	35.8	Very low	34.2	Very low	113 Å²	113	140.9 Å²	140.9	76%	0.764	83%	0.825	S	S	*	*			trans	-97	170.5	150.9	-89.4	0	0	0	0	108.6
230	E	28.1	Very low	35.1	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	82%	0.824	S	S	*	*			trans	67.8	84.7	163.4	-163.4	163.4	-142.8	0	0	116.5
231	V	34.6	Very low	35.9	Very low	128 Å²	128	145.5 Å²	145.5	78%	0.776	83%	0.829	S	S	*	*				-170.5	103.2	107	159	0	0	0	0	108.1
232	L	32.6	Very low	36.5	Very low	164 Å²	164	146.4 Å²	146.4	86%	0.859	83%	0.83	S	S	*	*			trans	-166.4	47.7	150.1	-138.6	74.2	0	0	0	113.7	R234	L232-R234 PolarHBondContact O-N 3.12Å
233	T	38.3	Very low	37.1	Very low	144 Å²	144	146.6 Å²	146.6	88%	0.883	83%	0.825	S	S	*	*			trans	-79.3	77.1	178.8	34.8	0	0	0	0	113.2
234	R	44.1	Very low	37.5	Very low	231 Å²	231	150.2 Å²	150.2	87%	0.872	82%	0.824	S	S	*	*	S	Bend	trans	-163	137.5	151.1	-119	166	171.3	148.3	-2.1	114.3	L232	L232-R234 PolarHBondContact O-N 3.12Å
235	T	37.3	Very low	38	Very low	148 Å²	148	153.8 Å²	153.8	91%	0.908	82%	0.824	S	S	*	*	S	Bend	trans	57.5	107.5	168.7	54.8	0	0	0	0	118.1
236	G	32.5	Very low	38.8	Very low	85 Å²	85	154.7 Å²	154.7	88%	0.876	83%	0.831	S	S	*	*			trans	136.8	89.1	170.4	0	0	0	0	0	112.1
237	L	42.6	Very low	39.1	Very low	152 Å²	152	149 Å²	149	80%	0.796	82%	0.819	S	S	*	*			trans	-130.8	155	-177.2	-166.6	75.8	0	0	0	109.6
238	E	49	Very low	39.6	Very low	159 Å²	159	152.1 Å²	152.1	74%	0.743	83%	0.828	S	S	*	*	S	Bend	trans	67.5	62.5	172.7	-50.4	-50.1	150.6	0	0	118.2
239	E	48.4	Very low	40.1	Very low	188 Å²	188	153.2 Å²	153.2	88%	0.879	83%	0.825	S	S	*	*			trans	-162.1	170.2	139.2	-118.4	179.3	159	0	0	111.3
240	L	45.3	Very low	39.9	Very low	161 Å²	161	156.3 Å²	156.3	84%	0.843	83%	0.828	S	S	*	*			trans	69.9	54.7	175	-57.3	174.8	0	0	0	118.8
241	L	43.5	Very low	40	Very low	167 Å²	167	156.5 Å²	156.5	87%	0.874	83%	0.827	S	S	*	*			trans	-136.8	72.5	139.4	-81.7	-172.8	0	0	0	110.7
242	S	40.5	Very low	40	Very low	120 Å²	120	156.5 Å²	156.5	84%	0.839	83%	0.829	S	S	*	*			trans	-131.5	56.7	171.2	-176.8	0	0	0	0	110
243	S	44.2	Very low	39.9	Very low	100 Å²	100	160.2 Å²	160.2	70%	0.699	83%	0.832	S	S	*	*			trans	-81.9	118.5	168.4	54.4	0	0	0	0	109.9
244	E	40.9	Very low	39.4	Very low	182 Å²	182	159.1 Å²	159.1	85%	0.85	83%	0.83	S	S	*	*			trans	-29.1	123.4	166.5	-62.7	142.1	140.9	0	0	114.9
245	D	42.2	Very low	38.9	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	82%	0.822	S	S	*	*			trans	-117.4	113.2	152.2	-92.2	-46.7	0	0	0	106.2	D247	D245-D247 PolarHBondContact O-N 2.93Å
246	E	43.3	Very low	38.7	Very low	189 Å²	189	157.7 Å²	157.7	88%	0.883	82%	0.823	S	S	*	*			trans	-86.8	87	175.7	-68.4	-170.8	125.9	0	0	110.3	D248	E246-D248 PolarHBondContact O-N 3.32Å
247	D	41.1	Very low	38.5	Very low	137 Å²	137	157.6 Å²	157.6	73%	0.733	82%	0.822	S	S	*	*			trans	-78.1	103.1	167.7	-85	-36.3	0	0	0	110	D245 E249	D245-D247 PolarHBondContact O-N 2.93Å; D247-E249 PolarHBondContact O-N 2.79Å
248	D	38.5	Very low	37.9	Very low	165 Å²	165	155 Å²	155	88%	0.882	82%	0.823	S	S	*	*			trans	-65.5	86.8	171.5	-91.4	-51.4	0	0	0	111.8	E246 E250	E246-D248 PolarHBondContact O-N 3.32Å; D248-E250 PolarHBondContact O-N 3.21Å
249	E	39.1	Very low	36.9	Very low	149 Å²	149	154 Å²	154	70%	0.696	83%	0.827	S	S	*	*			trans	-73.7	86.9	174.2	-74.9	-90.6	-151.1	0	0	111.3	D247 F251	D247-E249 PolarHBondContact O-N 2.79Å; E249-F251 PolarHBondContact O-N 2.97Å
250	E	32.1	Very low	35.9	Very low	179 Å²	179	151.4 Å²	151.4	84%	0.836	82%	0.824	S	S	*	*			trans	-59.1	124.3	178.8	-173.2	-179.3	-174.7	0	0	112.8	D248	D248-E250 PolarHBondContact O-N 3.21Å
251	F	29.4	Very low	35	Very low	185 Å²	185	152.1 Å²	152.1	81%	0.811	83%	0.825	S	S	*	*			trans	-64.9	123.4	177.9	-89.2	-94.4	0	0	0	112.1	E249 R253	E249-F251 PolarHBondContact O-N 2.97Å; F251-R253 PolarHBondContact O-N 3.45Å; F251-R253 VanDerWaalsContact O-N 3.08Å
252	P	35	Very low	34.2	Very low	127 Å²	127	151 Å²	151	83%	0.825	83%	0.826	S	S	*	*			trans	-70.1	109.4	-175.2	27.5	-34.9	0	0	0	111.9
253	R	31.2	Very low	33.7	Very low	243 Å²	243	150.9 Å²	150.9	92%	0.917	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-90.8	116	168.7	-73.8	-166.5	170.9	-150.7	-2.3	110.9	F251	F251-R253 PolarHBondContact O-N 3.45Å; F251-R253 VanDerWaalsContact O-N 3.08Å
254	S	28	Very low	32.9	Very low	121 Å²	121	155.1 Å²	155.1	85%	0.846	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-57.5	147.9	-178.8	-169.7	0	0	0	0	113
255	S	33.4	Very low	32.3	Very low	99 Å²	99	155.2 Å²	155.2	69%	0.692	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82	141.3	-176.8	60.9	0	0	0	0	113.1
256	R	31.9	Very low	31.7	Very low	250 Å²	250	154.9 Å²	154.9	94%	0.943	82%	0.815	S	S	*	*			trans	174.3	147.4	132.4	-100	165.9	168.8	-177.4	-4.4	112.7
257	G	29.8	Very low	31	Very low	83 Å²	83	152.4 Å²	152.4	86%	0.856	80%	0.803	S	S	*	*			trans	104.5	96.4	161.2	0	0	0	0	0	115
258	A	29.2	Very low	30.3	Very low	97 Å²	97	150.7 Å²	150.7	80%	0.802	81%	0.808	S	S	*	*			trans	-106.5	134.5	166	0	0	0	0	0	110
259	V	28.9	Very low	29.9	Very low	138 Å²	138	151.4 Å²	151.4	84%	0.836	81%	0.806	S	S	*	*			trans	-157.4	116.7	155.4	-104.9	0	0	0	0	111.6
260	T	26.9	Very low	30.2	Very low	133 Å²	133	149.8 Å²	149.8	82%	0.816	81%	0.809	S	S	*	*			trans	24.4	129.9	142.7	55.5	0	0	0	0	122.1
261	M	26.2	Very low	29.9	Very low	176 Å²	176	144 Å²	144	87%	0.867	80%	0.797	S	S	*	*			trans	-68.9	158.3	163.4	-65.5	-77.4	-167.5	0	0	114
262	T	26.5	Very low	30.8	Very low	145 Å²	145	141.9 Å²	141.9	89%	0.89	80%	0.802	S	S	*	*			trans	-134.7	159.9	146.1	47.4	0	0	0	0	109.9
263	T	30.5	Very low	30.5	Very low	117 Å²	117	141.1 Å²	141.1	72%	0.718	80%	0.799	S	S	*	*			trans	-129.6	150.9	-152.9	47.8	0	0	0	0	115.7
264	Q	27	Very low	30.3	Very low	189 Å²	189	135 Å²	135	88%	0.883	79%	0.794	S	S	*	*			trans	171.3	126.2	158	-95.9	148.3	107.1	0	0	105.4
265	R	28.4	Very low	30.4	Very low	183 Å²	183	140.7 Å²	140.7	69%	0.691	80%	0.797	S	S	*	*			cis	61.9	128.8	37.4	-119	-156.5	163.2	-154.6	7.3	112.1	E267	R265-E267 IonicContact CZ-OE1 3.12Å; R265-E267 IonicContact NE-OE1 2.77Å; R265-E267 PolarHBondContact NE-OE1 3.04Å; R265-E267 IonicContact NH2-OE1 2.68Å; R265-E267 PolarHBondContact NH2-OE1 3.37Å
266	E	29.9	Very low	30.2	Very low	148 Å²	148	141.7 Å²	141.7	69%	0.692	80%	0.804	S	S	*	*			cis	-132.7	139.6	29.1	-72.2	-167.6	135.4	0	0	114.1
267	E	28	Very low	30.1	Very low	137 Å²	137	139 Å²	139	64%	0.64	80%	0.799	S	S	*	*				83.5	119.3	89.2	-59.9	-75	155.4	0	0	116.2	R265	R265-E267 IonicContact CZ-OE1 3.12Å; R265-E267 IonicContact NE-OE1 2.77Å; R265-E267 PolarHBondContact NE-OE1 3.04Å; R265-E267 IonicContact NH2-OE1 2.68Å; R265-E267 PolarHBondContact NH2-OE1 3.37Å
268	A	27.1	Very low	30	Very low	101 Å²	101	142.2 Å²	142.2	84%	0.835	80%	0.802	S	S	*	*			trans	170.2	115.3	139.6	0	0	0	0	0	113.8
269	E	30.5	Very low	29.9	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	80%	0.795	S	S	*	*			trans	-110.3	179.1	162.3	-89.9	-83.7	142.8	0	0	108.1
270	P	44	Very low	29.9	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	79%	0.791	S	S	*	*			cis	-136	-175.5	10.5	37.1	-15.2	0	0	0	117.2
271	G	26.8	Very low	29.9	Very low	58 Å²	58	146.5 Å²	146.5	60%	0.598	80%	0.795	S	S	*	*			trans	-72.6	-160.7	169.1	0	0	0	0	0	115.9
272	P	46.8	Very low	30.1	Very low	139 Å²	139	143.2 Å²	143.2	90%	0.903	79%	0.79	S	S	*	*				-146.6	-151.6	68.7	42.2	-22.5	0	0	0	115.3
273	S	28.5	Very low	30.3	Very low	111 Å²	111	143.6 Å²	143.6	78%	0.776	79%	0.792	S	S	*	*			trans	-134.6	161.8	-154	63.8	0	0	0	0	117.1
274	S	28.8	Very low	30.1	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	79%	0.792	S	S	*	*			trans	175.4	142.5	146.5	42.3	0	0	0	0	108.6
275	R	29.5	Very low	29.9	Very low	240 Å²	240	142 Å²	142	91%	0.906	79%	0.792	S	S	*	*			cis	87.4	97.3	13.6	-160	-171.3	-172.9	-152.9	3.3	117.2
276	S	29.1	Very low	29.9	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	79%	0.792	S	S	*	*			trans	-149.8	148.2	151.6	54.1	0	0	0	0	110.8
277	K	29.8	Very low	29.8	Very low	194 Å²	194	138.6 Å²	138.6	84%	0.843	80%	0.797	S	S	*	*			trans	-131	134.5	177.5	-76	-171.5	177.2	-172.8	0	109.9
278	V	27.5	Very low	30	Very low	150 Å²	150	136.8 Å²	136.8	91%	0.909	80%	0.8	S	S	*	*			trans	-150.8	156.5	159.6	-171.4	0	0	0	0	107.6
279	S	26.6	Very low	30.2	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	80%	0.796	S	S	*	*				174.7	121	-58.7	179.9	0	0	0	0	108.3
280	V	29.4	Very low	30.2	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	80%	0.797	S	S	*	*			trans	54.9	116.7	151.2	177.3	0	0	0	0	118.7
281	R	26	Very low	29.5	Very low	242 Å²	242	140 Å²	140	91%	0.913	80%	0.795	S	S	*	*				-163.3	158.9	98.7	-135.3	146.5	-163.3	-136	2.1	114.1
282	S	32.3	Very low	29.5	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	80%	0.799	S	S	*	*			trans	-132.5	148.5	179.6	50.1	0	0	0	0	110.7
283	T	28.8	Very low	28.6	Very low	152 Å²	152	143.7 Å²	143.7	93%	0.933	79%	0.788	S	S	*	*			trans	-154.8	144.2	164.1	42.9	0	0	0	0	108.5
284	G	27.6	Very low	28.5	Very low	71 Å²	71	146.1 Å²	146.1	73%	0.732	79%	0.791	S	S	*	*			trans	-153	149.2	173.8	0	0	0	0	0	112.1
285	F	23.4	Very low	28.5	Very low	201 Å²	201	150.2 Å²	150.2	88%	0.882	79%	0.789	S	S	*	*			trans	-163.1	136.3	170.9	-121.9	-99	0	0	0	104.6
286	S	28	Very low	28.5	Very low	97 Å²	97	144 Å²	144	68%	0.678	78%	0.778	S	S	*	*			cis	100.8	136.1	21.3	-164.6	0	0	0	0	114.3
287	M	27.3	Very low	28.6	Very low	164 Å²	164	148.9 Å²	148.9	81%	0.808	78%	0.778	S	S	*	*			trans	86.9	144.6	173.5	-63.5	-119.3	60.7	0	0	120.6
288	S	32.9	Very low	29.4	Very low	99 Å²	99	145.1 Å²	145.1	69%	0.692	77%	0.773	S	S	*	*			trans	-82.7	-168.8	-179.4	-42.7	0	0	0	0	111.5
289	D	31.2	Very low	29.5	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	77%	0.765	S	S	*	*			cis	-163.3	-169.2	18.2	-149.7	-21.4	0	0	0	111.6
290	Q	29.3	Very low	29.7	Very low	183 Å²	183	146.6 Å²	146.6	86%	0.855	77%	0.767	S	S	*	*			trans	90.7	143.7	156.6	-162.5	175.4	107	0	0	116.9
291	L	29.5	Very low	29.9	Very low	137 Å²	137	148 Å²	148	72%	0.717	77%	0.766	S	S	*	*			cis	-179.7	144.3	-46.7	-138.1	80.1	0	0	0	105.8
292	E	27.4	Very low	30	Very low	145 Å²	145	144.8 Å²	144.8	68%	0.678	76%	0.761	S	S	*	*			trans	164.8	109.7	147.1	-92.2	-61.6	95.7	0	0	105.1
293	L	28.6	Very low	29.9	Very low	130 Å²	130	145.8 Å²	145.8	68%	0.681	76%	0.758	S	S	*	*				67.5	125	71.4	-153.5	56.7	0	0	0	110.3
294	I	25.9	Very low	30.1	Very low	162 Å²	162	145.8 Å²	145.8	83%	0.831	75%	0.747	S	S	*	*				-140.2	146.9	74	-75.6	161.1	0	0	0	112.9
295	R	28.6	Very low	30.2	Very low	202 Å²	202	147.4 Å²	147.4	76%	0.762	74%	0.739	S	S	*	*			trans	-145.5	142.8	164.5	-171.6	-171.8	-174.2	-173.6	5.7	109.9
296	T	29.6	Very low	30.8	Very low	110 Å²	110	145.3 Å²	145.3	68%	0.675	73%	0.732	S	S	*	*			trans	143.2	115.6	137.1	53.7	0	0	0	0	113.3
297	R	30.2	Very low	30.8	Very low	222 Å²	222	146.1 Å²	146.1	84%	0.838	73%	0.733	S	S	*	*				96.4	-171.9	97.7	-68.1	179.8	156.2	-165.9	-4.4	111.9
298	P	47.7	Very low	31	Very low	114 Å²	114	142.9 Å²	142.9	74%	0.74	73%	0.727	S	S	*	*				-136.6	-156.9	-107.4	40.3	-17.2	0	0	0	114.3
299	V	29.3	Very low	30.9	Very low	122 Å²	122	142.9 Å²	142.9	74%	0.739	73%	0.727	S	S	*	*			trans	139.1	121	139.8	167.3	0	0	0	0	115.5
300	H	31.4	Very low	30.9	Very low	155 Å²	155	144.8 Å²	144.8	72%	0.718	73%	0.731	S	S	*	*			trans	46.7	164.6	145.9	-87.3	5.4	0	0	0	123.9
301	H	32.2	Very low	31.1	Very low	151 Å²	151	143.1 Å²	143.1	70%	0.699	73%	0.728	S	S	*	*			cis	-166.6	-172.7	-27.9	-132.3	10.1	0	0	0	111.3
302	Q	30	Very low	31.7	Very low	175 Å²	175	142.3 Å²	142.3	82%	0.818	73%	0.731	S	S	*	*			trans	86.1	146.6	161.8	-60.3	-161.5	10.5	0	0	118.9
303	N	29.7	Very low	32	Very low	127 Å²	127	142.4 Å²	142.4	68%	0.679	74%	0.736	S	S	*	*			cis	-167.6	169.2	-29.2	-164.4	11.6	0	0	0	110.1
304	Q	32	Very low	32.8	Very low	152 Å²	152	142 Å²	142	71%	0.71	74%	0.741	S	S	*	*			trans	75	141.4	164.1	-56.6	-176.9	75.9	0	0	116.9
305	N	30.9	Very low	33	Very low	105 Å²	105	142.5 Å²	142.5	56%	0.561	74%	0.739	S	S	*	*			cis	-158.5	140.3	-9.2	-107.8	-15.4	0	0	0	111.9
306	Q	34.3	Very low	34	Very low	157 Å²	157	138.5 Å²	138.5	73%	0.734	74%	0.74	S	S	*	*				43.6	144.8	126.3	-58.8	-176.5	69.8	0	0	121.7
307	T	29.4	Very low	34	Very low	114 Å²	114	138 Å²	138	70%	0.699	75%	0.746	S	S	*	*			cis	-169.4	156.7	0.6	19.8	0	0	0	0	113.9
308	S	31.1	Very low	34	Very low	96 Å²	96	132.7 Å²	132.7	67%	0.671	74%	0.743	S	S	*	*			trans	63.8	106.1	138.8	68.7	0	0	0	0	125.4
309	S	31.3	Very low	33.2	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	74%	0.74	S	S	*	*				55.8	142.4	118.2	69.3	0	0	0	0	126.2
310	H	30.1	Very low	33.3	Very low	182 Å²	182	131 Å²	131	84%	0.843	74%	0.74	S	S	*	*			trans	87.3	118.6	149.8	-76	-60.4	0	0	0	121.9
311	D	34.7	Very low	33.4	Very low	148 Å²	148	129.8 Å²	129.8	79%	0.791	74%	0.743	S	S	*	*			trans	-61.8	162.7	149.4	-55.5	-80.6	0	0	0	111.8
312	P	41	Very low	33.4	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	75%	0.748	S	S	*	*			cis	-140.5	-177.1	26.1	42.9	-23.5	0	0	0	118.1
313	D	34.9	Very low	33.6	Very low	147 Å²	147	126 Å²	126	79%	0.786	75%	0.746	S	S	*	*			trans	-44.2	145.7	168.6	-86.3	-53.1	0	0	0	115
314	P	44.1	Very low	33.8	Very low	120 Å²	120	125 Å²	125	78%	0.779	75%	0.749	S	S	*	*				-150.6	175	76.2	40.3	-20.8	0	0	0	119.2
315	H	29.6	Very low	34.1	Very low	174 Å²	174	122.2 Å²	122.2	81%	0.806	75%	0.747	S	S	*	*			trans	-50	170.5	166.5	-60.4	-48.3	0	0	0	115.4
316	P	49.8	Very low	34.1	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	76%	0.758	S	S	*	*			cis	-149.1	-177.2	24.1	44.8	-24.7	0	0	0	119.6
317	A	29.6	Very low	34.1	Very low	99 Å²	99	120.6 Å²	120.6	82%	0.818	76%	0.762	S	S	*	*			trans	66.6	153.5	156.1	0	0	0	0	0	118.3
318	S	32	Very low	34.2	Very low	111 Å²	111	120.9 Å²	120.9	78%	0.776	77%	0.769	S	S	*	*			cis	-154	166	-16.7	56.5	0	0	0	0	107.3
319	S	30.8	Very low	34.1	Very low	96 Å²	96	120.8 Å²	120.8	67%	0.671	77%	0.774	S	S	*	*			cis	-177.7	156.8	47	46.8	0	0	0	0	111.7
320	S	31.5	Very low	33.9	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	78%	0.777	S	S	*	*			trans	49.2	134.3	146.1	72.2	0	0	0	0	120.6
321	V	31.6	Very low	34.5	Very low	129 Å²	129	116.8 Å²	116.8	78%	0.782	77%	0.77	S	S	*	*			cis	-152.6	176.5	18.8	-74.4	0	0	0	0	109.4
322	V	32.4	Very low	34.2	Very low	133 Å²	133	116 Å²	116	81%	0.806	77%	0.77	S	S	*	*			cis	-143.7	176	-0.3	-127.8	0	0	0	0	109.7
323	S	34.6	Very low	33.6	Very low	113 Å²	113	114.2 Å²	114.2	79%	0.79	77%	0.765	S	S	*	*			trans	-69	171.2	165.4	-30.7	0	0	0	0	113.2
324	S	35.2	Very low	33.3	Very low	106 Å²	106	118.2 Å²	118.2	74%	0.741	77%	0.769	S	S	*	*			cis	-147.2	-159.3	2.5	58.3	0	0	0	0	108.6
325	S	36.6	Very low	32.4	Very low	94 Å²	94	118.3 Å²	118.3	66%	0.657	77%	0.768	S	S	*	*			cis	-173.6	156.6	2.8	21.6	0	0	0	0	106.9
326	T	31.2	Very low	32.4	Very low	129 Å²	129	114.8 Å²	114.8	79%	0.791	76%	0.763	S	S	*	*			cis	-172.4	147.9	-8.2	25.4	0	0	0	0	108.6
327	A	34.3	Very low	31.4	Very low	100 Å²	100	117.6 Å²	117.6	83%	0.826	77%	0.766	S	S	*	*			trans	56.5	143.1	147.5	0	0	0	0	0	121.7
328	S	31.2	Very low	31.3	Very low	119 Å²	119	118.4 Å²	118.4	83%	0.832	76%	0.76	S	S	*	*			cis	-170.6	-177.4	-16	-162.9	0	0	0	0	110.8
329	A	30.3	Very low	31.2	Very low	94 Å²	94	122.3 Å²	122.3	78%	0.777	77%	0.766	S	S	*	*			trans	77.8	103.3	159.3	0	0	0	0	0	119.9
330	A	26	Very low	31.3	Very low	93 Å²	93	125 Å²	125	77%	0.769	77%	0.773	S	S	*	*			trans	-90.6	-158.7	150.3	0	0	0	0	0	108.4
331	P	42.3	Very low	31.4	Very low	106 Å²	106	125.6 Å²	125.6	69%	0.688	77%	0.774	S	S	*	*			cis	-147.1	172.5	21.7	43.3	-21.8	0	0	0	119.3
332	T	29.7	Very low	31.2	Very low	132 Å²	132	122.5 Å²	122.5	81%	0.81	77%	0.769	S	S	*	*			trans	48.2	142	144.6	51.7	0	0	0	0	121.8
333	A	28.3	Very low	31.4	Very low	81 Å²	81	122 Å²	122	67%	0.669	77%	0.768	S	S	*	*			cis	166.1	-179.6	2.3	0	0	0	0	0	108.1
334	R	27.8	Very low	31.1	Very low	231 Å²	231	125 Å²	125	87%	0.872	78%	0.775	S	S	*	*			trans	82.1	122.3	159.2	-68.4	-172.7	-176.5	-137	-0.2	120.2
335	T	26.4	Very low	30.7	Very low	123 Å²	123	125.4 Å²	125.4	76%	0.755	77%	0.773	S	S	*	*			trans	28.9	143.2	130.6	63.8	0	0	0	0	119.7
336	S	29.8	Very low	30.3	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	78%	0.775	S	S	*	*			cis	-157.3	157.1	38.8	-47	0	0	0	0	115.5
337	E	27.3	Very low	30.4	Very low	176 Å²	176	127.6 Å²	127.6	82%	0.822	77%	0.774	S	S	*	*			trans	14.2	142	138	-68	-176.1	118.7	0	0	124.2
338	V	28.5	Very low	30	Very low	116 Å²	116	126.4 Å²	126.4	70%	0.703	76%	0.764	S	S	*	*			trans	61.5	105.8	141.5	-179.7	0	0	0	0	119.1
339	Q	29.6	Very low	30.1	Very low	194 Å²	194	127.1 Å²	127.1	91%	0.907	76%	0.763	S	S	*	*				-161	153.3	119.3	-110.7	145.1	105.5	0	0	113.3
340	N	32.4	Very low	30	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	77%	0.766	S	S	*	*			trans	-126.2	126.2	179.6	177.5	33.2	0	0	0	108.7
341	P	33.5	Very low	30.2	Very low	116 Å²	116	134.9 Å²	134.9	75%	0.753	77%	0.772	S	S	*	*			trans	-101.4	136.8	169.2	34.1	-27.2	0	0	0	112.3
342	G	28.5	Very low	29.6	Very low	64 Å²	64	136 Å²	136	66%	0.66	78%	0.783	S	S	*	*			trans	-75.5	-175.8	174.5	0	0	0	0	0	114.4
343	P	36.3	Very low	29.6	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	78%	0.783	S	S	*	*			trans	-77	159.5	-170.7	32.3	-36.6	0	0	0	114.1
344	L	27.7	Very low	29.7	Very low	178 Å²	178	137 Å²	137	93%	0.932	79%	0.79	S	S	*	*			trans	-103.6	164.2	164.1	-73.4	171.1	0	0	0	110.7
345	T	28.1	Very low	30	Very low	114 Å²	114	134.9 Å²	134.9	70%	0.699	79%	0.79	S	S	*	*			trans	-141.7	143.4	-146.2	-63	0	0	0	0	111.8
346	E	26.3	Very low	30.4	Very low	150 Å²	150	136 Å²	136	70%	0.701	79%	0.791	S	S	*	*			trans	64	164.2	172.3	-75.4	-40.3	105.5	0	0	117.3	A348	E346-A348 PolarHBondContact OE2-N 3Å
347	P	34.7	Very low	30.6	Very low	118 Å²	118	136.2 Å²	136.2	77%	0.766	79%	0.791	S	S	*	*			cis	-114.2	150.5	6.6	39.5	-28.1	0	0	0	117.2
348	A	26.5	Very low	31	Very low	76 Å²	76	134 Å²	134	63%	0.628	79%	0.792	S	S	*	*			trans	-64.1	158.2	164.9	0	0	0	0	0	114.1	E346	E346-A348 PolarHBondContact OE2-N 3Å
349	V	31.3	Very low	31.5	Very low	133 Å²	133	138.1 Å²	138.1	81%	0.806	80%	0.803	S	S	*	*			trans	-136.7	113.8	162.2	-176.9	0	0	0	0	108.2
350	E	28.6	Very low	31.8	Very low	180 Å²	180	132.1 Å²	132.1	84%	0.841	79%	0.793	S	S	*	*			trans	-78.3	135.6	172.4	-62.2	-173.5	123	0	0	111
351	L	31	Very low	31.7	Very low	170 Å²	170	131.5 Å²	131.5	89%	0.89	80%	0.799	S	S	*	*			trans	-142.5	122.5	154.1	-80.4	-176.9	0	0	0	110
352	S	29.4	Very low	32.1	Very low	131 Å²	131	136.1 Å²	136.1	92%	0.916	80%	0.802	S	S	*	*			trans	-75.3	143.8	-177	-35.1	0	0	0	0	112
353	G	29.8	Very low	32.7	Very low	80 Å²	80	139.8 Å²	139.8	83%	0.825	80%	0.802	S	S	*	*			trans	-166.8	73.4	-177.2	0	0	0	0	0	113.7	Q355	G353-Q355 PolarHBondContact O-N 2.88Å
354	D	29.9	Very low	33.2	Very low	152 Å²	152	138.4 Å²	138.4	81%	0.813	79%	0.793	S	S	*	*			trans	-67	120.7	178.9	-149.1	-30.2	0	0	0	112.1
355	Q	35.3	Very low	34	Very low	188 Å²	188	135.5 Å²	135.5	88%	0.879	78%	0.778	S	S	*	*			trans	-158.6	140.2	150.7	-77.5	-150.2	59.6	0	0	111.3	G353	G353-Q355 PolarHBondContact O-N 2.88Å
356	N	34	Very low	34.8	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-78	154.9	-179.5	-103.8	-92.3	0	0	0	113.6
357	P	34.7	Very low	35.9	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-90.5	147.8	-170.5	35	-35.3	0	0	0	114.7
358	P	34.8	Very low	36.8	Very low	130 Å²	130	135.3 Å²	135.3	84%	0.844	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-84.6	136.3	158.1	33.7	-30.8	0	0	0	110.8
359	Q	38.8	Very low	38.1	Very low	201 Å²	201	135.7 Å²	135.7	94%	0.939	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-88.2	131.2	-164.4	-153.5	145.5	-2.9	0	0	114.4
360	G	37	Very low	39.5	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	75%	0.745	S	S	*	*			trans	92.8	104.9	146.7	0	0	0	0	0	119.1
361	C	29.9	Very low	41.2	Very low	139 Å²	139	134.1 Å²	134.1	94%	0.939	73%	0.731	S	S	*	*			trans	-117.8	144.7	149.8	-80.5	0	0	0	0	108.7
362	R	41.4	Very low	42.7	Very low	214 Å²	214	131.3 Å²	131.3	81%	0.808	71%	0.713	S	S	*	*			trans	-106.8	159.6	-168.3	-70.2	179.5	172.8	-175.2	-2.7	113.6
363	E	41.2	Very low	44	Very low	141 Å²	141	130.2 Å²	130.2	66%	0.659	70%	0.695	S	S	*	*			trans	-39.1	142.1	176	-74.6	-62.9	115.5	0	0	116	D365	E363-D365 PolarHBondContact O-N 3.4Å
364	P	47	Very low	45.1	Very low	92 Å²	92	131.3 Å²	131.3	60%	0.597	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-25.1	-170.2	27.7	-35.5	0	0	0	115.1	Q366 V367	P364-Q366 PolarHBondContact O-N 3.38Å; P364-V367 WeakPolarHBondContact O-CB 3.49Å; P364-V367 PolarHBondContact O-N 3.07Å
365	D	43.7	Very low	46.2	Very low	117 Å²	117	131.7 Å²	131.7	63%	0.626	68%	0.676	S	S	*	*	H	α-helix	trans	-62.7	-26.6	-175.5	-86	-30	0	0	0	113.7	E363 V367 R368	E363-D365 PolarHBondContact O-N 3.4Å; D365-V367 PolarHBondContact O-N 3.17Å; D365-R368 PolarHBondContact O-N 3.15Å
366	Q	44.5	Very low	46.9	Very low	108 Å²	108	130.9 Å²	130.9	51%	0.505	66%	0.664	S	S	.	*	H	α-helix	trans	-60.8	-29.2	174.5	-78.7	169	68.1	0	0	112.6	P364 R370	P364-Q366 PolarHBondContact O-N 3.38Å; Q366-R370 WeakPolarHBondContact O-CB 3.31Å; Q366-R370 PolarHBondContact O-N 2.81Å
367	V	49.5	Very low	47.4	Very low	90 Å²	90	128.5 Å²	128.5	55%	0.545	65%	0.652	S	S	.	*	H	α-helix	trans	-69.8	-40.6	-178.7	-175.2	0	0	0	0	111.2	P364 D365 R370 I371	P364-V367 WeakPolarHBondContact O-CB 3.49Å; P364-V367 PolarHBondContact O-N 3.07Å; D365-V367 PolarHBondContact O-N 3.17Å; V367-R370 WeakPolarHBondContact O-CB 3.5Å; V367-R370 PolarHBondContact O-N 2.89Å; V367-I371 HydrophobicContact CG1-CD1 4.03Å; V367-I371 WeakPolarHBondContact O-CG1 3.47Å; V367-I371 PolarHBondContact O-N 3.23Å
368	R	54.4	Low	47.9	Very low	180 Å²	180	130.5 Å²	130.5	68%	0.679	66%	0.656	S	S	*	*	H	α-helix	trans	-65	-43.7	-178.8	-167.4	175.6	-173.4	171.6	0.9	111.4	D365 I371 Q372	D365-R368 PolarHBondContact O-N 3.15Å; R368-I371 PolarHBondContact O-N 3.14Å; R368-Q372 PolarHBondContact O-N 3.44Å
369	T	54.3	Low	48.5	Very low	84 Å²	84	132.5 Å²	132.5	52%	0.515	65%	0.654	S	S	.	*	H	α-helix	trans	-65.8	-40.2	175.4	-50.3	0	0	0	0	111.6	I371 Q372 M373	T369-I371 VanDerWaalsContact C-N 3.34Å; T369-I371 PolarHBondContact O-N 3.32Å; T369-Q372 PolarHBondContact O-N 3.46Å; T369-Q372 VanDerWaalsContact O-N 3.14Å; T369-M373 PolarHBondContact O-N 3.18Å
370	R	60.2	Low	48.8	Very low	174 Å²	174	131.4 Å²	131.4	66%	0.657	65%	0.649	S	S	*	*	H	α-helix	trans	-59	-43.5	175.8	-157.8	78	179	-160.3	3.3	112.2	Q366 V367 Q372 M373 L374	Q366-R370 WeakPolarHBondContact O-CB 3.31Å; Q366-R370 PolarHBondContact O-N 2.81Å; V367-R370 WeakPolarHBondContact O-CB 3.5Å; V367-R370 PolarHBondContact O-N 2.89Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 2.84Å; R370-M373 PolarHBondContact O-N 2.95Å; R370-L374 HydrophobicContact CG-CD1 4.2Å; R370-L374 WeakPolarHBondContact O-CG 3.22Å; R370-L374 PolarHBondContact O-N 3.16Å
371	I	63.6	Low	48.8	Very low	106 Å²	106	134.1 Å²	134.1	54%	0.544	65%	0.647	S	S	.	*	H	α-helix	trans	-65	-35.4	177.2	-68.3	166	0	0	0	111.3	V367 R368 T369 K375	V367-I371 HydrophobicContact CG1-CD1 4.03Å; V367-I371 WeakPolarHBondContact O-CG1 3.47Å; V367-I371 PolarHBondContact O-N 3.23Å; R368-I371 PolarHBondContact O-N 3.14Å; T369-I371 VanDerWaalsContact C-N 3.34Å; T369-I371 PolarHBondContact O-N 3.32Å; I371-K375 WeakPolarHBondContact O-CB 3.32Å; I371-K375 PolarHBondContact O-N 3.13Å
372	Q	62.4	Low	49.4	Very low	111 Å²	111	133 Å²	133	52%	0.519	64%	0.638	S	S	.	*	H	α-helix	trans	-75.6	-26.3	177.1	-71.8	-173.8	-7.3	0	0	114.3	R368 T369 R370	R368-Q372 PolarHBondContact O-N 3.44Å; T369-Q372 PolarHBondContact O-N 3.46Å; T369-Q372 VanDerWaalsContact O-N 3.14Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 2.84Å
373	M	58.4	Low	49.3	Very low	108 Å²	108	130.6 Å²	130.6	53%	0.532	64%	0.64	S	S	.	*	H	α-helix	trans	-72	-54.6	169.3	-72.1	-177.7	69.2	0	0	111	T369 R370 K375 R376 D377	T369-M373 PolarHBondContact O-N 3.18Å; R370-M373 PolarHBondContact O-N 2.95Å; M373-K375 PolarHBondContact O-N 3.27Å; M373-R376 WeakPolarHBondContact O-CA 3.44Å; M373-R376 PolarHBondContact O-N 3.01Å; M373-D377 VanDerWaalsContact O-CG 3.28Å; M373-D377 PolarHBondContact O-N 3.24Å
374	L	51.8	Low	49.2	Very low	103 Å²	103	129.5 Å²	129.5	54%	0.539	64%	0.643	S	S	.	*	H	α-helix	trans	-56.8	-24.1	-177.7	-71.1	169.1	0	0	0	113.7	R370	R370-L374 HydrophobicContact CG-CD1 4.2Å; R370-L374 WeakPolarHBondContact O-CG 3.22Å; R370-L374 PolarHBondContact O-N 3.16Å
375	K	54.1	Low	48.7	Very low	160 Å²	160	130.1 Å²	130.1	70%	0.696	64%	0.641	S	S	*	*	H	α-helix	trans	-81.1	-20.8	175.8	-148.9	179.9	-175.8	-170.1	0	114.1	I371 M373	I371-K375 WeakPolarHBondContact O-CB 3.32Å; I371-K375 PolarHBondContact O-N 3.13Å; M373-K375 PolarHBondContact O-N 3.27Å
376	R	49.6	Very low	48.8	Very low	171 Å²	171	129.5 Å²	129.5	65%	0.645	64%	0.644	S	S	*	*	H	α-helix	trans	-86.5	-41.6	171.3	-70.6	-175.4	172.1	104.4	-9	111.5	M373 L378 E379	M373-R376 WeakPolarHBondContact O-CA 3.44Å; M373-R376 PolarHBondContact O-N 3.01Å; R376-L378 PolarHBondContact O-N 2.74Å; R376-L378 VanDerWaalsContact O-N 3.15Å; R376-E379 PolarHBondContact O-N 3Å; R376-E379 VanDerWaalsContact O-N 3.11Å
377	D	44.2	Very low	49.1	Very low	95 Å²	95	132.1 Å²	132.1	51%	0.508	66%	0.656	S	S	.	*	H	α-helix	trans	-57.8	-30.9	-179.8	-55	-29.7	0	0	0	112.1	M373	M373-D377 VanDerWaalsContact O-CG 3.28Å; M373-D377 PolarHBondContact O-N 3.24Å
378	L	44.7	Very low	49.4	Very low	148 Å²	148	136 Å²	136	78%	0.775	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-18.1	-178.7	-165.5	63.7	0	0	0	114.5	R376	R376-L378 PolarHBondContact O-N 2.74Å; R376-L378 VanDerWaalsContact O-N 3.15Å
379	E	48.3	Very low	49.9	Very low	173 Å²	173	129 Å²	129	81%	0.808	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-6.9	-177.2	-64.9	-165.6	154.1	0	0	113.8	R376	R376-E379 PolarHBondContact O-N 3Å; R376-E379 VanDerWaalsContact O-N 3.11Å
380	Q	44.8	Very low	50.6	Low	177 Å²	177	129.1 Å²	129.1	83%	0.827	64%	0.641	S	S	*	*	S	Bend	trans	-107.3	-2.3	-175.8	-66.1	-164.9	-10.9	0	0	115.7
381	N	38	Very low	50.9	Low	126 Å²	126	121.2 Å²	121.2	67%	0.674	61%	0.612	S	S	*	*	S	Bend	trans	-136.2	103	-173.7	-153.5	-14.7	0	0	0	113.8	L383	N381-L383 PolarHBondContact O-N 3.07Å; N381-L383 VanDerWaalsContact O-N 3.11Å
382	P	41	Very low	50.9	Low	115 Å²	115	119.7 Å²	119.7	75%	0.747	61%	0.611	S	S	*	*			trans	-80.8	92.5	-171.9	31.5	-35.1	0	0	0	114	V384	P382-V384 PolarHBondContact O-N 3.45Å
383	L	40.7	Very low	51.2	Low	163 Å²	163	118.2 Å²	118.2	85%	0.853	61%	0.613	S	S	*	*			trans	35.7	69.9	153.6	-65.8	178.5	0	0	0	117.5	N381 L385	N381-L383 PolarHBondContact O-N 3.07Å; N381-L383 VanDerWaalsContact O-N 3.11Å; L383-L385 PolarHBondContact O-N 3.23Å
384	V	38.6	Very low	51.8	Low	119 Å²	119	113.4 Å²	113.4	72%	0.721	59%	0.59	S	S	*	*			trans	-71.1	123.9	156.9	-179.2	0	0	0	0	108.3	P382	P382-V384 PolarHBondContact O-N 3.45Å
385	L	36.2	Very low	52.7	Low	104 Å²	104	113.1 Å²	113.1	55%	0.545	59%	0.594	S	S	.	*			trans	-65.5	149	171.2	-94.8	76.2	0	0	0	109.7	L383 Q387	L383-L385 PolarHBondContact O-N 3.23Å; L385-Q387 PolarHBondContact O-N 3.35Å
386	P	44.9	Very low	54	Low	105 Å²	105	107.6 Å²	107.6	68%	0.682	58%	0.575	S	S	*	*			trans	-64.1	96.4	175.7	27.4	-34.5	0	0	0	110
387	Q	50.9	Low	55.6	Low	162 Å²	162	101.4 Å²	101.4	76%	0.757	56%	0.556	S	S	*	*			trans	-66.4	132.8	166	-66	-176.3	-0.4	0	0	107.4	L385 L389	L385-Q387 PolarHBondContact O-N 3.35Å; Q387-L389 PolarHBondContact O-N 3.15Å
388	Q	56.2	Low	57.5	Low	173 Å²	173	103.8 Å²	103.8	81%	0.808	56%	0.564	S	S	*	*			trans	-65.4	118.6	171.5	-66.1	175.7	-94	0	0	107.4	D390	Q388-D390 VanDerWaalsContact C-N 3.34Å; Q388-D390 PolarHBondContact O-N 2.95Å
389	L	64.6	Low	59.3	Low	33 Å²	33	101.2 Å²	101.2	17%	0.173	55%	0.549	C	S	.	.			trans	-73	93.9	176.3	-79.8	166.4	0	0	0	109.1	Q387 L391 L403 V407	Q387-L389 PolarHBondContact O-N 3.15Å; L389-L391 VanDerWaalsContact C-N 3.34Å; L389-L391 HydrophobicContact CB-CD2 4.37Å; L389-L391 PolarHBondContact O-N 3.37Å; L389-L403 HydrophobicContact CD1-CD1 3.76Å; L389-L403 HydrophobicContact CD2-CD1 3.59Å; L389-L403 HydrophobicContact CD2-CD2 4.49Å; L389-L403 HydrophobicContact CG-CD1 4.35Å; L389-V407 HydrophobicContact CD1-CG1 3.52Å
390	D	69.4	Low	61	Low	85 Å²	85	93.1 Å²	93.1	46%	0.455	51%	0.511	S	S	.	.			trans	-64.9	98	164.7	172.9	41.3	0	0	0	108.8	Q388 S392 S393	Q388-D390 VanDerWaalsContact C-N 3.34Å; Q388-D390 PolarHBondContact O-N 2.95Å; D390-S392 PolarHBondContact O-N 3.07Å; D390-S392 VanDerWaalsContact OD1-CB 3.26Å; D390-S392 WeakPolarHBondContact OD1-CB 3.46Å; D390-S392 PolarHBondContact OD1-N 2.91Å; D390-S392 PolarHBondContact OD1-OG 3.08Å; D390-S392 VanDerWaalsContact OD2-CB 3.27Å; D390-S392 WeakPolarHBondContact OD2-CB 3.34Å; D390-S393 WeakPolarHBondContact O-CB 3.1Å; D390-S393 PolarHBondContact O-N 2.83Å; D390-S393 PolarHBondContact O-OG 2.85Å; D390-S393 PolarHBondContact OD2-N 3.36Å
391	L	67.3	Low	63.1	Low	8 Å²	8	87.3 Å²	87.3	4%	0.042	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.1	-179.7	-59.7	-176.5	0	0	0	112.5	L389 S393 V394 L400 R415 L430 R434	L389-L391 VanDerWaalsContact C-N 3.34Å; L389-L391 HydrophobicContact CB-CD2 4.37Å; L389-L391 PolarHBondContact O-N 3.37Å; L391-S393 VanDerWaalsContact C-N 3.27Å; L391-S393 PolarHBondContact O-N 2.81Å; L391-V394 PolarHBondContact O-N 3.27Å; L391-L400 HydrophobicContact CD2-CD1 4.37Å; L391-L400 HydrophobicContact CD2-CD2 4.49Å; L391-R415 VanDerWaalsContact CD1-CZ 3.46Å; L391-L430 HydrophobicContact CD1-CB 4.46Å; L391-L430 HydrophobicContact CD1-CD2 4.45Å; L391-R434 HydrophobicContact CB-CB 4.42Å; L391-R434 HydrophobicContact CB-CG 4.23Å; L391-R434 WeakPolarHBondContact O-CD 3.46Å; L391-R434 WeakPolarHBondContact O-CG 3.44Å; L391-R434 PolarHBondContact O-NH1 3.07Å
392	S	62.8	Low	65.3	Low	75 Å²	75	85.8 Å²	85.8	52%	0.524	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-35.6	171.2	-33.2	0	0	0	0	111.8	D390 R434	D390-S392 PolarHBondContact O-N 3.07Å; D390-S392 VanDerWaalsContact OD1-CB 3.26Å; D390-S392 WeakPolarHBondContact OD1-CB 3.46Å; D390-S392 PolarHBondContact OD1-N 2.91Å; D390-S392 PolarHBondContact OD1-OG 3.08Å; D390-S392 VanDerWaalsContact OD2-CB 3.27Å; D390-S392 WeakPolarHBondContact OD2-CB 3.34Å; S392-R434 VanDerWaalsContact C-NH1 3.34Å; S392-R434 VanDerWaalsContact O-CZ 3.24Å; S392-R434 PolarHBondContact O-NH1 2.81Å; S392-R434 PolarHBondContact O-NH2 2.84Å
393	S	68.8	Low	67.3	Low	80 Å²	80	83.3 Å²	83.3	56%	0.559	46%	0.463	S	S	*	.	S	Bend	trans	-75.3	-19.6	-178.2	71.4	0	0	0	0	115.1	D390 L391 P395	D390-S393 WeakPolarHBondContact O-CB 3.1Å; D390-S393 PolarHBondContact O-N 2.83Å; D390-S393 PolarHBondContact O-OG 2.85Å; D390-S393 PolarHBondContact OD2-N 3.36Å; L391-S393 VanDerWaalsContact C-N 3.27Å; L391-S393 PolarHBondContact O-N 2.81Å; S393-P395 WeakPolarHBondContact O-CD 3.3Å
394	V	71.7	Confident	69.4	Low	7 Å²	7	76.7 Å²	76.7	4%	0.042	43%	0.434	C	S	.	.			trans	-104.2	107.7	-172.9	-171.3	0	0	0	0	111.9	L391 Q399 L400 R434	L391-V394 PolarHBondContact O-N 3.27Å; V394-Q399 HydrophobicContact CG1-CB 3.65Å; V394-Q399 HydrophobicContact CG1-CG 3.72Å; V394-L400 HydrophobicContact CB-CD1 3.7Å; V394-L400 HydrophobicContact CG1-CD1 3.38Å; V394-L400 HydrophobicContact CG2-CD1 4.1Å; V394-R434 PolarHBondContact O-NH1 2.86Å
395	P	70.3	Confident	71.5	Confident	96 Å²	96	74.8 Å²	74.8	62%	0.623	42%	0.419	S	S	*	.			trans	-83.2	-10.8	-172.5	33.2	-38	0	0	0	115.3	S393	S393-P395 WeakPolarHBondContact O-CD 3.3Å
396	S	81.6	Confident	73.8	Confident	44 Å²	44	74.8 Å²	74.8	31%	0.308	42%	0.417	S	S	.	.			trans	-135.3	142.9	-173.4	178.4	0	0	0	0	113.4	Q398 Q399 L400	S396-Q398 VanDerWaalsContact C-N 3.29Å; S396-Q398 PolarHBondContact O-N 3.33Å; S396-Q398 PolarHBondContact OG-N 2.74Å; S396-Q399 PolarHBondContact O-N 3.07Å; S396-L400 PolarHBondContact O-N 3.21Å
397	V	83.8	Confident	75.9	Confident	42 Å²	42	72.9 Å²	72.9	26%	0.255	40%	0.403	S	S	.	.	H	α-helix	trans	-58.5	-40.6	173.6	-177.3	0	0	0	0	111.1	Q399 L400 E401 A427 F431	V397-Q399 PolarHBondContact O-N 3.45Å; V397-L400 CarbonylContact O-C 3.58Å; V397-L400 WeakPolarHBondContact O-CA 3.4Å; V397-L400 VanDerWaalsContact O-CB 3.29Å; V397-L400 WeakPolarHBondContact O-CB 3.32Å; V397-L400 PolarHBondContact O-N 3.01Å; V397-E401 WeakPolarHBondContact O-CG 3.33Å; V397-E401 PolarHBondContact O-N 2.85Å; V397-A427 HydrophobicContact CG1-CB 3.7Å; V397-F431 HydrophobicContact CG2-CB 4.02Å; V397-F431 HydrophobicContact CG2-CD1 3.89Å; V397-F431 HydrophobicContact CG2-CD2 4.23Å; V397-F431 HydrophobicContact CG2-CE1 4.41Å; V397-F431 HydrophobicContact CG2-CG 3.78Å
398	Q	84.3	Confident	77.6	Confident	144 Å²	144	65.2 Å²	65.2	67%	0.673	37%	0.367	S	S	*	.	H	α-helix	trans	-61.8	-31	178.7	-67.6	173.8	-17.8	0	0	112.6	S396 E401 S402	S396-Q398 VanDerWaalsContact C-N 3.29Å; S396-Q398 PolarHBondContact O-N 3.33Å; S396-Q398 PolarHBondContact OG-N 2.74Å; Q398-E401 WeakPolarHBondContact O-CB 3.15Å; Q398-E401 PolarHBondContact O-N 2.86Å; Q398-S402 PolarHBondContact O-N 3.07Å
399	Q	82.5	Confident	79.2	Confident	95 Å²	95	60 Å²	60	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-73.7	-35.8	175.1	-171.8	174.9	-0.5	0	0	111.2	V394 S396 V397 E401 S402	V394-Q399 HydrophobicContact CG1-CB 3.65Å; V394-Q399 HydrophobicContact CG1-CG 3.72Å; S396-Q399 PolarHBondContact O-N 3.07Å; V397-Q399 PolarHBondContact O-N 3.45Å; Q399-E401 VanDerWaalsContact C-N 3.33Å; Q399-S402 PolarHBondContact O-N 2.73Å; Q399-S402 PolarHBondContact O-OG 2.83Å
400	L	83.6	Confident	80.2	Confident	2 Å²	2	63 Å²	63	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-42.4	166.7	-104.6	61.1	0	0	0	111.6	L391 V394 S396 V397 S402 L403 L408 A427 L430 F431	L391-L400 HydrophobicContact CD2-CD1 4.37Å; L391-L400 HydrophobicContact CD2-CD2 4.49Å; V394-L400 HydrophobicContact CB-CD1 3.7Å; V394-L400 HydrophobicContact CG1-CD1 3.38Å; V394-L400 HydrophobicContact CG2-CD1 4.1Å; S396-L400 PolarHBondContact O-N 3.21Å; V397-L400 CarbonylContact O-C 3.58Å; V397-L400 WeakPolarHBondContact O-CA 3.4Å; V397-L400 VanDerWaalsContact O-CB 3.29Å; V397-L400 WeakPolarHBondContact O-CB 3.32Å; V397-L400 PolarHBondContact O-N 3.01Å; L400-S402 VanDerWaalsContact C-N 3.29Å; L400-S402 PolarHBondContact O-N 2.96Å; L400-L403 WeakPolarHBondContact O-CB 3.35Å; L400-L403 PolarHBondContact O-N 2.7Å; L400-L408 HydrophobicContact CB-CD2 3.96Å; L400-L408 HydrophobicContact CD2-CD2 4.32Å; L400-L408 HydrophobicContact CG-CD2 3.94Å; L400-L408 WeakPolarHBondContact O-CD2 3.12Å; L400-A427 HydrophobicContact CB-CB 3.74Å; L400-A427 WeakPolarHBondContact CD2-O 3.46Å; L400-L430 HydrophobicContact CD2-CB 3.63Å; L400-L430 HydrophobicContact CD2-CD1 4.47Å; L400-F431 HydrophobicContact CD2-CB 4.42Å
401	E	87.9	Confident	81	Confident	56 Å²	56	59.3 Å²	59.3	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-59.5	-40.7	177.9	-66.2	172.8	165.9	0	0	112	V397 Q398 Q399 L403 G404 L423 S424 A427	V397-E401 WeakPolarHBondContact O-CG 3.33Å; V397-E401 PolarHBondContact O-N 2.85Å; Q398-E401 WeakPolarHBondContact O-CB 3.15Å; Q398-E401 PolarHBondContact O-N 2.86Å; Q399-E401 VanDerWaalsContact C-N 3.33Å; E401-L403 PolarHBondContact O-N 3.14Å; E401-L403 VanDerWaalsContact O-N 3.17Å; E401-G404 PolarHBondContact O-N 3.15Å; E401-G404 VanDerWaalsContact O-N 3.07Å; E401-L423 VanDerWaalsContact CA-CD2 3.48Å; E401-L423 HydrophobicContact CB-CD2 3.52Å; E401-L423 HydrophobicContact CG-CD2 3.66Å; E401-S424 VanDerWaalsContact OE1-CA 3.27Å; E401-S424 WeakPolarHBondContact OE1-CA 3.38Å; E401-S424 WeakPolarHBondContact OE1-CB 3.48Å; E401-S424 PolarHBondContact OE1-OG 3.35Å; E401-A427 HydrophobicContact CG-CB 3.57Å
402	S	84.3	Confident	82	Confident	93 Å²	93	59 Å²	59	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-62	-21.2	178.8	77.9	0	0	0	0	114.8	Q398 Q399 L400 G404	Q398-S402 PolarHBondContact O-N 3.07Å; Q399-S402 PolarHBondContact O-N 2.73Å; Q399-S402 PolarHBondContact O-OG 2.83Å; L400-S402 VanDerWaalsContact C-N 3.29Å; L400-S402 PolarHBondContact O-N 2.96Å; S402-G404 VanDerWaalsContact C-N 3.26Å; S402-G404 PolarHBondContact O-N 2.89Å
403	L	82.4	Confident	83.1	Confident	63 Å²	63	61.3 Å²	61.3	33%	0.33	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.9	176.8	-60.5	167.5	0	0	0	113.3	L389 L400 E401 V407	L389-L403 HydrophobicContact CD1-CD1 3.76Å; L389-L403 HydrophobicContact CD2-CD1 3.59Å; L389-L403 HydrophobicContact CD2-CD2 4.49Å; L389-L403 HydrophobicContact CG-CD1 4.35Å; L400-L403 WeakPolarHBondContact O-CB 3.35Å; L400-L403 PolarHBondContact O-N 2.7Å; E401-L403 PolarHBondContact O-N 3.14Å; E401-L403 VanDerWaalsContact O-N 3.17Å; L403-V407 HydrophobicContact CB-CB 4.49Å; L403-V407 HydrophobicContact CB-CG1 4.38Å; L403-V407 WeakPolarHBondContact O-CB 3.36Å; L403-V407 VanDerWaalsContact O-CG2 3.31Å; L403-V407 WeakPolarHBondContact O-CG2 3.48Å
404	G	85.6	Confident	83.8	Confident	24 Å²	24	63.7 Å²	63.7	25%	0.247	33%	0.334	C	S	.	.			trans	86.1	161.9	171.1	0	0	0	0	0	116	E401 S402 E406 V407 L408	E401-G404 PolarHBondContact O-N 3.15Å; E401-G404 VanDerWaalsContact O-N 3.07Å; S402-G404 VanDerWaalsContact C-N 3.26Å; S402-G404 PolarHBondContact O-N 2.89Å; G404-E406 VanDerWaalsContact C-N 3.35Å; G404-E406 PolarHBondContact O-N 2.62Å; G404-V407 PolarHBondContact O-N 3.22Å; G404-L408 WeakPolarHBondContact O-CG 3.4Å; G404-L408 PolarHBondContact O-N 2.91Å
405	L	82.9	Confident	84.3	Confident	80 Å²	80	67.4 Å²	67.4	42%	0.419	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-34	-165.4	-116.1	167.8	0	0	0	115.1	K409 L423 R426	L405-K409 VanDerWaalsContact O-CB 3.3Å; L405-K409 WeakPolarHBondContact O-CB 3.08Å; L405-K409 PolarHBondContact O-N 3.25Å; L405-L423 HydrophobicContact CB-CD1 4.43Å; L405-L423 HydrophobicContact CD1-CB 4.39Å; L405-L423 HydrophobicContact CD1-CD1 4.35Å; L405-L423 HydrophobicContact CD2-CB 4.43Å; L405-L423 HydrophobicContact CG-CB 3.98Å; L405-L423 HydrophobicContact CG-CD1 3.94Å; L405-L423 HydrophobicContact CG-CG 3.91Å; L405-R426 VanDerWaalsContact CD2-NH1 3.28Å
406	E	85.3	Confident	84.9	Confident	104 Å²	104	64.6 Å²	64.6	49%	0.486	34%	0.335	S	S	.	.	H	α-helix	trans	-82.9	-37.3	-175.6	-162.3	66.3	-170.2	0	0	111.5	G404 K409 E410	G404-E406 VanDerWaalsContact C-N 3.35Å; G404-E406 PolarHBondContact O-N 2.62Å; E406-K409 WeakPolarHBondContact O-CB 3.26Å; E406-K409 PolarHBondContact O-N 2.62Å; E406-K409 IonicContact OE1-NZ 3.71Å; E406-K409 PolarHBondContact OE1-NZ 3.28Å; E406-K409 VanDerWaalsContact OE2-CD 3.3Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 IonicContact OE2-NZ 2.78Å; E406-K409 PolarHBondContact OE2-NZ 3.38Å; E406-E410 PolarHBondContact O-N 2.95Å
407	V	87.9	Confident	85.2	Confident	65 Å²	65	62.6 Å²	62.6	39%	0.394	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-45.3	175.6	-177.9	0	0	0	0	110.8	L389 L403 G404 K409 E410 E411	L389-V407 HydrophobicContact CD1-CG1 3.52Å; L403-V407 HydrophobicContact CB-CB 4.49Å; L403-V407 HydrophobicContact CB-CG1 4.38Å; L403-V407 WeakPolarHBondContact O-CB 3.36Å; L403-V407 VanDerWaalsContact O-CG2 3.31Å; L403-V407 WeakPolarHBondContact O-CG2 3.48Å; G404-V407 PolarHBondContact O-N 3.22Å; V407-K409 VanDerWaalsContact C-N 3.28Å; V407-K409 PolarHBondContact O-N 3.04Å; V407-E410 PolarHBondContact O-N 2.95Å; V407-E411 PolarHBondContact O-N 2.89Å
408	L	87.4	Confident	85.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-36.8	174.1	-65.8	171	0	0	0	112	L400 G404 L412 L423 R426 A427 L430	L400-L408 HydrophobicContact CB-CD2 3.96Å; L400-L408 HydrophobicContact CD2-CD2 4.32Å; L400-L408 HydrophobicContact CG-CD2 3.94Å; L400-L408 WeakPolarHBondContact O-CD2 3.12Å; G404-L408 WeakPolarHBondContact O-CG 3.4Å; G404-L408 PolarHBondContact O-N 2.91Å; L408-L412 WeakPolarHBondContact O-CB 3.36Å; L408-L412 WeakPolarHBondContact O-CD1 3.47Å; L408-L412 VanDerWaalsContact O-CG 3.23Å; L408-L412 WeakPolarHBondContact O-CG 3.35Å; L408-L412 PolarHBondContact O-N 3.26Å; L408-L423 HydrophobicContact CD1-CD2 3.94Å; L408-L423 HydrophobicContact CD1-CG 4.25Å; L408-R426 HydrophobicContact CB-CB 4.23Å; L408-R426 HydrophobicContact CD1-CB 4.44Å; L408-A427 HydrophobicContact CD1-CB 4.24Å; L408-L430 HydrophobicContact CB-CD1 4.21Å; L408-L430 HydrophobicContact CD2-CD1 3.6Å
409	K	88.6	Confident	85.7	Confident	65 Å²	65	60.3 Å²	60.3	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-68.3	-43.5	176	170.3	-167.2	165.7	-154.2	0	111.8	L405 E406 V407 L412 M413	L405-K409 VanDerWaalsContact O-CB 3.3Å; L405-K409 WeakPolarHBondContact O-CB 3.08Å; L405-K409 PolarHBondContact O-N 3.25Å; E406-K409 WeakPolarHBondContact O-CB 3.26Å; E406-K409 PolarHBondContact O-N 2.62Å; E406-K409 IonicContact OE1-NZ 3.71Å; E406-K409 PolarHBondContact OE1-NZ 3.28Å; E406-K409 VanDerWaalsContact OE2-CD 3.3Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 IonicContact OE2-NZ 2.78Å; E406-K409 PolarHBondContact OE2-NZ 3.38Å; V407-K409 VanDerWaalsContact C-N 3.28Å; V407-K409 PolarHBondContact O-N 3.04Å; K409-L412 PolarHBondContact O-N 2.91Å; K409-M413 HydrophobicContact CG-SD 4.2Å; K409-M413 WeakPolarHBondContact O-CB 3.46Å; K409-M413 VanDerWaalsContact O-CG 3.28Å; K409-M413 WeakPolarHBondContact O-CG 3.36Å; K409-M413 PolarHBondContact O-N 3.17Å
410	E	86.1	Confident	85.9	Confident	95 Å²	95	57.6 Å²	57.6	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.9	-76.2	-169.9	-168.2	0	0	112.2	E406 V407 M413 R414	E406-E410 PolarHBondContact O-N 2.95Å; V407-E410 PolarHBondContact O-N 2.95Å; E410-M413 PolarHBondContact O-N 3.26Å; E410-R414 WeakPolarHBondContact O-CB 3.48Å; E410-R414 PolarHBondContact O-N 2.82Å
411	E	86.1	Confident	86.1	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-42.3	177.8	-167.8	64.8	-142.4	0	0	111.6	V407 R414 R415 L430	V407-E411 PolarHBondContact O-N 2.89Å; E411-R414 PolarHBondContact O-N 3.48Å; E411-R414 IonicContact OE1-NH1 3.63Å; E411-R414 IonicContact OE2-CZ 3.73Å; E411-R414 IonicContact OE2-NH1 3.93Å; E411-R414 PolarHBondContact OE2-NH1 3.09Å; E411-R414 IonicContact OE2-NH2 2.87Å; E411-R415 WeakPolarHBondContact O-CG 3.1Å; E411-R415 PolarHBondContact O-N 3.02Å; E411-R415 IonicContact OE1-CZ 2.73Å; E411-R415 VanDerWaalsContact OE1-CZ 3.28Å; E411-R415 IonicContact OE1-NE 2.74Å; E411-R415 PolarHBondContact OE1-NE 3.25Å; E411-R415 IonicContact OE1-NH2 2.7Å; E411-R415 PolarHBondContact OE1-NH2 2.87Å; E411-L430 HydrophobicContact CB-CD1 3.99Å; E411-L430 HydrophobicContact CB-CD2 4.14Å; E411-L430 HydrophobicContact CG-CD1 4.17Å; E411-L430 HydrophobicContact CG-CD2 3.72Å
412	L	89.1	Confident	86.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-45.8	172.5	-75.7	167.4	0	0	0	111.6	L408 K409 R414 R415 G416 L417 C419 R426 R429 L430	L408-L412 WeakPolarHBondContact O-CB 3.36Å; L408-L412 WeakPolarHBondContact O-CD1 3.47Å; L408-L412 VanDerWaalsContact O-CG 3.23Å; L408-L412 WeakPolarHBondContact O-CG 3.35Å; L408-L412 PolarHBondContact O-N 3.26Å; K409-L412 PolarHBondContact O-N 2.91Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 2.84Å; L412-R415 CarbonylContact O-C 3.59Å; L412-R415 PolarHBondContact O-N 3.35Å; L412-G416 PolarHBondContact O-N 3.13Å; L412-G416 VanDerWaalsContact O-N 3.11Å; L412-L417 HydrophobicContact CB-CB 4.27Å; L412-L417 HydrophobicContact CD2-CB 3.52Å; L412-L417 HydrophobicContact CD2-CD1 3.72Å; L412-L417 HydrophobicContact CD2-CG 4.26Å; L412-L417 PolarHBondContact O-N 2.85Å; L412-C419 VanDerWaalsContact CB-SG 3.51Å; L412-R426 HydrophobicContact CD1-CB 3.66Å; L412-R426 HydrophobicContact CD1-CG 3.65Å; L412-R429 HydrophobicContact CD2-CB 4.25Å; L412-L430 HydrophobicContact CD2-CD2 3.76Å; L412-L430 HydrophobicContact CD2-CG 3.68Å; L412-L430 HydrophobicContact CG-CD1 4.04Å; L412-L430 HydrophobicContact CG-CD2 3.92Å; L412-L430 HydrophobicContact CG-CG 3.76Å
413	M	86.1	Confident	86.5	Confident	124 Å²	124	58.9 Å²	58.9	61%	0.611	32%	0.322	S	S	*	.	H	α-helix	trans	-61.5	-42	177.2	-75.4	-176.6	63.3	0	0	111.8	K409 E410 R415 G416 C419	K409-M413 HydrophobicContact CG-SD 4.2Å; K409-M413 WeakPolarHBondContact O-CB 3.46Å; K409-M413 VanDerWaalsContact O-CG 3.28Å; K409-M413 WeakPolarHBondContact O-CG 3.36Å; K409-M413 PolarHBondContact O-N 3.17Å; E410-M413 PolarHBondContact O-N 3.26Å; M413-R415 VanDerWaalsContact C-N 3.29Å; M413-R415 PolarHBondContact O-N 3.5Å; M413-G416 PolarHBondContact O-N 3.04Å; M413-G416 VanDerWaalsContact O-N 3.13Å; M413-C419 WeakPolarHBondContact CG-SG 3.43Å
414	R	83	Confident	86.9	Confident	130 Å²	130	58.7 Å²	58.7	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-31.6	178.9	-160.2	-176	-52	128.5	11.1	112.6	E410 E411 L412 G416	E410-R414 WeakPolarHBondContact O-CB 3.48Å; E410-R414 PolarHBondContact O-N 2.82Å; E411-R414 PolarHBondContact O-N 3.48Å; E411-R414 IonicContact OE1-NH1 3.63Å; E411-R414 IonicContact OE2-CZ 3.73Å; E411-R414 IonicContact OE2-NH1 3.93Å; E411-R414 PolarHBondContact OE2-NH1 3.09Å; E411-R414 IonicContact OE2-NH2 2.87Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 2.84Å; R414-G416 VanDerWaalsContact C-N 3.35Å
415	R	81.5	Confident	87.2	Confident	86 Å²	86	61.1 Å²	61.1	33%	0.325	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.3	174.8	-66.3	176.1	-172.3	-105.6	-7.9	113.9	L391 E411 L412 M413 L417	L391-R415 VanDerWaalsContact CD1-CZ 3.46Å; E411-R415 WeakPolarHBondContact O-CG 3.1Å; E411-R415 PolarHBondContact O-N 3.02Å; E411-R415 IonicContact OE1-CZ 2.73Å; E411-R415 VanDerWaalsContact OE1-CZ 3.28Å; E411-R415 IonicContact OE1-NE 2.74Å; E411-R415 PolarHBondContact OE1-NE 3.25Å; E411-R415 IonicContact OE1-NH2 2.7Å; E411-R415 PolarHBondContact OE1-NH2 2.87Å; L412-R415 CarbonylContact O-C 3.59Å; L412-R415 PolarHBondContact O-N 3.35Å; M413-R415 VanDerWaalsContact C-N 3.29Å; M413-R415 PolarHBondContact O-N 3.5Å; R415-L417 VanDerWaalsContact C-N 3.27Å; R415-L417 HydrophobicContact CB-CD1 3.76Å; R415-L417 HydrophobicContact CB-CG 4.04Å; R415-L417 PolarHBondContact O-N 2.89Å
416	G	83.4	Confident	87.6	Confident	36 Å²	36	59.2 Å²	59.2	37%	0.371	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	21	-178.8	0	0	0	0	0	114.5	L412 M413 R414 A447	L412-G416 PolarHBondContact O-N 3.13Å; L412-G416 VanDerWaalsContact O-N 3.11Å; M413-G416 PolarHBondContact O-N 3.04Å; M413-G416 VanDerWaalsContact O-N 3.13Å; R414-G416 VanDerWaalsContact C-N 3.35Å; G416-A447 WeakPolarHBondContact O-CB 3.44Å; G416-A447 PolarHBondContact O-N 3.42Å
417	L	87.9	Confident	87.8	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-91.2	157	-175.3	-68.8	165.6	0	0	0	112.8	L412 R415 C419 L430 V433 I441 L445 L446	L412-L417 HydrophobicContact CB-CB 4.27Å; L412-L417 HydrophobicContact CD2-CB 3.52Å; L412-L417 HydrophobicContact CD2-CD1 3.72Å; L412-L417 HydrophobicContact CD2-CG 4.26Å; L412-L417 PolarHBondContact O-N 2.85Å; R415-L417 VanDerWaalsContact C-N 3.27Å; R415-L417 HydrophobicContact CB-CD1 3.76Å; R415-L417 HydrophobicContact CB-CG 4.04Å; R415-L417 PolarHBondContact O-N 2.89Å; L417-C419 PolarHBondContact O-N 3.02Å; L417-C419 PolarHBondContact O-SG 3.2Å; L417-L430 HydrophobicContact CD1-CD2 4.35Å; L417-V433 HydrophobicContact CD1-CB 4.33Å; L417-V433 HydrophobicContact CD1-CG1 4.26Å; L417-V433 HydrophobicContact CD1-CG2 4.08Å; L417-V433 HydrophobicContact CD2-CG2 4.25Å; L417-I441 HydrophobicContact CD2-CG2 3.79Å; L417-L445 HydrophobicContact CD2-CB 3.98Å; L417-L446 HydrophobicContact CD2-CD2 4.23Å
418	K	90.1	Very high	87.8	Confident	98 Å²	98	53 Å²	53	43%	0.426	29%	0.291	S	S	.	.			trans	-64.3	114.2	176.2	-74.1	173.5	-178.9	175.7	0	112	G420 A444 L445 L446	K418-G420 VanDerWaalsContact C-N 3.28Å; K418-G420 PolarHBondContact O-N 3.34Å; K418-A444 WeakPolarHBondContact CD-O 3.37Å; K418-A444 VanDerWaalsContact CE-O 3.22Å; K418-A444 WeakPolarHBondContact CE-O 3.42Å; K418-A444 PolarHBondContact NZ-O 2.87Å; K418-L445 WeakPolarHBondContact CG-O 2.95Å; K418-L445 PolarHBondContact N-O 2.85Å; K418-L446 WeakPolarHBondContact CE-O 3.16Å
419	C	88.6	Confident	88	Confident	39 Å²	39	55.5 Å²	55.5	26%	0.264	30%	0.3	S	S	.	.			trans	-86.4	16.8	-178.1	-59.9	0	0	0	0	115	L412 M413 L417 R426	L412-C419 VanDerWaalsContact CB-SG 3.51Å; M413-C419 WeakPolarHBondContact CG-SG 3.43Å; L417-C419 PolarHBondContact O-N 3.02Å; L417-C419 PolarHBondContact O-SG 3.2Å; C419-R426 PolarHBondContact O-NE 3.3Å; C419-R426 PolarHBondContact O-NH2 3Å
420	G	85.9	Confident	87.9	Confident	39 Å²	39	52.5 Å²	52.5	40%	0.402	29%	0.287	S	S	.	.			trans	-79.1	177.8	-179.4	0	0	0	0	0	113.6	K418 R429	K418-G420 VanDerWaalsContact C-N 3.28Å; K418-G420 PolarHBondContact O-N 3.34Å; G420-R429 PolarHBondContact O-NH1 3.49Å
421	G	88.8	Confident	87.9	Confident	40 Å²	40	51.3 Å²	51.3	41%	0.412	28%	0.281	S	S	.	.	S	Bend	trans	76.7	-177.4	172.7	0	0	0	0	0	115.5	E425 R426	G421-E425 VanDerWaalsContact CA-OE2 3.27Å; G421-E425 WeakPolarHBondContact CA-OE2 3.02Å; G421-R426 PolarHBondContact O-NE 3.4Å; G421-R426 PolarHBondContact O-NH2 2.6Å
422	T	90	Very high	87.9	Confident	81 Å²	81	54.7 Å²	54.7	50%	0.497	31%	0.306	S	S	.	.			trans	-66.5	171.5	179.5	61.8	0	0	0	0	113.1	E425 R426	T422-E425 VanDerWaalsContact CB-OE1 3.3Å; T422-E425 WeakPolarHBondContact CB-OE1 3.16Å; T422-E425 VanDerWaalsContact CG2-OE1 3.32Å; T422-E425 WeakPolarHBondContact CG2-OE1 3.16Å; T422-E425 PolarHBondContact N-OE1 2.94Å; T422-E425 VanDerWaalsContact OG1-CG 3.31Å; T422-E425 WeakPolarHBondContact OG1-CG 3.16Å; T422-E425 PolarHBondContact OG1-N 2.85Å; T422-E425 PolarHBondContact OG1-OE1 2.8Å; T422-R426 WeakPolarHBondContact O-CG 3.31Å; T422-R426 PolarHBondContact O-N 3.21Å
423	L	90.3	Very high	87.4	Confident	57 Å²	57	54.8 Å²	54.8	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-46.9	177.7	-167.4	164.5	0	0	0	111.2	E401 L405 L408 R426 A427	E401-L423 VanDerWaalsContact CA-CD2 3.48Å; E401-L423 HydrophobicContact CB-CD2 3.52Å; E401-L423 HydrophobicContact CG-CD2 3.66Å; L405-L423 HydrophobicContact CB-CD1 4.43Å; L405-L423 HydrophobicContact CD1-CB 4.39Å; L405-L423 HydrophobicContact CD1-CD1 4.35Å; L405-L423 HydrophobicContact CD2-CB 4.43Å; L405-L423 HydrophobicContact CG-CB 3.98Å; L405-L423 HydrophobicContact CG-CD1 3.94Å; L405-L423 HydrophobicContact CG-CG 3.91Å; L408-L423 HydrophobicContact CD1-CD2 3.94Å; L408-L423 HydrophobicContact CD1-CG 4.25Å; L423-R426 WeakPolarHBondContact O-CB 3.27Å; L423-R426 PolarHBondContact O-N 3.37Å; L423-R426 VanDerWaalsContact O-N 3.16Å; L423-A427 PolarHBondContact O-N 3.23Å
424	S	89.4	Confident	87.2	Confident	59 Å²	59	53.7 Å²	53.7	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-43.8	179	-168.8	0	0	0	0	112.6	E401 R426 A427 A428	E401-S424 VanDerWaalsContact OE1-CA 3.27Å; E401-S424 WeakPolarHBondContact OE1-CA 3.38Å; E401-S424 WeakPolarHBondContact OE1-CB 3.48Å; E401-S424 PolarHBondContact OE1-OG 3.35Å; S424-R426 PolarHBondContact O-N 2.77Å; S424-A427 WeakPolarHBondContact O-CB 3.46Å; S424-A427 PolarHBondContact O-N 2.9Å; S424-A428 WeakPolarHBondContact O-CB 3.38Å; S424-A428 PolarHBondContact O-N 2.99Å
425	E	91.9	Very high	86.7	Confident	74 Å²	74	51.1 Å²	51.1	35%	0.346	31%	0.309	S	S	.	.	H	α-helix	trans	-59.3	-34	174.3	-71.4	165.4	-107.4	0	0	113.3	G421 T422 R429	G421-E425 VanDerWaalsContact CA-OE2 3.27Å; G421-E425 WeakPolarHBondContact CA-OE2 3.02Å; T422-E425 VanDerWaalsContact CB-OE1 3.3Å; T422-E425 WeakPolarHBondContact CB-OE1 3.16Å; T422-E425 VanDerWaalsContact CG2-OE1 3.32Å; T422-E425 WeakPolarHBondContact CG2-OE1 3.16Å; T422-E425 PolarHBondContact N-OE1 2.94Å; T422-E425 VanDerWaalsContact OG1-CG 3.31Å; T422-E425 WeakPolarHBondContact OG1-CG 3.16Å; T422-E425 PolarHBondContact OG1-N 2.85Å; T422-E425 PolarHBondContact OG1-OE1 2.8Å; E425-R429 WeakPolarHBondContact O-CB 3.4Å; E425-R429 VanDerWaalsContact O-CG 3.28Å; E425-R429 WeakPolarHBondContact O-CG 3.22Å; E425-R429 PolarHBondContact O-N 3Å; E425-R429 IonicContact OE2-CZ 2.76Å; E425-R429 IonicContact OE2-NH1 3.69Å; E425-R429 IonicContact OE2-NH2 3.97Å; E425-R429 PolarHBondContact OE2-NH2 2.88Å
426	R	91.3	Very high	86.5	Confident	40 Å²	40	50.7 Å²	50.7	15%	0.151	31%	0.313	C	S	.	.	H	α-helix	trans	-72.5	-41	177.2	-69	174.3	-156.5	-156.9	3.9	111.5	L405 L408 L412 C419 G421 T422 L423 S424 L430	L405-R426 VanDerWaalsContact CD2-NH1 3.28Å; L408-R426 HydrophobicContact CB-CB 4.23Å; L408-R426 HydrophobicContact CD1-CB 4.44Å; L412-R426 HydrophobicContact CD1-CB 3.66Å; L412-R426 HydrophobicContact CD1-CG 3.65Å; C419-R426 PolarHBondContact O-NE 3.3Å; C419-R426 PolarHBondContact O-NH2 3Å; G421-R426 PolarHBondContact O-NE 3.4Å; G421-R426 PolarHBondContact O-NH2 2.6Å; T422-R426 WeakPolarHBondContact O-CG 3.31Å; T422-R426 PolarHBondContact O-N 3.21Å; L423-R426 WeakPolarHBondContact O-CB 3.27Å; L423-R426 PolarHBondContact O-N 3.37Å; L423-R426 VanDerWaalsContact O-N 3.16Å; S424-R426 PolarHBondContact O-N 2.77Å; R426-L430 PolarHBondContact O-N 2.85Å; R426-L430 VanDerWaalsContact O-N 3.11Å
427	A	90.2	Very high	85.9	Confident	0 Å²	0	51 Å²	51	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-48.2	172.2	0	0	0	0	0	111	V397 L400 E401 L408 L423 S424 L430 F431	V397-A427 HydrophobicContact CG1-CB 3.7Å; L400-A427 HydrophobicContact CB-CB 3.74Å; L400-A427 WeakPolarHBondContact CD2-O 3.46Å; E401-A427 HydrophobicContact CG-CB 3.57Å; L408-A427 HydrophobicContact CD1-CB 4.24Å; L423-A427 PolarHBondContact O-N 3.23Å; S424-A427 WeakPolarHBondContact O-CB 3.46Å; S424-A427 PolarHBondContact O-N 2.9Å; A427-L430 PolarHBondContact O-N 3.09Å; A427-F431 WeakPolarHBondContact O-CB 3.04Å; A427-F431 PolarHBondContact O-N 3.1Å
428	A	89	Confident	85	Confident	39 Å²	39	55.6 Å²	55.6	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-49	176.5	0	0	0	0	0	112.4	S424 L430 F431 S432	S424-A428 WeakPolarHBondContact O-CB 3.38Å; S424-A428 PolarHBondContact O-N 2.99Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.37Å; A428-F431 CarbonylContact O-C 3.54Å; A428-F431 PolarHBondContact O-N 3.4Å; A428-F431 VanDerWaalsContact O-N 3.12Å; A428-S432 PolarHBondContact O-N 2.91Å; A428-S432 PolarHBondContact O-OG 2.7Å; A428-S432 VanDerWaalsContact O-OG 3.1Å
429	R	90.1	Very high	84	Confident	53 Å²	53	58 Å²	58	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-61.8	-37.1	178.6	-73.6	179.2	-154	109.9	1.9	113.5	L412 G420 E425 V433 L445	L412-R429 HydrophobicContact CD2-CB 4.25Å; G420-R429 PolarHBondContact O-NH1 3.49Å; E425-R429 WeakPolarHBondContact O-CB 3.4Å; E425-R429 VanDerWaalsContact O-CG 3.28Å; E425-R429 WeakPolarHBondContact O-CG 3.22Å; E425-R429 PolarHBondContact O-N 3Å; E425-R429 IonicContact OE2-CZ 2.76Å; E425-R429 IonicContact OE2-NH1 3.69Å; E425-R429 IonicContact OE2-NH2 3.97Å; E425-R429 PolarHBondContact OE2-NH2 2.88Å; R429-V433 WeakPolarHBondContact O-CG2 3.33Å; R429-V433 PolarHBondContact O-N 2.71Å; R429-L445 HydrophobicContact CG-CD2 4.46Å
430	L	87.6	Confident	83.4	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-68.6	-40.1	173.5	-78.3	170.8	0	0	0	111.5	L391 L400 L408 E411 L412 L417 R426 A427 A428 V433 R434	L391-L430 HydrophobicContact CD1-CB 4.46Å; L391-L430 HydrophobicContact CD1-CD2 4.45Å; L400-L430 HydrophobicContact CD2-CB 3.63Å; L400-L430 HydrophobicContact CD2-CD1 4.47Å; L408-L430 HydrophobicContact CB-CD1 4.21Å; L408-L430 HydrophobicContact CD2-CD1 3.6Å; E411-L430 HydrophobicContact CB-CD1 3.99Å; E411-L430 HydrophobicContact CB-CD2 4.14Å; E411-L430 HydrophobicContact CG-CD1 4.17Å; E411-L430 HydrophobicContact CG-CD2 3.72Å; L412-L430 HydrophobicContact CD2-CD2 3.76Å; L412-L430 HydrophobicContact CD2-CG 3.68Å; L412-L430 HydrophobicContact CG-CD1 4.04Å; L412-L430 HydrophobicContact CG-CD2 3.92Å; L412-L430 HydrophobicContact CG-CG 3.76Å; L417-L430 HydrophobicContact CD1-CD2 4.35Å; R426-L430 PolarHBondContact O-N 2.85Å; R426-L430 VanDerWaalsContact O-N 3.11Å; A427-L430 PolarHBondContact O-N 3.09Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.37Å; L430-V433 CarbonylContact O-C 3.6Å; L430-V433 PolarHBondContact O-N 2.99Å; L430-R434 PolarHBondContact O-N 2.69Å
431	F	86.6	Confident	83.2	Confident	70 Å²	70	61.2 Å²	61.2	31%	0.307	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-38.9	177.2	-162.5	-97.5	0	0	0	112.3	V397 L400 A427 A428 V433 R434	V397-F431 HydrophobicContact CG2-CB 4.02Å; V397-F431 HydrophobicContact CG2-CD1 3.89Å; V397-F431 HydrophobicContact CG2-CD2 4.23Å; V397-F431 HydrophobicContact CG2-CE1 4.41Å; V397-F431 HydrophobicContact CG2-CG 3.78Å; L400-F431 HydrophobicContact CD2-CB 4.42Å; A427-F431 WeakPolarHBondContact O-CB 3.04Å; A427-F431 PolarHBondContact O-N 3.1Å; A428-F431 CarbonylContact O-C 3.54Å; A428-F431 PolarHBondContact O-N 3.4Å; A428-F431 VanDerWaalsContact O-N 3.12Å; F431-V433 PolarHBondContact O-N 3.07Å; F431-R434 WeakPolarHBondContact O-CB 3.13Å; F431-R434 PolarHBondContact O-N 3.48Å; F431-R434 VanDerWaalsContact O-N 3.08Å
432	S	84.8	Confident	82.6	Confident	80 Å²	80	63.3 Å²	63.3	56%	0.559	36%	0.36	S	S	*	.	H	α-helix	trans	-63.3	-19.7	173	-58.4	0	0	0	0	114.1	A428	A428-S432 PolarHBondContact O-N 2.91Å; A428-S432 PolarHBondContact O-OG 2.7Å; A428-S432 VanDerWaalsContact O-OG 3.1Å
433	V	79.6	Confident	81.9	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.012	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	6.1	177.9	176.9	0	0	0	0	111.5	L417 R429 L430 F431 G435 L436 I441	L417-V433 HydrophobicContact CD1-CB 4.33Å; L417-V433 HydrophobicContact CD1-CG1 4.26Å; L417-V433 HydrophobicContact CD1-CG2 4.08Å; L417-V433 HydrophobicContact CD2-CG2 4.25Å; R429-V433 WeakPolarHBondContact O-CG2 3.33Å; R429-V433 PolarHBondContact O-N 2.71Å; L430-V433 CarbonylContact O-C 3.6Å; L430-V433 PolarHBondContact O-N 2.99Å; F431-V433 PolarHBondContact O-N 3.07Å; V433-G435 PolarHBondContact O-N 2.81Å; V433-L436 PolarHBondContact O-N 3.44Å; V433-I441 HydrophobicContact CG1-CD1 3.61Å; V433-I441 HydrophobicContact CG1-CG1 3.91Å; V433-I441 HydrophobicContact CG2-CG1 4.36Å; V433-I441 HydrophobicContact CG2-CG2 4.31Å
434	R	81.7	Confident	81.4	Confident	100 Å²	100	64.3 Å²	64.3	38%	0.377	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	108.1	174.9	178.4	-174.9	150.8	110.6	16	110.4	L391 S392 V394 L430 F431	L391-R434 HydrophobicContact CB-CB 4.42Å; L391-R434 HydrophobicContact CB-CG 4.23Å; L391-R434 WeakPolarHBondContact O-CD 3.46Å; L391-R434 WeakPolarHBondContact O-CG 3.44Å; L391-R434 PolarHBondContact O-NH1 3.07Å; S392-R434 VanDerWaalsContact C-NH1 3.34Å; S392-R434 VanDerWaalsContact O-CZ 3.24Å; S392-R434 PolarHBondContact O-NH1 2.81Å; S392-R434 PolarHBondContact O-NH2 2.84Å; V394-R434 PolarHBondContact O-NH1 2.86Å; L430-R434 PolarHBondContact O-N 2.69Å; F431-R434 WeakPolarHBondContact O-CB 3.13Å; F431-R434 PolarHBondContact O-N 3.48Å; F431-R434 VanDerWaalsContact O-N 3.08Å
435	G	71.3	Confident	80.9	Confident	77 Å²	77	63.8 Å²	63.8	79%	0.794	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-3.1	174.6	0	0	0	0	0	115.8	V433	V433-G435 PolarHBondContact O-N 2.81Å
436	L	77.4	Confident	80.4	Confident	76 Å²	76	63.1 Å²	63.1	40%	0.398	37%	0.367	S	S	.	.			trans	-80.9	143.7	172.8	-61.4	-177.8	0	0	0	111.1	V433 Q440	V433-L436 PolarHBondContact O-N 3.44Å; L436-Q440 HydrophobicContact CB-CB 4.18Å; L436-Q440 HydrophobicContact CD2-CB 4.32Å
437	S	71.3	Confident	80.1	Confident	44 Å²	44	63.3 Å²	63.3	31%	0.308	38%	0.377	S	S	.	.			trans	-72	159.3	166.1	75.7	0	0	0	0	110.6	D439 Q440	S437-D439 PolarHBondContact O-N 3.24Å; S437-D439 VanDerWaalsContact O-N 3.1Å; S437-Q440 PolarHBondContact O-N 3.18Å; S437-Q440 WeakPolarHBondContact OG-CG 3.47Å
438	P	68.6	Low	79.3	Confident	99 Å²	99	75 Å²	75	64%	0.643	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-54	-32.1	178.9	-27.8	36.8	0	0	0	114.1	Q440 I441	P438-Q440 VanDerWaalsContact C-N 3.32Å; P438-I441 PolarHBondContact O-N 3.16Å
439	D	69.1	Low	78.2	Confident	149 Å²	149	79.1 Å²	79.1	80%	0.797	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-79.5	-13	-178.4	-38.6	-77.6	0	0	0	113.6	S437	S437-D439 PolarHBondContact O-N 3.24Å; S437-D439 VanDerWaalsContact O-N 3.1Å
440	Q	75.9	Confident	76.1	Confident	126 Å²	126	88 Å²	88	59%	0.589	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-96.6	-2.5	176.2	-68.7	172.7	-15.8	0	0	112.8	L436 S437 P438	L436-Q440 HydrophobicContact CB-CB 4.18Å; L436-Q440 HydrophobicContact CD2-CB 4.32Å; S437-Q440 PolarHBondContact O-N 3.18Å; S437-Q440 WeakPolarHBondContact OG-CG 3.47Å; P438-Q440 VanDerWaalsContact C-N 3.32Å
441	I	81.4	Confident	74.1	Confident	18 Å²	18	99.9 Å²	99.9	9%	0.092	52%	0.521	C	S	.	.	S	Bend	trans	-76.5	131.6	177.7	-59.7	176.1	0	0	0	109.4	L417 V433 P438 L445 L446	L417-I441 HydrophobicContact CD2-CG2 3.79Å; V433-I441 HydrophobicContact CG1-CD1 3.61Å; V433-I441 HydrophobicContact CG1-CG1 3.91Å; V433-I441 HydrophobicContact CG2-CG1 4.36Å; V433-I441 HydrophobicContact CG2-CG2 4.31Å; P438-I441 PolarHBondContact O-N 3.16Å; I441-L445 HydrophobicContact CG2-CB 4.34Å; I441-L446 HydrophobicContact CB-CD2 4.33Å; I441-L446 HydrophobicContact CD1-CD2 4.44Å; I441-L446 HydrophobicContact CG2-CD2 3.8Å; I441-L446 HydrophobicContact CG2-CG 4.08Å
442	D	76.8	Confident	71.8	Confident	84 Å²	84	109.6 Å²	109.6	45%	0.449	56%	0.563	S	S	.	*			trans	-52.3	121.2	171.4	172	9.5	0	0	0	110.9	A444 L445	D442-A444 PolarHBondContact O-N 2.6Å; D442-A444 VanDerWaalsContact OD1-CB 3.29Å; D442-A444 WeakPolarHBondContact OD1-CB 3.27Å; D442-A444 PolarHBondContact OD1-N 2.96Å; D442-L445 HydrophobicContact CB-CD1 4.24Å; D442-L445 HydrophobicContact CB-CG 4.15Å; D442-L445 WeakPolarHBondContact O-CB 3.19Å; D442-L445 PolarHBondContact O-N 2.93Å
443	P	76.6	Confident	71.1	Confident	104 Å²	104	111.1 Å²	111.1	68%	0.675	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-16.9	179.1	25.7	-35.2	0	0	0	113.6	L445	P443-L445 VanDerWaalsContact C-N 3.3Å
444	A	78.4	Confident	70.7	Confident	56 Å²	56	116.8 Å²	116.8	46%	0.463	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	-19.3	170.1	0	0	0	0	0	113.4	K418 D442	K418-A444 WeakPolarHBondContact CD-O 3.37Å; K418-A444 VanDerWaalsContact CE-O 3.22Å; K418-A444 WeakPolarHBondContact CE-O 3.42Å; K418-A444 PolarHBondContact NZ-O 2.87Å; D442-A444 PolarHBondContact O-N 2.6Å; D442-A444 VanDerWaalsContact OD1-CB 3.29Å; D442-A444 WeakPolarHBondContact OD1-CB 3.27Å; D442-A444 PolarHBondContact OD1-N 2.96Å
445	L	79.8	Confident	70.1	Confident	47 Å²	47	117.7 Å²	117.7	25%	0.246	60%	0.604	C	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	-23.1	174.5	-62.1	-179.7	0	0	0	113.2	L417 K418 R429 I441 D442 P443	L417-L445 HydrophobicContact CD2-CB 3.98Å; K418-L445 WeakPolarHBondContact CG-O 2.95Å; K418-L445 PolarHBondContact N-O 2.85Å; R429-L445 HydrophobicContact CG-CD2 4.46Å; I441-L445 HydrophobicContact CG2-CB 4.34Å; D442-L445 HydrophobicContact CB-CD1 4.24Å; D442-L445 HydrophobicContact CB-CG 4.15Å; D442-L445 WeakPolarHBondContact O-CB 3.19Å; D442-L445 PolarHBondContact O-N 2.93Å; P443-L445 VanDerWaalsContact C-N 3.3Å
446	L	81.6	Confident	70	Confident	60 Å²	60	120.1 Å²	120.1	31%	0.314	59%	0.593	S	S	.	*	B	Isolated β-bridge	trans	-67.5	142.6	177.7	-64.5	177.6	0	0	0	112.2	L417 K418 I441	L417-L446 HydrophobicContact CD2-CD2 4.23Å; K418-L446 WeakPolarHBondContact CE-O 3.16Å; I441-L446 HydrophobicContact CB-CD2 4.33Å; I441-L446 HydrophobicContact CD1-CD2 4.44Å; I441-L446 HydrophobicContact CG2-CD2 3.8Å; I441-L446 HydrophobicContact CG2-CG 4.08Å
447	A	83.5	Confident	69.5	Low	44 Å²	44	122.9 Å²	122.9	36%	0.364	61%	0.605	S	S	.	*			trans	-70.6	140	169.5	0	0	0	0	0	109.7	G416 T449	G416-A447 WeakPolarHBondContact O-CB 3.44Å; G416-A447 PolarHBondContact O-N 3.42Å; A447-T449 PolarHBondContact O-N 3.29Å
448	R	75.2	Confident	69.4	Low	246 Å²	246	128.1 Å²	128.1	93%	0.928	63%	0.625	S	S	*	*			trans	-62.8	102.7	176.2	-77.4	-173.7	172.9	-173.9	-2.1	110	R450	R448-R450 PolarHBondContact O-N 3.22Å; R448-R450 VanDerWaalsContact O-N 3.15Å
449	T	65.4	Low	69.5	Low	126 Å²	126	130.2 Å²	130.2	77%	0.773	62%	0.623	S	S	*	*			trans	-61.1	115.1	169.3	53.5	0	0	0	0	108.8	A447 R451	A447-T449 PolarHBondContact O-N 3.29Å; T449-R451 PolarHBondContact O-N 2.91Å; T449-R451 VanDerWaalsContact O-N 3.11Å
450	R	46.4	Very low	69.5	Low	240 Å²	240	128.8 Å²	128.8	91%	0.906	61%	0.61	S	S	*	*			trans	-67.2	110.4	163.9	-70.9	-172.1	-178.9	-102.5	3.6	106.9	R448 K452	R448-R450 PolarHBondContact O-N 3.22Å; R448-R450 VanDerWaalsContact O-N 3.15Å; R450-K452 PolarHBondContact O-N 3.08Å
451	R	44.2	Very low	69	Low	250 Å²	250	129 Å²	129	94%	0.943	61%	0.612	S	S	*	*			trans	-54.4	133.4	161.7	-69.8	-174.1	176.3	-172.6	-1.4	106.8	T449	T449-R451 PolarHBondContact O-N 2.91Å; T449-R451 VanDerWaalsContact O-N 3.11Å
452	K	38.6	Very low	67.9	Low	273 Å²	273	139.1 Å²	139.1	100%	1.187	66%	0.659	S	S	*	*			trans	-112.9	0	-163.8	-167.1	-172.7	-179.6	-169.7	0	110.3	R450	R450-K452 PolarHBondContact O-N 3.08Å

Retrieved 452 of 452 residues in 905.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).