A0A077Z308_TRITR Loading...

Lateral signaling target protein 2 homolog

Negative regulator of epidermal growth factor receptor (EGFR) signaling.

AlphaFold DB , UniProt , Accession A0A077Z308, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 982 aa.

						>A0A077Z308_TRITR|A0A077Z308
MPALAKLEPSSVENLSRCEVFSKRPLKRVSSRGDLVEQRADTSPCILPFRLLPGEFAHYFSSLANGGLILLTNFRIFVTMQPRGEFYNMPLLCIENVECRDMFFLHIGGKDGRTAKIPFENNESCLAWFKLLTGATAAPYKLEDIFAFAFHAWCIDEEATSSCGLRLRNSAVQTESECLNSKELVRSEFSRLQFSRSSWRITEVNANYEFCPSYPLCWIVPASVSDSDIEMCGRYRSLRRVPAVVWRHKTNGAVLVRSSQPEPGFFGWRSLADENFLQSIIKAVSEQPNNNGDSTIEAENGITSDDGKSKPLLILDARSYTAAWANRAKGGGFESSEYYKRCEIQFLGLANIHSIRYSFQKFRLAIFESPEGTWFQNLETCQWLHHLCALLNASLRVVEAIHNEGRSVLVHCSDGWDRTTQIVSLAKLLLDPYYRTIKGFRELVEREWVGFGHKFAERLGMQNGDLNQRAPVFLQWLDCVHYLLREYPCSFEFSEVFLVKLAQHAYSGLFGTFLCNSAAQRKEMNILHRTFSVWDYLNEGNLQFRNFLFAIEDTVLLSCLRLRDMGSLWRTVYCPLDDPSNWKAESLLSSMSDDRLAGNTSLCRAHSCDSLTSAPPAVATPEYATMPRRGSDSSLLIHNAKSTESNNKPILGNCETSRDVEDMMHTLLSRLETEYEQMTTNSKLGILSISEDEVLAKRAFEMRLSDESGNDIPLCCSYANECLEKPMLLSSLNSAHNVEADCPNIDVGLPAQSKVKAGKIGKTVASSFSTFNCTYANNPCSIACRTHGDIVNVRHLRQQGKKFTLAELIDQDGLVKVKDSVQQRIQELVCAYEERVAILQAKLCRAQQTISAHKCIIGNLSNAKHTMPAASKPDDLKLENDALEPSSYDSKASQSDTSWEALDEAERVPTRWIPDHATQRCMGCDSEFWVINRKHHCRSCGKVFCGNCSSYECPVPEEQLFEPVRVCNSCFSALNFQQKVNA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.5	Very low	38.9	Very low	93 Å²	93	96.5 Å²	96.5	46%	0.458	57%	0.566	S	S	.	*				0	-22.5	0	-87	-64.4	-164.3	0	0	116.6	A3 L4	M1-A3 PolarHBondContact O-N 2.97Å; M1-L4 HydrophobicContact CE-CD1 3.97Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-L4 HydrophobicContact SD-CB 4.33Å; M1-L4 HydrophobicContact SD-CD1 3.49Å; M1-L4 WeakPolarHBondContact SD-CD1 3.5Å; M1-L4 HydrophobicContact SD-CG 4.48Å
2	P	42.3	Very low	39.3	Very low	109 Å²	109	94.4 Å²	94.4	71%	0.708	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-25.5	167.5	-23.1	33.3	0	0	0	113.1
3	A	38.8	Very low	39.9	Very low	59 Å²	59	100.3 Å²	100.3	49%	0.488	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.2	-41.5	178.3	0	0	0	0	0	113.5	M1 A5 K6 L7	M1-A3 PolarHBondContact O-N 2.97Å; A3-A5 VanDerWaalsContact C-N 3.32Å; A3-A5 PolarHBondContact O-N 3.33Å; A3-K6 CarbonylContact O-C 3.46Å; A3-K6 PolarHBondContact O-N 2.97Å; A3-L7 HydrophobicContact CB-CD1 4.35Å; A3-L7 WeakPolarHBondContact O-CD1 3.44Å; A3-L7 VanDerWaalsContact O-CG 3.25Å; A3-L7 WeakPolarHBondContact O-CG 3.49Å; A3-L7 PolarHBondContact O-N 3.03Å; A3-L7 VanDerWaalsContact O-N 3.09Å
4	L	33.5	Very low	40.6	Very low	58 Å²	58	102.9 Å²	102.9	30%	0.304	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	-25.5	-176.7	-87.7	160.4	0	0	0	113.8	M1 K6 V12	M1-L4 HydrophobicContact CE-CD1 3.97Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-L4 HydrophobicContact SD-CB 4.33Å; M1-L4 HydrophobicContact SD-CD1 3.49Å; M1-L4 WeakPolarHBondContact SD-CD1 3.5Å; M1-L4 HydrophobicContact SD-CG 4.48Å; L4-K6 VanDerWaalsContact C-N 3.27Å; L4-V12 HydrophobicContact CD2-CG1 4.43Å; L4-V12 HydrophobicContact CD2-CG2 3.9Å
5	A	43.6	Very low	41.6	Very low	91 Å²	91	101.7 Å²	101.7	75%	0.752	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-13.5	172.3	0	0	0	0	0	112.9	A3	A3-A5 VanDerWaalsContact C-N 3.32Å; A3-A5 PolarHBondContact O-N 3.33Å
6	K	43.3	Very low	43.1	Very low	188 Å²	188	98.6 Å²	98.6	82%	0.817	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-5.4	176.7	-73.9	-170.4	176.1	-174.4	0	113.4	A3 L4	A3-K6 CarbonylContact O-C 3.46Å; A3-K6 PolarHBondContact O-N 2.97Å; L4-K6 VanDerWaalsContact C-N 3.27Å
7	L	27.6	Very low	44.6	Very low	84 Å²	84	99.4 Å²	99.4	44%	0.44	55%	0.554	S	S	.	*	S	Bend	trans	-95	124.8	-176.1	-81.9	165	0	0	0	109.2	A3 S11	A3-L7 HydrophobicContact CB-CD1 4.35Å; A3-L7 WeakPolarHBondContact O-CD1 3.44Å; A3-L7 VanDerWaalsContact O-CG 3.25Å; A3-L7 WeakPolarHBondContact O-CG 3.49Å; A3-L7 PolarHBondContact O-N 3.03Å; A3-L7 VanDerWaalsContact O-N 3.09Å; L7-S11 WeakPolarHBondContact CB-OG 3.28Å
8	E	30.6	Very low	46	Very low	148 Å²	148	95.4 Å²	95.4	69%	0.692	53%	0.533	S	S	*	.			trans	-56.2	141.9	177	-72.7	-168.2	161.6	0	0	110.2	S10 S11	E8-S10 PolarHBondContact O-N 3.29Å; E8-S11 PolarHBondContact O-N 3.3Å; E8-S11 PolarHBondContact O-OG 3.04Å
9	P	37.6	Very low	47.4	Very low	111 Å²	111	96.1 Å²	96.1	72%	0.721	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-54.9	-25.8	-171.4	14.5	-27.5	0	0	0	114.6	S11 V12	P9-S11 PolarHBondContact O-N 3Å; P9-V12 PolarHBondContact O-N 3.08Å
10	S	37	Very low	48.9	Very low	81 Å²	81	94.3 Å²	94.3	57%	0.566	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-65.9	-19.8	175.6	55.5	0	0	0	0	114.5	E8	E8-S10 PolarHBondContact O-N 3.29Å
11	S	43.9	Very low	50.2	Low	40 Å²	40	92 Å²	92	28%	0.28	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-89.8	-16.2	-179.2	63.4	0	0	0	0	114.2	L7 E8 P9	L7-S11 WeakPolarHBondContact CB-OG 3.28Å; E8-S11 PolarHBondContact O-N 3.3Å; E8-S11 PolarHBondContact O-OG 3.04Å; P9-S11 PolarHBondContact O-N 3Å
12	V	43.7	Very low	51.4	Low	71 Å²	71	91.2 Å²	91.2	43%	0.43	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-76.8	-26.4	179.9	-175.8	0	0	0	0	111.6	L4 P9 N14	L4-V12 HydrophobicContact CD2-CG1 4.43Å; L4-V12 HydrophobicContact CD2-CG2 3.9Å; P9-V12 PolarHBondContact O-N 3.08Å; V12-N14 PolarHBondContact O-N 3.31Å
13	E	47.2	Very low	53.2	Low	171 Å²	171	90.9 Å²	90.9	80%	0.799	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-68.8	-16.5	178.9	-68.5	-174.8	164.5	0	0	113.7
14	N	50.3	Low	55.1	Low	137 Å²	137	95.9 Å²	95.9	73%	0.733	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-97.6	-3.2	-175.2	-70.7	-28.2	0	0	0	115.1	V12	V12-N14 PolarHBondContact O-N 3.31Å
15	L	54.6	Low	57.2	Low	84 Å²	84	97.2 Å²	97.2	44%	0.44	52%	0.518	S	S	.	.	S	Bend	trans	-96.9	126.6	176.3	-71.2	167.8	0	0	0	110	E19 V20	L15-E19 HydrophobicContact CD2-CB 4.33Å; L15-V20 HydrophobicContact CB-CG2 4.31Å
16	S	66.6	Low	59.3	Low	52 Å²	52	94.6 Å²	94.6	36%	0.364	49%	0.491	S	S	.	.			trans	-60.7	150	169.1	65.9	0	0	0	0	110.2	C18 E19 V20	S16-C18 PolarHBondContact O-N 3Å; S16-E19 PolarHBondContact N-OE2 2.9Å; S16-E19 WeakPolarHBondContact O-CB 3.48Å; S16-E19 PolarHBondContact O-N 3.46Å; S16-E19 WeakPolarHBondContact OG-CB 3.46Å; S16-E19 WeakPolarHBondContact OG-CG 3.36Å; S16-E19 PolarHBondContact OG-N 2.96Å; S16-E19 PolarHBondContact OG-OE2 3.23Å; S16-V20 PolarHBondContact O-N 2.86Å
17	R	68.9	Low	61.5	Low	113 Å²	113	88.3 Å²	88.3	43%	0.426	46%	0.464	S	S	.	.	H	α-helix	trans	-64.8	-32.5	-178.2	-62.7	179	168.9	171.8	-2.5	110.6	E19 V20 F21 A152 I155 D156	R17-E19 PolarHBondContact O-N 3.21Å; R17-V20 PolarHBondContact O-N 3.24Å; R17-F21 VanDerWaalsContact O-CD2 3.31Å; R17-F21 WeakPolarHBondContact O-CD2 3.44Å; R17-F21 PolarHBondContact O-N 3.38Å; R17-A152 HydrophobicContact CB-CB 3.67Å; R17-I155 VanDerWaalsContact NH1-CD1 3.27Å; R17-D156 PolarHBondContact N-OD2 2.88Å
18	C	69.6	Low	64.5	Low	27 Å²	27	90.1 Å²	90.1	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-61.2	-34.7	170.1	-70.7	0	0	0	0	114.7	S16 F21 S22 W153 D156	S16-C18 PolarHBondContact O-N 3Å; C18-F21 CarbonylContact O-C 3.52Å; C18-F21 PolarHBondContact O-N 3.31Å; C18-S22 PolarHBondContact O-N 3.44Å; C18-W153 HydrophobicContact CB-CD2 4.48Å; C18-W153 HydrophobicContact CB-CH2 4.37Å; C18-W153 HydrophobicContact CB-CZ2 4.06Å; C18-W153 VanDerWaalsContact SG-CD2 3.55Å; C18-D156 PolarHBondContact N-OD2 3.14Å; C18-D156 VanDerWaalsContact N-OD2 3.07Å; C18-D156 PolarHBondContact SG-OD2 2.97Å
19	E	72.9	Confident	67.4	Low	108 Å²	108	83.1 Å²	83.1	51%	0.505	43%	0.432	S	S	.	.	H	α-helix	trans	-67.7	-36.5	176.3	-78.2	164.1	142.6	0	0	112	L15 S16 R17 F21	L15-E19 HydrophobicContact CD2-CB 4.33Å; S16-E19 PolarHBondContact N-OE2 2.9Å; S16-E19 WeakPolarHBondContact O-CB 3.48Å; S16-E19 PolarHBondContact O-N 3.46Å; S16-E19 WeakPolarHBondContact OG-CB 3.46Å; S16-E19 WeakPolarHBondContact OG-CG 3.36Å; S16-E19 PolarHBondContact OG-N 2.96Å; S16-E19 PolarHBondContact OG-OE2 3.23Å; R17-E19 PolarHBondContact O-N 3.21Å; E19-F21 VanDerWaalsContact C-N 3.28Å; E19-F21 PolarHBondContact O-N 3.26Å
20	V	75.9	Confident	69.8	Low	60 Å²	60	79 Å²	79	36%	0.364	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-36.5	174.9	-179.1	0	0	0	0	111	L15 S16 R17	L15-V20 HydrophobicContact CB-CG2 4.31Å; S16-V20 PolarHBondContact O-N 2.86Å; R17-V20 PolarHBondContact O-N 3.24Å
21	F	77.9	Confident	72	Confident	47 Å²	47	78.2 Å²	78.2	21%	0.206	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	53.6	179.4	-60.8	-73.7	0	0	0	112.1	R17 C18 E19 F148 A149 A152 W153	R17-F21 VanDerWaalsContact O-CD2 3.31Å; R17-F21 WeakPolarHBondContact O-CD2 3.44Å; R17-F21 PolarHBondContact O-N 3.38Å; C18-F21 CarbonylContact O-C 3.52Å; C18-F21 PolarHBondContact O-N 3.31Å; E19-F21 VanDerWaalsContact C-N 3.28Å; E19-F21 PolarHBondContact O-N 3.26Å; F21-F148 HydrophobicContact CE1-CB 4.32Å; F21-F148 HydrophobicContact CZ-CB 3.87Å; F21-A149 HydrophobicContact CB-CB 4.04Å; F21-A149 HydrophobicContact CD1-CB 3.64Å; F21-A149 HydrophobicContact CD2-CB 4.48Å; F21-A149 HydrophobicContact CE1-CB 4.18Å; F21-A149 HydrophobicContact CG-CB 3.81Å; F21-A152 HydrophobicContact CD2-CB 3.53Å; F21-A152 HydrophobicContact CE2-CB 3.74Å; F21-W153 PolarHBondContact O-NE1 3.48Å
22	S	74.4	Confident	74.1	Confident	76 Å²	76	85.1 Å²	85.1	53%	0.531	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-66.6	139.4	-176.5	50.1	0	0	0	0	113.7	C18	C18-S22 PolarHBondContact O-N 3.44Å
23	K	79.2	Confident	76	Confident	102 Å²	102	82.7 Å²	82.7	44%	0.443	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-73.3	138.1	176.7	-63.2	-177	176.3	174.5	0	110.1	F56 W153	K23-F56 HydrophobicContact CB-CB 4.07Å; K23-F56 HydrophobicContact CB-CD1 4.12Å; K23-F56 HydrophobicContact CB-CD2 4.47Å; K23-F56 HydrophobicContact CB-CG 3.98Å; K23-F56 HydrophobicContact CD-CB 4.07Å; K23-F56 HydrophobicContact CG-CB 3.9Å; K23-F56 HydrophobicContact CG-CD1 3.85Å; K23-F56 HydrophobicContact CG-CG 4.01Å; K23-W153 HydrophobicContact CD-CH2 4.02Å; K23-W153 HydrophobicContact CD-CZ2 4.24Å; K23-W153 HydrophobicContact CG-CH2 4.18Å; K23-W153 HydrophobicContact CG-CZ2 3.93Å
24	R	78.4	Confident	78	Confident	165 Å²	165	79.1 Å²	79.1	62%	0.623	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-98.2	155.2	175.3	-53.3	-165.3	-170.4	161.7	-1.9	111.2	F56	R24-F56 HydrophobicContact CB-CD2 4.37Å; R24-F56 HydrophobicContact CB-CE2 3.66Å; R24-F56 HydrophobicContact CB-CZ 4.37Å; R24-F56 HydrophobicContact CG-CE2 3.86Å; R24-F56 HydrophobicContact CG-CZ 4.06Å; R24-F56 VanDerWaalsContact N-CE2 3.26Å
25	P	79.2	Confident	79.7	Confident	86 Å²	86	76.6 Å²	76.6	56%	0.558	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-66.6	145.2	177.4	26.5	-34.8	0	0	0	112.3
26	L	86.7	Confident	81.1	Confident	35 Å²	35	76.2 Å²	76.2	18%	0.183	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-70.6	130.6	176.7	179.6	60.1	0	0	0	110.9	C45 A57 F60	L26-C45 HydrophobicContact CD2-CB 3.84Å; L26-A57 HydrophobicContact CD1-CB 3.69Å; L26-F60 HydrophobicContact CD1-CD1 3.64Å; L26-F60 HydrophobicContact CD1-CE1 4.31Å; L26-F60 HydrophobicContact CD2-CD1 3.82Å; L26-F60 HydrophobicContact CD2-CE1 3.84Å; L26-F60 HydrophobicContact CG-CD1 3.68Å; L26-F60 HydrophobicContact CG-CE1 3.83Å
27	K	90	Very high	81.7	Confident	57 Å²	57	79.1 Å²	79.1	25%	0.248	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.1	177.7	-58.3	-168.1	178.9	-153.8	0	111.2	E37 H58 Y59 F60	K27-E37 HydrophobicContact CD-CG 4.1Å; K27-E37 WeakPolarHBondContact CE-OE1 3.46Å; K27-E37 HydrophobicContact CG-CG 4.04Å; K27-E37 IonicContact NZ-OE1 2.78Å; K27-E37 PolarHBondContact NZ-OE1 2.92Å; K27-H58 PolarHBondContact N-O 3.22Å; K27-Y59 HydrophobicContact CB-CD1 3.96Å; K27-Y59 HydrophobicContact CB-CE1 4.13Å; K27-Y59 HydrophobicContact CD-CE1 4.4Å; K27-Y59 VanDerWaalsContact O-CA 3.27Å; K27-Y59 WeakPolarHBondContact O-CA 3.48Å; K27-F60 WeakPolarHBondContact O-CD1 3.49Å; K27-F60 PolarHBondContact O-N 2.99Å; K27-F60 VanDerWaalsContact O-N 3.1Å
28	R	89.9	Confident	81.7	Confident	122 Å²	122	76.6 Å²	76.6	46%	0.46	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.6	172.7	-167.7	179.1	-166.2	-156.1	3	109.7	V36 F60	R28-V36 PolarHBondContact N-O 2.94Å; R28-V36 PolarHBondContact O-N 3.45Å; R28-F60 WeakPolarHBondContact CA-O 3.35Å; R28-F60 HydrophobicContact CB-CD1 4.37Å; R28-F60 HydrophobicContact CB-CE1 3.77Å; R28-F60 HydrophobicContact CB-CZ 3.94Å; R28-F60 HydrophobicContact CG-CE1 4.14Å; R28-F60 HydrophobicContact CG-CE2 4.16Å; R28-F60 HydrophobicContact CG-CZ 3.89Å
29	V	91.2	Very high	81.4	Confident	1 Å²	1	83.9 Å²	83.9	1%	0.006	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114	168.7	-171.5	0	0	0	0	107.9	L35 Y59 F60 S61 A127 W128 L131	V29-L35 HydrophobicContact CG2-CD2 4.02Å; V29-Y59 HydrophobicContact CG2-CD1 4.48Å; V29-F60 PolarHBondContact N-O 3.38Å; V29-S61 WeakPolarHBondContact O-CB 3.34Å; V29-S61 PolarHBondContact O-OG 2.89Å; V29-A127 HydrophobicContact CG1-CB 4.04Å; V29-W128 HydrophobicContact CB-CZ2 4.37Å; V29-W128 HydrophobicContact CG2-CZ2 3.86Å; V29-L131 HydrophobicContact CG2-CD1 3.6Å
30	S	88.7	Confident	80.9	Confident	24 Å²	24	84.2 Å²	84.2	17%	0.168	43%	0.429	C	S	.	.			trans	-68.9	164.2	179	85.6	0	0	0	0	111.2	R32 G33 D34	S30-R32 PolarHBondContact O-N 3.12Å; S30-R32 PolarHBondContact OG-N 2.72Å; S30-G33 PolarHBondContact O-N 3.29Å; S30-G33 PolarHBondContact OG-N 3.29Å; S30-D34 PolarHBondContact N-O 3.17Å; S30-D34 PolarHBondContact OG-N 3.09Å; S30-D34 VanDerWaalsContact OG-N 3.09Å
31	S	83.8	Confident	79.9	Confident	65 Å²	65	87.4 Å²	87.4	46%	0.455	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.8	174.3	53.5	0	0	0	0	113.6	G33 N121	S31-G33 VanDerWaalsContact C-N 3.35Å; S31-N121 PolarHBondContact O-ND2 3.34Å; S31-N121 PolarHBondContact O-OD1 3Å
32	R	86.4	Confident	79.1	Confident	184 Å²	184	88.3 Å²	88.3	69%	0.694	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-2	172.4	-64.2	-176.5	177.1	-179.8	-1.9	113.2	S30 E123	S30-R32 PolarHBondContact O-N 3.12Å; S30-R32 PolarHBondContact OG-N 2.72Å; R32-E123 WeakPolarHBondContact CA-OE2 3.46Å
33	G	83.9	Confident	78.3	Confident	21 Å²	21	89.7 Å²	89.7	22%	0.216	46%	0.463	C	S	.	.	S	Bend	trans	84.9	3.9	-177.4	0	0	0	0	0	115.2	S30 S31	S30-G33 PolarHBondContact O-N 3.29Å; S30-G33 PolarHBondContact OG-N 3.29Å; S31-G33 VanDerWaalsContact C-N 3.35Å
34	D	88.7	Confident	77.6	Confident	95 Å²	95	89.8 Å²	89.8	51%	0.508	47%	0.474	S	S	.	.			trans	-77.2	144.6	178.3	-58.1	-50.8	0	0	0	111.8	S30	S30-D34 PolarHBondContact N-O 3.17Å; S30-D34 PolarHBondContact OG-N 3.09Å; S30-D34 VanDerWaalsContact OG-N 3.09Å
35	L	88	Confident	77.1	Confident	84 Å²	84	83.3 Å²	83.3	44%	0.44	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.3	173.3	-63.5	179.2	0	0	0	110.1	V29 Y59 L131	V29-L35 HydrophobicContact CG2-CD2 4.02Å; L35-Y59 HydrophobicContact CD1-CE1 3.99Å; L35-Y59 HydrophobicContact CD2-CD1 3.72Å; L35-Y59 HydrophobicContact CD2-CE1 3.69Å; L35-Y59 HydrophobicContact CG-CE1 4.48Å; L35-L131 HydrophobicContact CD2-CD1 4.22Å; L35-L131 HydrophobicContact CD2-CD2 4.48Å
36	V	83.9	Confident	76.7	Confident	76 Å²	76	86.4 Å²	86.4	46%	0.461	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.7	177.9	-175.2	0	0	0	0	108.7	R28	R28-V36 PolarHBondContact N-O 2.94Å; R28-V36 PolarHBondContact O-N 3.45Å
37	E	77.7	Confident	76.3	Confident	113 Å²	113	87 Å²	87	53%	0.528	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.1	172	-82.7	177	-172.4	0	0	110.4	K27 R39	K27-E37 HydrophobicContact CD-CG 4.1Å; K27-E37 WeakPolarHBondContact CE-OE1 3.46Å; K27-E37 HydrophobicContact CG-CG 4.04Å; K27-E37 IonicContact NZ-OE1 2.78Å; K27-E37 PolarHBondContact NZ-OE1 2.92Å; E37-R39 PolarHBondContact O-N 3.45Å; E37-R39 VanDerWaalsContact O-N 3.15Å
38	Q	68.8	Low	75.7	Confident	60 Å²	60	85.9 Å²	85.9	28%	0.28	47%	0.465	S	S	.	.			trans	-68.4	114.7	179.2	-170.8	168.1	9.5	0	0	109	T42 S43	Q38-T42 WeakPolarHBondContact CG-OG1 3.48Å; Q38-T42 PolarHBondContact NE2-OG1 3.49Å; Q38-S43 PolarHBondContact NE2-O 3.35Å; Q38-S43 VanDerWaalsContact NE2-O 3.13Å
39	R	64.8	Low	75.2	Confident	181 Å²	181	80.6 Å²	80.6	68%	0.683	45%	0.446	S	S	*	.			trans	-70.4	143.7	174.5	-64.8	-178.9	-178.7	179.1	-0.6	109.8	E37 D41 T42	E37-R39 PolarHBondContact O-N 3.45Å; E37-R39 VanDerWaalsContact O-N 3.15Å; R39-D41 WeakPolarHBondContact CB-OD1 3.49Å; R39-D41 PolarHBondContact O-N 3.03Å; R39-D41 VanDerWaalsContact O-N 3.08Å; R39-T42 HydrophobicContact CB-CG2 4.38Å; R39-T42 PolarHBondContact O-N 3.04Å; R39-T42 PolarHBondContact O-OG1 3.36Å
40	A	60.9	Low	74.8	Confident	115 Å²	115	88.9 Å²	88.9	95%	0.95	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.2	-179	0	0	0	0	0	114.2
41	D	55.2	Low	74.7	Confident	127 Å²	127	90 Å²	90	68%	0.679	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.8	177.5	62.7	-9.9	0	0	0	113.9	R39	R39-D41 WeakPolarHBondContact CB-OD1 3.49Å; R39-D41 PolarHBondContact O-N 3.03Å; R39-D41 VanDerWaalsContact O-N 3.08Å
42	T	60.9	Low	75	Confident	66 Å²	66	87.5 Å²	87.5	41%	0.405	46%	0.462	S	S	.	.	S	Bend	trans	-86.1	143.4	178.1	60.5	0	0	0	0	111.4	Q38 R39	Q38-T42 WeakPolarHBondContact CG-OG1 3.48Å; Q38-T42 PolarHBondContact NE2-OG1 3.49Å; R39-T42 HydrophobicContact CB-CG2 4.38Å; R39-T42 PolarHBondContact O-N 3.04Å; R39-T42 PolarHBondContact O-OG1 3.36Å
43	S	57.9	Low	75.1	Confident	104 Å²	104	79.5 Å²	79.5	73%	0.727	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-50.6	125	176.3	55.3	0	0	0	0	110.3	Q38	Q38-S43 PolarHBondContact NE2-O 3.35Å; Q38-S43 VanDerWaalsContact NE2-O 3.13Å
44	P	63.7	Low	75.3	Confident	104 Å²	104	78.5 Å²	78.5	68%	0.675	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-59.1	142.7	-175.5	21.7	-31.5	0	0	0	110.6	I46	P44-I46 PolarHBondContact O-N 3.16Å; P44-I46 VanDerWaalsContact O-N 3.07Å
45	C	68.1	Low	75.5	Confident	30 Å²	30	74 Å²	74	20%	0.203	40%	0.4	C	S	.	.			trans	-67.4	109.4	172.3	-176.2	0	0	0	0	107.9	L26 L47 F60	L26-C45 HydrophobicContact CD2-CB 3.84Å; C45-L47 PolarHBondContact O-N 2.65Å; C45-F60 HydrophobicContact CB-CD2 4.46Å; C45-F60 HydrophobicContact CB-CE1 4.39Å; C45-F60 HydrophobicContact CB-CE2 4.13Å; C45-F60 HydrophobicContact CB-CZ 4.08Å
46	I	71	Confident	75.6	Confident	150 Å²	150	71 Å²	71	77%	0.769	38%	0.383	S	S	*	.			trans	-74.8	110.2	175.1	-58.5	175.2	0	0	0	107.4	P44	P44-I46 PolarHBondContact O-N 3.16Å; P44-I46 VanDerWaalsContact O-N 3.07Å
47	L	79	Confident	75.9	Confident	49 Å²	49	67.8 Å²	67.8	26%	0.257	37%	0.365	S	S	.	.			trans	-67.4	134.6	175.5	-61.5	178	0	0	0	109.3	C45 F49 L51 A57 L70	C45-L47 PolarHBondContact O-N 2.65Å; L47-F49 PolarHBondContact O-N 3.22Å; L47-L51 HydrophobicContact CD1-CD1 3.5Å; L47-L51 HydrophobicContact CD1-CD2 4.03Å; L47-L51 HydrophobicContact CD1-CG 3.68Å; L47-A57 HydrophobicContact CD2-CB 4.16Å; L47-L70 HydrophobicContact CD2-CD1 4Å; L47-L70 HydrophobicContact CD2-CD2 3.65Å
48	P	76.2	Confident	76.5	Confident	32 Å²	32	63.9 Å²	63.9	21%	0.208	35%	0.347	C	S	.	.	S	Bend	trans	-82.6	2.5	-173.5	34	-35.4	0	0	0	113.6	L68 F77 L805 A806	P48-L68 HydrophobicContact CG-CD2 4.32Å; P48-F77 HydrophobicContact CB-CE1 4.49Å; P48-F77 HydrophobicContact CG-CD1 4.02Å; P48-F77 HydrophobicContact CG-CE1 3.59Å; P48-F77 HydrophobicContact CG-CZ 4.4Å; P48-L805 HydrophobicContact CB-CB 4.24Å; P48-L805 HydrophobicContact CB-CD2 3.48Å; P48-L805 VanDerWaalsContact CB-CD2 3.48Å; P48-L805 HydrophobicContact CG-CD2 3.86Å; P48-A806 PolarHBondContact O-N 3.45Å
49	F	81.1	Confident	77.6	Confident	11 Å²	11	63.5 Å²	63.5	5%	0.048	34%	0.343	C	S	.	.	S	Bend	trans	-150.1	164.5	179.3	52.7	-101.7	0	0	0	110.4	L47 L51 L70 F77 I809	L47-F49 PolarHBondContact O-N 3.22Å; F49-L51 HydrophobicContact CE2-CD2 4.04Å; F49-L70 HydrophobicContact CE1-CD2 3.94Å; F49-L70 HydrophobicContact CE2-CD2 4.5Å; F49-L70 HydrophobicContact CZ-CD2 3.56Å; F49-F77 HydrophobicContact CD1-CD1 4.19Å; F49-F77 HydrophobicContact CD1-CD2 4.02Å; F49-F77 HydrophobicContact CD1-CE1 4.17Å; F49-F77 HydrophobicContact CD1-CE2 4.05Å; F49-F77 HydrophobicContact CD1-CG 4.11Å; F49-F77 HydrophobicContact CD1-CZ 4.12Å; F49-F77 HydrophobicContact CE1-CB 3.73Å; F49-F77 AromaticContact CE1-CD1 3.57Å; F49-F77 HydrophobicContact CE1-CD1 3.57Å; F49-F77 AromaticContact CE1-CD2 3.61Å; F49-F77 HydrophobicContact CE1-CD2 3.61Å; F49-F77 HydrophobicContact CE1-CE1 4.02Å; F49-F77 HydrophobicContact CE1-CE2 4.09Å; F49-F77 AromaticContact CE1-CG 3.34Å; F49-F77 HydrophobicContact CE1-CG 3.34Å; F49-F77 HydrophobicContact CE1-CZ 4.28Å; F49-F77 HydrophobicContact CZ-CB 4.1Å; F49-F77 HydrophobicContact CZ-CG 4.19Å; F49-I809 HydrophobicContact CB-CB 4.31Å; F49-I809 HydrophobicContact CB-CG1 4.07Å; F49-I809 HydrophobicContact CB-CG2 4.34Å
50	R	82.1	Confident	79	Confident	175 Å²	175	55.8 Å²	55.8	66%	0.66	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-74.7	133.1	172.8	-172.2	175	176.7	175.5	-0.7	110.5	R75 S162	R50-R75 PolarHBondContact O-NH2 3.47Å; R50-S162 PolarHBondContact NH2-O 2.98Å
51	L	87.5	Confident	80.4	Confident	48 Å²	48	50.7 Å²	50.7	25%	0.251	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-73.7	141.3	171.6	-67.6	173	0	0	0	110	L47 F49 E55 T72	L47-L51 HydrophobicContact CD1-CD1 3.5Å; L47-L51 HydrophobicContact CD1-CD2 4.03Å; L47-L51 HydrophobicContact CD1-CG 3.68Å; F49-L51 HydrophobicContact CE2-CD2 4.04Å; L51-E55 WeakPolarHBondContact CA-OE2 3.28Å; L51-E55 HydrophobicContact CB-CB 4.22Å; L51-E55 HydrophobicContact CD2-CB 4.3Å; L51-E55 HydrophobicContact CD2-CG 3.81Å; L51-T72 HydrophobicContact CD2-CG2 4.12Å
52	L	89.7	Confident	81.9	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-69.8	157	170.6	-59.8	174.2	0	0	0	110.8	G54 E55 F74 F146 F150 L165 L509 Q811	L52-G54 PolarHBondContact O-N 3.22Å; L52-E55 HydrophobicContact CB-CB 4.02Å; L52-E55 PolarHBondContact N-OE2 3.48Å; L52-E55 WeakPolarHBondContact O-CA 3.4Å; L52-E55 WeakPolarHBondContact O-CB 3.21Å; L52-E55 PolarHBondContact O-N 2.89Å; L52-F74 HydrophobicContact CD1-CD1 4.06Å; L52-F74 HydrophobicContact CD1-CE1 3.89Å; L52-F74 HydrophobicContact CD1-CZ 4.49Å; L52-F146 HydrophobicContact CB-CE1 4.45Å; L52-F146 HydrophobicContact CB-CZ 4.26Å; L52-F146 HydrophobicContact CD1-CE1 4.08Å; L52-F150 HydrophobicContact CB-CD2 4.36Å; L52-F150 HydrophobicContact CB-CE2 4.4Å; L52-L165 HydrophobicContact CD2-CD1 4.08Å; L52-L509 HydrophobicContact CD1-CD1 3.93Å; L52-Q811 VanDerWaalsContact CD2-O 3.27Å; L52-Q811 WeakPolarHBondContact CD2-O 3.5Å
53	P	88.4	Confident	83	Confident	15 Å²	15	45.1 Å²	45.1	10%	0.097	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	129.3	164.8	-30.5	34.8	0	0	0	111.9	E55 F150 W153 C154	P53-E55 PolarHBondContact O-N 3.38Å; P53-E55 VanDerWaalsContact O-N 3.15Å; P53-F150 HydrophobicContact CB-CD2 4.13Å; P53-F150 HydrophobicContact CB-CE2 4.25Å; P53-F150 HydrophobicContact CG-CE2 4.16Å; P53-F150 WeakPolarHBondContact O-CD2 3.44Å; P53-W153 HydrophobicContact CB-CB 3.93Å; P53-C154 VanDerWaalsContact CB-SG 3.59Å
54	G	88.7	Confident	83.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-6.9	-174.6	0	0	0	0	0	116	L52 N73 W153	L52-G54 PolarHBondContact O-N 3.22Å; G54-N73 PolarHBondContact O-ND2 3.47Å; G54-W153 VanDerWaalsContact N-CG 3.33Å
55	E	91.8	Very high	84.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.			trans	-79	138.6	172.5	-164.1	-175.6	-172.4	0	0	110.5	L51 L52 P53 T72 N73 F74 R75 F146	L51-E55 WeakPolarHBondContact CA-OE2 3.28Å; L51-E55 HydrophobicContact CB-CB 4.22Å; L51-E55 HydrophobicContact CD2-CB 4.3Å; L51-E55 HydrophobicContact CD2-CG 3.81Å; L52-E55 HydrophobicContact CB-CB 4.02Å; L52-E55 PolarHBondContact N-OE2 3.48Å; L52-E55 WeakPolarHBondContact O-CA 3.4Å; L52-E55 WeakPolarHBondContact O-CB 3.21Å; L52-E55 PolarHBondContact O-N 2.89Å; P53-E55 PolarHBondContact O-N 3.38Å; P53-E55 VanDerWaalsContact O-N 3.15Å; E55-T72 HydrophobicContact CG-CG2 4.28Å; E55-T72 WeakPolarHBondContact OE1-CB 3.46Å; E55-T72 VanDerWaalsContact OE1-CG2 3.32Å; E55-T72 WeakPolarHBondContact OE1-CG2 3.41Å; E55-T72 PolarHBondContact OE1-OG1 2.79Å; E55-N73 VanDerWaalsContact CA-OD1 3.3Å; E55-N73 WeakPolarHBondContact CA-OD1 3.43Å; E55-F74 HydrophobicContact CG-CB 4.06Å; E55-R75 WeakPolarHBondContact OE1-CG 3.37Å; E55-R75 IonicContact OE1-CZ 3.68Å; E55-R75 IonicContact OE1-NE 3.21Å; E55-R75 PolarHBondContact OE1-NE 3.37Å; E55-R75 IonicContact OE1-NH2 3.81Å; E55-R75 PolarHBondContact OE1-NH2 3.47Å; E55-R75 IonicContact OE2-CZ 2.64Å; E55-R75 IonicContact OE2-NE 2.8Å; E55-R75 IonicContact OE2-NH2 2.76Å; E55-R75 PolarHBondContact OE2-NH2 3.11Å; E55-F146 HydrophobicContact CB-CE2 4.04Å; E55-F146 HydrophobicContact CB-CZ 3.79Å; E55-F146 HydrophobicContact CG-CZ 4.45Å
56	F	89.6	Confident	85	Confident	20 Å²	20	41.3 Å²	41.3	9%	0.088	23%	0.228	C	C	.	.			trans	-148	148.4	171.9	62.6	-85.8	0	0	0	111.5	K23 R24 H58 T72 N73	K23-F56 HydrophobicContact CB-CB 4.07Å; K23-F56 HydrophobicContact CB-CD1 4.12Å; K23-F56 HydrophobicContact CB-CD2 4.47Å; K23-F56 HydrophobicContact CB-CG 3.98Å; K23-F56 HydrophobicContact CD-CB 4.07Å; K23-F56 HydrophobicContact CG-CB 3.9Å; K23-F56 HydrophobicContact CG-CD1 3.85Å; K23-F56 HydrophobicContact CG-CG 4.01Å; R24-F56 HydrophobicContact CB-CD2 4.37Å; R24-F56 HydrophobicContact CB-CE2 3.66Å; R24-F56 HydrophobicContact CB-CZ 4.37Å; R24-F56 HydrophobicContact CG-CE2 3.86Å; R24-F56 HydrophobicContact CG-CZ 4.06Å; R24-F56 VanDerWaalsContact N-CE2 3.26Å; F56-H58 AromaticContact CE2-CD2 3.66Å; F56-H58 AromaticContact CE2-CE1 3.17Å; F56-H58 WeakPolarHBondContact CE2-CE1 3.38Å; F56-H58 AromaticContact CE2-CG 3.87Å; F56-H58 AromaticContact CE2-ND1 3.57Å; F56-H58 AromaticContact CE2-NE2 3.21Å; F56-H58 WeakPolarHBondContact CE2-NE2 3.36Å; F56-H58 AromaticContact CZ-CE1 3.55Å; F56-H58 AromaticContact CZ-NE2 3.34Å; F56-H58 VanDerWaalsContact CZ-NE2 3.34Å; F56-H58 WeakPolarHBondContact CZ-NE2 3.47Å; F56-T72 WeakPolarHBondContact O-CA 3.33Å; F56-T72 VanDerWaalsContact O-CB 3.27Å; F56-T72 WeakPolarHBondContact O-CB 3.45Å; F56-N73 HydrophobicContact CD1-CB 4.43Å; F56-N73 HydrophobicContact CE1-CB 3.97Å; F56-N73 VanDerWaalsContact CE1-ND2 3.29Å; F56-N73 WeakPolarHBondContact CE1-ND2 3.28Å; F56-N73 HydrophobicContact CZ-CB 4.08Å; F56-N73 PolarHBondContact N-OD1 3.43Å; F56-N73 PolarHBondContact O-N 3.48Å; F56-N73 PolarHBondContact O-OD1 2.9Å
57	A	90.1	Very high	85.6	Confident	10 Å²	10	34.4 Å²	34.4	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.2	178.9	0	0	0	0	0	110.7	L26 L47 L70	L26-A57 HydrophobicContact CD1-CB 3.69Å; L47-A57 HydrophobicContact CD2-CB 4.16Å; A57-L70 HydrophobicContact CB-CD1 3.87Å
58	H	90.1	Very high	86.1	Confident	30 Å²	30	33.5 Å²	33.5	14%	0.139	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-51.1	177.8	-86.1	-76	0	0	0	112.2	K27 F56 L71	K27-H58 PolarHBondContact N-O 3.22Å; F56-H58 AromaticContact CE2-CD2 3.66Å; F56-H58 AromaticContact CE2-CE1 3.17Å; F56-H58 WeakPolarHBondContact CE2-CE1 3.38Å; F56-H58 AromaticContact CE2-CG 3.87Å; F56-H58 AromaticContact CE2-ND1 3.57Å; F56-H58 AromaticContact CE2-NE2 3.21Å; F56-H58 WeakPolarHBondContact CE2-NE2 3.36Å; F56-H58 AromaticContact CZ-CE1 3.55Å; F56-H58 AromaticContact CZ-NE2 3.34Å; F56-H58 VanDerWaalsContact CZ-NE2 3.34Å; F56-H58 WeakPolarHBondContact CZ-NE2 3.47Å; H58-L71 WeakPolarHBondContact CB-O 3.34Å; H58-L71 PolarHBondContact N-O 2.98Å
59	Y	93.5	Very high	86.8	Confident	52 Å²	52	32 Å²	32	20%	0.204	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.2	-171.4	-55.4	-76.3	0	0	0	111.8	K27 V29 L35 L70 L71 L131	K27-Y59 HydrophobicContact CB-CD1 3.96Å; K27-Y59 HydrophobicContact CB-CE1 4.13Å; K27-Y59 HydrophobicContact CD-CE1 4.4Å; K27-Y59 VanDerWaalsContact O-CA 3.27Å; K27-Y59 WeakPolarHBondContact O-CA 3.48Å; V29-Y59 HydrophobicContact CG2-CD1 4.48Å; L35-Y59 HydrophobicContact CD1-CE1 3.99Å; L35-Y59 HydrophobicContact CD2-CD1 3.72Å; L35-Y59 HydrophobicContact CD2-CE1 3.69Å; L35-Y59 HydrophobicContact CG-CE1 4.48Å; Y59-L70 WeakPolarHBondContact O-CA 3.43Å; Y59-L71 HydrophobicContact CD2-CD2 3.87Å; Y59-L71 HydrophobicContact CD2-CG 4.35Å; Y59-L71 PolarHBondContact N-O 3.31Å; Y59-L71 VanDerWaalsContact N-O 3.11Å; Y59-L71 PolarHBondContact O-N 2.86Å; Y59-L131 HydrophobicContact CD1-CD1 4.24Å; Y59-L131 HydrophobicContact CD1-CD2 4.4Å; Y59-L131 HydrophobicContact CD2-CD2 4.33Å; Y59-L131 HydrophobicContact CE1-CD2 4.06Å; Y59-L131 HydrophobicContact CE2-CD2 3.98Å; Y59-L131 HydrophobicContact CG-CD1 4.15Å
60	F	93.5	Very high	87.4	Confident	19 Å²	19	31.4 Å²	31.4	8%	0.083	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.9	172	79.8	-75	0	0	0	113.3	L26 K27 R28 V29 C45 L68 I69 L70	L26-F60 HydrophobicContact CD1-CD1 3.64Å; L26-F60 HydrophobicContact CD1-CE1 4.31Å; L26-F60 HydrophobicContact CD2-CD1 3.82Å; L26-F60 HydrophobicContact CD2-CE1 3.84Å; L26-F60 HydrophobicContact CG-CD1 3.68Å; L26-F60 HydrophobicContact CG-CE1 3.83Å; K27-F60 WeakPolarHBondContact O-CD1 3.49Å; K27-F60 PolarHBondContact O-N 2.99Å; K27-F60 VanDerWaalsContact O-N 3.1Å; R28-F60 WeakPolarHBondContact CA-O 3.35Å; R28-F60 HydrophobicContact CB-CD1 4.37Å; R28-F60 HydrophobicContact CB-CE1 3.77Å; R28-F60 HydrophobicContact CB-CZ 3.94Å; R28-F60 HydrophobicContact CG-CE1 4.14Å; R28-F60 HydrophobicContact CG-CE2 4.16Å; R28-F60 HydrophobicContact CG-CZ 3.89Å; V29-F60 PolarHBondContact N-O 3.38Å; C45-F60 HydrophobicContact CB-CD2 4.46Å; C45-F60 HydrophobicContact CB-CE1 4.39Å; C45-F60 HydrophobicContact CB-CE2 4.13Å; C45-F60 HydrophobicContact CB-CZ 4.08Å; F60-L68 HydrophobicContact CB-CD1 4.37Å; F60-L68 HydrophobicContact CD2-CD1 4.16Å; F60-I69 CarbonylContact C-O 3.51Å; F60-I69 WeakPolarHBondContact CA-O 3.43Å; F60-L70 HydrophobicContact CB-CD1 3.85Å
61	S	90.3	Very high	88	Confident	8 Å²	8	23.2 Å²	23.2	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	158.4	171.8	-160.7	0	0	0	0	111.9	V29 I69	V29-S61 WeakPolarHBondContact O-CB 3.34Å; V29-S61 PolarHBondContact O-OG 2.89Å; S61-I69 PolarHBondContact N-O 3.34Å; S61-I69 WeakPolarHBondContact O-CG2 3.45Å; S61-I69 PolarHBondContact O-N 2.87Å
62	S	86.6	Confident	88.3	Confident	69 Å²	69	21 Å²	21	48%	0.483	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.2	171	-58	0	0	0	0	109.2	G67	S62-G67 WeakPolarHBondContact CA-O 3.46Å
63	L	85.3	Confident	88.5	Confident	8 Å²	8	22.2 Å²	22.2	4%	0.042	14%	0.141	C	C	.	.			trans	-89.3	158	175.8	-65.1	178.7	0	0	0	111.3	N65 G66 G67 I69 V78 I117 F119	L63-N65 WeakPolarHBondContact CB-OD1 3.5Å; L63-N65 PolarHBondContact O-N 3.37Å; L63-G66 PolarHBondContact O-N 2.97Å; L63-G67 PolarHBondContact N-O 2.92Å; L63-I69 HydrophobicContact CD1-CB 4.45Å; L63-I69 HydrophobicContact CD2-CB 4.13Å; L63-I69 HydrophobicContact CD2-CG2 3.74Å; L63-I69 HydrophobicContact CG-CB 4.29Å; L63-I69 HydrophobicContact CG-CG2 4.16Å; L63-V78 HydrophobicContact CD1-CG1 3.61Å; L63-I117 HydrophobicContact CD1-CG2 4.02Å; L63-I117 HydrophobicContact CD2-CG2 4.17Å; L63-F119 HydrophobicContact CD2-CD1 3.97Å; L63-F119 HydrophobicContact CD2-CE1 3.74Å; L63-F119 HydrophobicContact CD2-CZ 4.24Å
64	A	76.2	Confident	88.8	Confident	62 Å²	62	21.7 Å²	21.7	51%	0.512	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.5	-176.3	0	0	0	0	0	114	G66 E120	A64-G66 VanDerWaalsContact C-N 3.32Å; A64-E120 HydrophobicContact CB-CB 3.78Å; A64-E120 HydrophobicContact CB-CG 4.31Å
65	N	75.9	Confident	89.1	Confident	50 Å²	50	21.7 Å²	21.7	27%	0.267	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.1	-178	63.9	-3.7	0	0	0	114	L63 G67 M80 Q81	L63-N65 WeakPolarHBondContact CB-OD1 3.5Å; L63-N65 PolarHBondContact O-N 3.37Å; N65-G67 PolarHBondContact OD1-N 2.95Å; N65-M80 WeakPolarHBondContact ND2-CA 3.2Å; N65-M80 WeakPolarHBondContact ND2-CB 3.4Å; N65-Q81 VanDerWaalsContact CB-O 3.28Å; N65-Q81 WeakPolarHBondContact CB-O 2.72Å; N65-Q81 PolarHBondContact ND2-N 2.92Å; N65-Q81 PolarHBondContact ND2-O 3.38Å; N65-Q81 WeakPolarHBondContact O-CB 3.48Å
66	G	79	Confident	89.2	Confident	45 Å²	45	21.9 Å²	21.9	46%	0.464	14%	0.138	S	C	.	.	S	Bend	trans	88	6.9	-172.2	0	0	0	0	0	114.1	L63 A64	L63-G66 PolarHBondContact O-N 2.97Å; A64-G66 VanDerWaalsContact C-N 3.32Å
67	G	84.2	Confident	89.3	Confident	5 Å²	5	21 Å²	21	5%	0.052	13%	0.134	C	C	.	.			trans	-73.5	177	172.7	0	0	0	0	0	114.2	S62 L63 N65 T79	S62-G67 WeakPolarHBondContact CA-O 3.46Å; L63-G67 PolarHBondContact N-O 2.92Å; N65-G67 PolarHBondContact OD1-N 2.95Å; G67-T79 WeakPolarHBondContact CA-O 3.33Å
68	L	87.7	Confident	89.3	Confident	30 Å²	30	20.5 Å²	20.5	16%	0.157	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.6	175.3	172.9	70.5	0	0	0	109	P48 F60 V78 T79	P48-L68 HydrophobicContact CG-CD2 4.32Å; F60-L68 HydrophobicContact CB-CD1 4.37Å; F60-L68 HydrophobicContact CD2-CD1 4.16Å; L68-V78 CarbonylContact O-C 3.59Å; L68-V78 VanDerWaalsContact O-CA 3.29Å; L68-V78 WeakPolarHBondContact O-CA 3.43Å; L68-T79 WeakPolarHBondContact CB-OG1 3.33Å; L68-T79 PolarHBondContact N-O 2.93Å; L68-T79 PolarHBondContact N-OG1 3.11Å; L68-T79 PolarHBondContact O-N 3.15Å; L68-T79 PolarHBondContact O-OG1 3.37Å
69	I	92.1	Very high	89	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.2	163.3	-179.9	165.5	0	0	0	108.8	F60 S61 L63 I76 V78 I117 F119 W128	F60-I69 CarbonylContact C-O 3.51Å; F60-I69 WeakPolarHBondContact CA-O 3.43Å; S61-I69 PolarHBondContact N-O 3.34Å; S61-I69 WeakPolarHBondContact O-CG2 3.45Å; S61-I69 PolarHBondContact O-N 2.87Å; L63-I69 HydrophobicContact CD1-CB 4.45Å; L63-I69 HydrophobicContact CD2-CB 4.13Å; L63-I69 HydrophobicContact CD2-CG2 3.74Å; L63-I69 HydrophobicContact CG-CB 4.29Å; L63-I69 HydrophobicContact CG-CG2 4.16Å; I69-I76 HydrophobicContact CD1-CD1 4.14Å; I69-I76 HydrophobicContact CG1-CD1 4.47Å; I69-V78 HydrophobicContact CB-CG2 4.48Å; I69-V78 HydrophobicContact CD1-CG2 4.25Å; I69-V78 HydrophobicContact CG1-CG2 4.04Å; I69-I117 HydrophobicContact CD1-CD1 4.45Å; I69-F119 HydrophobicContact CD1-CE1 4.46Å; I69-F119 HydrophobicContact CD1-CZ 3.81Å; I69-F119 HydrophobicContact CG2-CE1 4.48Å; I69-W128 HydrophobicContact CB-CH2 4.41Å; I69-W128 HydrophobicContact CB-CZ2 4.25Å; I69-W128 HydrophobicContact CD1-CD2 3.63Å; I69-W128 HydrophobicContact CD1-CE3 3.52Å; I69-W128 HydrophobicContact CD1-CG 4.21Å; I69-W128 HydrophobicContact CD1-CH2 4.2Å; I69-W128 HydrophobicContact CD1-CZ2 4.3Å; I69-W128 HydrophobicContact CD1-CZ3 3.81Å; I69-W128 HydrophobicContact CG1-CD2 4.18Å; I69-W128 HydrophobicContact CG1-CE3 3.95Å; I69-W128 HydrophobicContact CG1-CH2 3.69Å; I69-W128 HydrophobicContact CG1-CZ2 3.93Å; I69-W128 HydrophobicContact CG1-CZ3 3.7Å; I69-W128 HydrophobicContact CG2-CD2 4.35Å; I69-W128 HydrophobicContact CG2-CH2 4.13Å; I69-W128 HydrophobicContact CG2-CZ2 3.5Å; I69-W128 VanDerWaalsContact CG2-CZ2 3.5Å
70	L	92.5	Very high	88.3	Confident	0 Å²	0	19 Å²	19	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.6	-175.4	177	71.3	0	0	0	109.1	L47 F49 A57 Y59 F60 T72 F77	L47-L70 HydrophobicContact CD2-CD1 4Å; L47-L70 HydrophobicContact CD2-CD2 3.65Å; F49-L70 HydrophobicContact CE1-CD2 3.94Å; F49-L70 HydrophobicContact CE2-CD2 4.5Å; F49-L70 HydrophobicContact CZ-CD2 3.56Å; A57-L70 HydrophobicContact CB-CD1 3.87Å; Y59-L70 WeakPolarHBondContact O-CA 3.43Å; F60-L70 HydrophobicContact CB-CD1 3.85Å; L70-T72 HydrophobicContact CD2-CG2 4.5Å; L70-T72 HydrophobicContact CG-CG2 4.47Å; L70-F77 HydrophobicContact CB-CB 4.34Å; L70-F77 PolarHBondContact N-O 2.73Å; L70-F77 PolarHBondContact O-N 3.3Å
71	L	95	Very high	87.3	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.9	176.5	173	60.5	0	0	0	108.9	H58 Y59 I76 L91 W128 L132 A135	H58-L71 WeakPolarHBondContact CB-O 3.34Å; H58-L71 PolarHBondContact N-O 2.98Å; Y59-L71 HydrophobicContact CD2-CD2 3.87Å; Y59-L71 HydrophobicContact CD2-CG 4.35Å; Y59-L71 PolarHBondContact N-O 3.31Å; Y59-L71 VanDerWaalsContact N-O 3.11Å; Y59-L71 PolarHBondContact O-N 2.86Å; L71-I76 HydrophobicContact CD1-CB 4.47Å; L71-L91 HydrophobicContact CD1-CD1 3.94Å; L71-L91 HydrophobicContact CD1-CD2 3.42Å; L71-L91 VanDerWaalsContact CD1-CD2 3.42Å; L71-L91 HydrophobicContact CD1-CG 4.22Å; L71-W128 HydrophobicContact CB-CH2 4.13Å; L71-W128 HydrophobicContact CB-CZ3 3.75Å; L71-W128 HydrophobicContact CD2-CZ3 4.31Å; L71-L132 HydrophobicContact CD1-CD1 4.23Å; L71-A135 HydrophobicContact CD1-CB 4.49Å; L71-A135 HydrophobicContact CD2-CB 4.15Å
72	T	94.3	Very high	85.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	178.5	171.2	74.6	0	0	0	0	109.7	L51 E55 F56 L70 F74 R75 L91	L51-T72 HydrophobicContact CD2-CG2 4.12Å; E55-T72 HydrophobicContact CG-CG2 4.28Å; E55-T72 WeakPolarHBondContact OE1-CB 3.46Å; E55-T72 VanDerWaalsContact OE1-CG2 3.32Å; E55-T72 WeakPolarHBondContact OE1-CG2 3.41Å; E55-T72 PolarHBondContact OE1-OG1 2.79Å; F56-T72 WeakPolarHBondContact O-CA 3.33Å; F56-T72 VanDerWaalsContact O-CB 3.27Å; F56-T72 WeakPolarHBondContact O-CB 3.45Å; L70-T72 HydrophobicContact CD2-CG2 4.5Å; L70-T72 HydrophobicContact CG-CG2 4.47Å; T72-F74 PolarHBondContact O-N 2.96Å; T72-F74 PolarHBondContact OG1-N 3.01Å; T72-F74 VanDerWaalsContact OG1-N 3.11Å; T72-R75 PolarHBondContact N-O 3.47Å; T72-R75 WeakPolarHBondContact OG1-CG 3.48Å; T72-R75 PolarHBondContact OG1-N 3.25Å; T72-R75 PolarHBondContact OG1-O 3.48Å; T72-L91 WeakPolarHBondContact O-CD1 3.5Å
73	N	93.7	Very high	84.4	Confident	39 Å²	39	28.9 Å²	28.9	21%	0.209	17%	0.167	C	C	.	.	S	Bend	trans	-72.3	-5.2	169.2	62.6	-35.1	0	0	0	113.5	G54 E55 F56	G54-N73 PolarHBondContact O-ND2 3.47Å; E55-N73 VanDerWaalsContact CA-OD1 3.3Å; E55-N73 WeakPolarHBondContact CA-OD1 3.43Å; F56-N73 HydrophobicContact CD1-CB 4.43Å; F56-N73 HydrophobicContact CE1-CB 3.97Å; F56-N73 VanDerWaalsContact CE1-ND2 3.29Å; F56-N73 WeakPolarHBondContact CE1-ND2 3.28Å; F56-N73 HydrophobicContact CZ-CB 4.08Å; F56-N73 PolarHBondContact N-OD1 3.43Å; F56-N73 PolarHBondContact O-N 3.48Å; F56-N73 PolarHBondContact O-OD1 2.9Å
74	F	94.5	Very high	83.5	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.018	18%	0.176	C	C	.	.	S	Bend	trans	-114.1	-41.8	-178.9	172.6	-122.6	0	0	0	113.3	L52 E55 T72 P90 L91 F146 S507 L509 L814	L52-F74 HydrophobicContact CD1-CD1 4.06Å; L52-F74 HydrophobicContact CD1-CE1 3.89Å; L52-F74 HydrophobicContact CD1-CZ 4.49Å; E55-F74 HydrophobicContact CG-CB 4.06Å; T72-F74 PolarHBondContact O-N 2.96Å; T72-F74 PolarHBondContact OG1-N 3.01Å; T72-F74 VanDerWaalsContact OG1-N 3.11Å; F74-P90 HydrophobicContact CE2-CB 4.3Å; F74-P90 HydrophobicContact CZ-CB 4.42Å; F74-P90 HydrophobicContact CZ-CG 4.28Å; F74-P90 CarbonylContact O-C 3.47Å; F74-P90 WeakPolarHBondContact O-CA 3.28Å; F74-L91 WeakPolarHBondContact O-CG 3.38Å; F74-L91 PolarHBondContact O-N 3.3Å; F74-F146 HydrophobicContact CB-CD1 3.94Å; F74-F146 HydrophobicContact CB-CD2 3.89Å; F74-F146 HydrophobicContact CB-CE1 4.05Å; F74-F146 HydrophobicContact CB-CE2 4.02Å; F74-F146 HydrophobicContact CB-CG 3.86Å; F74-F146 HydrophobicContact CB-CZ 4.11Å; F74-F146 HydrophobicContact CD1-CE1 4.47Å; F74-F146 HydrophobicContact CD2-CB 3.93Å; F74-F146 AromaticContact CD2-CD1 3.24Å; F74-F146 HydrophobicContact CD2-CD1 3.24Å; F74-F146 AromaticContact CD2-CE1 3.86Å; F74-F146 HydrophobicContact CD2-CE1 3.86Å; F74-F146 AromaticContact CD2-CG 3.63Å; F74-F146 HydrophobicContact CD2-CG 3.63Å; F74-F146 AromaticContact CE2-CD1 3.84Å; F74-F146 HydrophobicContact CE2-CD1 3.84Å; F74-F146 HydrophobicContact CE2-CE1 4.43Å; F74-F146 AromaticContact CG-CD1 3.7Å; F74-F146 HydrophobicContact CG-CD1 3.7Å; F74-F146 AromaticContact CG-CE1 3.88Å; F74-F146 HydrophobicContact CG-CE1 3.88Å; F74-F146 HydrophobicContact CG-CG 4.06Å; F74-F146 HydrophobicContact CG-CZ 4.41Å; F74-S507 VanDerWaalsContact CE2-O 3.31Å; F74-S507 WeakPolarHBondContact CE2-O 3.15Å; F74-L509 HydrophobicContact CE2-CB 4.19Å; F74-L509 HydrophobicContact CE2-CD1 4.45Å; F74-L509 HydrophobicContact CZ-CB 4.35Å; F74-L509 HydrophobicContact CZ-CD1 4.49Å; F74-L814 HydrophobicContact CE1-CD2 4.11Å; F74-L814 HydrophobicContact CZ-CD2 4.08Å
75	R	94.5	Very high	83.2	Confident	1 Å²	1	27.1 Å²	27.1	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157	-169.8	53.8	179.1	158.9	173.3	-4.6	112.8	R50 E55 T72 N88 M89 G813	R50-R75 PolarHBondContact O-NH2 3.47Å; E55-R75 WeakPolarHBondContact OE1-CG 3.37Å; E55-R75 IonicContact OE1-CZ 3.68Å; E55-R75 IonicContact OE1-NE 3.21Å; E55-R75 PolarHBondContact OE1-NE 3.37Å; E55-R75 IonicContact OE1-NH2 3.81Å; E55-R75 PolarHBondContact OE1-NH2 3.47Å; E55-R75 IonicContact OE2-CZ 2.64Å; E55-R75 IonicContact OE2-NE 2.8Å; E55-R75 IonicContact OE2-NH2 2.76Å; E55-R75 PolarHBondContact OE2-NH2 3.11Å; T72-R75 PolarHBondContact N-O 3.47Å; T72-R75 WeakPolarHBondContact OG1-CG 3.48Å; T72-R75 PolarHBondContact OG1-N 3.25Å; T72-R75 PolarHBondContact OG1-O 3.48Å; R75-N88 WeakPolarHBondContact CD-OD1 3.49Å; R75-M89 CarbonylContact C-O 3.31Å; R75-M89 VanDerWaalsContact CA-O 3.28Å; R75-M89 WeakPolarHBondContact CA-O 3.45Å; R75-M89 WeakPolarHBondContact CB-O 3.42Å; R75-G813 PolarHBondContact NH1-O 3.14Å
76	I	94.6	Very high	83.5	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.3	160	-173.3	169.4	0	0	0	109.3	I69 L71 V78 N88 M89 L91 I94 I107 I117 L132	I69-I76 HydrophobicContact CD1-CD1 4.14Å; I69-I76 HydrophobicContact CG1-CD1 4.47Å; L71-I76 HydrophobicContact CD1-CB 4.47Å; I76-V78 HydrophobicContact CD1-CG2 4.34Å; I76-V78 HydrophobicContact CG1-CG2 4.14Å; I76-N88 WeakPolarHBondContact O-CA 3.38Å; I76-M89 HydrophobicContact CG2-CB 4.1Å; I76-M89 PolarHBondContact N-O 3.48Å; I76-M89 PolarHBondContact O-N 3.48Å; I76-L91 HydrophobicContact CB-CD2 4.39Å; I76-I94 HydrophobicContact CG2-CD1 3.86Å; I76-I107 HydrophobicContact CD1-CD1 3.93Å; I76-I117 HydrophobicContact CD1-CD1 4.43Å; I76-L132 HydrophobicContact CB-CD1 4.39Å; I76-L132 HydrophobicContact CD1-CD1 3.99Å; I76-L132 HydrophobicContact CD1-CD2 3.85Å
77	F	91.7	Very high	83.9	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.6	178	-170.4	-96.2	0	0	0	110.9	P48 F49 L70 T79 F86 Y87 N88 L805 I809	P48-F77 HydrophobicContact CB-CE1 4.49Å; P48-F77 HydrophobicContact CG-CD1 4.02Å; P48-F77 HydrophobicContact CG-CE1 3.59Å; P48-F77 HydrophobicContact CG-CZ 4.4Å; F49-F77 HydrophobicContact CD1-CD1 4.19Å; F49-F77 HydrophobicContact CD1-CD2 4.02Å; F49-F77 HydrophobicContact CD1-CE1 4.17Å; F49-F77 HydrophobicContact CD1-CE2 4.05Å; F49-F77 HydrophobicContact CD1-CG 4.11Å; F49-F77 HydrophobicContact CD1-CZ 4.12Å; F49-F77 HydrophobicContact CE1-CB 3.73Å; F49-F77 AromaticContact CE1-CD1 3.57Å; F49-F77 HydrophobicContact CE1-CD1 3.57Å; F49-F77 AromaticContact CE1-CD2 3.61Å; F49-F77 HydrophobicContact CE1-CD2 3.61Å; F49-F77 HydrophobicContact CE1-CE1 4.02Å; F49-F77 HydrophobicContact CE1-CE2 4.09Å; F49-F77 AromaticContact CE1-CG 3.34Å; F49-F77 HydrophobicContact CE1-CG 3.34Å; F49-F77 HydrophobicContact CE1-CZ 4.28Å; F49-F77 HydrophobicContact CZ-CB 4.1Å; F49-F77 HydrophobicContact CZ-CG 4.19Å; L70-F77 HydrophobicContact CB-CB 4.34Å; L70-F77 PolarHBondContact N-O 2.73Å; L70-F77 PolarHBondContact O-N 3.3Å; F77-T79 HydrophobicContact CD1-CG2 4.41Å; F77-T79 HydrophobicContact CE1-CG2 3.53Å; F77-T79 HydrophobicContact CZ-CG2 4.07Å; F77-F86 HydrophobicContact CD2-CD2 4.5Å; F77-F86 AromaticContact CE2-CD2 3.52Å; F77-F86 HydrophobicContact CE2-CD2 3.52Å; F77-F86 HydrophobicContact CE2-CE2 4.03Å; F77-F86 HydrophobicContact CE2-CG 4.46Å; F77-F86 HydrophobicContact CZ-CB 4.31Å; F77-F86 AromaticContact CZ-CD2 3.79Å; F77-F86 HydrophobicContact CZ-CD2 3.79Å; F77-F86 HydrophobicContact CZ-CG 4.33Å; F77-Y87 CarbonylContact C-O 3.52Å; F77-Y87 VanDerWaalsContact CA-O 3.3Å; F77-Y87 WeakPolarHBondContact CA-O 3.32Å; F77-N88 HydrophobicContact CD2-CB 3.8Å; F77-N88 HydrophobicContact CE2-CB 4.04Å; F77-L805 HydrophobicContact CE1-CD2 3.32Å; F77-L805 HydrophobicContact CE2-CD2 4.48Å; F77-L805 HydrophobicContact CZ-CD2 3.19Å; F77-L805 HydrophobicContact CZ-CG 3.95Å; F77-I809 HydrophobicContact CE2-CD1 3.93Å
78	V	89.6	Confident	84.2	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.4	-176.9	-172.5	0	0	0	0	109.5	L63 L68 I69 I76 M80 F86 Y87 I117	L63-V78 HydrophobicContact CD1-CG1 3.61Å; L68-V78 CarbonylContact O-C 3.59Å; L68-V78 VanDerWaalsContact O-CA 3.29Å; L68-V78 WeakPolarHBondContact O-CA 3.43Å; I69-V78 HydrophobicContact CB-CG2 4.48Å; I69-V78 HydrophobicContact CD1-CG2 4.25Å; I69-V78 HydrophobicContact CG1-CG2 4.04Å; I76-V78 HydrophobicContact CD1-CG2 4.34Å; I76-V78 HydrophobicContact CG1-CG2 4.14Å; V78-M80 HydrophobicContact CG1-CG 4.37Å; V78-F86 CarbonylContact O-C 3.57Å; V78-F86 WeakPolarHBondContact O-CA 3.45Å; V78-F86 WeakPolarHBondContact O-CB 3.43Å; V78-Y87 HydrophobicContact CB-CD2 4.21Å; V78-Y87 HydrophobicContact CG1-CD2 4.49Å; V78-Y87 PolarHBondContact N-O 3Å; V78-Y87 PolarHBondContact O-N 3.11Å; V78-I117 HydrophobicContact CG1-CG1 4.3Å; V78-I117 HydrophobicContact CG1-CG2 4.06Å; V78-I117 HydrophobicContact CG2-CD1 3.68Å; V78-I117 HydrophobicContact CG2-CG1 4.17Å
79	T	85	Confident	84.4	Confident	25 Å²	25	24.6 Å²	24.6	15%	0.153	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.7	168.2	52.4	0	0	0	0	109.7	G67 L68 F77 E85 F86 L805	G67-T79 WeakPolarHBondContact CA-O 3.33Å; L68-T79 WeakPolarHBondContact CB-OG1 3.33Å; L68-T79 PolarHBondContact N-O 2.93Å; L68-T79 PolarHBondContact N-OG1 3.11Å; L68-T79 PolarHBondContact O-N 3.15Å; L68-T79 PolarHBondContact O-OG1 3.37Å; F77-T79 HydrophobicContact CD1-CG2 4.41Å; F77-T79 HydrophobicContact CE1-CG2 3.53Å; F77-T79 HydrophobicContact CZ-CG2 4.07Å; T79-E85 CarbonylContact C-O 3.6Å; T79-E85 WeakPolarHBondContact CA-O 3.19Å; T79-F86 HydrophobicContact CG2-CB 4.03Å; T79-L805 HydrophobicContact CG2-CD1 4.24Å; T79-L805 HydrophobicContact CG2-CD2 3.5Å; T79-L805 VanDerWaalsContact CG2-CD2 3.5Å
80	M	77.8	Confident	84.5	Confident	24 Å²	24	24.6 Å²	24.6	12%	0.118	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.7	179.8	-63.9	-173.9	62.1	0	0	110	N65 V78 G84 E85 Y87 P118	N65-M80 WeakPolarHBondContact ND2-CA 3.2Å; N65-M80 WeakPolarHBondContact ND2-CB 3.4Å; V78-M80 HydrophobicContact CG1-CG 4.37Å; M80-G84 CarbonylContact O-C 3.58Å; M80-G84 VanDerWaalsContact O-CA 3.26Å; M80-G84 WeakPolarHBondContact O-CA 3.47Å; M80-G84 PolarHBondContact O-N 3.3Å; M80-E85 HydrophobicContact CB-CB 4.29Å; M80-E85 PolarHBondContact N-O 2.89Å; M80-E85 PolarHBondContact O-N 3.2Å; M80-Y87 HydrophobicContact SD-CE2 3.82Å; M80-P118 HydrophobicContact CE-CG 3.44Å; M80-P118 VanDerWaalsContact CE-CG 3.44Å
81	Q	72.2	Confident	84.7	Confident	108 Å²	108	25.4 Å²	25.4	51%	0.505	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	159.6	173.9	-78.4	-165	20.8	0	0	110.6	N65	N65-Q81 VanDerWaalsContact CB-O 3.28Å; N65-Q81 WeakPolarHBondContact CB-O 2.72Å; N65-Q81 PolarHBondContact ND2-N 2.92Å; N65-Q81 PolarHBondContact ND2-O 3.38Å; N65-Q81 WeakPolarHBondContact O-CB 3.48Å
82	P	58.2	Low	84.7	Confident	80 Å²	80	26.6 Å²	26.6	52%	0.519	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.3	-6.1	-1.6	34.5	-35.7	0	0	0	113.8	G84	P82-G84 VanDerWaalsContact C-N 3.3Å; P82-G84 PolarHBondContact O-N 3.43Å
83	R	59.1	Low	84.7	Confident	116 Å²	116	26.5 Å²	26.5	44%	0.438	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-20	-171.5	-68.8	-179.4	-179	-171.7	-0.5	114	E85 V793	R83-E85 VanDerWaalsContact C-N 3.34Å; R83-E85 HydrophobicContact CB-CG 3.65Å; R83-E85 WeakPolarHBondContact CD-OE1 3.49Å; R83-E85 IonicContact NE-OE1 3.53Å; R83-E85 IonicContact NH1-OE1 3.5Å; R83-E85 PolarHBondContact NH1-OE1 3.18Å; R83-V793 VanDerWaalsContact O-CB 3.26Å; R83-V793 WeakPolarHBondContact O-CB 3.44Å; R83-V793 PolarHBondContact O-N 2.81Å
84	G	65.1	Low	84.7	Confident	22 Å²	22	25 Å²	25	23%	0.227	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	13.3	178.3	0	0	0	0	0	114.2	M80 P82 V793	M80-G84 CarbonylContact O-C 3.58Å; M80-G84 VanDerWaalsContact O-CA 3.26Å; M80-G84 WeakPolarHBondContact O-CA 3.47Å; M80-G84 PolarHBondContact O-N 3.3Å; P82-G84 VanDerWaalsContact C-N 3.3Å; P82-G84 PolarHBondContact O-N 3.43Å; G84-V793 WeakPolarHBondContact O-CG2 3.37Å
85	E	70	Confident	84.6	Confident	11 Å²	11	27.5 Å²	27.5	5%	0.051	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	146.9	-179.7	-44.3	171.4	161.8	0	0	109.3	T79 M80 R83 I790	T79-E85 CarbonylContact C-O 3.6Å; T79-E85 WeakPolarHBondContact CA-O 3.19Å; M80-E85 HydrophobicContact CB-CB 4.29Å; M80-E85 PolarHBondContact N-O 2.89Å; M80-E85 PolarHBondContact O-N 3.2Å; R83-E85 VanDerWaalsContact C-N 3.34Å; R83-E85 HydrophobicContact CB-CG 3.65Å; R83-E85 WeakPolarHBondContact CD-OE1 3.49Å; R83-E85 IonicContact NE-OE1 3.53Å; R83-E85 IonicContact NH1-OE1 3.5Å; R83-E85 PolarHBondContact NH1-OE1 3.18Å; E85-I790 HydrophobicContact CB-CG2 3.68Å; E85-I790 HydrophobicContact CG-CB 4.27Å; E85-I790 HydrophobicContact CG-CG2 3.32Å; E85-I790 WeakPolarHBondContact OE1-CB 3.33Å; E85-I790 WeakPolarHBondContact OE1-CD1 3.32Å; E85-I790 WeakPolarHBondContact OE1-CG2 3.46Å; E85-I790 VanDerWaalsContact OE2-CD1 3.28Å; E85-I790 WeakPolarHBondContact OE2-CD1 3.11Å
86	F	83.4	Confident	84.4	Confident	20 Å²	20	29.7 Å²	29.7	9%	0.088	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.5	176.4	81.1	-81.7	0	0	0	112.3	F77 V78 T79 N88 L808 I809 V815	F77-F86 HydrophobicContact CD2-CD2 4.5Å; F77-F86 AromaticContact CE2-CD2 3.52Å; F77-F86 HydrophobicContact CE2-CD2 3.52Å; F77-F86 HydrophobicContact CE2-CE2 4.03Å; F77-F86 HydrophobicContact CE2-CG 4.46Å; F77-F86 HydrophobicContact CZ-CB 4.31Å; F77-F86 AromaticContact CZ-CD2 3.79Å; F77-F86 HydrophobicContact CZ-CD2 3.79Å; F77-F86 HydrophobicContact CZ-CG 4.33Å; V78-F86 CarbonylContact O-C 3.57Å; V78-F86 WeakPolarHBondContact O-CA 3.45Å; V78-F86 WeakPolarHBondContact O-CB 3.43Å; T79-F86 HydrophobicContact CG2-CB 4.03Å; F86-N88 HydrophobicContact CD2-CB 4.32Å; F86-N88 HydrophobicContact CE2-CB 4.1Å; F86-L808 HydrophobicContact CD1-CD1 4.26Å; F86-L808 HydrophobicContact CE1-CB 4.12Å; F86-L808 HydrophobicContact CE1-CD1 3.68Å; F86-L808 HydrophobicContact CZ-CB 3.94Å; F86-L808 HydrophobicContact CZ-CD1 4.36Å; F86-I809 HydrophobicContact CE2-CD1 3.9Å; F86-V815 HydrophobicContact CE2-CG2 3.84Å; F86-V815 HydrophobicContact CZ-CG1 4.12Å; F86-V815 HydrophobicContact CZ-CG2 4.04Å
87	Y	86.3	Confident	84.4	Confident	39 Å²	39	30.3 Å²	30.3	15%	0.153	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.6	174	-60.7	-86.3	0	0	0	108.7	F77 V78 M80 A115 L576	F77-Y87 CarbonylContact C-O 3.52Å; F77-Y87 VanDerWaalsContact CA-O 3.3Å; F77-Y87 WeakPolarHBondContact CA-O 3.32Å; V78-Y87 HydrophobicContact CB-CD2 4.21Å; V78-Y87 HydrophobicContact CG1-CD2 4.49Å; V78-Y87 PolarHBondContact N-O 3Å; V78-Y87 PolarHBondContact O-N 3.11Å; M80-Y87 HydrophobicContact SD-CE2 3.82Å; Y87-A115 HydrophobicContact CD1-CB 3.42Å; Y87-A115 VanDerWaalsContact CD1-CB 3.42Å; Y87-A115 HydrophobicContact CD2-CB 4.35Å; Y87-A115 HydrophobicContact CE1-CB 3.65Å; Y87-A115 HydrophobicContact CG-CB 3.79Å; Y87-L576 HydrophobicContact CD1-CD1 4.38Å; Y87-L576 HydrophobicContact CE1-CD1 3.87Å
88	N	90.4	Very high	84.4	Confident	6 Å²	6	34 Å²	34	3%	0.032	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	107	174.8	-179.9	26.6	0	0	0	108.9	R75 I76 F77 F86 R113 I809 G813 L814 V815	R75-N88 WeakPolarHBondContact CD-OD1 3.49Å; I76-N88 WeakPolarHBondContact O-CA 3.38Å; F77-N88 HydrophobicContact CD2-CB 3.8Å; F77-N88 HydrophobicContact CE2-CB 4.04Å; F86-N88 HydrophobicContact CD2-CB 4.32Å; F86-N88 HydrophobicContact CE2-CB 4.1Å; N88-R113 PolarHBondContact O-NH1 3.22Å; N88-I809 HydrophobicContact CB-CD1 4.35Å; N88-I809 WeakPolarHBondContact ND2-CD1 3.48Å; N88-G813 PolarHBondContact ND2-O 2.93Å; N88-L814 WeakPolarHBondContact ND2-CA 3.48Å; N88-V815 HydrophobicContact CB-CG2 3.92Å
89	M	91.8	Very high	84.5	Confident	12 Å²	12	35.9 Å²	35.9	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.4	-174.3	-163.5	152.8	102.4	0	0	111.4	R75 I76 C93 I94 I107 R113	R75-M89 CarbonylContact C-O 3.31Å; R75-M89 VanDerWaalsContact CA-O 3.28Å; R75-M89 WeakPolarHBondContact CA-O 3.45Å; R75-M89 WeakPolarHBondContact CB-O 3.42Å; I76-M89 HydrophobicContact CG2-CB 4.1Å; I76-M89 PolarHBondContact N-O 3.48Å; I76-M89 PolarHBondContact O-N 3.48Å; M89-C93 HydrophobicContact CG-CB 4.33Å; M89-I94 HydrophobicContact CE-CB 4.05Å; M89-I94 HydrophobicContact CE-CD1 4.11Å; M89-I94 HydrophobicContact CE-CG1 3.51Å; M89-I94 HydrophobicContact CE-CG2 4.23Å; M89-I94 HydrophobicContact CG-CG1 4.43Å; M89-I107 HydrophobicContact CE-CG2 3.42Å; M89-I107 VanDerWaalsContact CE-CG2 3.42Å; M89-R113 HydrophobicContact SD-CB 4.4Å
90	P	95.4	Very high	84.5	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	142.2	171.7	-25.2	36.3	0	0	0	111.6	F74 L92 C93 I94 L814	F74-P90 HydrophobicContact CE2-CB 4.3Å; F74-P90 HydrophobicContact CZ-CB 4.42Å; F74-P90 HydrophobicContact CZ-CG 4.28Å; F74-P90 CarbonylContact O-C 3.47Å; F74-P90 WeakPolarHBondContact O-CA 3.28Å; P90-L92 VanDerWaalsContact C-N 3.3Å; P90-L92 PolarHBondContact O-N 2.88Å; P90-C93 HydrophobicContact CB-CB 4.17Å; P90-C93 VanDerWaalsContact O-CB 3.31Å; P90-C93 WeakPolarHBondContact O-CB 3.28Å; P90-C93 PolarHBondContact O-N 3.07Å; P90-C93 VanDerWaalsContact O-N 3.1Å; P90-I94 WeakPolarHBondContact O-CG1 3.29Å; P90-L814 HydrophobicContact CG-CD2 3.53Å
91	L	95.8	Very high	84.9	Confident	17 Å²	17	43.3 Å²	43.3	9%	0.089	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-62.4	-39.1	-178.8	-63.1	-178.3	0	0	0	112.3	L71 T72 F74 I76 C93 I94 L132 A135 T136	L71-L91 HydrophobicContact CD1-CD1 3.94Å; L71-L91 HydrophobicContact CD1-CD2 3.42Å; L71-L91 VanDerWaalsContact CD1-CD2 3.42Å; L71-L91 HydrophobicContact CD1-CG 4.22Å; T72-L91 WeakPolarHBondContact O-CD1 3.5Å; F74-L91 WeakPolarHBondContact O-CG 3.38Å; F74-L91 PolarHBondContact O-N 3.3Å; I76-L91 HydrophobicContact CB-CD2 4.39Å; L91-C93 PolarHBondContact O-N 3.23Å; L91-I94 HydrophobicContact CD2-CD1 4.18Å; L91-I94 WeakPolarHBondContact O-CB 3.37Å; L91-I94 WeakPolarHBondContact O-CG1 3.48Å; L91-I94 PolarHBondContact O-N 2.95Å; L91-I94 VanDerWaalsContact O-N 3.08Å; L91-L132 HydrophobicContact CD2-CD1 3.99Å; L91-A135 HydrophobicContact CD1-CB 4.26Å; L91-T136 HydrophobicContact CD2-CG2 4.4Å
92	L	94.8	Very high	85.4	Confident	27 Å²	27	43.7 Å²	43.7	14%	0.141	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68.1	-19.6	179.4	-165	61.3	0	0	0	112.9	P90 K110 P139 I145 M461 Y506	P90-L92 VanDerWaalsContact C-N 3.3Å; P90-L92 PolarHBondContact O-N 2.88Å; L92-K110 VanDerWaalsContact O-CE 3.3Å; L92-K110 WeakPolarHBondContact O-CE 3.33Å; L92-K110 PolarHBondContact O-NZ 2.82Å; L92-P139 HydrophobicContact CD1-CG 4.36Å; L92-I145 HydrophobicContact CD2-CD1 4.34Å; L92-I145 HydrophobicContact CD2-CG1 4.43Å; L92-I145 HydrophobicContact CD2-CG2 3.97Å; L92-M461 HydrophobicContact CD2-CE 4.45Å; L92-M461 HydrophobicContact CD2-SD 3.39Å; L92-M461 WeakPolarHBondContact CD2-SD 3.4Å; L92-M461 HydrophobicContact CG-SD 3.95Å; L92-Y506 CarbonylContact C-O 3.59Å
93	C	94.6	Very high	86.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-80.4	-16.9	175.6	-171.4	0	0	0	0	112.5	M89 P90 L91 E95 G109 K110 D111 Y506	M89-C93 HydrophobicContact CG-CB 4.33Å; P90-C93 HydrophobicContact CB-CB 4.17Å; P90-C93 VanDerWaalsContact O-CB 3.31Å; P90-C93 WeakPolarHBondContact O-CB 3.28Å; P90-C93 PolarHBondContact O-N 3.07Å; P90-C93 VanDerWaalsContact O-N 3.1Å; L91-C93 PolarHBondContact O-N 3.23Å; C93-E95 PolarHBondContact O-N 2.99Å; C93-G109 CarbonylContact O-C 3.54Å; C93-G109 WeakPolarHBondContact O-CA 3.4Å; C93-K110 WeakPolarHBondContact O-CG 3.41Å; C93-K110 PolarHBondContact O-N 2.86Å; C93-D111 PolarHBondContact SG-OD1 3.3Å; C93-D111 PolarHBondContact SG-OD2 2.96Å; C93-Y506 PolarHBondContact N-O 3.22Å
94	I	94.4	Very high	88.4	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.4	-178.4	-47.5	-162.9	0	0	0	109.7	I76 M89 P90 L91 V97 I107 L132 T136	I76-I94 HydrophobicContact CG2-CD1 3.86Å; M89-I94 HydrophobicContact CE-CB 4.05Å; M89-I94 HydrophobicContact CE-CD1 4.11Å; M89-I94 HydrophobicContact CE-CG1 3.51Å; M89-I94 HydrophobicContact CE-CG2 4.23Å; M89-I94 HydrophobicContact CG-CG1 4.43Å; P90-I94 WeakPolarHBondContact O-CG1 3.29Å; L91-I94 HydrophobicContact CD2-CD1 4.18Å; L91-I94 WeakPolarHBondContact O-CB 3.37Å; L91-I94 WeakPolarHBondContact O-CG1 3.48Å; L91-I94 PolarHBondContact O-N 2.95Å; L91-I94 VanDerWaalsContact O-N 3.08Å; I94-V97 HydrophobicContact CG2-CG2 3.78Å; I94-I107 HydrophobicContact CB-CG2 4.5Å; I94-I107 HydrophobicContact CD1-CG2 4.01Å; I94-I107 HydrophobicContact CG1-CG2 4.34Å; I94-I107 HydrophobicContact CG2-CG2 3.56Å; I94-L132 HydrophobicContact CD1-CD1 3.98Å; I94-L132 HydrophobicContact CD1-CD2 4.36Å; I94-L132 HydrophobicContact CD1-CG 4.43Å; I94-T136 HydrophobicContact CB-CG2 3.58Å; I94-T136 HydrophobicContact CD1-CG2 3.65Å; I94-T136 HydrophobicContact CG1-CG2 3.89Å; I94-T136 HydrophobicContact CG2-CG2 3.86Å
95	E	91.4	Very high	89.6	Confident	57 Å²	57	41.1 Å²	41.1	27%	0.266	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-45.5	176.8	-170	-171.7	-159.2	0	0	111.5	C93 G108 K110 R363	C93-E95 PolarHBondContact O-N 2.99Å; E95-G108 WeakPolarHBondContact CB-O 3.34Å; E95-G108 PolarHBondContact N-O 3.29Å; E95-K110 HydrophobicContact CB-CG 3.79Å; E95-K110 HydrophobicContact CG-CG 4.33Å; E95-R363 IonicContact OE2-CZ 2.76Å; E95-R363 VanDerWaalsContact OE2-CZ 3.23Å; E95-R363 IonicContact OE2-NH1 3.51Å; E95-R363 PolarHBondContact OE2-NH1 3.38Å; E95-R363 IonicContact OE2-NH2 2.74Å; E95-R363 PolarHBondContact OE2-NH2 3.27Å
96	N	90.5	Very high	90.6	Very high	46 Å²	46	41.7 Å²	41.7	25%	0.246	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.4	-178.2	61.4	68.6	0	0	0	111.4	G108 R363	N96-G108 PolarHBondContact N-O 3.06Å; N96-G108 PolarHBondContact O-N 3.13Å; N96-G108 PolarHBondContact OD1-N 3.46Å; N96-R363 PolarHBondContact ND2-NH2 3.3Å; N96-R363 VanDerWaalsContact ND2-NH2 3.19Å
97	V	94.4	Very high	91	Very high	18 Å²	18	41 Å²	41	11%	0.109	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.4	174.4	-174.7	0	0	0	0	105.8	I94 L105 H106 F129 L132	I94-V97 HydrophobicContact CG2-CG2 3.78Å; V97-L105 HydrophobicContact CG1-CD1 3.5Å; V97-L105 VanDerWaalsContact CG1-CD1 3.5Å; V97-L105 HydrophobicContact CG1-CD2 4.49Å; V97-L105 HydrophobicContact CG1-CG 4.08Å; V97-H106 CarbonylContact C-O 3Å; V97-H106 WeakPolarHBondContact CA-O 3.4Å; V97-F129 HydrophobicContact CG1-CD2 3.92Å; V97-F129 HydrophobicContact CG1-CE2 4.43Å; V97-F129 WeakPolarHBondContact O-CE2 3.11Å; V97-L132 HydrophobicContact CG1-CB 4.39Å; V97-L132 HydrophobicContact CG1-CD2 3.92Å; V97-L132 HydrophobicContact CG1-CG 4.41Å; V97-L132 HydrophobicContact CG2-CB 4.49Å; V97-L132 HydrophobicContact CG2-CD2 3.76Å; V97-L132 HydrophobicContact CG2-CG 3.87Å
98	E	92.2	Very high	91.2	Very high	76 Å²	76	39.2 Å²	39.2	36%	0.355	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.4	-178.6	-67.1	-177.7	178.1	0	0	110.1	R100 H106	E98-R100 HydrophobicContact CB-CG 4.42Å; E98-R100 IonicContact OE2-CZ 2.75Å; E98-R100 VanDerWaalsContact OE2-CZ 3.24Å; E98-R100 IonicContact OE2-NE 3.84Å; E98-R100 PolarHBondContact OE2-NE 3.32Å; E98-R100 IonicContact OE2-NH2 3.42Å; E98-R100 PolarHBondContact OE2-NH2 2.95Å; E98-H106 HydrophobicContact CB-CB 4.3Å; E98-H106 PolarHBondContact N-O 3.46Å; E98-H106 PolarHBondContact O-N 3.48Å
99	C	91.3	Very high	91.3	Very high	42 Å²	42	39 Å²	39	28%	0.284	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.4	166.2	-176.8	0	0	0	0	108.3	F104 F129	C99-F104 CarbonylContact C-O 3.36Å; C99-F104 WeakPolarHBondContact CA-O 3.27Å; C99-F129 HydrophobicContact CB-CD2 4.23Å; C99-F129 HydrophobicContact CB-CG 4.36Å
100	R	86.2	Confident	91.3	Very high	78 Å²	78	39.4 Å²	39.4	29%	0.294	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148	177.5	-65.6	-165.4	-176.9	176.4	5.7	110.4	E98 M102 F103 F104 E368	E98-R100 HydrophobicContact CB-CG 4.42Å; E98-R100 IonicContact OE2-CZ 2.75Å; E98-R100 VanDerWaalsContact OE2-CZ 3.24Å; E98-R100 IonicContact OE2-NE 3.84Å; E98-R100 PolarHBondContact OE2-NE 3.32Å; E98-R100 IonicContact OE2-NH2 3.42Å; E98-R100 PolarHBondContact OE2-NH2 2.95Å; R100-M102 PolarHBondContact O-N 3.25Å; R100-F103 PolarHBondContact O-N 3.5Å; R100-F104 PolarHBondContact N-O 2.93Å; R100-F104 WeakPolarHBondContact O-CB 3.35Å; R100-F104 PolarHBondContact O-N 3.43Å; R100-E368 IonicContact CZ-OE1 2.86Å; R100-E368 IonicContact CZ-OE2 3.58Å; R100-E368 VanDerWaalsContact NH1-CD 3.31Å; R100-E368 IonicContact NH1-OE1 3.24Å; R100-E368 PolarHBondContact NH1-OE1 3.42Å; R100-E368 IonicContact NH1-OE2 3.62Å; R100-E368 PolarHBondContact NH1-OE2 3.05Å; R100-E368 IonicContact NH2-OE1 2.72Å; R100-E368 IonicContact NH2-OE2 2.77Å
101	D	85.3	Confident	91.1	Very high	126 Å²	126	39.5 Å²	39.5	67%	0.674	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	29.7	177.5	-52.2	-40.4	0	0	0	114.6	F103 F104	D101-F103 WeakPolarHBondContact O-CD2 3.36Å; D101-F103 PolarHBondContact O-N 3.42Å; D101-F104 HydrophobicContact CB-CD2 4.13Å
102	M	83.2	Confident	90.7	Very high	117 Å²	117	38.7 Å²	38.7	58%	0.576	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-21.3	-177.4	-59.5	-177.1	-85.5	0	0	116.7	R100 N122	R100-M102 PolarHBondContact O-N 3.25Å; M102-N122 HydrophobicContact CB-CB 4.32Å; M102-N122 WeakPolarHBondContact O-CA 3.27Å; M102-N122 PolarHBondContact O-OD1 2.89Å
103	F	89.4	Confident	90.3	Very high	81 Å²	81	38.7 Å²	38.7	36%	0.355	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	0.2	-171.8	-50.9	-73.8	0	0	0	114.1	R100 D101 F119 N122	R100-F103 PolarHBondContact O-N 3.5Å; D101-F103 WeakPolarHBondContact O-CD2 3.36Å; D101-F103 PolarHBondContact O-N 3.42Å; F103-F119 PolarHBondContact O-N 2.89Å; F103-N122 HydrophobicContact CD1-CB 4.35Å; F103-N122 HydrophobicContact CE1-CB 3.97Å
104	F	89.7	Confident	89.9	Confident	83 Å²	83	40 Å²	40	36%	0.364	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.4	-179.2	-66.2	-90.3	0	0	0	111.4	C99 R100 D101 I117 P118	C99-F104 CarbonylContact C-O 3.36Å; C99-F104 WeakPolarHBondContact CA-O 3.27Å; R100-F104 PolarHBondContact N-O 2.93Å; R100-F104 WeakPolarHBondContact O-CB 3.35Å; R100-F104 PolarHBondContact O-N 3.43Å; D101-F104 HydrophobicContact CB-CD2 4.13Å; F104-I117 WeakPolarHBondContact CA-O 3.3Å; F104-P118 HydrophobicContact CD1-CB 4.1Å; F104-P118 HydrophobicContact CE1-CB 3.79Å
105	L	92.1	Very high	89.5	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.9	167	-168.9	69.7	0	0	0	108.7	V97 I107 I117 F119 W128 F129 L132	V97-L105 HydrophobicContact CG1-CD1 3.5Å; V97-L105 VanDerWaalsContact CG1-CD1 3.5Å; V97-L105 HydrophobicContact CG1-CD2 4.49Å; V97-L105 HydrophobicContact CG1-CG 4.08Å; L105-I107 HydrophobicContact CD2-CD1 4.43Å; L105-I107 HydrophobicContact CG-CG1 4.35Å; L105-I117 HydrophobicContact CB-CB 4.32Å; L105-I117 HydrophobicContact CD2-CD1 4.34Å; L105-I117 PolarHBondContact N-O 3.35Å; L105-I117 PolarHBondContact O-N 2.99Å; L105-F119 HydrophobicContact CB-CD2 4.28Å; L105-F119 HydrophobicContact CB-CE2 3.66Å; L105-F119 HydrophobicContact CD2-CE2 4.17Å; L105-F119 HydrophobicContact CD2-CZ 4.48Å; L105-W128 HydrophobicContact CD2-CB 4.29Å; L105-F129 HydrophobicContact CD1-CB 3.77Å; L105-F129 HydrophobicContact CD1-CD2 4.08Å; L105-F129 HydrophobicContact CD1-CG 4.45Å; L105-L132 HydrophobicContact CD2-CD2 4.12Å
106	H	90.8	Very high	89.2	Confident	22 Å²	22	40.9 Å²	40.9	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.2	173.5	-78	-137	0	0	0	109	V97 E98 A115	V97-H106 CarbonylContact C-O 3Å; V97-H106 WeakPolarHBondContact CA-O 3.4Å; E98-H106 HydrophobicContact CB-CB 4.3Å; E98-H106 PolarHBondContact N-O 3.46Å; E98-H106 PolarHBondContact O-N 3.48Å; H106-A115 CarbonylContact C-O 3.52Å; H106-A115 WeakPolarHBondContact CA-O 3.3Å
107	I	91.8	Very high	89.1	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.9	178.9	-52.7	175.4	0	0	0	108	I76 M89 I94 L105 T114 A115 I117 L132	I76-I107 HydrophobicContact CD1-CD1 3.93Å; M89-I107 HydrophobicContact CE-CG2 3.42Å; M89-I107 VanDerWaalsContact CE-CG2 3.42Å; I94-I107 HydrophobicContact CB-CG2 4.5Å; I94-I107 HydrophobicContact CD1-CG2 4.01Å; I94-I107 HydrophobicContact CG1-CG2 4.34Å; I94-I107 HydrophobicContact CG2-CG2 3.56Å; L105-I107 HydrophobicContact CD2-CD1 4.43Å; L105-I107 HydrophobicContact CG-CG1 4.35Å; I107-T114 CarbonylContact O-C 3.54Å; I107-T114 WeakPolarHBondContact O-CA 3.12Å; I107-T114 WeakPolarHBondContact O-CB 3.42Å; I107-A115 HydrophobicContact CB-CB 4.26Å; I107-A115 PolarHBondContact N-O 3.48Å; I107-A115 PolarHBondContact O-N 3.28Å; I107-I117 HydrophobicContact CD1-CD1 3.5Å; I107-I117 VanDerWaalsContact CD1-CD1 3.5Å; I107-I117 HydrophobicContact CG1-CD1 4.36Å; I107-L132 HydrophobicContact CD1-CD2 3.49Å; I107-L132 VanDerWaalsContact CD1-CD2 3.49Å; I107-L132 HydrophobicContact CG1-CD2 3.92Å
108	G	89.7	Confident	88.8	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.5	173.5	0	0	0	0	0	111.5	E95 N96	E95-G108 WeakPolarHBondContact CB-O 3.34Å; E95-G108 PolarHBondContact N-O 3.29Å; N96-G108 PolarHBondContact N-O 3.06Å; N96-G108 PolarHBondContact O-N 3.13Å; N96-G108 PolarHBondContact OD1-N 3.46Å
109	G	92.1	Very high	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	148.5	175.7	0	0	0	0	0	112.9	C93 D111 G112 R113 R363	C93-G109 CarbonylContact O-C 3.54Å; C93-G109 WeakPolarHBondContact O-CA 3.4Å; G109-D111 PolarHBondContact O-N 2.75Å; G109-G112 PolarHBondContact O-N 3Å; G109-G112 VanDerWaalsContact O-N 3.17Å; G109-R113 WeakPolarHBondContact CA-O 3.43Å; G109-R113 PolarHBondContact N-O 3.5Å; G109-R363 PolarHBondContact O-NH1 3.45Å
110	K	92.6	Very high	88.6	Confident	22 Å²	22	40.8 Å²	40.8	10%	0.096	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.4	174.2	-63.7	169.6	-178	176.4	0	112.5	L92 C93 E95 F359 L459 G460 Y506	L92-K110 VanDerWaalsContact O-CE 3.3Å; L92-K110 WeakPolarHBondContact O-CE 3.33Å; L92-K110 PolarHBondContact O-NZ 2.82Å; C93-K110 WeakPolarHBondContact O-CG 3.41Å; C93-K110 PolarHBondContact O-N 2.86Å; E95-K110 HydrophobicContact CB-CG 3.79Å; E95-K110 HydrophobicContact CG-CG 4.33Å; K110-F359 WeakPolarHBondContact O-CE1 3.43Å; K110-L459 VanDerWaalsContact CD-O 3.31Å; K110-L459 WeakPolarHBondContact CD-O 3.42Å; K110-L459 WeakPolarHBondContact CE-O 3.31Å; K110-L459 PolarHBondContact NZ-O 3.39Å; K110-G460 PolarHBondContact NZ-O 3.01Å; K110-Y506 HydrophobicContact CB-CD1 3.56Å; K110-Y506 HydrophobicContact CB-CE1 3.62Å; K110-Y506 HydrophobicContact CB-CG 4.26Å; K110-Y506 HydrophobicContact CD-CD1 3.84Å; K110-Y506 HydrophobicContact CD-CE1 4.27Å; K110-Y506 HydrophobicContact CG-CD1 4.38Å
111	D	89.9	Confident	88.7	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.011	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	0.8	174.7	62.8	-2.9	0	0	0	113.5	C93 G109 R113 Y506	C93-D111 PolarHBondContact SG-OD1 3.3Å; C93-D111 PolarHBondContact SG-OD2 2.96Å; G109-D111 PolarHBondContact O-N 2.75Å; D111-R113 PolarHBondContact OD1-N 2.92Å; D111-R113 IonicContact OD1-NE 3.99Å; D111-R113 IonicContact OD2-CZ 3.9Å; D111-R113 IonicContact OD2-NE 3.91Å; D111-R113 PolarHBondContact OD2-NE 3.49Å; D111-R113 IonicContact OD2-NH2 3.04Å; D111-R113 PolarHBondContact OD2-NH2 3.09Å; D111-Y506 HydrophobicContact CB-CD2 3.98Å; D111-Y506 HydrophobicContact CB-CE2 4.32Å
112	G	87.5	Confident	89	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	97.8	-16.3	178.2	0	0	0	0	0	114.2	G109 R363 F367	G109-G112 PolarHBondContact O-N 3Å; G109-G112 VanDerWaalsContact O-N 3.17Å; G112-R363 WeakPolarHBondContact O-CD 3.24Å; G112-R363 WeakPolarHBondContact O-CG 3.46Å; G112-F367 WeakPolarHBondContact O-CE2 3.44Å
113	R	87.5	Confident	89.4	Confident	26 Å²	26	35.2 Å²	35.2	10%	0.098	17%	0.17	C	C	.	.			trans	-65.2	149.9	179.1	-66.8	-175.7	-67.7	160.8	-5	111.4	N88 M89 G109 D111 V572 P575	N88-R113 PolarHBondContact O-NH1 3.22Å; M89-R113 HydrophobicContact SD-CB 4.4Å; G109-R113 WeakPolarHBondContact CA-O 3.43Å; G109-R113 PolarHBondContact N-O 3.5Å; D111-R113 PolarHBondContact OD1-N 2.92Å; D111-R113 IonicContact OD1-NE 3.99Å; D111-R113 IonicContact OD2-CZ 3.9Å; D111-R113 IonicContact OD2-NE 3.91Å; D111-R113 PolarHBondContact OD2-NE 3.49Å; D111-R113 IonicContact OD2-NH2 3.04Å; D111-R113 PolarHBondContact OD2-NH2 3.09Å; R113-V572 WeakPolarHBondContact CG-O 3.31Å; R113-P575 HydrophobicContact CG-CG 4.27Å
114	T	85.7	Confident	89.5	Confident	27 Å²	27	31.8 Å²	31.8	17%	0.166	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154	170.7	71.5	0	0	0	0	111.4	I107 R363 F367	I107-T114 CarbonylContact O-C 3.54Å; I107-T114 WeakPolarHBondContact O-CA 3.12Å; I107-T114 WeakPolarHBondContact O-CB 3.42Å; T114-R363 HydrophobicContact CG2-CG 3.57Å; T114-F367 HydrophobicContact CG2-CB 4.27Å; T114-F367 HydrophobicContact CG2-CD2 3.55Å; T114-F367 HydrophobicContact CG2-CE2 3.9Å; T114-F367 HydrophobicContact CG2-CG 3.91Å; T114-F367 HydrophobicContact CG2-CZ 4.48Å; T114-F367 WeakPolarHBondContact OG1-CB 3.35Å; T114-F367 WeakPolarHBondContact OG1-CD1 3.41Å; T114-F367 WeakPolarHBondContact OG1-CD2 3.44Å; T114-F367 VanDerWaalsContact OG1-CE1 3.32Å; T114-F367 WeakPolarHBondContact OG1-CE1 3.36Å; T114-F367 WeakPolarHBondContact OG1-CG 3.46Å
115	A	85.9	Confident	89.6	Confident	8 Å²	8	27.8 Å²	27.8	7%	0.066	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141	173.6	0	0	0	0	0	110.2	Y87 H106 I107	Y87-A115 HydrophobicContact CD1-CB 3.42Å; Y87-A115 VanDerWaalsContact CD1-CB 3.42Å; Y87-A115 HydrophobicContact CD2-CB 4.35Å; Y87-A115 HydrophobicContact CE1-CB 3.65Å; Y87-A115 HydrophobicContact CG-CB 3.79Å; H106-A115 CarbonylContact C-O 3.52Å; H106-A115 WeakPolarHBondContact CA-O 3.3Å; I107-A115 HydrophobicContact CB-CB 4.26Å; I107-A115 PolarHBondContact N-O 3.48Å; I107-A115 PolarHBondContact O-N 3.28Å
116	K	86	Confident	89.7	Confident	76 Å²	76	30.8 Å²	30.8	33%	0.33	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	110.3	173.6	-61.6	-179.5	-172.4	168.1	0	108.2	F367	K116-F367 PolarHBondContact NZ-O 2.81Å
117	I	88.5	Confident	89.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.1	-172.1	-54.6	158.5	0	0	0	108.9	L63 I69 I76 V78 F104 L105 I107 F119	L63-I117 HydrophobicContact CD1-CG2 4.02Å; L63-I117 HydrophobicContact CD2-CG2 4.17Å; I69-I117 HydrophobicContact CD1-CD1 4.45Å; I76-I117 HydrophobicContact CD1-CD1 4.43Å; V78-I117 HydrophobicContact CG1-CG1 4.3Å; V78-I117 HydrophobicContact CG1-CG2 4.06Å; V78-I117 HydrophobicContact CG2-CD1 3.68Å; V78-I117 HydrophobicContact CG2-CG1 4.17Å; F104-I117 WeakPolarHBondContact CA-O 3.3Å; L105-I117 HydrophobicContact CB-CB 4.32Å; L105-I117 HydrophobicContact CD2-CD1 4.34Å; L105-I117 PolarHBondContact N-O 3.35Å; L105-I117 PolarHBondContact O-N 2.99Å; I107-I117 HydrophobicContact CD1-CD1 3.5Å; I107-I117 VanDerWaalsContact CD1-CD1 3.5Å; I107-I117 HydrophobicContact CG1-CD1 4.36Å; I117-F119 HydrophobicContact CB-CE2 4.27Å; I117-F119 HydrophobicContact CG2-CD2 4.47Å; I117-F119 HydrophobicContact CG2-CE2 3.85Å; I117-F119 HydrophobicContact CG2-CZ 4.17Å
118	P	88.2	Confident	90	Very high	31 Å²	31	30.1 Å²	30.1	20%	0.201	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140	176.4	31.6	-32.6	0	0	0	111.4	M80 F104	M80-P118 HydrophobicContact CE-CG 3.44Å; M80-P118 VanDerWaalsContact CE-CG 3.44Å; F104-P118 HydrophobicContact CD1-CB 4.1Å; F104-P118 HydrophobicContact CE1-CB 3.79Å
119	F	90.5	Very high	90.3	Very high	12 Å²	12	33 Å²	33	5%	0.053	17%	0.165	C	C	.	.			trans	-114.4	157	172.8	-74.4	-87.3	0	0	0	111.3	L63 I69 F103 L105 I117 N121 S124 C125 W128	L63-F119 HydrophobicContact CD2-CD1 3.97Å; L63-F119 HydrophobicContact CD2-CE1 3.74Å; L63-F119 HydrophobicContact CD2-CZ 4.24Å; I69-F119 HydrophobicContact CD1-CE1 4.46Å; I69-F119 HydrophobicContact CD1-CZ 3.81Å; I69-F119 HydrophobicContact CG2-CE1 4.48Å; F103-F119 PolarHBondContact O-N 2.89Å; L105-F119 HydrophobicContact CB-CD2 4.28Å; L105-F119 HydrophobicContact CB-CE2 3.66Å; L105-F119 HydrophobicContact CD2-CE2 4.17Å; L105-F119 HydrophobicContact CD2-CZ 4.48Å; I117-F119 HydrophobicContact CB-CE2 4.27Å; I117-F119 HydrophobicContact CG2-CD2 4.47Å; I117-F119 HydrophobicContact CG2-CE2 3.85Å; I117-F119 HydrophobicContact CG2-CZ 4.17Å; F119-N121 VanDerWaalsContact C-N 3.3Å; F119-N121 PolarHBondContact O-N 3.45Å; F119-S124 VanDerWaalsContact CD1-OG 3.27Å; F119-S124 WeakPolarHBondContact CD1-OG 3.26Å; F119-C125 HydrophobicContact CB-CB 3.9Å; F119-C125 HydrophobicContact CD2-CB 3.92Å; F119-C125 HydrophobicContact CG-CB 3.97Å; F119-W128 HydrophobicContact CE1-CB 4.04Å; F119-W128 AromaticContact CE1-CD1 3.23Å; F119-W128 HydrophobicContact CE1-CD2 4.49Å; F119-W128 AromaticContact CE1-CG 3.65Å; F119-W128 HydrophobicContact CE1-CG 3.65Å; F119-W128 AromaticContact CE1-NE1 3.83Å; F119-W128 HydrophobicContact CE2-CB 4.34Å; F119-W128 HydrophobicContact CZ-CB 3.59Å; F119-W128 AromaticContact CZ-CD1 3.67Å; F119-W128 HydrophobicContact CZ-CD2 4.36Å; F119-W128 AromaticContact CZ-CG 3.56Å; F119-W128 HydrophobicContact CZ-CG 3.56Å
120	E	87.6	Confident	90.4	Very high	136 Å²	136	40.1 Å²	40.1	64%	0.636	20%	0.196	S	C	*	.	S	Bend	trans	-66.4	-35.6	178.3	-171.2	-178.8	174.3	0	0	111.9	A64	A64-E120 HydrophobicContact CB-CB 3.78Å; A64-E120 HydrophobicContact CB-CG 4.31Å
121	N	89.6	Confident	90.5	Very high	39 Å²	39	40.6 Å²	40.6	21%	0.209	20%	0.199	C	C	.	.	S	Bend	trans	-149.5	165	-175.6	65.6	50.5	0	0	0	111.6	S31 F119 E123 S124 C125	S31-N121 PolarHBondContact O-ND2 3.34Å; S31-N121 PolarHBondContact O-OD1 3Å; F119-N121 VanDerWaalsContact C-N 3.3Å; F119-N121 PolarHBondContact O-N 3.45Å; N121-E123 VanDerWaalsContact C-N 3.33Å; N121-E123 PolarHBondContact O-N 3.12Å; N121-E123 PolarHBondContact OD1-N 3.3Å; N121-S124 WeakPolarHBondContact OD1-CB 3.37Å; N121-S124 PolarHBondContact OD1-N 3.26Å; N121-C125 PolarHBondContact O-N 3.03Å
122	N	91.2	Very high	90.7	Very high	55 Å²	55	40.5 Å²	40.5	29%	0.294	20%	0.199	S	C	.	.	H	α-helix	trans	-68.2	-31.8	-177.1	-177.5	35.6	0	0	0	112.2	M102 F103 C125 L126	M102-N122 HydrophobicContact CB-CB 4.32Å; M102-N122 WeakPolarHBondContact O-CA 3.27Å; M102-N122 PolarHBondContact O-OD1 2.89Å; F103-N122 HydrophobicContact CD1-CB 4.35Å; F103-N122 HydrophobicContact CE1-CB 3.97Å; N122-C125 PolarHBondContact O-N 2.78Å; N122-L126 WeakPolarHBondContact O-CB 3.47Å; N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.5Å; N122-L126 PolarHBondContact O-N 3.16Å; N122-L126 WeakPolarHBondContact OD1-CD1 3.49Å; N122-L126 WeakPolarHBondContact OD1-CG 3.49Å
123	E	92.2	Very high	91	Very high	111 Å²	111	43.3 Å²	43.3	52%	0.519	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-49.5	-179.6	-65.1	177.2	174.4	0	0	111.3	R32 N121 L126 A127	R32-E123 WeakPolarHBondContact CA-OE2 3.46Å; N121-E123 VanDerWaalsContact C-N 3.33Å; N121-E123 PolarHBondContact O-N 3.12Å; N121-E123 PolarHBondContact OD1-N 3.3Å; E123-L126 PolarHBondContact O-N 3.49Å; E123-A127 WeakPolarHBondContact O-CB 3.3Å; E123-A127 PolarHBondContact O-N 3.17Å
124	S	90.4	Very high	91.3	Very high	8 Å²	8	44.6 Å²	44.6	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-42.8	174.5	-178.3	0	0	0	0	111.6	F119 N121 L126 A127 W128	F119-S124 VanDerWaalsContact CD1-OG 3.27Å; F119-S124 WeakPolarHBondContact CD1-OG 3.26Å; N121-S124 WeakPolarHBondContact OD1-CB 3.37Å; N121-S124 PolarHBondContact OD1-N 3.26Å; S124-L126 PolarHBondContact O-N 3.28Å; S124-A127 PolarHBondContact O-N 3.26Å; S124-W128 PolarHBondContact O-N 3.5Å
125	C	92.8	Very high	91.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-48.1	177.2	-170.3	0	0	0	0	111.2	F119 N121 N122 A127 W128 F129	F119-C125 HydrophobicContact CB-CB 3.9Å; F119-C125 HydrophobicContact CD2-CB 3.92Å; F119-C125 HydrophobicContact CG-CB 3.97Å; N121-C125 PolarHBondContact O-N 3.03Å; N122-C125 PolarHBondContact O-N 2.78Å; C125-A127 PolarHBondContact O-N 3.35Å; C125-W128 PolarHBondContact O-N 3.06Å; C125-F129 WeakPolarHBondContact O-CB 3.44Å; C125-F129 PolarHBondContact O-N 3.12Å
126	L	93.6	Very high	91.8	Very high	63 Å²	63	46.5 Å²	46.5	33%	0.33	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-35.6	178.5	-73.6	171.9	0	0	0	112.8	N122 E123 S124 K130	N122-L126 WeakPolarHBondContact O-CB 3.47Å; N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.5Å; N122-L126 PolarHBondContact O-N 3.16Å; N122-L126 WeakPolarHBondContact OD1-CD1 3.49Å; N122-L126 WeakPolarHBondContact OD1-CG 3.49Å; E123-L126 PolarHBondContact O-N 3.49Å; S124-L126 PolarHBondContact O-N 3.28Å; L126-K130 VanDerWaalsContact O-CG 3.32Å; L126-K130 WeakPolarHBondContact O-CG 3.49Å; L126-K130 PolarHBondContact O-N 2.84Å
127	A	93.9	Very high	91.8	Very high	14 Å²	14	45.8 Å²	45.8	12%	0.116	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-48.8	174.9	0	0	0	0	0	111	V29 E123 S124 C125 K130 L131	V29-A127 HydrophobicContact CG1-CB 4.04Å; E123-A127 WeakPolarHBondContact O-CB 3.3Å; E123-A127 PolarHBondContact O-N 3.17Å; S124-A127 PolarHBondContact O-N 3.26Å; C125-A127 PolarHBondContact O-N 3.35Å; A127-K130 PolarHBondContact O-N 3.03Å; A127-L131 WeakPolarHBondContact O-CG 3.18Å; A127-L131 PolarHBondContact O-N 3.5Å
128	W	94.9	Very high	91.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-37.9	176.3	-84.4	96.8	0	0	0	113.1	V29 I69 L71 L105 F119 S124 C125 K130 L131 L132	V29-W128 HydrophobicContact CB-CZ2 4.37Å; V29-W128 HydrophobicContact CG2-CZ2 3.86Å; I69-W128 HydrophobicContact CB-CH2 4.41Å; I69-W128 HydrophobicContact CB-CZ2 4.25Å; I69-W128 HydrophobicContact CD1-CD2 3.63Å; I69-W128 HydrophobicContact CD1-CE3 3.52Å; I69-W128 HydrophobicContact CD1-CG 4.21Å; I69-W128 HydrophobicContact CD1-CH2 4.2Å; I69-W128 HydrophobicContact CD1-CZ2 4.3Å; I69-W128 HydrophobicContact CD1-CZ3 3.81Å; I69-W128 HydrophobicContact CG1-CD2 4.18Å; I69-W128 HydrophobicContact CG1-CE3 3.95Å; I69-W128 HydrophobicContact CG1-CH2 3.69Å; I69-W128 HydrophobicContact CG1-CZ2 3.93Å; I69-W128 HydrophobicContact CG1-CZ3 3.7Å; I69-W128 HydrophobicContact CG2-CD2 4.35Å; I69-W128 HydrophobicContact CG2-CH2 4.13Å; I69-W128 HydrophobicContact CG2-CZ2 3.5Å; I69-W128 VanDerWaalsContact CG2-CZ2 3.5Å; L71-W128 HydrophobicContact CB-CH2 4.13Å; L71-W128 HydrophobicContact CB-CZ3 3.75Å; L71-W128 HydrophobicContact CD2-CZ3 4.31Å; L105-W128 HydrophobicContact CD2-CB 4.29Å; F119-W128 HydrophobicContact CE1-CB 4.04Å; F119-W128 AromaticContact CE1-CD1 3.23Å; F119-W128 HydrophobicContact CE1-CD2 4.49Å; F119-W128 AromaticContact CE1-CG 3.65Å; F119-W128 HydrophobicContact CE1-CG 3.65Å; F119-W128 AromaticContact CE1-NE1 3.83Å; F119-W128 HydrophobicContact CE2-CB 4.34Å; F119-W128 HydrophobicContact CZ-CB 3.59Å; F119-W128 AromaticContact CZ-CD1 3.67Å; F119-W128 HydrophobicContact CZ-CD2 4.36Å; F119-W128 AromaticContact CZ-CG 3.56Å; F119-W128 HydrophobicContact CZ-CG 3.56Å; S124-W128 PolarHBondContact O-N 3.5Å; C125-W128 PolarHBondContact O-N 3.06Å; W128-K130 PolarHBondContact O-N 2.89Å; W128-L131 PolarHBondContact O-N 3.23Å; W128-L132 VanDerWaalsContact O-CB 3.25Å; W128-L132 WeakPolarHBondContact O-CB 3.16Å; W128-L132 PolarHBondContact O-N 3.3Å
129	F	95.1	Very high	91.4	Very high	62 Å²	62	46.3 Å²	46.3	27%	0.272	27%	0.266	S	S	.	.	H	α-helix	trans	-55.8	-49	171.4	169.3	-99.1	0	0	0	111.5	V97 C99 L105 C125 T133	V97-F129 HydrophobicContact CG1-CD2 3.92Å; V97-F129 HydrophobicContact CG1-CE2 4.43Å; V97-F129 WeakPolarHBondContact O-CE2 3.11Å; C99-F129 HydrophobicContact CB-CD2 4.23Å; C99-F129 HydrophobicContact CB-CG 4.36Å; L105-F129 HydrophobicContact CD1-CB 3.77Å; L105-F129 HydrophobicContact CD1-CD2 4.08Å; L105-F129 HydrophobicContact CD1-CG 4.45Å; C125-F129 WeakPolarHBondContact O-CB 3.44Å; C125-F129 PolarHBondContact O-N 3.12Å; F129-T133 WeakPolarHBondContact O-CB 3.25Å; F129-T133 PolarHBondContact O-N 3.19Å; F129-T133 PolarHBondContact O-OG1 3.41Å
130	K	94.5	Very high	91.1	Very high	150 Å²	150	54.9 Å²	54.9	65%	0.652	30%	0.299	S	S	*	.	H	α-helix	trans	-64.5	-46.6	178.5	-72.1	172.7	-176.1	176.5	0	112	L126 A127 W128 G134	L126-K130 VanDerWaalsContact O-CG 3.32Å; L126-K130 WeakPolarHBondContact O-CG 3.49Å; L126-K130 PolarHBondContact O-N 2.84Å; A127-K130 PolarHBondContact O-N 3.03Å; W128-K130 PolarHBondContact O-N 2.89Å; K130-G134 PolarHBondContact O-N 2.9Å
131	L	94.6	Very high	91.1	Very high	32 Å²	32	52.4 Å²	52.4	17%	0.168	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-49.5	179.1	-72.9	173.1	0	0	0	111.4	V29 L35 Y59 A127 W128 G134 A135	V29-L131 HydrophobicContact CG2-CD1 3.6Å; L35-L131 HydrophobicContact CD2-CD1 4.22Å; L35-L131 HydrophobicContact CD2-CD2 4.48Å; Y59-L131 HydrophobicContact CD1-CD1 4.24Å; Y59-L131 HydrophobicContact CD1-CD2 4.4Å; Y59-L131 HydrophobicContact CD2-CD2 4.33Å; Y59-L131 HydrophobicContact CE1-CD2 4.06Å; Y59-L131 HydrophobicContact CE2-CD2 3.98Å; Y59-L131 HydrophobicContact CG-CD1 4.15Å; A127-L131 WeakPolarHBondContact O-CG 3.18Å; A127-L131 PolarHBondContact O-N 3.5Å; W128-L131 PolarHBondContact O-N 3.23Å; L131-G134 PolarHBondContact O-N 2.72Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 3.23Å
132	L	94.8	Very high	91	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-43.2	-177.9	-168.5	62.5	0	0	0	111.3	L71 I76 L91 I94 V97 L105 I107 W128 G134 A135 T136	L71-L132 HydrophobicContact CD1-CD1 4.23Å; I76-L132 HydrophobicContact CB-CD1 4.39Å; I76-L132 HydrophobicContact CD1-CD1 3.99Å; I76-L132 HydrophobicContact CD1-CD2 3.85Å; L91-L132 HydrophobicContact CD2-CD1 3.99Å; I94-L132 HydrophobicContact CD1-CD1 3.98Å; I94-L132 HydrophobicContact CD1-CD2 4.36Å; I94-L132 HydrophobicContact CD1-CG 4.43Å; V97-L132 HydrophobicContact CG1-CB 4.39Å; V97-L132 HydrophobicContact CG1-CD2 3.92Å; V97-L132 HydrophobicContact CG1-CG 4.41Å; V97-L132 HydrophobicContact CG2-CB 4.49Å; V97-L132 HydrophobicContact CG2-CD2 3.76Å; V97-L132 HydrophobicContact CG2-CG 3.87Å; L105-L132 HydrophobicContact CD2-CD2 4.12Å; I107-L132 HydrophobicContact CD1-CD2 3.49Å; I107-L132 VanDerWaalsContact CD1-CD2 3.49Å; I107-L132 HydrophobicContact CG1-CD2 3.92Å; W128-L132 VanDerWaalsContact O-CB 3.25Å; W128-L132 WeakPolarHBondContact O-CB 3.16Å; W128-L132 PolarHBondContact O-N 3.3Å; L132-G134 PolarHBondContact O-N 3.49Å; L132-A135 PolarHBondContact O-N 3.25Å; L132-A135 VanDerWaalsContact O-N 3.09Å; L132-T136 HydrophobicContact CD1-CG2 3.93Å; L132-T136 HydrophobicContact CG-CG2 4.09Å; L132-T136 WeakPolarHBondContact O-CB 3.12Å; L132-T136 VanDerWaalsContact O-CG2 3.3Å; L132-T136 WeakPolarHBondContact O-CG2 3.39Å; L132-T136 PolarHBondContact O-N 3.47Å; L132-T136 PolarHBondContact O-OG1 3.2Å
133	T	94.3	Very high	91	Very high	60 Å²	60	50 Å²	50	37%	0.368	27%	0.272	S	S	.	.	H	α-helix	trans	-57.9	-38.9	175.3	-58.7	0	0	0	0	111.7	F129 A137	F129-T133 WeakPolarHBondContact O-CB 3.25Å; F129-T133 PolarHBondContact O-N 3.19Å; F129-T133 PolarHBondContact O-OG1 3.41Å; T133-A137 PolarHBondContact O-N 2.89Å
134	G	92	Very high	90.9	Very high	53 Å²	53	49 Å²	49	55%	0.546	27%	0.27	S	S	.	.	H	α-helix	trans	-67.3	-43.8	173.8	0	0	0	0	0	112.9	K130 L131 L132 T136 A137	K130-G134 PolarHBondContact O-N 2.9Å; L131-G134 PolarHBondContact O-N 2.72Å; L132-G134 PolarHBondContact O-N 3.49Å; G134-T136 VanDerWaalsContact C-N 3.33Å; G134-T136 PolarHBondContact O-N 2.84Å; G134-A137 WeakPolarHBondContact O-CB 3.32Å; G134-A137 PolarHBondContact O-N 2.83Å
135	A	91.7	Very high	91.1	Very high	44 Å²	44	49 Å²	49	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-70.3	-25.9	-179.7	0	0	0	0	0	113.7	L71 L91 L131 L132	L71-A135 HydrophobicContact CD1-CB 4.49Å; L71-A135 HydrophobicContact CD2-CB 4.15Å; L91-A135 HydrophobicContact CD1-CB 4.26Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 3.23Å; L132-A135 PolarHBondContact O-N 3.25Å; L132-A135 VanDerWaalsContact O-N 3.09Å
136	T	91.2	Very high	91.2	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.19	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6	178.7	64.2	0	0	0	0	112.8	L91 I94 L132 G134 A138	L91-T136 HydrophobicContact CD2-CG2 4.4Å; I94-T136 HydrophobicContact CB-CG2 3.58Å; I94-T136 HydrophobicContact CD1-CG2 3.65Å; I94-T136 HydrophobicContact CG1-CG2 3.89Å; I94-T136 HydrophobicContact CG2-CG2 3.86Å; L132-T136 HydrophobicContact CD1-CG2 3.93Å; L132-T136 HydrophobicContact CG-CG2 4.09Å; L132-T136 WeakPolarHBondContact O-CB 3.12Å; L132-T136 VanDerWaalsContact O-CG2 3.3Å; L132-T136 WeakPolarHBondContact O-CG2 3.39Å; L132-T136 PolarHBondContact O-N 3.47Å; L132-T136 PolarHBondContact O-OG1 3.2Å; G134-T136 VanDerWaalsContact C-N 3.33Å; G134-T136 PolarHBondContact O-N 2.84Å; T136-A138 PolarHBondContact O-N 3.22Å
137	A	87.1	Confident	91.2	Very high	60 Å²	60	46.7 Å²	46.7	50%	0.496	26%	0.257	S	S	.	.	S	Bend	trans	-58.2	136.1	171.8	0	0	0	0	0	109.1	T133 G134	T133-A137 PolarHBondContact O-N 2.89Å; G134-A137 WeakPolarHBondContact O-CB 3.32Å; G134-A137 PolarHBondContact O-N 2.83Å
138	A	81	Confident	91.2	Very high	23 Å²	23	46.2 Å²	46.2	19%	0.19	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-59.1	128	-178.1	0	0	0	0	0	109.7	T136 Y140 N463	T136-A138 PolarHBondContact O-N 3.22Å; A138-Y140 PolarHBondContact O-N 3.18Å; A138-N463 HydrophobicContact CB-CB 4.08Å
139	P	86.6	Confident	91.1	Very high	19 Å²	19	46.6 Å²	46.6	12%	0.123	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.8	138.5	-173.2	24.2	-32.4	0	0	0	110.6	L92 D144 I145 M461 N463	L92-P139 HydrophobicContact CD1-CG 4.36Å; P139-D144 HydrophobicContact CB-CB 3.86Å; P139-I145 HydrophobicContact CB-CG1 4.43Å; P139-I145 HydrophobicContact CG-CD1 4.32Å; P139-I145 HydrophobicContact CG-CG1 3.82Å; P139-M461 WeakPolarHBondContact CD-O 3.49Å; P139-M461 WeakPolarHBondContact CG-O 3.26Å; P139-N463 PolarHBondContact O-N 3.11Å; P139-N463 VanDerWaalsContact O-N 3.1Å
140	Y	83.8	Confident	90.9	Very high	192 Å²	192	43.7 Å²	43.7	75%	0.753	24%	0.243	S	C	*	.	S	Bend	trans	-77.7	-42.4	178.7	-76.6	-82.6	0	0	0	111.1	A138 N463	A138-Y140 PolarHBondContact O-N 3.18Å; Y140-N463 WeakPolarHBondContact CE1-ND2 3.36Å
141	K	87.2	Confident	90.5	Very high	84 Å²	84	36.8 Å²	36.8	37%	0.365	21%	0.213	S	C	.	.	S	Bend	trans	-104.6	147.8	174.8	-60.1	-172.6	-178.6	-162.6	0	109.8	E143 D144	K141-E143 PolarHBondContact O-N 3.38Å; K141-D144 WeakPolarHBondContact CB-OD2 3.42Å; K141-D144 PolarHBondContact N-OD2 3.07Å; K141-D144 WeakPolarHBondContact O-CB 3.46Å; K141-D144 PolarHBondContact O-N 3.03Å
142	L	88.6	Confident	90.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.7	-34.6	178.6	-166.6	67.2	0	0	0	110.9	D144 I145 F148 Q462 L514 M524 I526	L142-D144 PolarHBondContact O-N 3.03Å; L142-I145 HydrophobicContact CD1-CD1 3.77Å; L142-I145 VanDerWaalsContact O-CB 3.28Å; L142-I145 WeakPolarHBondContact O-CB 3.47Å; L142-I145 WeakPolarHBondContact O-CG1 3.39Å; L142-I145 PolarHBondContact O-N 3.36Å; L142-F148 HydrophobicContact CB-CE2 4.49Å; L142-F148 HydrophobicContact CB-CZ 4.49Å; L142-F148 HydrophobicContact CD2-CE2 4.36Å; L142-F148 HydrophobicContact CD2-CZ 3.88Å; L142-F148 HydrophobicContact CG-CE2 3.8Å; L142-F148 HydrophobicContact CG-CZ 3.8Å; L142-F148 WeakPolarHBondContact O-CD2 3.29Å; L142-F148 WeakPolarHBondContact O-CE2 3.1Å; L142-Q462 HydrophobicContact CD1-CG 3.95Å; L142-L514 HydrophobicContact CD1-CB 4.28Å; L142-M524 HydrophobicContact CB-CE 4.23Å; L142-M524 HydrophobicContact CD2-CB 4.38Å; L142-M524 HydrophobicContact CD2-CE 3.95Å; L142-I526 HydrophobicContact CD2-CD1 3.43Å; L142-I526 VanDerWaalsContact CD2-CD1 3.43Å
143	E	89.8	Confident	89.8	Confident	42 Å²	42	37.3 Å²	37.3	20%	0.196	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.5	-17	177.5	-66.6	78.6	-170.5	0	0	114.7	K141 I145 R529	K141-E143 PolarHBondContact O-N 3.38Å; E143-I145 PolarHBondContact O-N 2.87Å; E143-R529 IonicContact OE1-CZ 3.6Å; E143-R529 IonicContact OE1-NH1 3.1Å; E143-R529 PolarHBondContact OE1-NH1 3.46Å; E143-R529 IonicContact OE1-NH2 3.2Å; E143-R529 PolarHBondContact OE1-NH2 3.25Å
144	D	91.4	Very high	89.3	Confident	89 Å²	89	34.5 Å²	34.5	48%	0.476	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-75.8	-9.1	175.6	-58.9	-34.4	0	0	0	111.3	P139 K141 L142	P139-D144 HydrophobicContact CB-CB 3.86Å; K141-D144 WeakPolarHBondContact CB-OD2 3.42Å; K141-D144 PolarHBondContact N-OD2 3.07Å; K141-D144 WeakPolarHBondContact O-CB 3.46Å; K141-D144 PolarHBondContact O-N 3.03Å; L142-D144 PolarHBondContact O-N 3.03Å
145	I	94.5	Very high	88.6	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.036	18%	0.18	C	C	.	.	S	Bend	trans	-75.9	136.3	174.3	-62	177.1	0	0	0	110.1	L92 P139 L142 E143 A147 F148 L514	L92-I145 HydrophobicContact CD2-CD1 4.34Å; L92-I145 HydrophobicContact CD2-CG1 4.43Å; L92-I145 HydrophobicContact CD2-CG2 3.97Å; P139-I145 HydrophobicContact CB-CG1 4.43Å; P139-I145 HydrophobicContact CG-CD1 4.32Å; P139-I145 HydrophobicContact CG-CG1 3.82Å; L142-I145 HydrophobicContact CD1-CD1 3.77Å; L142-I145 VanDerWaalsContact O-CB 3.28Å; L142-I145 WeakPolarHBondContact O-CB 3.47Å; L142-I145 WeakPolarHBondContact O-CG1 3.39Å; L142-I145 PolarHBondContact O-N 3.36Å; E143-I145 PolarHBondContact O-N 2.87Å; I145-A147 HydrophobicContact CG2-CB 4.26Å; I145-A147 PolarHBondContact O-N 3.14Å; I145-A147 VanDerWaalsContact O-N 3.07Å; I145-F148 HydrophobicContact CB-CD2 4.29Å; I145-F148 HydrophobicContact CB-CE2 4.46Å; I145-F148 WeakPolarHBondContact O-CD2 3.4Å; I145-F148 PolarHBondContact O-N 3.19Å; I145-F148 VanDerWaalsContact O-N 3.17Å; I145-L514 HydrophobicContact CD1-CD1 4.46Å; I145-L514 HydrophobicContact CD1-CD2 3.92Å; I145-L514 HydrophobicContact CG2-CD1 4.38Å; I145-L514 HydrophobicContact CG2-CD2 4.23Å
146	F	94.8	Very high	87.6	Confident	15 Å²	15	34 Å²	34	7%	0.066	17%	0.174	C	C	.	.	H	α-helix	trans	-54	-33.1	-174.2	-176.2	-107.4	0	0	0	114.8	L52 E55 F74 F148 A149 F150 L509	L52-F146 HydrophobicContact CB-CE1 4.45Å; L52-F146 HydrophobicContact CB-CZ 4.26Å; L52-F146 HydrophobicContact CD1-CE1 4.08Å; E55-F146 HydrophobicContact CB-CE2 4.04Å; E55-F146 HydrophobicContact CB-CZ 3.79Å; E55-F146 HydrophobicContact CG-CZ 4.45Å; F74-F146 HydrophobicContact CB-CD1 3.94Å; F74-F146 HydrophobicContact CB-CD2 3.89Å; F74-F146 HydrophobicContact CB-CE1 4.05Å; F74-F146 HydrophobicContact CB-CE2 4.02Å; F74-F146 HydrophobicContact CB-CG 3.86Å; F74-F146 HydrophobicContact CB-CZ 4.11Å; F74-F146 HydrophobicContact CD1-CE1 4.47Å; F74-F146 HydrophobicContact CD2-CB 3.93Å; F74-F146 AromaticContact CD2-CD1 3.24Å; F74-F146 HydrophobicContact CD2-CD1 3.24Å; F74-F146 AromaticContact CD2-CE1 3.86Å; F74-F146 HydrophobicContact CD2-CE1 3.86Å; F74-F146 AromaticContact CD2-CG 3.63Å; F74-F146 HydrophobicContact CD2-CG 3.63Å; F74-F146 AromaticContact CE2-CD1 3.84Å; F74-F146 HydrophobicContact CE2-CD1 3.84Å; F74-F146 HydrophobicContact CE2-CE1 4.43Å; F74-F146 AromaticContact CG-CD1 3.7Å; F74-F146 HydrophobicContact CG-CD1 3.7Å; F74-F146 AromaticContact CG-CE1 3.88Å; F74-F146 HydrophobicContact CG-CE1 3.88Å; F74-F146 HydrophobicContact CG-CG 4.06Å; F74-F146 HydrophobicContact CG-CZ 4.41Å; F146-F148 PolarHBondContact O-N 2.85Å; F146-A149 HydrophobicContact CD2-CB 4.48Å; F146-A149 PolarHBondContact O-N 3.4Å; F146-F150 HydrophobicContact CD1-CB 4.17Å; F146-F150 HydrophobicContact CE1-CB 3.8Å; F146-F150 HydrophobicContact CE1-CD2 4.3Å; F146-F150 HydrophobicContact CE1-CG 4.28Å; F146-F150 HydrophobicContact CZ-CB 4.17Å; F146-F150 WeakPolarHBondContact O-CB 3.46Å; F146-F150 PolarHBondContact O-N 3.12Å; F146-L509 HydrophobicContact CD1-CD1 3.85Å; F146-L509 HydrophobicContact CE1-CD1 3.68Å
147	A	93.8	Very high	86.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-48.5	-36.1	177.8	0	0	0	0	0	114	I145 H151 G508 L509 L514 T530	I145-A147 HydrophobicContact CG2-CB 4.26Å; I145-A147 PolarHBondContact O-N 3.14Å; I145-A147 VanDerWaalsContact O-N 3.07Å; A147-H151 WeakPolarHBondContact O-CB 3.3Å; A147-H151 PolarHBondContact O-N 3.31Å; A147-G508 WeakPolarHBondContact CA-O 3.46Å; A147-G508 WeakPolarHBondContact CB-O 3.34Å; A147-G508 PolarHBondContact N-O 3.46Å; A147-L509 WeakPolarHBondContact CB-O 3.47Å; A147-L514 HydrophobicContact CB-CD1 4.31Å; A147-T530 HydrophobicContact CB-CG2 3.96Å
148	F	93.4	Very high	85	Confident	5 Å²	5	34.6 Å²	34.6	2%	0.022	17%	0.165	C	C	.	.	H	α-helix	trans	-73	-43.4	179.5	-67.9	-90.3	0	0	0	112.1	F21 L142 I145 F146 A152 L514 I526 R529 T530	F21-F148 HydrophobicContact CE1-CB 4.32Å; F21-F148 HydrophobicContact CZ-CB 3.87Å; L142-F148 HydrophobicContact CB-CE2 4.49Å; L142-F148 HydrophobicContact CB-CZ 4.49Å; L142-F148 HydrophobicContact CD2-CE2 4.36Å; L142-F148 HydrophobicContact CD2-CZ 3.88Å; L142-F148 HydrophobicContact CG-CE2 3.8Å; L142-F148 HydrophobicContact CG-CZ 3.8Å; L142-F148 WeakPolarHBondContact O-CD2 3.29Å; L142-F148 WeakPolarHBondContact O-CE2 3.1Å; I145-F148 HydrophobicContact CB-CD2 4.29Å; I145-F148 HydrophobicContact CB-CE2 4.46Å; I145-F148 WeakPolarHBondContact O-CD2 3.4Å; I145-F148 PolarHBondContact O-N 3.19Å; I145-F148 VanDerWaalsContact O-N 3.17Å; F146-F148 PolarHBondContact O-N 2.85Å; F148-A152 VanDerWaalsContact O-CB 3.28Å; F148-A152 WeakPolarHBondContact O-CB 3.22Å; F148-A152 PolarHBondContact O-N 2.86Å; F148-L514 HydrophobicContact CE2-CD1 3.86Å; F148-L514 HydrophobicContact CZ-CD1 4.4Å; F148-I526 HydrophobicContact CE1-CD1 4.49Å; F148-I526 HydrophobicContact CZ-CD1 3.95Å; F148-R529 HydrophobicContact CD1-CB 3.98Å; F148-R529 HydrophobicContact CE1-CB 3.86Å; F148-T530 HydrophobicContact CD1-CG2 3.86Å; F148-T530 HydrophobicContact CD2-CG2 4.14Å; F148-T530 HydrophobicContact CE1-CG2 3.77Å; F148-T530 HydrophobicContact CE2-CG2 4.02Å; F148-T530 HydrophobicContact CG-CG2 4.06Å; F148-T530 HydrophobicContact CZ-CG2 3.84Å
149	A	91.8	Very high	83.4	Confident	8 Å²	8	37.7 Å²	37.7	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-44.4	174.7	0	0	0	0	0	110.8	F21 F146 H151 A152 W153	F21-A149 HydrophobicContact CB-CB 4.04Å; F21-A149 HydrophobicContact CD1-CB 3.64Å; F21-A149 HydrophobicContact CD2-CB 4.48Å; F21-A149 HydrophobicContact CE1-CB 4.18Å; F21-A149 HydrophobicContact CG-CB 3.81Å; F146-A149 HydrophobicContact CD2-CB 4.48Å; F146-A149 PolarHBondContact O-N 3.4Å; A149-H151 PolarHBondContact O-N 3.02Å; A149-A152 PolarHBondContact O-N 3.09Å; A149-W153 PolarHBondContact O-N 3.46Å
150	F	91.4	Very high	81.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-51.4	177	176.5	-115.2	0	0	0	111.7	L52 P53 F146 A152 W153 C154 L165 L167 L509 F531	L52-F150 HydrophobicContact CB-CD2 4.36Å; L52-F150 HydrophobicContact CB-CE2 4.4Å; P53-F150 HydrophobicContact CB-CD2 4.13Å; P53-F150 HydrophobicContact CB-CE2 4.25Å; P53-F150 HydrophobicContact CG-CE2 4.16Å; P53-F150 WeakPolarHBondContact O-CD2 3.44Å; F146-F150 HydrophobicContact CD1-CB 4.17Å; F146-F150 HydrophobicContact CE1-CB 3.8Å; F146-F150 HydrophobicContact CE1-CD2 4.3Å; F146-F150 HydrophobicContact CE1-CG 4.28Å; F146-F150 HydrophobicContact CZ-CB 4.17Å; F146-F150 WeakPolarHBondContact O-CB 3.46Å; F146-F150 PolarHBondContact O-N 3.12Å; F150-A152 PolarHBondContact O-N 3.04Å; F150-W153 PolarHBondContact O-N 3.44Å; F150-C154 VanDerWaalsContact CE2-SG 3.6Å; F150-C154 PolarHBondContact O-N 2.86Å; F150-C154 PolarHBondContact O-SG 3.46Å; F150-C154 VanDerWaalsContact O-SG 3.36Å; F150-L165 HydrophobicContact CE2-CD1 4.45Å; F150-L165 HydrophobicContact CZ-CD1 4.16Å; F150-L167 HydrophobicContact CZ-CD1 4.34Å; F150-L509 HydrophobicContact CB-CD1 4.31Å; F150-L509 HydrophobicContact CD1-CD1 3.75Å; F150-L509 HydrophobicContact CD1-CG 4.36Å; F150-L509 HydrophobicContact CD2-CD1 4.08Å; F150-L509 HydrophobicContact CE1-CD1 4.06Å; F150-L509 HydrophobicContact CE1-CG 4.41Å; F150-L509 HydrophobicContact CE2-CD1 4.37Å; F150-L509 HydrophobicContact CG-CD1 3.78Å; F150-L509 HydrophobicContact CZ-CD1 4.38Å; F150-F531 AromaticContact CD1-CD2 3.79Å; F150-F531 HydrophobicContact CD1-CD2 3.79Å; F150-F531 HydrophobicContact CD1-CE2 4.21Å; F150-F531 AromaticContact CE1-CD2 3.56Å; F150-F531 HydrophobicContact CE1-CD2 3.56Å; F150-F531 AromaticContact CE1-CE2 3.96Å; F150-F531 HydrophobicContact CE1-CE2 3.96Å
151	H	87.4	Confident	79.4	Confident	5 Å²	5	37.7 Å²	37.7	2%	0.023	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-44.1	177.7	173.8	-89.4	0	0	0	113.2	A147 A149 W153 C154 I155 H528 R529 F531	A147-H151 WeakPolarHBondContact O-CB 3.3Å; A147-H151 PolarHBondContact O-N 3.31Å; A149-H151 PolarHBondContact O-N 3.02Å; H151-W153 PolarHBondContact O-N 2.89Å; H151-C154 PolarHBondContact O-N 2.9Å; H151-I155 WeakPolarHBondContact CE1-CD1 3.48Å; H151-I155 WeakPolarHBondContact NE2-CD1 3.38Å; H151-I155 WeakPolarHBondContact O-CG1 3.17Å; H151-I155 PolarHBondContact O-N 3.32Å; H151-I155 VanDerWaalsContact O-N 3.16Å; H151-H528 PolarHBondContact CE1-O 3.31Å; H151-R529 WeakPolarHBondContact CB-O 3.48Å; H151-R529 PolarHBondContact ND1-O 3.38Å; H151-F531 HydrophobicContact CB-CD2 4.15Å; H151-F531 HydrophobicContact CB-CE2 4.12Å; H151-F531 AromaticContact CD2-CE1 3.91Å; H151-F531 AromaticContact CD2-CZ 3.91Å
152	A	87.8	Confident	77.4	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-55.4	-50	175.9	0	0	0	0	0	112.1	R17 F21 F148 A149 F150 D156	R17-A152 HydrophobicContact CB-CB 3.67Å; F21-A152 HydrophobicContact CD2-CB 3.53Å; F21-A152 HydrophobicContact CE2-CB 3.74Å; F148-A152 VanDerWaalsContact O-CB 3.28Å; F148-A152 WeakPolarHBondContact O-CB 3.22Å; F148-A152 PolarHBondContact O-N 2.86Å; A149-A152 PolarHBondContact O-N 3.09Å; F150-A152 PolarHBondContact O-N 3.04Å; A152-D156 PolarHBondContact O-N 2.97Å
153	W	86.7	Confident	75.1	Confident	40 Å²	40	38.3 Å²	38.3	15%	0.152	23%	0.23	C	C	.	.	H	α-helix	trans	-70.3	-37.2	-178.7	-82.2	77.9	0	0	0	112.9	C18 F21 K23 P53 G54 A149 F150 H151 I155 D156 E157	C18-W153 HydrophobicContact CB-CD2 4.48Å; C18-W153 HydrophobicContact CB-CH2 4.37Å; C18-W153 HydrophobicContact CB-CZ2 4.06Å; C18-W153 VanDerWaalsContact SG-CD2 3.55Å; F21-W153 PolarHBondContact O-NE1 3.48Å; K23-W153 HydrophobicContact CD-CH2 4.02Å; K23-W153 HydrophobicContact CD-CZ2 4.24Å; K23-W153 HydrophobicContact CG-CH2 4.18Å; K23-W153 HydrophobicContact CG-CZ2 3.93Å; P53-W153 HydrophobicContact CB-CB 3.93Å; G54-W153 VanDerWaalsContact N-CG 3.33Å; A149-W153 PolarHBondContact O-N 3.46Å; F150-W153 PolarHBondContact O-N 3.44Å; H151-W153 PolarHBondContact O-N 2.89Å; W153-I155 PolarHBondContact O-N 3.03Å; W153-D156 PolarHBondContact O-N 3.5Å; W153-E157 VanDerWaalsContact O-CB 3.23Å; W153-E157 WeakPolarHBondContact O-CB 3.35Å; W153-E157 WeakPolarHBondContact O-CG 3.4Å; W153-E157 PolarHBondContact O-N 3.4Å
154	C	83.3	Confident	73.1	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-41.1	176.2	-74.9	0	0	0	0	112.5	P53 F150 H151 E157 E158 F531	P53-C154 VanDerWaalsContact CB-SG 3.59Å; F150-C154 VanDerWaalsContact CE2-SG 3.6Å; F150-C154 PolarHBondContact O-N 2.86Å; F150-C154 PolarHBondContact O-SG 3.46Å; F150-C154 VanDerWaalsContact O-SG 3.36Å; H151-C154 PolarHBondContact O-N 2.9Å; C154-E157 PolarHBondContact O-N 3.19Å; C154-E158 WeakPolarHBondContact O-CB 3.38Å; C154-E158 WeakPolarHBondContact O-CG 3.39Å; C154-E158 PolarHBondContact O-N 3.49Å; C154-F531 HydrophobicContact CB-CE2 3.65Å; C154-F531 HydrophobicContact CB-CZ 3.76Å
155	I	76.6	Confident	71.3	Confident	39 Å²	39	35.6 Å²	35.6	20%	0.2	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-42.3	179.6	-69.4	178.2	0	0	0	111	R17 H151 W153 E157 A159	R17-I155 VanDerWaalsContact NH1-CD1 3.27Å; H151-I155 WeakPolarHBondContact CE1-CD1 3.48Å; H151-I155 WeakPolarHBondContact NE2-CD1 3.38Å; H151-I155 WeakPolarHBondContact O-CG1 3.17Å; H151-I155 PolarHBondContact O-N 3.32Å; H151-I155 VanDerWaalsContact O-N 3.16Å; W153-I155 PolarHBondContact O-N 3.03Å; I155-E157 VanDerWaalsContact C-N 3.35Å; I155-A159 PolarHBondContact O-N 3.34Å
156	D	71.9	Confident	69.2	Low	46 Å²	46	46.2 Å²	46.2	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-32.5	176.7	-68.8	-0.8	0	0	0	111.1	R17 C18 A152 W153 A159 T160	R17-D156 PolarHBondContact N-OD2 2.88Å; C18-D156 PolarHBondContact N-OD2 3.14Å; C18-D156 VanDerWaalsContact N-OD2 3.07Å; C18-D156 PolarHBondContact SG-OD2 2.97Å; A152-D156 PolarHBondContact O-N 2.97Å; W153-D156 PolarHBondContact O-N 3.5Å; D156-A159 WeakPolarHBondContact O-CB 3.39Å; D156-T160 PolarHBondContact O-OG1 2.93Å
157	E	65.7	Low	67.2	Low	39 Å²	39	45.9 Å²	45.9	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-75.8	-33.4	174.7	-80.7	-172.8	-170.2	0	0	114	W153 C154 I155 A159 T160 S161	W153-E157 VanDerWaalsContact O-CB 3.23Å; W153-E157 WeakPolarHBondContact O-CB 3.35Å; W153-E157 WeakPolarHBondContact O-CG 3.4Å; W153-E157 PolarHBondContact O-N 3.4Å; C154-E157 PolarHBondContact O-N 3.19Å; I155-E157 VanDerWaalsContact C-N 3.35Å; E157-A159 PolarHBondContact O-N 2.85Å; E157-T160 WeakPolarHBondContact CA-OG1 3.44Å; E157-T160 CarbonylContact O-C 3.54Å; E157-T160 WeakPolarHBondContact O-CA 3.47Å; E157-T160 PolarHBondContact O-N 3.29Å; E157-T160 PolarHBondContact O-OG1 3.43Å; E157-S161 PolarHBondContact O-N 2.97Å
158	E	57.1	Low	64.9	Low	66 Å²	66	54.4 Å²	54.4	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-33.3	172	-83.2	-176.8	173.3	0	0	110.9	C154 T160 S170	C154-E158 WeakPolarHBondContact O-CB 3.38Å; C154-E158 WeakPolarHBondContact O-CG 3.39Å; C154-E158 PolarHBondContact O-N 3.49Å; E158-T160 PolarHBondContact O-N 2.72Å; E158-S170 WeakPolarHBondContact OE2-CB 3.37Å; E158-S170 PolarHBondContact OE2-N 2.97Å; E158-S170 PolarHBondContact OE2-OG 3.27Å
159	A	47.7	Very low	62.4	Low	88 Å²	88	60.1 Å²	60.1	73%	0.727	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.2	169.4	0	0	0	0	0	113.2	I155 D156 E157	I155-A159 PolarHBondContact O-N 3.34Å; D156-A159 WeakPolarHBondContact O-CB 3.39Å; E157-A159 PolarHBondContact O-N 2.85Å
160	T	44.6	Very low	60	Low	95 Å²	95	60.9 Å²	60.9	58%	0.583	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	8.8	-175.2	57.4	0	0	0	0	115.7	D156 E157 E158	D156-T160 PolarHBondContact O-OG1 2.93Å; E157-T160 WeakPolarHBondContact CA-OG1 3.44Å; E157-T160 CarbonylContact O-C 3.54Å; E157-T160 WeakPolarHBondContact O-CA 3.47Å; E157-T160 PolarHBondContact O-N 3.29Å; E157-T160 PolarHBondContact O-OG1 3.43Å; E158-T160 PolarHBondContact O-N 2.72Å
161	S	43	Very low	57.4	Low	115 Å²	115	65.6 Å²	65.6	80%	0.804	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	28.9	158.1	68.9	0	0	0	0	122.4	E157	E157-S161 PolarHBondContact O-N 2.97Å
162	S	43.1	Very low	55	Low	77 Å²	77	69.8 Å²	69.8	54%	0.538	40%	0.4	S	S	.	.			trans	-136.6	7.2	-176.9	80	0	0	0	0	121.6	R50 G164	R50-S162 PolarHBondContact NH2-O 2.98Å; S162-G164 PolarHBondContact O-N 3.33Å
163	C	41.4	Very low	52.7	Low	24 Å²	24	73 Å²	73	16%	0.162	42%	0.415	C	S	.	.			trans	-78	122.9	180	177.4	0	0	0	0	112.8	L165	C163-L165 PolarHBondContact SG-N 3.01Å; C163-L165 VanDerWaalsContact SG-N 3.4Å; C163-L165 PolarHBondContact SG-O 3.21Å
164	G	48.1	Very low	50.1	Low	54 Å²	54	75.1 Å²	75.1	56%	0.557	43%	0.432	S	S	*	.	S	Bend	trans	-78.9	-17	176.4	0	0	0	0	0	114.5	S162 R166	S162-G164 PolarHBondContact O-N 3.33Å; G164-R166 VanDerWaalsContact C-N 3.29Å; G164-R166 PolarHBondContact O-N 3.23Å; G164-R166 VanDerWaalsContact O-N 3.15Å
165	L	53	Low	48	Very low	20 Å²	20	82.8 Å²	82.8	11%	0.105	47%	0.468	C	S	.	.			trans	-83.1	79.2	165.7	-102.5	150.9	0	0	0	106.7	L52 F150 C163 L167 Y536 Q811	L52-L165 HydrophobicContact CD2-CD1 4.08Å; F150-L165 HydrophobicContact CE2-CD1 4.45Å; F150-L165 HydrophobicContact CZ-CD1 4.16Å; C163-L165 PolarHBondContact SG-N 3.01Å; C163-L165 VanDerWaalsContact SG-N 3.4Å; C163-L165 PolarHBondContact SG-O 3.21Å; L165-L167 HydrophobicContact CB-CD1 3.77Å; L165-L167 HydrophobicContact CD2-CD1 3.44Å; L165-L167 VanDerWaalsContact CD2-CD1 3.44Å; L165-L167 HydrophobicContact CG-CD1 4.16Å; L165-L167 PolarHBondContact O-N 3.08Å; L165-Y536 HydrophobicContact CD2-CD2 4.25Å; L165-Q811 WeakPolarHBondContact CD1-O 3.27Å; L165-Q811 HydrophobicContact CG-CB 4.42Å
166	R	49.7	Very low	46.1	Very low	230 Å²	230	84.6 Å²	84.6	87%	0.868	48%	0.484	S	S	*	.			trans	-68.7	69.7	166.1	-74.9	-174.6	178.2	166.3	0.8	108.7	G164 R168	G164-R166 VanDerWaalsContact C-N 3.29Å; G164-R166 PolarHBondContact O-N 3.23Å; G164-R166 VanDerWaalsContact O-N 3.15Å; R166-R168 PolarHBondContact O-N 3.34Å
167	L	53.7	Low	44.7	Very low	8 Å²	8	85.6 Å²	85.6	4%	0.042	49%	0.487	C	S	.	.			trans	-60.2	127.7	152.1	-74	91.3	0	0	0	104.6	F150 L165 F510 F531 D535	F150-L167 HydrophobicContact CZ-CD1 4.34Å; L165-L167 HydrophobicContact CB-CD1 3.77Å; L165-L167 HydrophobicContact CD2-CD1 3.44Å; L165-L167 VanDerWaalsContact CD2-CD1 3.44Å; L165-L167 HydrophobicContact CG-CD1 4.16Å; L165-L167 PolarHBondContact O-N 3.08Å; L167-F510 HydrophobicContact CD2-CE1 4.32Å; L167-F531 HydrophobicContact CB-CD1 4.27Å; L167-F531 HydrophobicContact CB-CE1 4.19Å; L167-F531 HydrophobicContact CD2-CB 3.44Å; L167-F531 VanDerWaalsContact CD2-CB 3.44Å; L167-F531 HydrophobicContact CD2-CD1 3.64Å; L167-F531 HydrophobicContact CD2-CD2 3.85Å; L167-F531 HydrophobicContact CD2-CE1 4.3Å; L167-F531 HydrophobicContact CD2-CE2 4.45Å; L167-F531 HydrophobicContact CD2-CG 3.38Å; L167-D535 HydrophobicContact CD2-CB 3.96Å; L167-D535 HydrophobicContact CG-CB 4.44Å
168	R	44.6	Very low	43.8	Very low	178 Å²	178	86 Å²	86	67%	0.672	49%	0.493	S	S	*	.	S	Bend	trans	-38.6	142	-172.2	-80.6	176.4	163.4	-178.1	-2.9	113.4	R166 S170 E177	R166-R168 PolarHBondContact O-N 3.34Å; R168-S170 PolarHBondContact O-N 3.34Å; R168-E177 IonicContact CZ-OE1 2.95Å; R168-E177 IonicContact CZ-OE2 2.62Å; R168-E177 IonicContact NH1-OE1 3.1Å; R168-E177 PolarHBondContact NH1-OE1 3.3Å; R168-E177 IonicContact NH1-OE2 2.68Å; R168-E177 PolarHBondContact NH1-OE2 3.48Å; R168-E177 IonicContact NH2-OE1 3.99Å
169	N	41.1	Very low	43.9	Very low	125 Å²	125	84.9 Å²	84.9	67%	0.668	49%	0.49	S	S	*	.			trans	-22.2	98.5	171.7	-71.1	-9.7	0	0	0	112.6	A171 V172	N169-A171 PolarHBondContact O-N 2.93Å; N169-A171 VanDerWaalsContact O-N 3.09Å; N169-V172 CarbonylContact O-C 3.57Å; N169-V172 PolarHBondContact O-N 2.96Å
170	S	41.4	Very low	45	Very low	25 Å²	25	84.3 Å²	84.3	18%	0.175	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.6	-178.7	67.8	0	0	0	0	113	E158 R168 V172 Q173	E158-S170 WeakPolarHBondContact OE2-CB 3.37Å; E158-S170 PolarHBondContact OE2-N 2.97Å; E158-S170 PolarHBondContact OE2-OG 3.27Å; R168-S170 PolarHBondContact O-N 3.34Å; S170-V172 PolarHBondContact O-N 3.48Å; S170-V172 VanDerWaalsContact O-N 3.14Å; S170-Q173 PolarHBondContact O-N 3.43Å; S170-Q173 VanDerWaalsContact O-N 3.12Å
171	A	37.3	Very low	46.5	Very low	98 Å²	98	81.1 Å²	81.1	81%	0.81	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-60.3	-21.3	174.2	0	0	0	0	0	113.4	N169	N169-A171 PolarHBondContact O-N 2.93Å; N169-A171 VanDerWaalsContact O-N 3.09Å
172	V	37	Very low	48.6	Very low	94 Å²	94	77.9 Å²	77.9	57%	0.57	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-125.8	57.4	172.9	-165	0	0	0	0	108.1	N169 S170 T174	N169-V172 CarbonylContact O-C 3.57Å; N169-V172 PolarHBondContact O-N 2.96Å; S170-V172 PolarHBondContact O-N 3.48Å; S170-V172 VanDerWaalsContact O-N 3.14Å; V172-T174 HydrophobicContact CG1-CG2 3.34Å; V172-T174 PolarHBondContact O-N 2.82Å
173	Q	38.8	Very low	50.7	Low	69 Å²	69	79.9 Å²	79.9	32%	0.322	43%	0.428	S	S	.	.			trans	-62.5	65.9	142.1	-73.9	-169.5	-3.2	0	0	107.6	S170 E175 H528	S170-Q173 PolarHBondContact O-N 3.43Å; S170-Q173 VanDerWaalsContact O-N 3.12Å; Q173-E175 PolarHBondContact O-N 3.49Å; Q173-H528 PolarHBondContact OE1-ND1 3.33Å; Q173-H528 VanDerWaalsContact OE1-ND1 3.13Å
174	T	32.7	Very low	53.1	Low	86 Å²	86	79.2 Å²	79.2	53%	0.528	42%	0.423	S	S	.	.			trans	-48.6	131.3	153.9	38.3	0	0	0	0	104.9	V172 S176	V172-T174 HydrophobicContact CG1-CG2 3.34Å; V172-T174 PolarHBondContact O-N 2.82Å; T174-S176 PolarHBondContact O-N 3.13Å
175	E	38.9	Very low	55.2	Low	163 Å²	163	76.8 Å²	76.8	76%	0.762	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	-10.1	171.3	-63.4	177.9	142.7	0	0	113.5	Q173 E177	Q173-E175 PolarHBondContact O-N 3.49Å; E175-E177 PolarHBondContact O-N 3.3Å
176	S	36.9	Very low	57.2	Low	77 Å²	77	81.1 Å²	81.1	54%	0.538	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.1	-174.5	-163.1	0	0	0	0	117.8	T174	T174-S176 PolarHBondContact O-N 3.13Å
177	E	43.5	Very low	59.4	Low	67 Å²	67	72.5 Å²	72.5	31%	0.313	39%	0.388	S	S	.	.	S	Bend	trans	-120.9	-11.1	-178	-79.1	-166.8	165.3	0	0	117.5	R168 E175 L179 R441	R168-E177 IonicContact CZ-OE1 2.95Å; R168-E177 IonicContact CZ-OE2 2.62Å; R168-E177 IonicContact NH1-OE1 3.1Å; R168-E177 PolarHBondContact NH1-OE1 3.3Å; R168-E177 IonicContact NH1-OE2 2.68Å; R168-E177 PolarHBondContact NH1-OE2 3.48Å; R168-E177 IonicContact NH2-OE1 3.99Å; E175-E177 PolarHBondContact O-N 3.3Å; E177-L179 PolarHBondContact O-N 2.86Å; E177-R441 PolarHBondContact O-NH2 3.11Å
178	C	47.3	Very low	61.3	Low	46 Å²	46	72.1 Å²	72.1	31%	0.311	39%	0.386	S	S	.	.	S	Bend	trans	-76.2	75.9	152.6	-169	0	0	0	0	107.1	N180 L527	C178-N180 PolarHBondContact O-N 3.41Å; C178-L527 HydrophobicContact CB-CD1 3.3Å; C178-L527 HydrophobicContact CB-CD2 3.66Å; C178-L527 HydrophobicContact CB-CG 4.08Å
179	L	58.7	Low	63.9	Low	43 Å²	43	64.5 Å²	64.5	23%	0.225	36%	0.357	C	S	.	.			trans	-25.7	104.1	-169.7	-72.7	157.3	0	0	0	110.5	E177 S181 L184 R441 E442 E445	E177-L179 PolarHBondContact O-N 2.86Å; L179-S181 PolarHBondContact O-N 3.42Å; L179-L184 HydrophobicContact CB-CD1 3.5Å; L179-L184 VanDerWaalsContact CB-CD1 3.5Å; L179-L184 HydrophobicContact CB-CD2 3.98Å; L179-L184 HydrophobicContact CB-CG 3.71Å; L179-L184 HydrophobicContact CD1-CD1 4.29Å; L179-L184 HydrophobicContact CD1-CD2 4.1Å; L179-L184 HydrophobicContact CD2-CD2 3.84Å; L179-L184 HydrophobicContact CD2-CG 4.42Å; L179-L184 HydrophobicContact CG-CD1 4.4Å; L179-L184 HydrophobicContact CG-CD2 4.18Å; L179-L184 HydrophobicContact CG-CG 4.46Å; L179-R441 HydrophobicContact CD1-CG 3.98Å; L179-E442 HydrophobicContact CD1-CG 4.03Å; L179-E445 HydrophobicContact CD1-CB 4.38Å; L179-E445 HydrophobicContact CD1-CG 4.21Å
180	N	70.4	Confident	66.5	Low	76 Å²	76	62.5 Å²	62.5	41%	0.406	35%	0.353	S	S	.	.			trans	-52.7	115.7	-177.2	179.9	-21.5	0	0	0	107.6	C178 K182 E183 L184	C178-N180 PolarHBondContact O-N 3.41Å; N180-K182 PolarHBondContact O-N 3.13Å; N180-K182 PolarHBondContact OD1-N 3.13Å; N180-K182 VanDerWaalsContact OD1-N 3.1Å; N180-E183 HydrophobicContact CB-CB 3.99Å; N180-E183 WeakPolarHBondContact O-CA 3.34Å; N180-E183 WeakPolarHBondContact O-CB 3.42Å; N180-E183 PolarHBondContact O-N 3.26Å; N180-L184 PolarHBondContact O-N 3.44Å
181	S	76.2	Confident	69.2	Low	29 Å²	29	63.7 Å²	63.7	20%	0.203	35%	0.354	C	S	.	.	H	α-helix	trans	-53.6	-30.8	-172.9	177.5	0	0	0	0	111.8	L179 V185	L179-S181 PolarHBondContact O-N 3.42Å; S181-V185 WeakPolarHBondContact O-CG2 3.38Å; S181-V185 PolarHBondContact O-N 3.4Å
182	K	86.6	Confident	72	Confident	47 Å²	47	59.1 Å²	59.1	20%	0.204	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-41.1	174.6	-62.2	-165.1	178.4	-165.8	0	113.1	N180 V185 R186 E203	N180-K182 PolarHBondContact O-N 3.13Å; N180-K182 PolarHBondContact OD1-N 3.13Å; N180-K182 VanDerWaalsContact OD1-N 3.1Å; K182-V185 PolarHBondContact O-N 2.92Å; K182-R186 WeakPolarHBondContact O-CB 3.48Å; K182-R186 VanDerWaalsContact O-CG 3.23Å; K182-R186 WeakPolarHBondContact O-CG 3.21Å; K182-R186 PolarHBondContact O-N 2.81Å; K182-R186 VanDerWaalsContact O-N 3.09Å; K182-E203 IonicContact NZ-OE1 3.41Å; K182-E203 IonicContact NZ-OE2 3.17Å; K182-E203 PolarHBondContact NZ-OE2 2.95Å
183	E	88.5	Confident	74.9	Confident	119 Å²	119	60.5 Å²	60.5	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	-67.4	-41.3	178.8	-172.5	168.4	-169.2	0	0	111.6	N180 V185 R186 S187	N180-E183 HydrophobicContact CB-CB 3.99Å; N180-E183 WeakPolarHBondContact O-CA 3.34Å; N180-E183 WeakPolarHBondContact O-CB 3.42Å; N180-E183 PolarHBondContact O-N 3.26Å; E183-V185 VanDerWaalsContact C-N 3.35Å; E183-V185 PolarHBondContact O-N 3.45Å; E183-R186 PolarHBondContact O-N 3.47Å; E183-S187 WeakPolarHBondContact O-CB 3.33Å; E183-S187 PolarHBondContact O-N 3.32Å
184	L	89.9	Confident	77.6	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-55.6	-47.8	174.2	-78.3	177.4	0	0	0	112.6	L179 N180 R186 E188 E442 E445 R446	L179-L184 HydrophobicContact CB-CD1 3.5Å; L179-L184 VanDerWaalsContact CB-CD1 3.5Å; L179-L184 HydrophobicContact CB-CD2 3.98Å; L179-L184 HydrophobicContact CB-CG 3.71Å; L179-L184 HydrophobicContact CD1-CD1 4.29Å; L179-L184 HydrophobicContact CD1-CD2 4.1Å; L179-L184 HydrophobicContact CD2-CD2 3.84Å; L179-L184 HydrophobicContact CD2-CG 4.42Å; L179-L184 HydrophobicContact CG-CD1 4.4Å; L179-L184 HydrophobicContact CG-CD2 4.18Å; L179-L184 HydrophobicContact CG-CG 4.46Å; N180-L184 PolarHBondContact O-N 3.44Å; L184-R186 VanDerWaalsContact C-N 3.35Å; L184-E188 VanDerWaalsContact O-CB 3.32Å; L184-E188 WeakPolarHBondContact O-CB 3.26Å; L184-E188 WeakPolarHBondContact O-CG 3.48Å; L184-E188 PolarHBondContact O-N 3.07Å; L184-E442 HydrophobicContact CD2-CB 4.14Å; L184-E442 HydrophobicContact CD2-CG 3.66Å; L184-E445 HydrophobicContact CD1-CB 4.49Å; L184-R446 HydrophobicContact CB-CG 4.19Å; L184-R446 HydrophobicContact CD1-CG 3.88Å
185	V	94.1	Very high	80.5	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-35.4	-179.5	179	0	0	0	0	111.1	S181 K182 E183 F189 I201 I219	S181-V185 WeakPolarHBondContact O-CG2 3.38Å; S181-V185 PolarHBondContact O-N 3.4Å; K182-V185 PolarHBondContact O-N 2.92Å; E183-V185 VanDerWaalsContact C-N 3.35Å; E183-V185 PolarHBondContact O-N 3.45Å; V185-F189 VanDerWaalsContact O-CB 3.26Å; V185-F189 WeakPolarHBondContact O-CB 3.16Å; V185-F189 PolarHBondContact O-N 2.93Å; V185-I201 HydrophobicContact CG1-CD1 3.98Å; V185-I201 HydrophobicContact CG1-CG1 4.03Å; V185-I201 HydrophobicContact CG1-CG2 4.07Å; V185-I219 HydrophobicContact CG1-CG1 4Å
186	R	94.9	Very high	83.1	Confident	110 Å²	110	58 Å²	58	42%	0.415	29%	0.293	S	S	.	.	H	α-helix	trans	-70.6	-41.9	177.5	-72.9	171.1	-174.4	145.4	1	112.9	K182 E183 L184 E188 F189 S190 I201 E203	K182-R186 WeakPolarHBondContact O-CB 3.48Å; K182-R186 VanDerWaalsContact O-CG 3.23Å; K182-R186 WeakPolarHBondContact O-CG 3.21Å; K182-R186 PolarHBondContact O-N 2.81Å; K182-R186 VanDerWaalsContact O-N 3.09Å; E183-R186 PolarHBondContact O-N 3.47Å; L184-R186 VanDerWaalsContact C-N 3.35Å; R186-E188 VanDerWaalsContact C-N 3.33Å; R186-F189 PolarHBondContact O-N 3.5Å; R186-S190 PolarHBondContact O-N 2.86Å; R186-S190 VanDerWaalsContact O-N 3.08Å; R186-S190 PolarHBondContact O-OG 2.9Å; R186-I201 HydrophobicContact CB-CD1 4.43Å; R186-I201 HydrophobicContact CG-CD1 3.68Å; R186-E203 IonicContact NH2-OE1 2.77Å; R186-E203 PolarHBondContact NH2-OE1 3.05Å
187	S	94.7	Very high	85.9	Confident	50 Å²	50	58.6 Å²	58.6	35%	0.35	30%	0.297	S	S	.	.	H	α-helix	trans	-57.8	-49.3	172.3	175.8	0	0	0	0	109.8	E183 F189 S190 R191	E183-S187 WeakPolarHBondContact O-CB 3.33Å; E183-S187 PolarHBondContact O-N 3.32Å; S187-F189 PolarHBondContact O-N 3.33Å; S187-S190 PolarHBondContact O-N 2.84Å; S187-R191 WeakPolarHBondContact O-CB 3.43Å; S187-R191 PolarHBondContact O-N 3.08Å
188	E	94.7	Very high	88.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-39	179.2	-72.8	-88.8	82.5	0	0	113	L184 R186 S190 R191 L192 K427 Y434 R446	L184-E188 VanDerWaalsContact O-CB 3.32Å; L184-E188 WeakPolarHBondContact O-CB 3.26Å; L184-E188 WeakPolarHBondContact O-CG 3.48Å; L184-E188 PolarHBondContact O-N 3.07Å; R186-E188 VanDerWaalsContact C-N 3.33Å; E188-S190 PolarHBondContact O-N 2.98Å; E188-R191 PolarHBondContact O-N 3.19Å; E188-R191 IonicContact OE1-CZ 3.92Å; E188-R191 IonicContact OE1-NE 3.27Å; E188-R191 PolarHBondContact OE1-NE 3.4Å; E188-R191 IonicContact OE1-NH2 2.74Å; E188-R191 PolarHBondContact OE1-NH2 2.87Å; E188-R191 IonicContact OE2-NH2 3.98Å; E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.45Å; E188-L192 WeakPolarHBondContact O-CG 3.23Å; E188-L192 PolarHBondContact O-N 3.13Å; E188-K427 IonicContact OE2-NZ 3.73Å; E188-Y434 PolarHBondContact OE2-OH 3.06Å; E188-R446 VanDerWaalsContact CG-NH1 3.3Å; E188-R446 IonicContact OE2-CZ 3.11Å; E188-R446 IonicContact OE2-NH1 3.36Å; E188-R446 PolarHBondContact OE2-NH1 2.86Å
189	F	97.4	Very high	90.8	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-42	174.3	-170.7	-80.9	0	0	0	111.1	V185 R186 S187 F194 R196 W199 I201 I219	V185-F189 VanDerWaalsContact O-CB 3.26Å; V185-F189 WeakPolarHBondContact O-CB 3.16Å; V185-F189 PolarHBondContact O-N 2.93Å; R186-F189 PolarHBondContact O-N 3.5Å; S187-F189 PolarHBondContact O-N 3.33Å; F189-F194 HydrophobicContact CD1-CB 3.87Å; F189-F194 HydrophobicContact CD2-CB 3.72Å; F189-F194 HydrophobicContact CD2-CD2 4.37Å; F189-F194 HydrophobicContact CD2-CG 4.1Å; F189-F194 HydrophobicContact CE1-CB 3.69Å; F189-F194 WeakPolarHBondContact CE1-O 3.48Å; F189-F194 HydrophobicContact CE2-CB 3.55Å; F189-F194 HydrophobicContact CE2-CG 4.2Å; F189-F194 HydrophobicContact CG-CB 3.88Å; F189-F194 HydrophobicContact CG-CD2 4.46Å; F189-F194 HydrophobicContact CG-CG 4.44Å; F189-F194 HydrophobicContact CZ-CB 3.52Å; F189-F194 PolarHBondContact O-N 3.25Å; F189-F194 VanDerWaalsContact O-N 3.07Å; F189-R196 HydrophobicContact CE1-CG 4.03Å; F189-R196 HydrophobicContact CZ-CG 4.31Å; F189-W199 HydrophobicContact CE2-CB 3.88Å; F189-W199 HydrophobicContact CZ-CB 4.13Å; F189-W199 WeakPolarHBondContact CZ-O 3.32Å; F189-I201 HydrophobicContact CB-CD1 4Å; F189-I201 HydrophobicContact CB-CG1 4.49Å; F189-I201 HydrophobicContact CD2-CD1 4.08Å; F189-I201 HydrophobicContact CD2-CG1 3.71Å; F189-I201 HydrophobicContact CE2-CG1 4.26Å; F189-I201 HydrophobicContact CG-CD1 4.12Å; F189-I201 HydrophobicContact CG-CG1 4.27Å; F189-I219 HydrophobicContact CB-CD1 4.29Å; F189-I219 HydrophobicContact CD2-CD1 3.85Å; F189-I219 HydrophobicContact CD2-CG1 4.02Å; F189-I219 HydrophobicContact CD2-CG2 4.31Å; F189-I219 HydrophobicContact CE2-CG2 4.3Å
190	S	97.3	Very high	92.6	Very high	84 Å²	84	54.1 Å²	54.1	59%	0.587	27%	0.269	S	S	*	.	H	α-helix	trans	-75.2	-49.3	-179.9	-51.2	0	0	0	0	111.6	R186 S187 E188 L192 Q193	R186-S190 PolarHBondContact O-N 2.86Å; R186-S190 VanDerWaalsContact O-N 3.08Å; R186-S190 PolarHBondContact O-OG 2.9Å; S187-S190 PolarHBondContact O-N 2.84Å; E188-S190 PolarHBondContact O-N 2.98Å; S190-L192 VanDerWaalsContact C-N 3.3Å; S190-L192 PolarHBondContact O-N 3.46Å; S190-Q193 PolarHBondContact O-N 3.33Å
191	R	97.1	Very high	93.9	Very high	50 Å²	50	52.4 Å²	52.4	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-38	-179.1	-171.1	-173.4	69.9	82.5	1.7	112.7	S187 E188 Q193 K249 D431 Y433 Y434	S187-R191 WeakPolarHBondContact O-CB 3.43Å; S187-R191 PolarHBondContact O-N 3.08Å; E188-R191 PolarHBondContact O-N 3.19Å; E188-R191 IonicContact OE1-CZ 3.92Å; E188-R191 IonicContact OE1-NE 3.27Å; E188-R191 PolarHBondContact OE1-NE 3.4Å; E188-R191 IonicContact OE1-NH2 2.74Å; E188-R191 PolarHBondContact OE1-NH2 2.87Å; E188-R191 IonicContact OE2-NH2 3.98Å; R191-Q193 VanDerWaalsContact C-N 3.29Å; R191-K249 WeakPolarHBondContact O-CE 3.34Å; R191-D431 IonicContact CZ-OD2 3.78Å; R191-D431 VanDerWaalsContact NH1-CG 3.32Å; R191-D431 IonicContact NH1-OD1 3.34Å; R191-D431 PolarHBondContact NH1-OD1 3.1Å; R191-D431 VanDerWaalsContact NH1-OD1 3.09Å; R191-D431 IonicContact NH1-OD2 2.68Å; R191-D431 PolarHBondContact NH1-OD2 3.24Å; R191-D431 IonicContact NH2-OD2 3.75Å; R191-D431 PolarHBondContact NH2-OD2 3.31Å; R191-Y433 VanDerWaalsContact NH1-CB 3.28Å; R191-Y434 PolarHBondContact NH2-OH 3.47Å
192	L	97.1	Very high	94.9	Very high	2 Å²	2	51 Å²	51	1%	0.01	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	8.2	179.6	-63.7	172.3	0	0	0	113.5	E188 S190 F194 W246 R247	E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.45Å; E188-L192 WeakPolarHBondContact O-CG 3.23Å; E188-L192 PolarHBondContact O-N 3.13Å; S190-L192 VanDerWaalsContact C-N 3.3Å; S190-L192 PolarHBondContact O-N 3.46Å; L192-F194 VanDerWaalsContact C-N 3.33Å; L192-F194 HydrophobicContact CB-CD2 3.77Å; L192-F194 HydrophobicContact CB-CE2 3.59Å; L192-F194 HydrophobicContact CD1-CE2 3.88Å; L192-F194 HydrophobicContact CG-CE2 4.4Å; L192-F194 PolarHBondContact O-N 3.44Å; L192-W246 HydrophobicContact CD1-CG 4.27Å; L192-R247 HydrophobicContact CB-CB 4.43Å; L192-R247 PolarHBondContact O-NH1 3.09Å
193	Q	96.3	Very high	95.4	Very high	123 Å²	123	52.7 Å²	52.7	58%	0.575	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	44.3	173.3	-58.7	175	-18.2	0	0	112.8	S190 R191 S195 R247	S190-Q193 PolarHBondContact O-N 3.33Å; R191-Q193 VanDerWaalsContact C-N 3.29Å; Q193-S195 PolarHBondContact O-N 3.41Å; Q193-R247 PolarHBondContact O-NH1 3.49Å
194	F	96.4	Very high	95.8	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.053	24%	0.239	C	C	.	.			trans	-69.4	122.9	172.4	-76	-87.9	0	0	0	110	F189 L192 W199 I219 V244 R247 V254	F189-F194 HydrophobicContact CD1-CB 3.87Å; F189-F194 HydrophobicContact CD2-CB 3.72Å; F189-F194 HydrophobicContact CD2-CD2 4.37Å; F189-F194 HydrophobicContact CD2-CG 4.1Å; F189-F194 HydrophobicContact CE1-CB 3.69Å; F189-F194 WeakPolarHBondContact CE1-O 3.48Å; F189-F194 HydrophobicContact CE2-CB 3.55Å; F189-F194 HydrophobicContact CE2-CG 4.2Å; F189-F194 HydrophobicContact CG-CB 3.88Å; F189-F194 HydrophobicContact CG-CD2 4.46Å; F189-F194 HydrophobicContact CG-CG 4.44Å; F189-F194 HydrophobicContact CZ-CB 3.52Å; F189-F194 PolarHBondContact O-N 3.25Å; F189-F194 VanDerWaalsContact O-N 3.07Å; L192-F194 VanDerWaalsContact C-N 3.33Å; L192-F194 HydrophobicContact CB-CD2 3.77Å; L192-F194 HydrophobicContact CB-CE2 3.59Å; L192-F194 HydrophobicContact CD1-CE2 3.88Å; L192-F194 HydrophobicContact CG-CE2 4.4Å; L192-F194 PolarHBondContact O-N 3.44Å; F194-W199 HydrophobicContact CB-CB 4.23Å; F194-W199 HydrophobicContact CB-CG 4.44Å; F194-W199 HydrophobicContact CD1-CB 3.89Å; F194-W199 AromaticContact CD1-CD1 3.66Å; F194-W199 AromaticContact CD1-CD2 3.83Å; F194-W199 HydrophobicContact CD1-CD2 3.83Å; F194-W199 AromaticContact CD1-CG 3.5Å; F194-W199 HydrophobicContact CD1-CG 3.5Å; F194-W199 HydrophobicContact CE1-CD2 4.1Å; F194-W199 HydrophobicContact CE1-CE3 4.49Å; F194-W199 HydrophobicContact CE1-CG 4.25Å; F194-W199 HydrophobicContact CG-CG 4.44Å; F194-I219 HydrophobicContact CD1-CG2 4.11Å; F194-I219 HydrophobicContact CD2-CD1 3.92Å; F194-I219 HydrophobicContact CE1-CD1 4.36Å; F194-I219 HydrophobicContact CE1-CG2 3.97Å; F194-I219 HydrophobicContact CE2-CD1 3.57Å; F194-I219 HydrophobicContact CG-CD1 4.41Å; F194-I219 HydrophobicContact CZ-CD1 3.8Å; F194-I219 HydrophobicContact CZ-CG2 4.4Å; F194-V244 HydrophobicContact CE1-CG1 3.77Å; F194-V244 HydrophobicContact CZ-CG1 3.78Å; F194-R247 HydrophobicContact CD1-CB 4.35Å; F194-R247 HydrophobicContact CD2-CB 4.45Å; F194-R247 HydrophobicContact CE1-CB 3.65Å; F194-R247 HydrophobicContact CE1-CG 4.29Å; F194-R247 HydrophobicContact CE2-CB 3.78Å; F194-R247 HydrophobicContact CZ-CB 3.34Å; F194-R247 HydrophobicContact CZ-CG 4.41Å; F194-V254 HydrophobicContact CE1-CG1 4.36Å
195	S	94	Very high	96.1	Very high	36 Å²	36	47.8 Å²	47.8	25%	0.252	24%	0.237	S	C	.	.			trans	-71.1	131	172.7	179.8	0	0	0	0	111	Q193 S197 S198 W199	Q193-S195 PolarHBondContact O-N 3.41Å; S195-S197 PolarHBondContact O-N 2.83Å; S195-S197 PolarHBondContact OG-N 2.7Å; S195-S197 PolarHBondContact OG-OG 2.62Å; S195-S198 PolarHBondContact O-N 3.16Å; S195-S198 VanDerWaalsContact O-N 3.16Å; S195-W199 PolarHBondContact O-N 2.88Å
196	R	94.1	Very high	96	Very high	217 Å²	217	49.6 Å²	49.6	82%	0.819	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.1	174.1	-70.8	-174.5	177.3	147.3	1	113.7	F189 W199	F189-R196 HydrophobicContact CE1-CG 4.03Å; F189-R196 HydrophobicContact CZ-CG 4.31Å; R196-W199 WeakPolarHBondContact CA-O 3.35Å
197	S	94.4	Very high	95.9	Very high	89 Å²	89	48.2 Å²	48.2	62%	0.622	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.6	175.3	62.3	0	0	0	0	112.6	S195 A222	S195-S197 PolarHBondContact O-N 2.83Å; S195-S197 PolarHBondContact OG-N 2.7Å; S195-S197 PolarHBondContact OG-OG 2.62Å; S197-A222 WeakPolarHBondContact O-CB 3.48Å
198	S	96	Very high	95.9	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.042	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-23.8	-174.1	-48.6	0	0	0	0	112.6	S195 P221 A222 Q287	S195-S198 PolarHBondContact O-N 3.16Å; S195-S198 VanDerWaalsContact O-N 3.16Å; S198-P221 WeakPolarHBondContact O-CA 3.42Å; S198-A222 PolarHBondContact O-N 3.48Å; S198-Q287 PolarHBondContact OG-NE2 2.85Å
199	W	98	Very high	95.9	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.2	-173.5	-55.3	97.3	0	0	0	111.6	F189 F194 S195 R196 I219 V220 P221 V244 V254 I280 A283 V284	F189-W199 HydrophobicContact CE2-CB 3.88Å; F189-W199 HydrophobicContact CZ-CB 4.13Å; F189-W199 WeakPolarHBondContact CZ-O 3.32Å; F194-W199 HydrophobicContact CB-CB 4.23Å; F194-W199 HydrophobicContact CB-CG 4.44Å; F194-W199 HydrophobicContact CD1-CB 3.89Å; F194-W199 AromaticContact CD1-CD1 3.66Å; F194-W199 AromaticContact CD1-CD2 3.83Å; F194-W199 HydrophobicContact CD1-CD2 3.83Å; F194-W199 AromaticContact CD1-CG 3.5Å; F194-W199 HydrophobicContact CD1-CG 3.5Å; F194-W199 HydrophobicContact CE1-CD2 4.1Å; F194-W199 HydrophobicContact CE1-CE3 4.49Å; F194-W199 HydrophobicContact CE1-CG 4.25Å; F194-W199 HydrophobicContact CG-CG 4.44Å; S195-W199 PolarHBondContact O-N 2.88Å; R196-W199 WeakPolarHBondContact CA-O 3.35Å; W199-I219 HydrophobicContact CB-CG2 4.21Å; W199-I219 HydrophobicContact CE3-CG2 4.17Å; W199-V220 WeakPolarHBondContact CA-O 3.11Å; W199-P221 HydrophobicContact CE3-CG 4.43Å; W199-P221 HydrophobicContact CZ3-CG 3.94Å; W199-V244 HydrophobicContact CE3-CG2 4.31Å; W199-V244 HydrophobicContact CH2-CG2 4.3Å; W199-V244 HydrophobicContact CZ3-CG2 3.63Å; W199-V254 HydrophobicContact CH2-CB 4.44Å; W199-V254 HydrophobicContact CH2-CG1 3.77Å; W199-V254 HydrophobicContact CH2-CG2 3.94Å; W199-V254 HydrophobicContact CZ2-CG1 3.63Å; W199-I280 HydrophobicContact CH2-CG2 4.31Å; W199-A283 HydrophobicContact CD2-CB 4.42Å; W199-A283 HydrophobicContact CH2-CB 3.92Å; W199-A283 HydrophobicContact CZ2-CB 3.83Å; W199-A283 HydrophobicContact CZ3-CB 4.24Å; W199-V284 HydrophobicContact CH2-CG2 4.02Å; W199-V284 HydrophobicContact CZ2-CG2 3.72Å
200	R	97.4	Very high	95.9	Very high	55 Å²	55	54.3 Å²	54.3	21%	0.208	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.6	173.9	70.5	179.3	-174.7	92.8	1.1	111.3	I219 V220 V224 S225 D226	R200-I219 WeakPolarHBondContact O-CA 3.4Å; R200-V220 HydrophobicContact CG-CG2 3.68Å; R200-V220 PolarHBondContact N-O 3.42Å; R200-V220 PolarHBondContact O-N 3.41Å; R200-V220 VanDerWaalsContact O-O 3.12Å; R200-V224 PolarHBondContact NE-O 3.27Å; R200-V224 PolarHBondContact NH2-O 2.83Å; R200-S225 VanDerWaalsContact NH2-C 3.32Å; R200-D226 IonicContact CZ-OD1 3.5Å; R200-D226 VanDerWaalsContact CZ-OD1 3.27Å; R200-D226 IonicContact NH1-OD1 3.74Å; R200-D226 PolarHBondContact NH1-OD1 2.69Å; R200-D226 IonicContact NH2-OD1 3.18Å; R200-D226 PolarHBondContact NH2-OD1 3.32Å
201	I	97.7	Very high	96	Very high	41 Å²	41	50.3 Å²	50.3	21%	0.21	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.8	167.6	-60.9	171.8	0	0	0	107.1	V185 R186 F189 C217 W218 I219	V185-I201 HydrophobicContact CG1-CD1 3.98Å; V185-I201 HydrophobicContact CG1-CG1 4.03Å; V185-I201 HydrophobicContact CG1-CG2 4.07Å; R186-I201 HydrophobicContact CB-CD1 4.43Å; R186-I201 HydrophobicContact CG-CD1 3.68Å; F189-I201 HydrophobicContact CB-CD1 4Å; F189-I201 HydrophobicContact CB-CG1 4.49Å; F189-I201 HydrophobicContact CD2-CD1 4.08Å; F189-I201 HydrophobicContact CD2-CG1 3.71Å; F189-I201 HydrophobicContact CE2-CG1 4.26Å; F189-I201 HydrophobicContact CG-CD1 4.12Å; F189-I201 HydrophobicContact CG-CG1 4.27Å; I201-C217 HydrophobicContact CG2-CB 3.65Å; I201-W218 CarbonylContact C-O 3.58Å; I201-W218 WeakPolarHBondContact CA-O 3.5Å; I201-I219 HydrophobicContact CG1-CG1 4.4Å
202	T	97.4	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143.2	172.9	179.7	0	0	0	0	110.3	V204 C217 W218 V220 D226 I229	T202-V204 HydrophobicContact CG2-CG1 4.35Å; T202-V204 WeakPolarHBondContact OG1-CG1 3.45Å; T202-V204 PolarHBondContact OG1-N 2.98Å; T202-C217 WeakPolarHBondContact O-CA 3.2Å; T202-C217 WeakPolarHBondContact O-CB 3.5Å; T202-W218 HydrophobicContact CG2-CD2 3.77Å; T202-W218 VanDerWaalsContact CG2-CE2 3.43Å; T202-W218 HydrophobicContact CG2-CE3 4.43Å; T202-W218 HydrophobicContact CG2-CG 4.06Å; T202-W218 HydrophobicContact CG2-CH2 4.46Å; T202-W218 HydrophobicContact CG2-CZ2 3.8Å; T202-W218 PolarHBondContact N-O 3.46Å; T202-V220 HydrophobicContact CG2-CG1 4.03Å; T202-V220 HydrophobicContact CG2-CG2 4.23Å; T202-D226 PolarHBondContact OG1-OD1 2.85Å; T202-I229 HydrophobicContact CG2-CD1 3.88Å; T202-I229 WeakPolarHBondContact OG1-CD1 3.35Å
203	E	95.7	Very high	95.9	Very high	81 Å²	81	52.3 Å²	52.3	38%	0.379	27%	0.266	S	S	.	.			trans	-114.5	18	174.2	-59.7	-159.2	-172.3	0	0	111.9	K182 R186 N205 A206 C217	K182-E203 IonicContact NZ-OE1 3.41Å; K182-E203 IonicContact NZ-OE2 3.17Å; K182-E203 PolarHBondContact NZ-OE2 2.95Å; R186-E203 IonicContact NH2-OE1 2.77Å; R186-E203 PolarHBondContact NH2-OE1 3.05Å; E203-N205 PolarHBondContact O-N 3.12Å; E203-A206 HydrophobicContact CB-CB 4.37Å; E203-A206 VanDerWaalsContact O-CB 3.26Å; E203-A206 WeakPolarHBondContact O-CB 3.37Å; E203-A206 PolarHBondContact O-N 2.71Å; E203-C217 HydrophobicContact CG-CB 4.48Å
204	V	96.8	Very high	95.9	Very high	27 Å²	27	46.5 Å²	46.5	16%	0.164	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.7	-179.8	72.8	0	0	0	0	113.6	T202 F210 W218 D226 I229	T202-V204 HydrophobicContact CG2-CG1 4.35Å; T202-V204 WeakPolarHBondContact OG1-CG1 3.45Å; T202-V204 PolarHBondContact OG1-N 2.98Å; V204-F210 HydrophobicContact CG1-CD1 4.26Å; V204-F210 HydrophobicContact CG1-CG 4.39Å; V204-W218 HydrophobicContact CG1-CH2 3.56Å; V204-W218 HydrophobicContact CG1-CZ2 3.8Å; V204-D226 HydrophobicContact CB-CB 4.45Å; V204-D226 HydrophobicContact CG2-CB 4.27Å; V204-I229 HydrophobicContact CG1-CD1 4.29Å; V204-I229 HydrophobicContact CG1-CG2 4.02Å
205	N	96.5	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	23.4	179.5	-158.6	45.2	0	0	0	113.2	E203 N207 Y208 F210 C211 Y214 P215 L216 W218	E203-N205 PolarHBondContact O-N 3.12Å; N205-N207 PolarHBondContact O-N 2.82Å; N205-Y208 PolarHBondContact O-N 3.31Å; N205-Y208 VanDerWaalsContact OD1-CA 3.32Å; N205-Y208 WeakPolarHBondContact OD1-CA 3.42Å; N205-F210 HydrophobicContact CB-CB 4.32Å; N205-F210 PolarHBondContact OD1-N 3.46Å; N205-C211 PolarHBondContact ND2-O 2.9Å; N205-C211 PolarHBondContact OD1-N 2.93Å; N205-C211 PolarHBondContact OD1-O 2.95Å; N205-Y214 PolarHBondContact ND2-O 3.47Å; N205-P215 PolarHBondContact ND2-O 2.81Å; N205-L216 CarbonylContact C-O 3.52Å; N205-W218 HydrophobicContact CB-CH2 3.72Å; N205-W218 HydrophobicContact CB-CZ3 3.39Å
206	A	93	Very high	95.9	Very high	40 Å²	40	45.5 Å²	45.5	33%	0.331	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.4	-175.7	0	0	0	0	0	115.1	E203 L216	E203-A206 HydrophobicContact CB-CB 4.37Å; E203-A206 VanDerWaalsContact O-CB 3.26Å; E203-A206 WeakPolarHBondContact O-CB 3.37Å; E203-A206 PolarHBondContact O-N 2.71Å; A206-L216 PolarHBondContact N-O 3Å; A206-L216 WeakPolarHBondContact O-CD2 3.41Å
207	N	91.9	Very high	96	Very high	82 Å²	82	35.2 Å²	35.2	44%	0.439	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	10.3	176.2	60.3	1.1	0	0	0	113.2	N205 E209	N205-N207 PolarHBondContact O-N 2.82Å; N207-E209 HydrophobicContact CB-CG 4.45Å; N207-E209 VanDerWaalsContact CG-CD 3.48Å; N207-E209 WeakPolarHBondContact ND2-CG 3.49Å; N207-E209 PolarHBondContact ND2-OE1 3.31Å; N207-E209 VanDerWaalsContact ND2-OE1 3.08Å; N207-E209 PolarHBondContact ND2-OE2 3.5Å; N207-E209 PolarHBondContact O-N 2.99Å; N207-E209 WeakPolarHBondContact OD1-CB 3.37Å; N207-E209 WeakPolarHBondContact OD1-CG 3.44Å; N207-E209 PolarHBondContact OD1-N 3.28Å; N207-E209 VanDerWaalsContact OD1-N 3.16Å
208	Y	94.6	Very high	96.1	Very high	29 Å²	29	31 Å²	31	11%	0.114	16%	0.164	C	C	.	.	S	Bend	trans	64	12.7	-175.8	-58.7	-69.1	0	0	0	116.1	N205 P212 Y214 L216 A518 A519 K522	N205-Y208 PolarHBondContact O-N 3.31Å; N205-Y208 VanDerWaalsContact OD1-CA 3.32Å; N205-Y208 WeakPolarHBondContact OD1-CA 3.42Å; Y208-P212 WeakPolarHBondContact O-CA 3.36Å; Y208-P212 WeakPolarHBondContact O-CD 3.32Å; Y208-P212 VanDerWaalsContact O-CG 3.32Å; Y208-P212 WeakPolarHBondContact O-CG 3.21Å; Y208-Y214 WeakPolarHBondContact CD1-O 3.47Å; Y208-Y214 WeakPolarHBondContact CE1-O 3.19Å; Y208-L216 HydrophobicContact CD1-CD2 4.09Å; Y208-L216 HydrophobicContact CD2-CD2 3.84Å; Y208-L216 HydrophobicContact CE1-CD2 3.68Å; Y208-L216 HydrophobicContact CE1-CG 4.07Å; Y208-L216 HydrophobicContact CE2-CD2 3.41Å; Y208-L216 VanDerWaalsContact CE2-CD2 3.41Å; Y208-L216 HydrophobicContact CE2-CG 4.21Å; Y208-L216 HydrophobicContact CG-CD2 4.16Å; Y208-A518 HydrophobicContact CE1-CB 4.33Å; Y208-A518 WeakPolarHBondContact OH-CB 3.41Å; Y208-A519 HydrophobicContact CD1-CB 3.75Å; Y208-A519 HydrophobicContact CD2-CB 3.66Å; Y208-A519 HydrophobicContact CE1-CB 4.2Å; Y208-A519 HydrophobicContact CE2-CB 4.11Å; Y208-A519 HydrophobicContact CG-CB 3.46Å; Y208-A519 VanDerWaalsContact CG-CB 3.46Å; Y208-K522 HydrophobicContact CE2-CD 4.04Å
209	E	96	Very high	96.2	Very high	149 Å²	149	30.8 Å²	30.8	70%	0.696	16%	0.162	S	C	*	.	S	Bend	trans	-76.4	-36.6	-178.5	-71.7	174.8	-177.7	0	0	113.4	N207	N207-E209 HydrophobicContact CB-CG 4.45Å; N207-E209 VanDerWaalsContact CG-CD 3.48Å; N207-E209 WeakPolarHBondContact ND2-CG 3.49Å; N207-E209 PolarHBondContact ND2-OE1 3.31Å; N207-E209 VanDerWaalsContact ND2-OE1 3.08Å; N207-E209 PolarHBondContact ND2-OE2 3.5Å; N207-E209 PolarHBondContact O-N 2.99Å; N207-E209 WeakPolarHBondContact OD1-CB 3.37Å; N207-E209 WeakPolarHBondContact OD1-CG 3.44Å; N207-E209 PolarHBondContact OD1-N 3.28Å; N207-E209 VanDerWaalsContact OD1-N 3.16Å
210	F	97.3	Very high	96.3	Very high	17 Å²	17	30.8 Å²	30.8	8%	0.075	16%	0.162	C	C	.	.	S	Bend	trans	-67.2	-50.2	-178.9	170.5	-100.3	0	0	0	111.7	V204 N205 W218 I229 E230 R239 V241	V204-F210 HydrophobicContact CG1-CD1 4.26Å; V204-F210 HydrophobicContact CG1-CG 4.39Å; N205-F210 HydrophobicContact CB-CB 4.32Å; N205-F210 PolarHBondContact OD1-N 3.46Å; F210-W218 AromaticContact CD1-CH2 3.87Å; F210-W218 HydrophobicContact CD1-CH2 3.87Å; F210-W218 HydrophobicContact CD1-CZ2 4.48Å; F210-W218 HydrophobicContact CE1-CH2 4.08Å; F210-W218 HydrophobicContact CE1-CZ2 4.27Å; F210-I229 HydrophobicContact CE1-CG2 3.95Å; F210-I229 HydrophobicContact CE2-CG2 4.21Å; F210-I229 HydrophobicContact CZ-CG2 3.65Å; F210-E230 HydrophobicContact CD2-CG 4.49Å; F210-E230 HydrophobicContact CE2-CG 4.48Å; F210-R239 HydrophobicContact CE1-CB 4.31Å; F210-R239 WeakPolarHBondContact CE1-O 3.17Å; F210-R239 HydrophobicContact CE2-CB 4.3Å; F210-R239 HydrophobicContact CZ-CB 4Å; F210-R239 VanDerWaalsContact O-CD 3.24Å; F210-R239 WeakPolarHBondContact O-CD 3.4Å; F210-V241 HydrophobicContact CE1-CG1 4.42Å; F210-V241 HydrophobicContact CE1-CG2 4.17Å; F210-V241 HydrophobicContact CZ-CG1 3.95Å; F210-V241 HydrophobicContact CZ-CG2 4.44Å
211	C	97.6	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.			trans	-147.4	100.7	176.4	-177	0	0	0	0	109.8	N205 S213 Y214 L238 R239 R240	N205-C211 PolarHBondContact ND2-O 2.9Å; N205-C211 PolarHBondContact OD1-N 2.93Å; N205-C211 PolarHBondContact OD1-O 2.95Å; C211-S213 PolarHBondContact O-N 2.8Å; C211-S213 PolarHBondContact SG-OG 3.33Å; C211-S213 VanDerWaalsContact SG-OG 3.39Å; C211-Y214 HydrophobicContact CB-CG 4.34Å; C211-Y214 PolarHBondContact O-N 3.25Å; C211-L238 PolarHBondContact SG-O 2.87Å; C211-R239 HydrophobicContact CB-CB 4.46Å; C211-R240 VanDerWaalsContact SG-CG 3.57Å
212	P	96.6	Very high	96.3	Very high	74 Å²	74	28 Å²	28	48%	0.481	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.5	-177	-23.8	31.2	0	0	0	115.7	Y208 S517 A519	Y208-P212 WeakPolarHBondContact O-CA 3.36Å; Y208-P212 WeakPolarHBondContact O-CD 3.32Å; Y208-P212 VanDerWaalsContact O-CG 3.32Å; Y208-P212 WeakPolarHBondContact O-CG 3.21Å; P212-S517 WeakPolarHBondContact O-CB 3.49Å; P212-S517 PolarHBondContact O-OG 2.95Å; P212-A519 HydrophobicContact CB-CB 4.49Å; P212-A519 VanDerWaalsContact O-CB 3.3Å; P212-A519 WeakPolarHBondContact O-CB 3.48Å
213	S	96.5	Very high	96.3	Very high	19 Å²	19	31.5 Å²	31.5	13%	0.133	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	0.1	179.4	68.4	0	0	0	0	113.5	C211 R240 F451 G452	C211-S213 PolarHBondContact O-N 2.8Å; C211-S213 PolarHBondContact SG-OG 3.33Å; C211-S213 VanDerWaalsContact SG-OG 3.39Å; S213-R240 VanDerWaalsContact CB-NH1 3.27Å; S213-R240 PolarHBondContact O-NH1 3.42Å; S213-R240 WeakPolarHBondContact OG-CD 3.45Å; S213-R240 PolarHBondContact OG-NH1 3.04Å; S213-F451 CarbonylContact O-C 3.52Å; S213-F451 VanDerWaalsContact O-O 3.1Å; S213-G452 WeakPolarHBondContact O-CA 3.47Å; S213-G452 PolarHBondContact O-N 3.39Å
214	Y	97.1	Very high	96.4	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	16%	0.164	C	C	.	.	S	Bend	trans	-100.7	160.8	172.2	-95.5	24.4	0	0	0	111	N205 Y208 C211 W218 R240 V241 A243 G450 F451	N205-Y214 PolarHBondContact ND2-O 3.47Å; Y208-Y214 WeakPolarHBondContact CD1-O 3.47Å; Y208-Y214 WeakPolarHBondContact CE1-O 3.19Å; C211-Y214 HydrophobicContact CB-CG 4.34Å; C211-Y214 PolarHBondContact O-N 3.25Å; Y214-W218 HydrophobicContact CD2-CD2 4.27Å; Y214-W218 HydrophobicContact CD2-CE3 4.1Å; Y214-W218 HydrophobicContact CD2-CH2 4.11Å; Y214-W218 HydrophobicContact CD2-CZ2 4.27Å; Y214-W218 AromaticContact CD2-CZ3 3.99Å; Y214-W218 HydrophobicContact CD2-CZ3 3.99Å; Y214-R240 HydrophobicContact CD1-CB 4.27Å; Y214-R240 HydrophobicContact CD1-CG 3.85Å; Y214-R240 HydrophobicContact CE1-CB 3.52Å; Y214-R240 HydrophobicContact CE1-CG 3.55Å; Y214-R240 PolarHBondContact OH-O 3.42Å; Y214-V241 HydrophobicContact CE2-CG2 4.22Å; Y214-V241 VanDerWaalsContact CE2-O 3.29Å; Y214-V241 WeakPolarHBondContact CE2-O 3.47Å; Y214-V241 PolarHBondContact OH-O 3.34Å; Y214-A243 HydrophobicContact CE2-CB 4.04Å; Y214-G450 CarbonylContact C-O 3.6Å; Y214-G450 VanDerWaalsContact C-O 3.31Å; Y214-F451 AromaticContact CD1-CD1 3.69Å; Y214-F451 HydrophobicContact CD1-CD1 3.69Å; Y214-F451 HydrophobicContact CD1-CE1 4.22Å; Y214-F451 HydrophobicContact CD2-CE1 4.26Å; Y214-F451 AromaticContact CE1-CD1 3.64Å; Y214-F451 HydrophobicContact CE1-CD1 3.64Å; Y214-F451 HydrophobicContact CE1-CE1 4.1Å; Y214-F451 HydrophobicContact CE2-CE1 4.18Å; Y214-F451 HydrophobicContact CG-CD1 4.13Å; Y214-F451 HydrophobicContact CG-CE1 4.28Å
215	P	95.7	Very high	96.4	Very high	6 Å²	6	29 Å²	29	4%	0.039	17%	0.174	C	C	.	.			trans	-66.6	170.6	174.3	28.7	-34.7	0	0	0	111.5	N205 C217 W218 G450 F451	N205-P215 PolarHBondContact ND2-O 2.81Å; P215-C217 WeakPolarHBondContact CG-O 3.4Å; P215-C217 PolarHBondContact O-N 2.96Å; P215-W218 HydrophobicContact CG-CE3 4.4Å; P215-G450 VanDerWaalsContact CD-O 3.31Å; P215-G450 WeakPolarHBondContact CD-O 3.41Å; P215-F451 HydrophobicContact CG-CD1 4.3Å; P215-F451 HydrophobicContact CG-CE1 3.95Å; P215-F451 HydrophobicContact CG-CE2 4.25Å; P215-F451 HydrophobicContact CG-CZ 3.92Å
216	L	94.6	Very high	96.5	Very high	22 Å²	22	32.1 Å²	32.1	12%	0.115	19%	0.191	C	C	.	.	S	Bend	trans	-61.3	-32.2	178.8	-66.7	177.9	0	0	0	112.9	N205 A206 Y208	N205-L216 CarbonylContact C-O 3.52Å; A206-L216 PolarHBondContact N-O 3Å; A206-L216 WeakPolarHBondContact O-CD2 3.41Å; Y208-L216 HydrophobicContact CD1-CD2 4.09Å; Y208-L216 HydrophobicContact CD2-CD2 3.84Å; Y208-L216 HydrophobicContact CE1-CD2 3.68Å; Y208-L216 HydrophobicContact CE1-CG 4.07Å; Y208-L216 HydrophobicContact CE2-CD2 3.41Å; Y208-L216 VanDerWaalsContact CE2-CD2 3.41Å; Y208-L216 HydrophobicContact CE2-CG 4.21Å; Y208-L216 HydrophobicContact CG-CD2 4.16Å
217	C	95.3	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.			trans	-149.5	154.6	-179.3	62.9	0	0	0	0	110.4	I201 T202 E203 P215	I201-C217 HydrophobicContact CG2-CB 3.65Å; T202-C217 WeakPolarHBondContact O-CA 3.2Å; T202-C217 WeakPolarHBondContact O-CB 3.5Å; E203-C217 HydrophobicContact CG-CB 4.48Å; P215-C217 WeakPolarHBondContact CG-O 3.4Å; P215-C217 PolarHBondContact O-N 2.96Å
218	W	96.9	Very high	97	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	175.2	175.5	62.6	90.6	0	0	0	110.4	I201 T202 V204 N205 F210 Y214 P215 I229 V241 A243 F451	I201-W218 CarbonylContact C-O 3.58Å; I201-W218 WeakPolarHBondContact CA-O 3.5Å; T202-W218 HydrophobicContact CG2-CD2 3.77Å; T202-W218 VanDerWaalsContact CG2-CE2 3.43Å; T202-W218 HydrophobicContact CG2-CE3 4.43Å; T202-W218 HydrophobicContact CG2-CG 4.06Å; T202-W218 HydrophobicContact CG2-CH2 4.46Å; T202-W218 HydrophobicContact CG2-CZ2 3.8Å; T202-W218 PolarHBondContact N-O 3.46Å; V204-W218 HydrophobicContact CG1-CH2 3.56Å; V204-W218 HydrophobicContact CG1-CZ2 3.8Å; N205-W218 HydrophobicContact CB-CH2 3.72Å; N205-W218 HydrophobicContact CB-CZ3 3.39Å; F210-W218 AromaticContact CD1-CH2 3.87Å; F210-W218 HydrophobicContact CD1-CH2 3.87Å; F210-W218 HydrophobicContact CD1-CZ2 4.48Å; F210-W218 HydrophobicContact CE1-CH2 4.08Å; F210-W218 HydrophobicContact CE1-CZ2 4.27Å; Y214-W218 HydrophobicContact CD2-CD2 4.27Å; Y214-W218 HydrophobicContact CD2-CE3 4.1Å; Y214-W218 HydrophobicContact CD2-CH2 4.11Å; Y214-W218 HydrophobicContact CD2-CZ2 4.27Å; Y214-W218 AromaticContact CD2-CZ3 3.99Å; Y214-W218 HydrophobicContact CD2-CZ3 3.99Å; P215-W218 HydrophobicContact CG-CE3 4.4Å; W218-I229 HydrophobicContact CZ2-CG2 4.29Å; W218-V241 HydrophobicContact CZ2-CG2 4Å; W218-A243 HydrophobicContact CB-CB 4.27Å; W218-A243 HydrophobicContact CG-CB 3.94Å; W218-F451 HydrophobicContact CB-CZ 4.48Å
219	I	98.4	Very high	97.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134	-174.9	-54	175.1	0	0	0	110.2	V185 F189 F194 W199 R200 I201 V244	V185-I219 HydrophobicContact CG1-CG1 4Å; F189-I219 HydrophobicContact CB-CD1 4.29Å; F189-I219 HydrophobicContact CD2-CD1 3.85Å; F189-I219 HydrophobicContact CD2-CG1 4.02Å; F189-I219 HydrophobicContact CD2-CG2 4.31Å; F189-I219 HydrophobicContact CE2-CG2 4.3Å; F194-I219 HydrophobicContact CD1-CG2 4.11Å; F194-I219 HydrophobicContact CD2-CD1 3.92Å; F194-I219 HydrophobicContact CE1-CD1 4.36Å; F194-I219 HydrophobicContact CE1-CG2 3.97Å; F194-I219 HydrophobicContact CE2-CD1 3.57Å; F194-I219 HydrophobicContact CG-CD1 4.41Å; F194-I219 HydrophobicContact CZ-CD1 3.8Å; F194-I219 HydrophobicContact CZ-CG2 4.4Å; W199-I219 HydrophobicContact CB-CG2 4.21Å; W199-I219 HydrophobicContact CE3-CG2 4.17Å; R200-I219 WeakPolarHBondContact O-CA 3.4Å; I201-I219 HydrophobicContact CG1-CG1 4.4Å; I219-V244 HydrophobicContact CB-CB 4.04Å; I219-V244 HydrophobicContact CG2-CB 4.14Å; I219-V244 HydrophobicContact CG2-CG1 4.38Å; I219-V244 WeakPolarHBondContact O-CB 3.45Å; I219-V244 PolarHBondContact O-N 3.39Å
220	V	98.5	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	161.9	175.2	-63.1	0	0	0	0	109.9	W199 R200 T202 I229 F276	W199-V220 WeakPolarHBondContact CA-O 3.11Å; R200-V220 HydrophobicContact CG-CG2 3.68Å; R200-V220 PolarHBondContact N-O 3.42Å; R200-V220 PolarHBondContact O-N 3.41Å; R200-V220 VanDerWaalsContact O-O 3.12Å; T202-V220 HydrophobicContact CG2-CG1 4.03Å; T202-V220 HydrophobicContact CG2-CG2 4.23Å; V220-I229 HydrophobicContact CG1-CD1 4.3Å; V220-I229 HydrophobicContact CG2-CD1 4.35Å; V220-F276 HydrophobicContact CB-CZ 4.48Å; V220-F276 HydrophobicContact CG1-CZ 4.03Å
221	P	98.4	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	142.8	170.9	-25	34.7	0	0	0	112	S198 W199 S223 V224 I280 A283	S198-P221 WeakPolarHBondContact O-CA 3.42Å; W199-P221 HydrophobicContact CE3-CG 4.43Å; W199-P221 HydrophobicContact CZ3-CG 3.94Å; P221-S223 PolarHBondContact O-N 2.54Å; P221-V224 HydrophobicContact CB-CG2 3.96Å; P221-V224 HydrophobicContact CG-CG2 4.06Å; P221-V224 PolarHBondContact O-N 3.03Å; P221-V224 VanDerWaalsContact O-N 3.13Å; P221-I280 HydrophobicContact CG-CB 4.42Å; P221-I280 HydrophobicContact CG-CG1 3.73Å; P221-A283 HydrophobicContact CB-CB 4.04Å; P221-A283 HydrophobicContact CG-CB 4.41Å
222	A	97.5	Very high	97.3	Very high	38 Å²	38	30.7 Å²	30.7	31%	0.314	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.5	178.4	0	0	0	0	0	112.6	S197 S198 V224	S197-A222 WeakPolarHBondContact O-CB 3.48Å; S198-A222 PolarHBondContact O-N 3.48Å; A222-V224 VanDerWaalsContact C-N 3.31Å; A222-V224 PolarHBondContact O-N 2.89Å
223	S	97	Very high	97.4	Very high	74 Å²	74	27.2 Å²	27.2	52%	0.517	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.3	177.5	63.4	0	0	0	0	114.5	P221	P221-S223 PolarHBondContact O-N 2.54Å
224	V	98	Very high	97.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.189	C	C	.	.			trans	-86.4	118	179	171.5	0	0	0	0	107.9	R200 P221 A222 D228 I229 F276	R200-V224 PolarHBondContact NE-O 3.27Å; R200-V224 PolarHBondContact NH2-O 2.83Å; P221-V224 HydrophobicContact CB-CG2 3.96Å; P221-V224 HydrophobicContact CG-CG2 4.06Å; P221-V224 PolarHBondContact O-N 3.03Å; P221-V224 VanDerWaalsContact O-N 3.13Å; A222-V224 VanDerWaalsContact C-N 3.31Å; A222-V224 PolarHBondContact O-N 2.89Å; V224-D228 HydrophobicContact CG1-CB 3.87Å; V224-I229 HydrophobicContact CG1-CG1 3.86Å; V224-F276 HydrophobicContact CG1-CD2 3.85Å; V224-F276 HydrophobicContact CG1-CE2 3.5Å; V224-F276 HydrophobicContact CG1-CZ 4Å; V224-F276 HydrophobicContact CG2-CD2 4.49Å
225	S	97.8	Very high	97.4	Very high	52 Å²	52	36 Å²	36	36%	0.364	19%	0.194	S	C	.	.			trans	-79.2	166.7	175.3	72.7	0	0	0	0	112	R200 S227 D228 I229	R200-S225 VanDerWaalsContact NH2-C 3.32Å; S225-S227 PolarHBondContact O-N 3.49Å; S225-S227 PolarHBondContact OG-N 2.94Å; S225-D228 VanDerWaalsContact CB-OD2 3.3Å; S225-D228 WeakPolarHBondContact CB-OD2 3.45Å; S225-D228 PolarHBondContact N-OD2 3.25Å; S225-D228 WeakPolarHBondContact O-CB 3.06Å; S225-D228 PolarHBondContact O-N 3.06Å; S225-D228 PolarHBondContact OG-N 3.16Å; S225-D228 VanDerWaalsContact OG-N 3.16Å; S225-D228 PolarHBondContact OG-OD2 3.22Å; S225-I229 WeakPolarHBondContact O-CG1 3.3Å; S225-I229 PolarHBondContact O-N 2.96Å; S225-I229 VanDerWaalsContact O-N 3.13Å
226	D	97.5	Very high	97.5	Very high	65 Å²	65	35.8 Å²	35.8	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-66.5	-28.3	175.1	-66.8	-20.5	0	0	0	111.9	R200 T202 V204 I229 E230	R200-D226 IonicContact CZ-OD1 3.5Å; R200-D226 VanDerWaalsContact CZ-OD1 3.27Å; R200-D226 IonicContact NH1-OD1 3.74Å; R200-D226 PolarHBondContact NH1-OD1 2.69Å; R200-D226 IonicContact NH2-OD1 3.18Å; R200-D226 PolarHBondContact NH2-OD1 3.32Å; T202-D226 PolarHBondContact OG1-OD1 2.85Å; V204-D226 HydrophobicContact CB-CB 4.45Å; V204-D226 HydrophobicContact CG2-CB 4.27Å; D226-I229 WeakPolarHBondContact O-CB 3.28Å; D226-I229 PolarHBondContact O-N 3.44Å; D226-E230 PolarHBondContact O-N 2.94Å
227	S	97.6	Very high	97.6	Very high	65 Å²	65	35.3 Å²	35.3	46%	0.455	19%	0.19	S	C	.	.	H	α-helix	trans	-65.4	-38.5	170.9	-171.4	0	0	0	0	112.1	S225 I229 E230 M231	S225-S227 PolarHBondContact O-N 3.49Å; S225-S227 PolarHBondContact OG-N 2.94Å; S227-I229 VanDerWaalsContact C-N 3.31Å; S227-I229 PolarHBondContact O-N 2.98Å; S227-E230 PolarHBondContact O-N 3.41Å; S227-M231 WeakPolarHBondContact O-CG 3.35Å; S227-M231 PolarHBondContact O-N 2.87Å
228	D	98	Very high	97.7	Very high	57 Å²	57	39.6 Å²	39.6	31%	0.305	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-38.1	174.4	-60.5	-50.3	0	0	0	111.6	V224 S225 M231 C232	V224-D228 HydrophobicContact CG1-CB 3.87Å; S225-D228 VanDerWaalsContact CB-OD2 3.3Å; S225-D228 WeakPolarHBondContact CB-OD2 3.45Å; S225-D228 PolarHBondContact N-OD2 3.25Å; S225-D228 WeakPolarHBondContact O-CB 3.06Å; S225-D228 PolarHBondContact O-N 3.06Å; S225-D228 PolarHBondContact OG-N 3.16Å; S225-D228 VanDerWaalsContact OG-N 3.16Å; S225-D228 PolarHBondContact OG-OD2 3.22Å; D228-M231 PolarHBondContact O-N 3.03Å; D228-M231 WeakPolarHBondContact OD1-CE 3.33Å; D228-C232 WeakPolarHBondContact O-CB 3.4Å; D228-C232 PolarHBondContact O-N 3.27Å
229	I	98.4	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-46.4	173.4	-63.8	169.1	0	0	0	110.5	T202 V204 F210 W218 V220 V224 S225 D226 S227 M231 C232 G233 V241 F276	T202-I229 HydrophobicContact CG2-CD1 3.88Å; T202-I229 WeakPolarHBondContact OG1-CD1 3.35Å; V204-I229 HydrophobicContact CG1-CD1 4.29Å; V204-I229 HydrophobicContact CG1-CG2 4.02Å; F210-I229 HydrophobicContact CE1-CG2 3.95Å; F210-I229 HydrophobicContact CE2-CG2 4.21Å; F210-I229 HydrophobicContact CZ-CG2 3.65Å; W218-I229 HydrophobicContact CZ2-CG2 4.29Å; V220-I229 HydrophobicContact CG1-CD1 4.3Å; V220-I229 HydrophobicContact CG2-CD1 4.35Å; V224-I229 HydrophobicContact CG1-CG1 3.86Å; S225-I229 WeakPolarHBondContact O-CG1 3.3Å; S225-I229 PolarHBondContact O-N 2.96Å; S225-I229 VanDerWaalsContact O-N 3.13Å; D226-I229 WeakPolarHBondContact O-CB 3.28Å; D226-I229 PolarHBondContact O-N 3.44Å; S227-I229 VanDerWaalsContact C-N 3.31Å; S227-I229 PolarHBondContact O-N 2.98Å; I229-M231 VanDerWaalsContact C-N 3.35Å; I229-M231 PolarHBondContact O-N 3.21Å; I229-C232 PolarHBondContact O-N 2.77Å; I229-G233 PolarHBondContact O-N 3.27Å; I229-V241 HydrophobicContact CG2-CG2 4.07Å; I229-F276 HydrophobicContact CG1-CE2 3.94Å
230	E	97.9	Very high	97.7	Very high	93 Å²	93	45.5 Å²	45.5	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-43.2	177.3	-73.4	179.6	-168.3	0	0	112.6	F210 D226 S227 G233 R234	F210-E230 HydrophobicContact CD2-CG 4.49Å; F210-E230 HydrophobicContact CE2-CG 4.48Å; D226-E230 PolarHBondContact O-N 2.94Å; S227-E230 PolarHBondContact O-N 3.41Å; E230-G233 PolarHBondContact O-N 2.81Å; E230-R234 PolarHBondContact O-N 2.89Å
231	M	97.9	Very high	97.7	Very high	72 Å²	72	45.4 Å²	45.4	36%	0.355	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-43.9	177.9	-70.7	-173.2	-71.2	0	0	112.1	S227 D228 I229 G233 R234 A272	S227-M231 WeakPolarHBondContact O-CG 3.35Å; S227-M231 PolarHBondContact O-N 2.87Å; D228-M231 PolarHBondContact O-N 3.03Å; D228-M231 WeakPolarHBondContact OD1-CE 3.33Å; I229-M231 VanDerWaalsContact C-N 3.35Å; I229-M231 PolarHBondContact O-N 3.21Å; M231-G233 VanDerWaalsContact C-N 3.31Å; M231-G233 PolarHBondContact O-N 3.31Å; M231-R234 PolarHBondContact O-N 3.45Å; M231-A272 HydrophobicContact CB-CB 3.72Å
232	C	97.9	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-40.2	173.2	173	0	0	0	0	111.2	D228 I229 R234 Y235 R236 V241 D273 F276	D228-C232 WeakPolarHBondContact O-CB 3.4Å; D228-C232 PolarHBondContact O-N 3.27Å; I229-C232 PolarHBondContact O-N 2.77Å; C232-R234 PolarHBondContact O-N 3.36Å; C232-Y235 PolarHBondContact O-N 3.19Å; C232-R236 PolarHBondContact O-N 3.07Å; C232-V241 HydrophobicContact CB-CG1 4.16Å; C232-D273 PolarHBondContact SG-OD1 3.12Å; C232-F276 HydrophobicContact CB-CD2 3.76Å; C232-F276 HydrophobicContact CB-CE2 4.37Å; C232-F276 HydrophobicContact CB-CG 4.49Å
233	G	97.6	Very high	97.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-32.3	178.8	0	0	0	0	0	113.8	I229 E230 M231 Y235 R236 R239	I229-G233 PolarHBondContact O-N 3.27Å; E230-G233 PolarHBondContact O-N 2.81Å; M231-G233 VanDerWaalsContact C-N 3.31Å; M231-G233 PolarHBondContact O-N 3.31Å; G233-Y235 PolarHBondContact O-N 2.91Å; G233-R236 PolarHBondContact O-N 3.47Å; G233-R239 WeakPolarHBondContact O-CA 3.44Å; G233-R239 WeakPolarHBondContact O-CG 3.31Å
234	R	96.7	Very high	97.9	Very high	179 Å²	179	40.2 Å²	40.2	68%	0.675	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.5	176.3	-64.9	173.8	-167.9	174.3	4.2	113.8	E230 M231 C232	E230-R234 PolarHBondContact O-N 2.89Å; M231-R234 PolarHBondContact O-N 3.45Å; C232-R234 PolarHBondContact O-N 3.36Å
235	Y	97.3	Very high	97.9	Very high	26 Å²	26	40.1 Å²	40.1	10%	0.102	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-11.2	-178.5	-171.2	-110.3	0	0	0	113.5	C232 G233 P261 E262 P263 W268 S270 D273	C232-Y235 PolarHBondContact O-N 3.19Å; G233-Y235 PolarHBondContact O-N 2.91Å; Y235-P261 HydrophobicContact CD1-CB 3.88Å; Y235-P261 HydrophobicContact CE1-CB 3.39Å; Y235-P261 CarbonylContact O-C 3.54Å; Y235-P261 WeakPolarHBondContact O-CA 3.3Å; Y235-E262 PolarHBondContact O-N 3.46Å; Y235-P263 HydrophobicContact CE2-CB 4.45Å; Y235-P263 WeakPolarHBondContact OH-CB 3.42Å; Y235-W268 WeakPolarHBondContact CE2-O 3.33Å; Y235-W268 PolarHBondContact OH-O 3.41Å; Y235-S270 VanDerWaalsContact CD1-CB 3.47Å; Y235-D273 HydrophobicContact CD1-CB 3.69Å; Y235-D273 HydrophobicContact CE1-CB 4.25Å
236	R	97.7	Very high	97.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-103.5	134.9	179.8	-70.1	-76.2	-179.4	174.7	-7.6	109.6	C232 G233 L238 R239 S258 S259 D273 E334	C232-R236 PolarHBondContact O-N 3.07Å; G233-R236 PolarHBondContact O-N 3.47Å; R236-L238 PolarHBondContact O-N 3.22Å; R236-R239 WeakPolarHBondContact O-CA 3.26Å; R236-R239 PolarHBondContact O-N 3.02Å; R236-S258 PolarHBondContact NH1-OG 2.74Å; R236-S259 PolarHBondContact NH1-O 2.98Å; R236-D273 IonicContact CZ-OD1 3.77Å; R236-D273 IonicContact CZ-OD2 3.68Å; R236-D273 IonicContact NE-OD1 3.03Å; R236-D273 PolarHBondContact NE-OD1 3.18Å; R236-D273 IonicContact NE-OD2 3.04Å; R236-D273 IonicContact NH2-OD1 3.61Å; R236-D273 PolarHBondContact NH2-OD1 3.4Å; R236-D273 IonicContact NH2-OD2 2.75Å; R236-D273 PolarHBondContact NH2-OD2 3.01Å; R236-E334 IonicContact CZ-OE1 3.46Å; R236-E334 IonicContact NH1-OE1 3.31Å; R236-E334 PolarHBondContact NH1-OE1 2.82Å; R236-E334 IonicContact NH2-OE1 2.94Å; R236-E334 PolarHBondContact NH2-OE1 3.36Å
237	S	97.3	Very high	97.9	Very high	11 Å²	11	35.8 Å²	35.8	8%	0.077	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-58.4	131.4	-175.8	-157.7	0	0	0	0	111.6	R239 R240 S259 Q260 E262	S237-R239 PolarHBondContact O-N 2.88Å; S237-R239 VanDerWaalsContact O-N 3.1Å; S237-R240 PolarHBondContact O-N 3.44Å; S237-S259 PolarHBondContact N-OG 3.05Å; S237-S259 VanDerWaalsContact N-OG 3.11Å; S237-S259 WeakPolarHBondContact O-CB 3.34Å; S237-S259 PolarHBondContact O-OG 2.71Å; S237-Q260 PolarHBondContact N-O 3.45Å; S237-E262 VanDerWaalsContact CA-OE1 3.26Å; S237-E262 WeakPolarHBondContact CA-OE1 3.32Å; S237-E262 WeakPolarHBondContact CB-OE1 3.47Å; S237-E262 PolarHBondContact OG-OE1 3.16Å
238	L	96.7	Very high	97.9	Very high	91 Å²	91	33.6 Å²	33.6	48%	0.476	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	54.4	24.9	-174	-54.9	174.6	0	0	0	114	C211 R236 R240 W416	C211-L238 PolarHBondContact SG-O 2.87Å; R236-L238 PolarHBondContact O-N 3.22Å; L238-R240 HydrophobicContact CB-CG 4.31Å; L238-R240 PolarHBondContact O-N 3.47Å; L238-W416 HydrophobicContact CD1-CH2 3.45Å; L238-W416 VanDerWaalsContact CD1-CH2 3.45Å; L238-W416 HydrophobicContact CD1-CZ3 3.36Å
239	R	98.1	Very high	97.6	Very high	125 Å²	125	34.8 Å²	34.8	47%	0.472	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	57.7	23.8	-177.3	-51.7	-179.5	174.4	-176.3	0.3	114.1	F210 C211 G233 R236 S237 V241	F210-R239 HydrophobicContact CE1-CB 4.31Å; F210-R239 WeakPolarHBondContact CE1-O 3.17Å; F210-R239 HydrophobicContact CE2-CB 4.3Å; F210-R239 HydrophobicContact CZ-CB 4Å; F210-R239 VanDerWaalsContact O-CD 3.24Å; F210-R239 WeakPolarHBondContact O-CD 3.4Å; C211-R239 HydrophobicContact CB-CB 4.46Å; G233-R239 WeakPolarHBondContact O-CA 3.44Å; G233-R239 WeakPolarHBondContact O-CG 3.31Å; R236-R239 WeakPolarHBondContact O-CA 3.26Å; R236-R239 PolarHBondContact O-N 3.02Å; S237-R239 PolarHBondContact O-N 2.88Å; S237-R239 VanDerWaalsContact O-N 3.1Å; R239-V241 PolarHBondContact O-N 3.36Å
240	R	98.4	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.			trans	-80.4	71.8	177.9	-66.6	174	66	91.6	-1.1	110.1	C211 S213 Y214 S237 L238 S258 S259 D414 G415 F451	C211-R240 VanDerWaalsContact SG-CG 3.57Å; S213-R240 VanDerWaalsContact CB-NH1 3.27Å; S213-R240 PolarHBondContact O-NH1 3.42Å; S213-R240 WeakPolarHBondContact OG-CD 3.45Å; S213-R240 PolarHBondContact OG-NH1 3.04Å; Y214-R240 HydrophobicContact CD1-CB 4.27Å; Y214-R240 HydrophobicContact CD1-CG 3.85Å; Y214-R240 HydrophobicContact CE1-CB 3.52Å; Y214-R240 HydrophobicContact CE1-CG 3.55Å; Y214-R240 PolarHBondContact OH-O 3.42Å; S237-R240 PolarHBondContact O-N 3.44Å; L238-R240 HydrophobicContact CB-CG 4.31Å; L238-R240 PolarHBondContact O-N 3.47Å; R240-S258 WeakPolarHBondContact O-CB 3.43Å; R240-S259 WeakPolarHBondContact CB-OG 3.42Å; R240-S259 PolarHBondContact O-N 2.83Å; R240-S259 PolarHBondContact O-OG 2.95Å; R240-D414 WeakPolarHBondContact CD-O 3.24Å; R240-D414 PolarHBondContact NE-O 3.46Å; R240-G415 PolarHBondContact NH2-O 2.91Å; R240-F451 VanDerWaalsContact CZ-O 3.32Å; R240-F451 PolarHBondContact NH1-O 2.82Å; R240-F451 PolarHBondContact NH2-O 3.01Å
241	V	98.5	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.			trans	-61	161.6	-180	-63.5	0	0	0	0	112.6	F210 Y214 W218 I229 C232 R239 A243	F210-V241 HydrophobicContact CE1-CG1 4.42Å; F210-V241 HydrophobicContact CE1-CG2 4.17Å; F210-V241 HydrophobicContact CZ-CG1 3.95Å; F210-V241 HydrophobicContact CZ-CG2 4.44Å; Y214-V241 HydrophobicContact CE2-CG2 4.22Å; Y214-V241 VanDerWaalsContact CE2-O 3.29Å; Y214-V241 WeakPolarHBondContact CE2-O 3.47Å; Y214-V241 PolarHBondContact OH-O 3.34Å; W218-V241 HydrophobicContact CZ2-CG2 4Å; I229-V241 HydrophobicContact CG2-CG2 4.07Å; C232-V241 HydrophobicContact CB-CG1 4.16Å; R239-V241 PolarHBondContact O-N 3.36Å; V241-A243 PolarHBondContact O-N 2.8Å
242	P	98.7	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.			trans	-52.6	120.8	171.8	-25.9	35.6	0	0	0	112.5	V256 R257 F276 L277 I280 L409	P242-V256 HydrophobicContact CB-CG1 3.78Å; P242-R257 CarbonylContact C-O 3.6Å; P242-R257 WeakPolarHBondContact CA-O 3.4Å; P242-F276 HydrophobicContact CB-CD1 4.13Å; P242-F276 HydrophobicContact CB-CE1 3.88Å; P242-F276 HydrophobicContact CG-CD1 4.22Å; P242-F276 HydrophobicContact CG-CE1 4.37Å; P242-L277 HydrophobicContact CB-CD2 4.12Å; P242-L277 HydrophobicContact CG-CD2 3.68Å; P242-I280 HydrophobicContact CB-CD1 4.13Å; P242-L409 HydrophobicContact CB-CD1 4.28Å
243	A	98.7	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.9	177.1	0	0	0	0	0	109.7	Y214 W218 V241 V256 R257 F451	Y214-A243 HydrophobicContact CE2-CB 4.04Å; W218-A243 HydrophobicContact CB-CB 4.27Å; W218-A243 HydrophobicContact CG-CB 3.94Å; V241-A243 PolarHBondContact O-N 2.8Å; A243-V256 WeakPolarHBondContact O-CA 3.17Å; A243-V256 WeakPolarHBondContact O-CG1 3.43Å; A243-R257 HydrophobicContact CB-CG 4.37Å; A243-R257 PolarHBondContact N-O 2.81Å; A243-R257 PolarHBondContact O-N 3.38Å; A243-F451 HydrophobicContact CB-CE1 3.78Å; A243-F451 HydrophobicContact CB-CZ 3.98Å
244	V	98.7	Very high	96.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.2	177	179.2	0	0	0	0	109	F194 W199 I219 V254 V256	F194-V244 HydrophobicContact CE1-CG1 3.77Å; F194-V244 HydrophobicContact CZ-CG1 3.78Å; W199-V244 HydrophobicContact CE3-CG2 4.31Å; W199-V244 HydrophobicContact CH2-CG2 4.3Å; W199-V244 HydrophobicContact CZ3-CG2 3.63Å; I219-V244 HydrophobicContact CB-CB 4.04Å; I219-V244 HydrophobicContact CG2-CB 4.14Å; I219-V244 HydrophobicContact CG2-CG1 4.38Å; I219-V244 WeakPolarHBondContact O-CB 3.45Å; I219-V244 PolarHBondContact O-N 3.39Å; V244-V254 HydrophobicContact CG1-CB 3.92Å; V244-V254 HydrophobicContact CG1-CG1 4.07Å; V244-V256 HydrophobicContact CG2-CG1 4.43Å; V244-V256 HydrophobicContact CG2-CG2 4.16Å
245	V	98.4	Very high	96.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-17	-172.7	-70	0	0	0	0	114	L255 R257 V423 F451	V245-L255 HydrophobicContact CG2-CB 4.27Å; V245-L255 HydrophobicContact CG2-CD2 4.3Å; V245-L255 HydrophobicContact CG2-CG 3.92Å; V245-L255 WeakPolarHBondContact CG2-O 3.5Å; V245-L255 PolarHBondContact N-O 2.95Å; V245-R257 HydrophobicContact CG1-CG 3.8Å; V245-V423 HydrophobicContact CG2-CG1 3.74Å; V245-F451 HydrophobicContact CG1-CE2 3.57Å; V245-F451 HydrophobicContact CG1-CZ 3.66Å
246	W	98.6	Very high	97	Very high	10 Å²	10	25 Å²	25	4%	0.038	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	154.5	177	-171.9	87.8	0	0	0	111.3	L192 H248 V254 L255 I401 K427 L430 D431 Y434	L192-W246 HydrophobicContact CD1-CG 4.27Å; W246-H248 HydrophobicContact CH2-CB 3.72Å; W246-H248 AromaticContact CH2-CD2 3.65Å; W246-H248 AromaticContact CH2-CG 3.93Å; W246-H248 VanDerWaalsContact CZ3-CA 3.42Å; W246-H248 HydrophobicContact CZ3-CB 3.6Å; W246-V254 WeakPolarHBondContact O-CA 3.45Å; W246-L255 HydrophobicContact CB-CB 4.04Å; W246-L255 PolarHBondContact N-O 3.25Å; W246-L255 PolarHBondContact O-N 3.19Å; W246-I401 HydrophobicContact CE3-CG2 4.49Å; W246-I401 HydrophobicContact CH2-CG2 4.41Å; W246-I401 HydrophobicContact CZ3-CG2 3.62Å; W246-K427 HydrophobicContact CB-CD 4.41Å; W246-K427 HydrophobicContact CB-CG 4.2Å; W246-K427 HydrophobicContact CG-CG 4.36Å; W246-L430 HydrophobicContact CE3-CD1 4.11Å; W246-L430 HydrophobicContact CH2-CB 3.92Å; W246-L430 HydrophobicContact CH2-CD1 4.21Å; W246-L430 HydrophobicContact CH2-CD2 4.17Å; W246-L430 HydrophobicContact CH2-CG 4.32Å; W246-L430 HydrophobicContact CZ2-CB 3.83Å; W246-L430 HydrophobicContact CZ3-CB 4.47Å; W246-L430 HydrophobicContact CZ3-CD1 3.93Å; W246-L430 HydrophobicContact CZ3-CD2 4.45Å; W246-D431 HydrophobicContact CZ2-CB 4.19Å; W246-D431 PolarHBondContact NE1-OD2 2.97Å; W246-Y434 AromaticContact CD1-CE2 3.77Å
247	R	97.8	Very high	97.1	Very high	17 Å²	17	24.9 Å²	24.9	6%	0.064	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.7	177.8	174.2	-179.8	179.9	-76.9	-2.3	110.5	L192 Q193 F194 K249 V254	L192-R247 HydrophobicContact CB-CB 4.43Å; L192-R247 PolarHBondContact O-NH1 3.09Å; Q193-R247 PolarHBondContact O-NH1 3.49Å; F194-R247 HydrophobicContact CD1-CB 4.35Å; F194-R247 HydrophobicContact CD2-CB 4.45Å; F194-R247 HydrophobicContact CE1-CB 3.65Å; F194-R247 HydrophobicContact CE1-CG 4.29Å; F194-R247 HydrophobicContact CE2-CB 3.78Å; F194-R247 HydrophobicContact CZ-CB 3.34Å; F194-R247 HydrophobicContact CZ-CG 4.41Å; R247-K249 PolarHBondContact O-N 2.92Å; R247-V254 HydrophobicContact CB-CG1 4.03Å; R247-V254 HydrophobicContact CG-CG1 4.1Å
248	H	95.8	Very high	97.1	Very high	18 Å²	18	24.3 Å²	24.3	8%	0.083	12%	0.119	C	C	.	.			trans	-75.4	121	172.4	-160.6	-74.8	0	0	0	109.6	W246 T250 N251 G252 A253 I401 H402	W246-H248 HydrophobicContact CH2-CB 3.72Å; W246-H248 AromaticContact CH2-CD2 3.65Å; W246-H248 AromaticContact CH2-CG 3.93Å; W246-H248 VanDerWaalsContact CZ3-CA 3.42Å; W246-H248 HydrophobicContact CZ3-CB 3.6Å; H248-T250 VanDerWaalsContact C-N 3.32Å; H248-T250 PolarHBondContact CE1-OG1 2.86Å; H248-T250 PolarHBondContact ND1-OG1 2.9Å; H248-T250 PolarHBondContact O-N 3.24Å; H248-N251 WeakPolarHBondContact CB-OD1 3.38Å; H248-G252 VanDerWaalsContact O-CA 3.24Å; H248-G252 WeakPolarHBondContact O-CA 3.16Å; H248-G252 PolarHBondContact O-N 2.75Å; H248-A253 HydrophobicContact CB-CB 4.49Å; H248-A253 WeakPolarHBondContact CB-O 3.32Å; H248-A253 PolarHBondContact N-O 3.27Å; H248-I401 HydrophobicContact CB-CG2 4.01Å; H248-H402 AromaticContact CE1-ND1 3.88Å; H248-H402 AromaticContact NE2-CE1 3.96Å; H248-H402 AromaticContact NE2-ND1 3.03Å; H248-H402 PolarHBondContact NE2-ND1 3.09Å
249	K	93.3	Very high	97.2	Very high	83 Å²	83	20 Å²	20	36%	0.361	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-36.3	-171.3	-62.5	179.4	-164.8	166.8	0	113.1	R191 R247	R191-K249 WeakPolarHBondContact O-CE 3.34Å; R247-K249 PolarHBondContact O-N 2.92Å
250	T	90.9	Very high	97.2	Very high	123 Å²	123	14.6 Å²	14.6	76%	0.755	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-58	-175.4	62.9	0	0	0	0	113.8	H248	H248-T250 VanDerWaalsContact C-N 3.32Å; H248-T250 PolarHBondContact CE1-OG1 2.86Å; H248-T250 PolarHBondContact ND1-OG1 2.9Å; H248-T250 PolarHBondContact O-N 3.24Å
251	N	92	Very high	97.2	Very high	40 Å²	40	14.6 Å²	14.6	21%	0.214	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.9	-177.2	70.8	24.9	0	0	0	114.5	H248 A253 N300 I401	H248-N251 WeakPolarHBondContact CB-OD1 3.38Å; N251-A253 PolarHBondContact O-N 3.39Å; N251-A253 VanDerWaalsContact OD1-CB 3.22Å; N251-A253 WeakPolarHBondContact OD1-CB 3.33Å; N251-A253 PolarHBondContact OD1-N 3.47Å; N251-N300 PolarHBondContact O-ND2 3.13Å; N251-I401 PolarHBondContact ND2-O 3.17Å
252	G	94.4	Very high	97.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.093	C	C	.	.			trans	75.6	-4.3	176.6	0	0	0	0	0	116	H248	H248-G252 VanDerWaalsContact O-CA 3.24Å; H248-G252 WeakPolarHBondContact O-CA 3.16Å; H248-G252 PolarHBondContact O-N 2.75Å
253	A	96.8	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.			trans	-58.8	143.5	178.2	0	0	0	0	0	111.5	H248 N251 I401	H248-A253 HydrophobicContact CB-CB 4.49Å; H248-A253 WeakPolarHBondContact CB-O 3.32Å; H248-A253 PolarHBondContact N-O 3.27Å; N251-A253 PolarHBondContact O-N 3.39Å; N251-A253 VanDerWaalsContact OD1-CB 3.22Å; N251-A253 WeakPolarHBondContact OD1-CB 3.33Å; N251-A253 PolarHBondContact OD1-N 3.47Å; A253-I401 HydrophobicContact CB-CG2 4.11Å
254	V	98.5	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.6	-176	-63.2	0	0	0	0	112.9	F194 W199 V244 W246 R247 V256 I280 V284 S407 V408	F194-V254 HydrophobicContact CE1-CG1 4.36Å; W199-V254 HydrophobicContact CH2-CB 4.44Å; W199-V254 HydrophobicContact CH2-CG1 3.77Å; W199-V254 HydrophobicContact CH2-CG2 3.94Å; W199-V254 HydrophobicContact CZ2-CG1 3.63Å; V244-V254 HydrophobicContact CG1-CB 3.92Å; V244-V254 HydrophobicContact CG1-CG1 4.07Å; W246-V254 WeakPolarHBondContact O-CA 3.45Å; R247-V254 HydrophobicContact CB-CG1 4.03Å; R247-V254 HydrophobicContact CG-CG1 4.1Å; V254-V256 HydrophobicContact CB-CG2 4.49Å; V254-V256 HydrophobicContact CG2-CG2 3.74Å; V254-I280 HydrophobicContact CG2-CG2 3.83Å; V254-V284 HydrophobicContact CG1-CG2 4.21Å; V254-V284 HydrophobicContact CG2-CG2 3.99Å; V254-S407 PolarHBondContact N-OG 3.39Å; V254-S407 CarbonylContact O-C 2.85Å; V254-S407 VanDerWaalsContact O-CA 3.26Å; V254-S407 WeakPolarHBondContact O-CA 3.14Å; V254-S407 WeakPolarHBondContact O-CB 3.48Å; V254-V408 PolarHBondContact O-N 2.92Å
255	L	98.8	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.7	166.1	-177.9	55	0	0	0	109.2	V245 W246 V397 I401 V408 V410 V423 A426 K427	V245-L255 HydrophobicContact CG2-CB 4.27Å; V245-L255 HydrophobicContact CG2-CD2 4.3Å; V245-L255 HydrophobicContact CG2-CG 3.92Å; V245-L255 WeakPolarHBondContact CG2-O 3.5Å; V245-L255 PolarHBondContact N-O 2.95Å; W246-L255 HydrophobicContact CB-CB 4.04Å; W246-L255 PolarHBondContact N-O 3.25Å; W246-L255 PolarHBondContact O-N 3.19Å; L255-V397 HydrophobicContact CD1-CG1 3.59Å; L255-V397 HydrophobicContact CD2-CG1 4.37Å; L255-I401 HydrophobicContact CB-CD1 3.84Å; L255-I401 HydrophobicContact CD1-CD1 4.26Å; L255-V408 HydrophobicContact CD1-CB 4.25Å; L255-V408 HydrophobicContact CD1-CG1 4.48Å; L255-V410 HydrophobicContact CD1-CG2 4.03Å; L255-V423 HydrophobicContact CD2-CB 4.47Å; L255-V423 HydrophobicContact CD2-CG1 4.01Å; L255-A426 HydrophobicContact CD2-CB 4.24Å; L255-K427 HydrophobicContact CD2-CG 4.05Å
256	V	98.9	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.5	-175.5	-162.3	0	0	0	0	108.9	P242 A243 V244 V254 I280 V408 L409 V410	P242-V256 HydrophobicContact CB-CG1 3.78Å; A243-V256 WeakPolarHBondContact O-CA 3.17Å; A243-V256 WeakPolarHBondContact O-CG1 3.43Å; V244-V256 HydrophobicContact CG2-CG1 4.43Å; V244-V256 HydrophobicContact CG2-CG2 4.16Å; V254-V256 HydrophobicContact CB-CG2 4.49Å; V254-V256 HydrophobicContact CG2-CG2 3.74Å; V256-I280 HydrophobicContact CG1-CD1 4.04Å; V256-I280 HydrophobicContact CG2-CD1 4.33Å; V256-I280 HydrophobicContact CG2-CG2 4.31Å; V256-V408 PolarHBondContact N-O 3.41Å; V256-L409 HydrophobicContact CB-CB 4.35Å; V256-L409 HydrophobicContact CB-CD1 3.73Å; V256-L409 HydrophobicContact CG1-CD1 3.57Å; V256-L409 CarbonylContact O-C 3.45Å; V256-L409 WeakPolarHBondContact O-CA 3.47Å; V256-V410 PolarHBondContact O-N 3.32Å
257	R	98.8	Very high	94.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.6	174.7	65.6	-178.8	-64.3	171.5	-0.1	111.8	P242 A243 V245 V410 G415 T419 T420 V423 E447 F451	P242-R257 CarbonylContact C-O 3.6Å; P242-R257 WeakPolarHBondContact CA-O 3.4Å; A243-R257 HydrophobicContact CB-CG 4.37Å; A243-R257 PolarHBondContact N-O 2.81Å; A243-R257 PolarHBondContact O-N 3.38Å; V245-R257 HydrophobicContact CG1-CG 3.8Å; R257-V410 WeakPolarHBondContact CA-O 3.35Å; R257-G415 PolarHBondContact NH2-O 3.17Å; R257-T419 HydrophobicContact CB-CG2 3.94Å; R257-T420 PolarHBondContact NH2-OG1 3.37Å; R257-V423 HydrophobicContact CB-CG2 4.1Å; R257-E447 IonicContact CZ-OE2 2.81Å; R257-E447 PolarHBondContact NH1-O 2.73Å; R257-E447 IonicContact NH1-OE2 3.74Å; R257-E447 PolarHBondContact NH1-OE2 3.42Å; R257-F451 HydrophobicContact CG-CE1 4.36Å; R257-F451 HydrophobicContact CG-CZ 4.48Å; R257-F451 VanDerWaalsContact NH1-CB 3.34Å
258	S	98.7	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.			trans	-156.7	-178.7	173.5	68.9	0	0	0	0	112.3	R236 R240 V410 H411 G415	R236-S258 PolarHBondContact NH1-OG 2.74Å; R240-S258 WeakPolarHBondContact O-CB 3.43Å; S258-V410 PolarHBondContact N-O 3.35Å; S258-V410 VanDerWaalsContact N-O 3.16Å; S258-H411 WeakPolarHBondContact O-CA 3.36Å; S258-H411 WeakPolarHBondContact O-CB 2.95Å; S258-G415 WeakPolarHBondContact O-CA 3.22Å
259	S	98.5	Very high	94.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.216	C	C	.	.			trans	-88.5	174.8	156.7	64	0	0	0	0	111.6	R236 S237 R240 D414	R236-S259 PolarHBondContact NH1-O 2.98Å; S237-S259 PolarHBondContact N-OG 3.05Å; S237-S259 VanDerWaalsContact N-OG 3.11Å; S237-S259 WeakPolarHBondContact O-CB 3.34Å; S237-S259 PolarHBondContact O-OG 2.71Å; R240-S259 WeakPolarHBondContact CB-OG 3.42Å; R240-S259 PolarHBondContact O-N 2.83Å; R240-S259 PolarHBondContact O-OG 2.95Å; S259-D414 WeakPolarHBondContact CB-O 3.46Å
260	Q	98.1	Very high	94.4	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.056	20%	0.204	C	C	.	.			trans	-60.4	151.4	171.9	69.6	-172.2	-44.2	0	0	112.1	S237 G332 C412 S413	S237-Q260 PolarHBondContact N-O 3.45Å; Q260-G332 VanDerWaalsContact OE1-N 3.14Å; Q260-G332 PolarHBondContact OE1-O 2.99Å; Q260-C412 WeakPolarHBondContact CB-O 3.37Å; Q260-S413 VanDerWaalsContact CG-O 3.29Å; Q260-S413 WeakPolarHBondContact CG-O 3.41Å; Q260-S413 PolarHBondContact N-O 3.09Å
261	P	97.9	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-70.1	160.1	163.7	33.1	-35.2	0	0	0	110.9	Y235 P263 G331 G332 E334	Y235-P261 HydrophobicContact CD1-CB 3.88Å; Y235-P261 HydrophobicContact CE1-CB 3.39Å; Y235-P261 CarbonylContact O-C 3.54Å; Y235-P261 WeakPolarHBondContact O-CA 3.3Å; P261-P263 WeakPolarHBondContact O-CD 3.29Å; P261-G331 CarbonylContact O-C 3.54Å; P261-G331 VanDerWaalsContact O-C 3.31Å; P261-G332 PolarHBondContact O-N 3.46Å; P261-G332 VanDerWaalsContact O-N 3.07Å; P261-E334 HydrophobicContact CG-CG 4.24Å
262	E	96.3	Very high	94.9	Very high	77 Å²	77	42.2 Å²	42.2	36%	0.36	20%	0.197	S	C	.	.			trans	-115.6	60.5	178.2	-61.2	-167.5	150.5	0	0	111.4	Y235 S237 G264 G330	Y235-E262 PolarHBondContact O-N 3.46Å; S237-E262 VanDerWaalsContact CA-OE1 3.26Å; S237-E262 WeakPolarHBondContact CA-OE1 3.32Å; S237-E262 WeakPolarHBondContact CB-OE1 3.47Å; S237-E262 PolarHBondContact OG-OE1 3.16Å; E262-G264 PolarHBondContact O-N 3.39Å; E262-G330 CarbonylContact C-O 3.59Å; E262-G330 WeakPolarHBondContact CA-O 3.29Å; E262-G330 WeakPolarHBondContact CB-O 3.45Å
263	P	93.8	Very high	95.1	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.032	20%	0.197	C	C	.	.			trans	-63	-19.1	172.2	27.4	-34.8	0	0	0	112.5	Y235 P261 G267 W268 G331	Y235-P263 HydrophobicContact CE2-CB 4.45Å; Y235-P263 WeakPolarHBondContact OH-CB 3.42Å; P261-P263 WeakPolarHBondContact O-CD 3.29Å; P263-G267 CarbonylContact O-C 3.59Å; P263-G267 PolarHBondContact O-N 2.78Å; P263-W268 WeakPolarHBondContact CA-O 3.4Å; P263-W268 WeakPolarHBondContact CB-O 3.46Å; P263-W268 PolarHBondContact O-N 3Å; P263-G331 WeakPolarHBondContact CD-O 3.38Å
264	G	89.2	Confident	95.1	Very high	10 Å²	10	43 Å²	43	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-168.8	-174.5	0	0	0	0	0	113.9	E262 F266 G267 R327 G330 G331	E262-G264 PolarHBondContact O-N 3.39Å; G264-F266 VanDerWaalsContact C-N 3.32Å; G264-F266 PolarHBondContact O-N 3.03Å; G264-G267 PolarHBondContact O-N 2.8Å; G264-R327 CarbonylContact C-O 3.57Å; G264-R327 VanDerWaalsContact O-CG 3.27Å; G264-R327 WeakPolarHBondContact O-CG 3.46Å; G264-R327 PolarHBondContact O-NE 3.4Å; G264-G330 VanDerWaalsContact CA-O 3.31Å; G264-G330 WeakPolarHBondContact CA-O 3.28Å; G264-G330 PolarHBondContact N-O 3.32Å; G264-G331 PolarHBondContact N-O 3.34Å
265	F	85.8	Confident	95	Very high	138 Å²	138	47.1 Å²	47.1	61%	0.605	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-42.4	-174.8	-170.5	-97.4	0	0	0	112.3	G267 R327	F265-G267 VanDerWaalsContact C-N 3.29Å; F265-G267 PolarHBondContact O-N 2.97Å; F265-R327 PolarHBondContact N-O 2.64Å
266	F	87.5	Confident	95	Very high	156 Å²	156	47.3 Å²	47.3	68%	0.684	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7	-177	-64.5	-69.5	0	0	0	114.5	G264 W268	G264-F266 VanDerWaalsContact C-N 3.32Å; G264-F266 PolarHBondContact O-N 3.03Å; F266-W268 HydrophobicContact CB-CD2 4.3Å; F266-W268 HydrophobicContact CB-CZ2 3.94Å; F266-W268 HydrophobicContact CD2-CZ2 4.05Å; F266-W268 AromaticContact CD2-NE1 3.96Å; F266-W268 HydrophobicContact CG-CZ2 4.17Å
267	G	87.2	Confident	95	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	35.4	179.8	0	0	0	0	0	113.9	P263 G264 F265	P263-G267 CarbonylContact O-C 3.59Å; P263-G267 PolarHBondContact O-N 2.78Å; G264-G267 PolarHBondContact O-N 2.8Å; F265-G267 VanDerWaalsContact C-N 3.29Å; F265-G267 PolarHBondContact O-N 2.97Å
268	W	90.6	Very high	94.8	Very high	173 Å²	173	50.2 Å²	50.2	66%	0.655	24%	0.237	S	C	*	.			trans	-56.2	140.1	179.1	-60	118.4	0	0	0	111.2	Y235 P263 F266	Y235-W268 WeakPolarHBondContact CE2-O 3.33Å; Y235-W268 PolarHBondContact OH-O 3.41Å; P263-W268 WeakPolarHBondContact CA-O 3.4Å; P263-W268 WeakPolarHBondContact CB-O 3.46Å; P263-W268 PolarHBondContact O-N 3Å; F266-W268 HydrophobicContact CB-CD2 4.3Å; F266-W268 HydrophobicContact CB-CZ2 3.94Å; F266-W268 HydrophobicContact CD2-CZ2 4.05Å; F266-W268 AromaticContact CD2-NE1 3.96Å; F266-W268 HydrophobicContact CG-CZ2 4.17Å
269	R	93.8	Very high	94.8	Very high	140 Å²	140	51.3 Å²	51.3	53%	0.528	25%	0.245	S	C	.	.			trans	-95.9	155.1	179.5	-64.9	-177.9	59.8	-165.7	-3.7	110.7	E274 Y338	R269-E274 IonicContact CZ-OE1 3.86Å; R269-E274 IonicContact CZ-OE2 3.75Å; R269-E274 IonicContact NE-OE1 3.2Å; R269-E274 PolarHBondContact NE-OE1 3.24Å; R269-E274 VanDerWaalsContact NE-OE1 3.1Å; R269-E274 IonicContact NH2-OE1 2.72Å; R269-E274 PolarHBondContact NH2-OE1 2.85Å; R269-E274 IonicContact NH2-OE2 3.98Å; R269-E274 PolarHBondContact NH2-OE2 3.05Å; R269-Y338 HydrophobicContact CG-CD2 3.86Å; R269-Y338 HydrophobicContact CG-CE2 3.8Å; R269-Y338 HydrophobicContact CG-CG 4.34Å
270	S	95.8	Very high	94.7	Very high	16 Å²	16	51.4 Å²	51.4	11%	0.112	25%	0.245	C	C	.	.			trans	-132.1	103.7	173.5	177.8	0	0	0	0	109.6	Y235 A272 D273 E274	Y235-S270 VanDerWaalsContact CD1-CB 3.47Å; S270-A272 PolarHBondContact O-N 2.78Å; S270-D273 PolarHBondContact O-N 3.25Å; S270-D273 PolarHBondContact OG-N 2.88Å; S270-E274 VanDerWaalsContact O-CG 3.3Å; S270-E274 WeakPolarHBondContact O-CG 3.26Å; S270-E274 PolarHBondContact O-N 3.49Å
271	L	96.1	Very high	94.6	Very high	115 Å²	115	51.1 Å²	51.1	60%	0.602	24%	0.244	S	C	*	.	H	α-helix	trans	-61.6	-30.9	175.2	-173.5	61.8	0	0	0	111.4	N275	L271-N275 WeakPolarHBondContact O-CB 3.49Å; L271-N275 PolarHBondContact O-N 3.3Å; L271-N275 PolarHBondContact O-ND2 3.09Å
272	A	97.1	Very high	94.5	Very high	27 Å²	27	56 Å²	56	22%	0.223	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-44.3	175.7	0	0	0	0	0	111.9	M231 S270 F276	M231-A272 HydrophobicContact CB-CB 3.72Å; S270-A272 PolarHBondContact O-N 2.78Å; A272-F276 WeakPolarHBondContact O-CB 3.38Å; A272-F276 PolarHBondContact O-N 3.15Å
273	D	97.9	Very high	94.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69.3	-43.8	177.3	-164.5	82.7	0	0	0	111.9	C232 Y235 R236 S270 N275 F276 L277 Y339	C232-D273 PolarHBondContact SG-OD1 3.12Å; Y235-D273 HydrophobicContact CD1-CB 3.69Å; Y235-D273 HydrophobicContact CE1-CB 4.25Å; R236-D273 IonicContact CZ-OD1 3.77Å; R236-D273 IonicContact CZ-OD2 3.68Å; R236-D273 IonicContact NE-OD1 3.03Å; R236-D273 PolarHBondContact NE-OD1 3.18Å; R236-D273 IonicContact NE-OD2 3.04Å; R236-D273 IonicContact NH2-OD1 3.61Å; R236-D273 PolarHBondContact NH2-OD1 3.4Å; R236-D273 IonicContact NH2-OD2 2.75Å; R236-D273 PolarHBondContact NH2-OD2 3.01Å; S270-D273 PolarHBondContact O-N 3.25Å; S270-D273 PolarHBondContact OG-N 2.88Å; D273-N275 PolarHBondContact O-N 3.46Å; D273-F276 WeakPolarHBondContact O-CB 3.43Å; D273-F276 PolarHBondContact O-N 2.57Å; D273-L277 PolarHBondContact O-N 2.93Å; D273-L277 VanDerWaalsContact O-N 3.1Å; D273-Y339 PolarHBondContact OD2-OH 2.97Å
274	E	97.6	Very high	94.5	Very high	18 Å²	18	52.7 Å²	52.7	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-55.7	-49.5	174.8	-69.2	171	-155.9	0	0	110.6	R269 S270 F276 L277 Q278 Y339	R269-E274 IonicContact CZ-OE1 3.86Å; R269-E274 IonicContact CZ-OE2 3.75Å; R269-E274 IonicContact NE-OE1 3.2Å; R269-E274 PolarHBondContact NE-OE1 3.24Å; R269-E274 VanDerWaalsContact NE-OE1 3.1Å; R269-E274 IonicContact NH2-OE1 2.72Å; R269-E274 PolarHBondContact NH2-OE1 2.85Å; R269-E274 IonicContact NH2-OE2 3.98Å; R269-E274 PolarHBondContact NH2-OE2 3.05Å; S270-E274 VanDerWaalsContact O-CG 3.3Å; S270-E274 WeakPolarHBondContact O-CG 3.26Å; S270-E274 PolarHBondContact O-N 3.49Å; E274-F276 PolarHBondContact O-N 3.5Å; E274-L277 PolarHBondContact O-N 3.1Å; E274-Q278 WeakPolarHBondContact O-CG 3.45Å; E274-Q278 PolarHBondContact O-N 3.48Å; E274-Y339 HydrophobicContact CG-CE1 4.05Å; E274-Y339 HydrophobicContact CG-CE2 4.4Å
275	N	97.5	Very high	94.4	Very high	86 Å²	86	55.5 Å²	55.5	46%	0.46	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-33.1	178.1	-72.8	-13.5	0	0	0	113.2	L271 D273 Q278 S279	L271-N275 WeakPolarHBondContact O-CB 3.49Å; L271-N275 PolarHBondContact O-N 3.3Å; L271-N275 PolarHBondContact O-ND2 3.09Å; D273-N275 PolarHBondContact O-N 3.46Å; N275-Q278 PolarHBondContact O-N 3.08Å; N275-S279 WeakPolarHBondContact O-CB 3.35Å; N275-S279 PolarHBondContact O-N 3.09Å; N275-S279 PolarHBondContact O-OG 3.45Å
276	F	98.2	Very high	94	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-49.6	175.9	-161.2	-63.6	0	0	0	110.4	V220 V224 I229 C232 P242 A272 D273 E274 Q278 S279 I280	V220-F276 HydrophobicContact CB-CZ 4.48Å; V220-F276 HydrophobicContact CG1-CZ 4.03Å; V224-F276 HydrophobicContact CG1-CD2 3.85Å; V224-F276 HydrophobicContact CG1-CE2 3.5Å; V224-F276 HydrophobicContact CG1-CZ 4Å; V224-F276 HydrophobicContact CG2-CD2 4.49Å; I229-F276 HydrophobicContact CG1-CE2 3.94Å; C232-F276 HydrophobicContact CB-CD2 3.76Å; C232-F276 HydrophobicContact CB-CE2 4.37Å; C232-F276 HydrophobicContact CB-CG 4.49Å; P242-F276 HydrophobicContact CB-CD1 4.13Å; P242-F276 HydrophobicContact CB-CE1 3.88Å; P242-F276 HydrophobicContact CG-CD1 4.22Å; P242-F276 HydrophobicContact CG-CE1 4.37Å; A272-F276 WeakPolarHBondContact O-CB 3.38Å; A272-F276 PolarHBondContact O-N 3.15Å; D273-F276 WeakPolarHBondContact O-CB 3.43Å; D273-F276 PolarHBondContact O-N 2.57Å; E274-F276 PolarHBondContact O-N 3.5Å; F276-Q278 VanDerWaalsContact C-N 3.34Å; F276-Q278 PolarHBondContact O-N 2.97Å; F276-S279 WeakPolarHBondContact O-CB 3.49Å; F276-S279 PolarHBondContact O-N 3.37Å; F276-S279 VanDerWaalsContact O-N 3.12Å; F276-I280 HydrophobicContact CD1-CD1 4.14Å; F276-I280 HydrophobicContact CD1-CG1 4.4Å; F276-I280 HydrophobicContact CE1-CD1 4.16Å; F276-I280 HydrophobicContact CE1-CG1 4.46Å; F276-I280 PolarHBondContact O-N 3.35Å
277	L	97.9	Very high	93.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-35.5	178.3	-62.3	-167.7	0	0	0	112.2	P242 D273 E274 S279 I280 I281 L312 I314 Y339 L409	P242-L277 HydrophobicContact CB-CD2 4.12Å; P242-L277 HydrophobicContact CG-CD2 3.68Å; D273-L277 PolarHBondContact O-N 2.93Å; D273-L277 VanDerWaalsContact O-N 3.1Å; E274-L277 PolarHBondContact O-N 3.1Å; L277-S279 VanDerWaalsContact C-N 3.3Å; L277-S279 PolarHBondContact O-N 2.92Å; L277-I280 HydrophobicContact CD2-CD1 4.05Å; L277-I280 PolarHBondContact O-N 2.9Å; L277-I281 PolarHBondContact O-N 2.68Å; L277-L312 HydrophobicContact CB-CD2 4.08Å; L277-L312 HydrophobicContact CD1-CD2 4.4Å; L277-L312 HydrophobicContact CD2-CD2 4.42Å; L277-I314 HydrophobicContact CD1-CD1 4Å; L277-Y339 HydrophobicContact CD1-CD1 3.74Å; L277-Y339 HydrophobicContact CD1-CE1 3.69Å; L277-Y339 HydrophobicContact CG-CE1 4.45Å; L277-L409 HydrophobicContact CD1-CD2 4.11Å; L277-L409 HydrophobicContact CD2-CD2 4Å
278	Q	96	Very high	91.6	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-36.7	171.2	-69.4	-56	-40.4	0	0	112.5	E274 N275 F276 I280 I281 K282	E274-Q278 WeakPolarHBondContact O-CG 3.45Å; E274-Q278 PolarHBondContact O-N 3.48Å; N275-Q278 PolarHBondContact O-N 3.08Å; F276-Q278 VanDerWaalsContact C-N 3.34Å; F276-Q278 PolarHBondContact O-N 2.97Å; Q278-I280 VanDerWaalsContact C-N 3.31Å; Q278-I280 PolarHBondContact O-N 2.79Å; Q278-I281 PolarHBondContact O-N 3.49Å; Q278-K282 WeakPolarHBondContact O-CB 3.48Å; Q278-K282 PolarHBondContact O-N 2.77Å
279	S	97.6	Very high	89.7	Confident	24 Å²	24	48.2 Å²	48.2	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-33.1	177.2	-60.7	0	0	0	0	112.4	N275 F276 L277 A283	N275-S279 WeakPolarHBondContact O-CB 3.35Å; N275-S279 PolarHBondContact O-N 3.09Å; N275-S279 PolarHBondContact O-OG 3.45Å; F276-S279 WeakPolarHBondContact O-CB 3.49Å; F276-S279 PolarHBondContact O-N 3.37Å; F276-S279 VanDerWaalsContact O-N 3.12Å; L277-S279 VanDerWaalsContact C-N 3.3Å; L277-S279 PolarHBondContact O-N 2.92Å; S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.32Å; S279-A283 PolarHBondContact O-N 2.69Å
280	I	97.8	Very high	87.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-48.3	172.2	-64.7	174.3	0	0	0	110.2	W199 P221 P242 V254 V256 F276 L277 Q278 K282 A283 V284	W199-I280 HydrophobicContact CH2-CG2 4.31Å; P221-I280 HydrophobicContact CG-CB 4.42Å; P221-I280 HydrophobicContact CG-CG1 3.73Å; P242-I280 HydrophobicContact CB-CD1 4.13Å; V254-I280 HydrophobicContact CG2-CG2 3.83Å; V256-I280 HydrophobicContact CG1-CD1 4.04Å; V256-I280 HydrophobicContact CG2-CD1 4.33Å; V256-I280 HydrophobicContact CG2-CG2 4.31Å; F276-I280 HydrophobicContact CD1-CD1 4.14Å; F276-I280 HydrophobicContact CD1-CG1 4.4Å; F276-I280 HydrophobicContact CE1-CD1 4.16Å; F276-I280 HydrophobicContact CE1-CG1 4.46Å; F276-I280 PolarHBondContact O-N 3.35Å; L277-I280 HydrophobicContact CD2-CD1 4.05Å; L277-I280 PolarHBondContact O-N 2.9Å; Q278-I280 VanDerWaalsContact C-N 3.31Å; Q278-I280 PolarHBondContact O-N 2.79Å; I280-K282 VanDerWaalsContact C-N 3.32Å; I280-K282 PolarHBondContact O-N 3.4Å; I280-A283 PolarHBondContact O-N 2.62Å; I280-V284 WeakPolarHBondContact O-CG2 3.36Å; I280-V284 PolarHBondContact O-N 3.3Å; I280-V284 VanDerWaalsContact O-N 3.13Å
281	I	95.9	Very high	84.8	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-47.1	178.2	-66.5	166.5	0	0	0	110.5	L277 Q278 V284 S285 P311 L312 R341	L277-I281 PolarHBondContact O-N 2.68Å; Q278-I281 PolarHBondContact O-N 3.49Å; I281-V284 PolarHBondContact O-N 3.45Å; I281-S285 PolarHBondContact O-N 2.88Å; I281-S285 VanDerWaalsContact O-N 3.13Å; I281-S285 PolarHBondContact O-OG 3.39Å; I281-P311 HydrophobicContact CB-CG 4.37Å; I281-P311 HydrophobicContact CD1-CG 4.05Å; I281-P311 HydrophobicContact CG1-CG 4.03Å; I281-P311 HydrophobicContact CG2-CB 4.13Å; I281-P311 HydrophobicContact CG2-CG 3.44Å; I281-P311 VanDerWaalsContact CG2-CG 3.44Å; I281-L312 HydrophobicContact CD1-CB 3.93Å; I281-L312 HydrophobicContact CD1-CD2 4.38Å; I281-L312 HydrophobicContact CG1-CB 3.89Å; I281-L312 HydrophobicContact CG1-CD2 4.34Å; I281-R341 HydrophobicContact CD1-CB 3.73Å
282	K	94.5	Very high	82.2	Confident	102 Å²	102	53.5 Å²	53.5	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-45.1	178.8	-176.3	179.4	173.2	-177.7	0	112.4	Q278 I280 V284 S285 E286	Q278-K282 WeakPolarHBondContact O-CB 3.48Å; Q278-K282 PolarHBondContact O-N 2.77Å; I280-K282 VanDerWaalsContact C-N 3.32Å; I280-K282 PolarHBondContact O-N 3.4Å; K282-V284 PolarHBondContact O-N 3.3Å; K282-S285 WeakPolarHBondContact CA-OG 3.09Å; K282-S285 PolarHBondContact O-N 2.96Å; K282-S285 VanDerWaalsContact O-N 3.13Å; K282-S285 PolarHBondContact O-OG 3.44Å; K282-E286 WeakPolarHBondContact CE-OE1 3.46Å; K282-E286 WeakPolarHBondContact CE-OE2 3.5Å; K282-E286 HydrophobicContact CG-CG 4.23Å; K282-E286 IonicContact NZ-OE1 3.78Å; K282-E286 WeakPolarHBondContact O-CG 3.41Å; K282-E286 PolarHBondContact O-N 3.17Å
283	A	95.6	Very high	79.4	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-30.8	179.1	0	0	0	0	0	112.9	W199 P221 S279 I280 Q287	W199-A283 HydrophobicContact CD2-CB 4.42Å; W199-A283 HydrophobicContact CH2-CB 3.92Å; W199-A283 HydrophobicContact CZ2-CB 3.83Å; W199-A283 HydrophobicContact CZ3-CB 4.24Å; P221-A283 HydrophobicContact CB-CB 4.04Å; P221-A283 HydrophobicContact CG-CB 4.41Å; S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.32Å; S279-A283 PolarHBondContact O-N 2.69Å; I280-A283 PolarHBondContact O-N 2.62Å; A283-Q287 PolarHBondContact O-NE2 3.1Å
284	V	94.2	Very high	76.6	Confident	9 Å²	9	62.4 Å²	62.4	6%	0.055	36%	0.363	C	S	.	.	H	α-helix	trans	-75.1	-34	174.5	174	0	0	0	0	112	W199 V254 I280 I281 K282 Q287	W199-V284 HydrophobicContact CH2-CG2 4.02Å; W199-V284 HydrophobicContact CZ2-CG2 3.72Å; V254-V284 HydrophobicContact CG1-CG2 4.21Å; V254-V284 HydrophobicContact CG2-CG2 3.99Å; I280-V284 WeakPolarHBondContact O-CG2 3.36Å; I280-V284 PolarHBondContact O-N 3.3Å; I280-V284 VanDerWaalsContact O-N 3.13Å; I281-V284 PolarHBondContact O-N 3.45Å; K282-V284 PolarHBondContact O-N 3.3Å; V284-Q287 WeakPolarHBondContact O-CG 3.33Å
285	S	87	Confident	73.5	Confident	68 Å²	68	67.9 Å²	67.9	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-78.3	-29.4	178.6	56	0	0	0	0	114.3	I281 K282 Q287	I281-S285 PolarHBondContact O-N 2.88Å; I281-S285 VanDerWaalsContact O-N 3.13Å; I281-S285 PolarHBondContact O-OG 3.39Å; K282-S285 WeakPolarHBondContact CA-OG 3.09Å; K282-S285 PolarHBondContact O-N 2.96Å; K282-S285 VanDerWaalsContact O-N 3.13Å; K282-S285 PolarHBondContact O-OG 3.44Å; S285-Q287 PolarHBondContact O-N 3.23Å; S285-Q287 VanDerWaalsContact O-N 3.12Å
286	E	79.1	Confident	70.7	Confident	104 Å²	104	69.9 Å²	69.9	49%	0.486	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	24	-176.8	-69.6	180	152.3	0	0	114.1	K282	K282-E286 WeakPolarHBondContact CE-OE1 3.46Å; K282-E286 WeakPolarHBondContact CE-OE2 3.5Å; K282-E286 HydrophobicContact CG-CG 4.23Å; K282-E286 IonicContact NZ-OE1 3.78Å; K282-E286 WeakPolarHBondContact O-CG 3.41Å; K282-E286 PolarHBondContact O-N 3.17Å
287	Q	67.3	Low	68.1	Low	34 Å²	34	77.2 Å²	77.2	16%	0.159	44%	0.442	C	S	.	.			trans	-75.7	136.8	-177.6	-61.8	-69.8	-56.7	0	0	110.4	S198 A283 V284 S285 N289	S198-Q287 PolarHBondContact OG-NE2 2.85Å; A283-Q287 PolarHBondContact O-NE2 3.1Å; V284-Q287 WeakPolarHBondContact O-CG 3.33Å; S285-Q287 PolarHBondContact O-N 3.23Å; S285-Q287 VanDerWaalsContact O-N 3.12Å; Q287-N289 PolarHBondContact O-N 2.86Å
288	P	55.2	Low	65.7	Low	94 Å²	94	79.8 Å²	79.8	61%	0.61	46%	0.463	S	S	*	.			trans	-65	107.1	174.4	24.8	-30.2	0	0	0	108.9	N290	P288-N290 PolarHBondContact O-N 2.86Å
289	N	50.8	Low	63.8	Low	99 Å²	99	83 Å²	83	53%	0.529	48%	0.478	S	S	.	.			trans	-62.1	121.6	167.3	-81.3	-16.4	0	0	0	107.6	Q287 N291	Q287-N289 PolarHBondContact O-N 2.86Å; N289-N291 WeakPolarHBondContact CB-O 3.33Å; N289-N291 PolarHBondContact O-N 2.9Å
290	N	46.1	Very low	62.3	Low	167 Å²	167	83.6 Å²	83.6	89%	0.893	48%	0.479	S	S	*	.	S	Bend	trans	-60.7	-12.9	170.6	-86.6	-14.6	0	0	0	112.6	P288	P288-N290 PolarHBondContact O-N 2.86Å
291	N	41.7	Very low	60.8	Low	130 Å²	130	84.4 Å²	84.4	70%	0.695	49%	0.488	S	S	*	.	S	Bend	trans	-97	110.6	169.3	-65.1	-12.7	0	0	0	107.6	N289 D293	N289-N291 WeakPolarHBondContact CB-O 3.33Å; N289-N291 PolarHBondContact O-N 2.9Å; N291-D293 PolarHBondContact O-N 3.18Å
292	G	40.9	Very low	59.8	Low	85 Å²	85	87.8 Å²	87.8	88%	0.876	51%	0.506	S	S	*	.			trans	-65.4	37.2	-176.5	0	0	0	0	0	116.2	S294	G292-S294 PolarHBondContact O-N 2.95Å
293	D	39.3	Very low	58.7	Low	109 Å²	109	87 Å²	87	58%	0.583	51%	0.509	S	S	*	.			trans	-94.6	83.2	170.9	-160.8	16.5	0	0	0	109.3	N291 T295	N291-D293 PolarHBondContact O-N 3.18Å; D293-T295 PolarHBondContact O-N 2.86Å; D293-T295 VanDerWaalsContact O-N 3.15Å
294	S	37.8	Very low	57.2	Low	105 Å²	105	88.3 Å²	88.3	73%	0.734	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	98.3	171.8	53.9	0	0	0	0	108.9	G292	G292-S294 PolarHBondContact O-N 2.95Å
295	T	33.8	Very low	55.7	Low	133 Å²	133	96.5 Å²	96.5	82%	0.816	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.5	-5.7	146.4	38.8	0	0	0	0	115.6	D293 E297	D293-T295 PolarHBondContact O-N 2.86Å; D293-T295 VanDerWaalsContact O-N 3.15Å; T295-E297 PolarHBondContact O-N 3.37Å
296	I	37.8	Very low	54.7	Low	129 Å²	129	97.8 Å²	97.8	66%	0.662	56%	0.563	S	S	*	*			trans	-94.6	102.7	171	-53.7	178.1	0	0	0	107.2	A298	I296-A298 PolarHBondContact O-N 3.01Å
297	E	43.5	Very low	54.2	Low	157 Å²	157	95.8 Å²	95.8	73%	0.734	57%	0.57	S	S	*	*			trans	-49.1	112	161.6	-68.8	-174.5	179.3	0	0	105.8	T295 E299	T295-E297 PolarHBondContact O-N 3.37Å; E297-E299 PolarHBondContact O-N 2.87Å
298	A	48.6	Very low	54.3	Low	55 Å²	55	100 Å²	100	46%	0.455	59%	0.589	S	S	.	*			trans	-60.2	100.2	171.2	0	0	0	0	0	105.3	I296 N300	I296-A298 PolarHBondContact O-N 3.01Å; A298-N300 PolarHBondContact O-N 2.87Å
299	E	56.2	Low	55.7	Low	126 Å²	126	96.5 Å²	96.5	59%	0.589	57%	0.566	S	S	*	*			trans	-69.4	81.1	179.3	-76.3	-163	154.2	0	0	107.5	E297 G301	E297-E299 PolarHBondContact O-N 2.87Å; E299-G301 PolarHBondContact O-N 2.97Å
300	N	64.5	Low	57.4	Low	37 Å²	37	94.4 Å²	94.4	20%	0.198	55%	0.552	C	S	.	*			trans	-64.5	121.9	172.4	-82.2	-6.5	0	0	0	107.9	N251 A298 P311 G405	N251-N300 PolarHBondContact O-ND2 3.13Å; A298-N300 PolarHBondContact O-N 2.87Å; N300-P311 WeakPolarHBondContact O-CA 3.38Å; N300-P311 VanDerWaalsContact O-CB 3.29Å; N300-P311 WeakPolarHBondContact O-CB 3.42Å; N300-G405 WeakPolarHBondContact CB-O 3.19Å
301	G	66.8	Low	59.7	Low	18 Å²	18	87 Å²	87	19%	0.186	51%	0.513	C	S	.	.	S	Bend	trans	107.4	176	173.1	0	0	0	0	0	116.4	E299	E299-G301 PolarHBondContact O-N 2.97Å
302	I	74.8	Confident	62.3	Low	79 Å²	79	80.8 Å²	80.8	41%	0.405	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.7	-171.6	-54.3	178.9	0	0	0	109.1	S304 K310 E404	I302-S304 PolarHBondContact O-N 3Å; I302-K310 PolarHBondContact O-N 3.34Å; I302-E404 HydrophobicContact CD1-CG 4.19Å; I302-E404 HydrophobicContact CG1-CB 4.43Å
303	T	72.1	Confident	65	Low	84 Å²	84	76.7 Å²	76.7	52%	0.515	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.2	167.5	51	0	0	0	0	109.2
304	S	63.4	Low	67.8	Low	33 Å²	33	71.5 Å²	71.5	23%	0.231	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-75.3	167.2	173.4	39.7	0	0	0	0	112.3	I302 D306 G307 K308	I302-S304 PolarHBondContact O-N 3Å; S304-D306 WeakPolarHBondContact CB-OD1 3.11Å; S304-D306 PolarHBondContact O-N 2.88Å; S304-D306 PolarHBondContact OG-OD1 3.1Å; S304-G307 WeakPolarHBondContact O-CA 3.33Å; S304-G307 PolarHBondContact O-N 3.29Å; S304-K308 PolarHBondContact N-O 3.38Å; S304-K308 PolarHBondContact OG-O 3.19Å
305	D	63.7	Low	70.7	Confident	181 Å²	181	66.5 Å²	66.5	97%	0.968	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-24.5	179	-70.4	-13.5	0	0	0	114.1	G307	D305-G307 PolarHBondContact O-N 3.05Å
306	D	65.8	Low	73.8	Confident	94 Å²	94	60.2 Å²	60.2	50%	0.503	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	8.3	175.6	70.7	-22.1	0	0	0	113.9	S304 K308	S304-D306 WeakPolarHBondContact CB-OD1 3.11Å; S304-D306 PolarHBondContact O-N 2.88Å; S304-D306 PolarHBondContact OG-OD1 3.1Å; D306-K308 VanDerWaalsContact C-N 3.28Å; D306-K308 PolarHBondContact O-N 2.97Å; D306-K308 PolarHBondContact OD1-N 2.75Å; D306-K308 WeakPolarHBondContact OD2-CD 3.17Å; D306-K308 IonicContact OD2-NZ 3.8Å
307	G	67.6	Low	76.7	Confident	62 Å²	62	54 Å²	54	64%	0.639	31%	0.305	S	S	*	.	S	Bend	trans	75.2	9.1	178.9	0	0	0	0	0	114.6	S304 D305	S304-G307 WeakPolarHBondContact O-CA 3.33Å; S304-G307 PolarHBondContact O-N 3.29Å; D305-G307 PolarHBondContact O-N 3.05Å
308	K	70.9	Confident	79.3	Confident	124 Å²	124	46.6 Å²	46.6	54%	0.539	27%	0.27	S	S	.	.			trans	-101.5	134.2	-177.2	-63.9	179.5	-168.8	152.1	0	111.5	S304 D306	S304-K308 PolarHBondContact N-O 3.38Å; S304-K308 PolarHBondContact OG-O 3.19Å; D306-K308 VanDerWaalsContact C-N 3.28Å; D306-K308 PolarHBondContact O-N 2.97Å; D306-K308 PolarHBondContact OD1-N 2.75Å; D306-K308 WeakPolarHBondContact OD2-CD 3.17Å; D306-K308 IonicContact OD2-NZ 3.8Å
309	S	83.2	Confident	81.7	Confident	20 Å²	20	45.9 Å²	45.9	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.7	173.2	59.5	0	0	0	0	111.3	P311	S309-P311 WeakPolarHBondContact O-CD 3.28Å
310	K	87.5	Confident	83.6	Confident	54 Å²	54	45.8 Å²	45.8	24%	0.235	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	78	172.2	-67	-171.6	-177.6	-179	0	110.8	I302 L312 E343 R406	I302-K310 PolarHBondContact O-N 3.34Å; K310-L312 VanDerWaalsContact C-N 3.27Å; K310-L312 PolarHBondContact O-N 2.78Å; K310-E343 HydrophobicContact CB-CB 4.47Å; K310-E343 HydrophobicContact CD-CB 3.91Å; K310-E343 HydrophobicContact CD-CG 4.49Å; K310-R406 WeakPolarHBondContact O-CD 3.44Å
311	P	93.5	Very high	85.1	Confident	11 Å²	11	48.9 Å²	48.9	7%	0.071	28%	0.278	C	S	.	.			trans	-66.9	-21.2	-175.3	24.7	-35.8	0	0	0	114.7	I281 N300 S309 R341 R406 S407	I281-P311 HydrophobicContact CB-CG 4.37Å; I281-P311 HydrophobicContact CD1-CG 4.05Å; I281-P311 HydrophobicContact CG1-CG 4.03Å; I281-P311 HydrophobicContact CG2-CB 4.13Å; I281-P311 HydrophobicContact CG2-CG 3.44Å; I281-P311 VanDerWaalsContact CG2-CG 3.44Å; N300-P311 WeakPolarHBondContact O-CA 3.38Å; N300-P311 VanDerWaalsContact O-CB 3.29Å; N300-P311 WeakPolarHBondContact O-CB 3.42Å; S309-P311 WeakPolarHBondContact O-CD 3.28Å; P311-R341 WeakPolarHBondContact CD-O 3.4Å; P311-R341 HydrophobicContact CG-CB 4.44Å; P311-R406 WeakPolarHBondContact O-CA 3.37Å; P311-S407 PolarHBondContact O-N 2.91Å
312	L	96.7	Very high	86.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.6	-178.2	-178.4	58.8	0	0	0	111	L277 I281 K310 C342 E343 S407 L409	L277-L312 HydrophobicContact CB-CD2 4.08Å; L277-L312 HydrophobicContact CD1-CD2 4.4Å; L277-L312 HydrophobicContact CD2-CD2 4.42Å; I281-L312 HydrophobicContact CD1-CB 3.93Å; I281-L312 HydrophobicContact CD1-CD2 4.38Å; I281-L312 HydrophobicContact CG1-CB 3.89Å; I281-L312 HydrophobicContact CG1-CD2 4.34Å; K310-L312 VanDerWaalsContact C-N 3.27Å; K310-L312 PolarHBondContact O-N 2.78Å; L312-C342 CarbonylContact O-C 3.53Å; L312-C342 WeakPolarHBondContact O-CA 3.49Å; L312-E343 PolarHBondContact O-N 2.89Å; L312-S407 WeakPolarHBondContact CA-O 3.18Å; L312-S407 WeakPolarHBondContact CD1-O 3.4Å; L312-L409 HydrophobicContact CD1-CB 4.29Å
313	L	98	Very high	87.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.9	171.7	176.2	65.5	0	0	0	109.8	L315 E343 Q345 A400 S407 V408 L409	L313-L315 HydrophobicContact CD1-CD2 4.04Å; L313-L315 HydrophobicContact CD2-CD1 4.42Å; L313-L315 HydrophobicContact CD2-CD2 3.76Å; L313-L315 HydrophobicContact CD2-CG 4.1Å; L313-L315 HydrophobicContact CG-CD2 3.77Å; L313-L315 HydrophobicContact CG-CG 4.06Å; L313-E343 HydrophobicContact CD1-CB 3.94Å; L313-E343 HydrophobicContact CD1-CG 4.17Å; L313-Q345 HydrophobicContact CD1-CB 4.48Å; L313-Q345 HydrophobicContact CD1-CG 3.85Å; L313-A400 HydrophobicContact CD2-CB 3.66Å; L313-S407 PolarHBondContact N-O 2.94Å; L313-V408 HydrophobicContact CB-CG2 4.32Å; L313-V408 HydrophobicContact CD2-CG2 4.38Å; L313-V408 CarbonylContact O-C 3.56Å; L313-V408 VanDerWaalsContact O-CA 3.26Å; L313-V408 WeakPolarHBondContact O-CA 3.35Å; L313-L409 PolarHBondContact O-N 3.09Å
314	I	98.6	Very high	88.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.2	173.3	-56	179.4	0	0	0	108.1	L277 E334 C342 E343 I344 Q345 L409	L277-I314 HydrophobicContact CD1-CD1 4Å; I314-E334 HydrophobicContact CD1-CB 4.2Å; I314-E334 HydrophobicContact CD1-CG 3.94Å; I314-C342 HydrophobicContact CD1-CB 3.85Å; I314-C342 HydrophobicContact CG1-CB 4.16Å; I314-E343 PolarHBondContact N-O 3.39Å; I314-I344 HydrophobicContact CB-CG1 4.12Å; I314-I344 HydrophobicContact CD1-CG1 4.23Å; I314-I344 CarbonylContact O-C 3.56Å; I314-I344 WeakPolarHBondContact O-CA 3.39Å; I314-Q345 PolarHBondContact O-N 2.77Å; I314-L409 CarbonylContact C-O 3.57Å; I314-L409 WeakPolarHBondContact CA-O 3.31Å; I314-L409 HydrophobicContact CD1-CD2 4.43Å; I314-L409 HydrophobicContact CG1-CB 4.31Å; I314-L409 HydrophobicContact CG1-CD2 4.25Å; I314-L409 HydrophobicContact CG2-CD2 4.3Å
315	L	98.7	Very high	89.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	104.2	174.9	-63.2	-174.7	0	0	0	109.8	L313 A317 Q345 L347 R396 V397 V408 L409 V410 H411	L313-L315 HydrophobicContact CD1-CD2 4.04Å; L313-L315 HydrophobicContact CD2-CD1 4.42Å; L313-L315 HydrophobicContact CD2-CD2 3.76Å; L313-L315 HydrophobicContact CD2-CG 4.1Å; L313-L315 HydrophobicContact CG-CD2 3.77Å; L313-L315 HydrophobicContact CG-CG 4.06Å; L315-A317 PolarHBondContact O-N 2.94Å; L315-Q345 HydrophobicContact CD2-CB 3.79Å; L315-Q345 HydrophobicContact CD2-CG 4.49Å; L315-L347 HydrophobicContact CB-CD1 4.04Å; L315-L347 HydrophobicContact CB-CG 4.46Å; L315-L347 HydrophobicContact CD1-CD1 4.42Å; L315-L347 HydrophobicContact CD2-CD2 4.23Å; L315-R396 HydrophobicContact CD1-CG 4.17Å; L315-R396 HydrophobicContact CD2-CG 4.38Å; L315-V397 HydrophobicContact CD1-CG2 3.6Å; L315-V408 HydrophobicContact CD1-CG1 3.82Å; L315-V408 HydrophobicContact CG-CG1 3.94Å; L315-L409 PolarHBondContact N-O 2.91Å; L315-V410 HydrophobicContact CB-CG2 4.44Å; L315-H411 PolarHBondContact O-N 3.01Å; L315-H411 VanDerWaalsContact O-N 3.1Å
316	D	98.6	Very high	91.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.8	167.4	-170.5	-27	0	0	0	108.5	R318 Q345 F346 L347 H411	D316-R318 PolarHBondContact O-N 2.98Å; D316-R318 VanDerWaalsContact OD1-CB 3.22Å; D316-R318 WeakPolarHBondContact OD1-CB 3.42Å; D316-R318 VanDerWaalsContact OD1-CG 3.32Å; D316-R318 WeakPolarHBondContact OD1-CG 3.26Å; D316-R318 IonicContact OD1-CZ 3.62Å; D316-R318 PolarHBondContact OD1-N 2.64Å; D316-R318 IonicContact OD1-NE 3.21Å; D316-R318 PolarHBondContact OD1-NE 2.89Å; D316-R318 IonicContact OD1-NH2 3.58Å; D316-R318 IonicContact OD2-CZ 3.63Å; D316-R318 IonicContact OD2-NE 2.78Å; D316-R318 PolarHBondContact OD2-NE 2.74Å; D316-R318 IonicContact OD2-NH2 3.09Å; D316-R318 PolarHBondContact OD2-NH2 3.18Å; D316-Q345 PolarHBondContact N-O 2.99Å; D316-F346 HydrophobicContact CB-CD1 3.68Å; D316-F346 HydrophobicContact CB-CE1 3.81Å; D316-F346 HydrophobicContact CB-CG 4.49Å; D316-F346 WeakPolarHBondContact O-CA 3.48Å; D316-F346 WeakPolarHBondContact OD2-CE1 3.2Å; D316-L347 PolarHBondContact O-N 2.95Å; D316-H411 IonicContact OD2-CE1 3.5Å; D316-H411 PolarHBondContact OD2-CE1 3.14Å
317	A	98.6	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-64.6	-10.3	-178.2	0	0	0	0	0	113.7	L315 L349 H411 C412 R418 I422	L315-A317 PolarHBondContact O-N 2.94Å; A317-L349 HydrophobicContact CB-CD1 4.42Å; A317-L349 VanDerWaalsContact O-CB 3.28Å; A317-L349 WeakPolarHBondContact O-CB 3.28Å; A317-L349 PolarHBondContact O-N 3.08Å; A317-H411 WeakPolarHBondContact CB-O 3.49Å; A317-H411 PolarHBondContact N-O 3.14Å; A317-C412 HydrophobicContact CB-CB 3.8Å; A317-R418 HydrophobicContact CB-CB 3.8Å; A317-I422 HydrophobicContact CB-CD1 3.75Å
318	R	98.4	Very high	93.7	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.214	C	C	.	.	S	Bend	trans	-86.1	168.9	179.7	-58.2	172	-64.6	-180	6.1	111.1	D316 A322 N326 G332 L347 G348 C412 S413	D316-R318 PolarHBondContact O-N 2.98Å; D316-R318 VanDerWaalsContact OD1-CB 3.22Å; D316-R318 WeakPolarHBondContact OD1-CB 3.42Å; D316-R318 VanDerWaalsContact OD1-CG 3.32Å; D316-R318 WeakPolarHBondContact OD1-CG 3.26Å; D316-R318 IonicContact OD1-CZ 3.62Å; D316-R318 PolarHBondContact OD1-N 2.64Å; D316-R318 IonicContact OD1-NE 3.21Å; D316-R318 PolarHBondContact OD1-NE 2.89Å; D316-R318 IonicContact OD1-NH2 3.58Å; D316-R318 IonicContact OD2-CZ 3.63Å; D316-R318 IonicContact OD2-NE 2.78Å; D316-R318 PolarHBondContact OD2-NE 2.74Å; D316-R318 IonicContact OD2-NH2 3.09Å; D316-R318 PolarHBondContact OD2-NH2 3.18Å; R318-A322 HydrophobicContact CB-CB 4.26Å; R318-N326 PolarHBondContact NH1-ND2 3.2Å; R318-G332 PolarHBondContact NH2-O 2.49Å; R318-L347 PolarHBondContact O-N 2.98Å; R318-G348 PolarHBondContact O-N 3.22Å; R318-C412 HydrophobicContact CG-CB 4.49Å; R318-S413 WeakPolarHBondContact CD-OG 3.34Å; R318-S413 PolarHBondContact NH1-OG 2.82Å
319	S	97.5	Very high	94.7	Very high	40 Å²	40	43.2 Å²	43.2	28%	0.28	23%	0.225	S	C	.	.			trans	-72.9	154	159.8	65.1	0	0	0	0	109.7	T321 A322 A323	S319-T321 PolarHBondContact O-N 2.72Å; S319-T321 PolarHBondContact OG-OG1 2.92Å; S319-A322 PolarHBondContact O-N 2.69Å; S319-A322 VanDerWaalsContact O-N 3.1Å; S319-A322 WeakPolarHBondContact OG-CB 3.45Å; S319-A322 PolarHBondContact OG-N 2.94Å; S319-A322 VanDerWaalsContact OG-N 3.15Å; S319-A323 PolarHBondContact O-N 3.46Å
320	Y	96.3	Very high	95.1	Very high	123 Å²	123	43.8 Å²	43.8	48%	0.482	23%	0.234	S	C	.	.	H	α-helix	trans	-52.1	-42.7	172.1	177.8	-103.1	0	0	0	112	A322 A323 W324 F333 F346	Y320-A322 PolarHBondContact O-N 3.1Å; Y320-A323 PolarHBondContact O-N 2.99Å; Y320-W324 WeakPolarHBondContact O-CB 3.43Å; Y320-W324 PolarHBondContact O-N 3.19Å; Y320-F333 HydrophobicContact CD2-CZ 4.39Å; Y320-F333 HydrophobicContact CE2-CE1 4.35Å; Y320-F333 AromaticContact CE2-CE2 3.95Å; Y320-F333 HydrophobicContact CE2-CE2 3.95Å; Y320-F333 AromaticContact CE2-CZ 3.62Å; Y320-F333 HydrophobicContact CE2-CZ 3.62Å; Y320-F346 HydrophobicContact CD2-CD2 4.06Å; Y320-F346 HydrophobicContact CD2-CE1 4.35Å; Y320-F346 AromaticContact CD2-CE2 3.64Å; Y320-F346 HydrophobicContact CD2-CE2 3.64Å; Y320-F346 AromaticContact CD2-CZ 3.8Å; Y320-F346 HydrophobicContact CD2-CZ 3.8Å; Y320-F346 HydrophobicContact CE2-CE2 4.41Å; Y320-F346 HydrophobicContact CE2-CZ 4.49Å
321	T	96	Very high	95.5	Very high	103 Å²	103	41.4 Å²	41.4	63%	0.632	23%	0.225	S	C	*	.	H	α-helix	trans	-61	-41.5	178.2	51.7	0	0	0	0	113	S319 A325	S319-T321 PolarHBondContact O-N 2.72Å; S319-T321 PolarHBondContact OG-OG1 2.92Å; T321-A325 WeakPolarHBondContact O-CB 3.42Å; T321-A325 PolarHBondContact O-N 3.29Å
322	A	95.7	Very high	95.5	Very high	35 Å²	35	40.9 Å²	40.9	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-72.6	-36.9	177.6	0	0	0	0	0	112	R318 S319 Y320 A325 N326	R318-A322 HydrophobicContact CB-CB 4.26Å; S319-A322 PolarHBondContact O-N 2.69Å; S319-A322 VanDerWaalsContact O-N 3.1Å; S319-A322 WeakPolarHBondContact OG-CB 3.45Å; S319-A322 PolarHBondContact OG-N 2.94Å; S319-A322 VanDerWaalsContact OG-N 3.15Å; Y320-A322 PolarHBondContact O-N 3.1Å; A322-A325 PolarHBondContact O-N 2.84Å; A322-N326 PolarHBondContact O-N 3.2Å; A322-N326 PolarHBondContact O-ND2 3.1Å; A322-N326 VanDerWaalsContact O-ND2 3.08Å
323	A	95.3	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-43.2	173.8	0	0	0	0	0	111.4	S319 Y320 N326 R327 F333 F346	S319-A323 PolarHBondContact O-N 3.46Å; Y320-A323 PolarHBondContact O-N 2.99Å; A323-N326 PolarHBondContact O-N 2.77Å; A323-R327 PolarHBondContact O-N 2.8Å; A323-F333 HydrophobicContact CB-CB 4.38Å; A323-F333 HydrophobicContact CB-CD1 3.76Å; A323-F333 HydrophobicContact CB-CE1 4.44Å; A323-F333 HydrophobicContact CB-CG 4.32Å; A323-F346 HydrophobicContact CB-CD1 4.14Å; A323-F346 HydrophobicContact CB-CE1 3.54Å; A323-F346 HydrophobicContact CB-CZ 4.49Å
324	W	94.2	Very high	95.4	Very high	136 Å²	136	42.2 Å²	42.2	52%	0.515	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-40.8	174.8	-155.7	98.7	0	0	0	112.4	Y320 N326 R327 A328 F333	Y320-W324 WeakPolarHBondContact O-CB 3.43Å; Y320-W324 PolarHBondContact O-N 3.19Å; W324-N326 VanDerWaalsContact C-N 3.28Å; W324-N326 PolarHBondContact O-N 3.06Å; W324-R327 VanDerWaalsContact O-CB 3.27Å; W324-R327 WeakPolarHBondContact O-CB 3.46Å; W324-R327 PolarHBondContact O-N 2.6Å; W324-R327 VanDerWaalsContact O-N 3.07Å; W324-A328 PolarHBondContact O-N 3.17Å; W324-F333 HydrophobicContact CB-CE1 4.35Å
325	A	93.9	Very high	95.1	Very high	48 Å²	48	44 Å²	44	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-33.5	174	0	0	0	0	0	113	T321 A322 A328	T321-A325 WeakPolarHBondContact O-CB 3.42Å; T321-A325 PolarHBondContact O-N 3.29Å; A322-A325 PolarHBondContact O-N 2.84Å; A325-A328 PolarHBondContact O-N 2.9Å
326	N	93.1	Very high	94.6	Very high	35 Å²	35	48 Å²	48	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-72.4	-31.6	172.9	-69.6	-41.6	0	0	0	112.3	R318 A322 A323 W324 A328 K329 G330 G331 S413	R318-N326 PolarHBondContact NH1-ND2 3.2Å; A322-N326 PolarHBondContact O-N 3.2Å; A322-N326 PolarHBondContact O-ND2 3.1Å; A322-N326 VanDerWaalsContact O-ND2 3.08Å; A323-N326 PolarHBondContact O-N 2.77Å; W324-N326 VanDerWaalsContact C-N 3.28Å; W324-N326 PolarHBondContact O-N 3.06Å; N326-A328 VanDerWaalsContact C-N 3.27Å; N326-A328 PolarHBondContact O-N 3.46Å; N326-K329 CarbonylContact O-C 3.31Å; N326-K329 WeakPolarHBondContact O-CA 3.11Å; N326-K329 PolarHBondContact O-N 3.39Å; N326-G330 PolarHBondContact O-N 3.22Å; N326-G331 WeakPolarHBondContact O-CA 3.24Å; N326-G331 PolarHBondContact O-N 3.22Å; N326-S413 PolarHBondContact ND2-OG 3.44Å; N326-S413 VanDerWaalsContact ND2-OG 3.13Å
327	R	92.9	Very high	94.1	Very high	68 Å²	68	53.9 Å²	53.9	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-58	-40.3	172.2	-169	173.1	173.7	166.7	-7.8	112.5	G264 F265 A323 W324 K329 G330 G331	G264-R327 CarbonylContact C-O 3.57Å; G264-R327 VanDerWaalsContact O-CG 3.27Å; G264-R327 WeakPolarHBondContact O-CG 3.46Å; G264-R327 PolarHBondContact O-NE 3.4Å; F265-R327 PolarHBondContact N-O 2.64Å; A323-R327 PolarHBondContact O-N 2.8Å; W324-R327 VanDerWaalsContact O-CB 3.27Å; W324-R327 WeakPolarHBondContact O-CB 3.46Å; W324-R327 PolarHBondContact O-N 2.6Å; W324-R327 VanDerWaalsContact O-N 3.07Å; R327-K329 PolarHBondContact O-N 3.03Å; R327-K329 VanDerWaalsContact O-N 3.17Å; R327-G330 PolarHBondContact O-N 3.37Å; R327-G331 VanDerWaalsContact CA-O 3.31Å; R327-G331 WeakPolarHBondContact CA-O 3.38Å
328	A	90.3	Very high	93.8	Very high	56 Å²	56	57.4 Å²	57.4	46%	0.463	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.7	173.5	0	0	0	0	0	114.1	W324 A325 N326	W324-A328 PolarHBondContact O-N 3.17Å; A325-A328 PolarHBondContact O-N 2.9Å; N326-A328 VanDerWaalsContact C-N 3.27Å; N326-A328 PolarHBondContact O-N 3.46Å
329	K	91.8	Very high	93.6	Very high	178 Å²	178	57.6 Å²	57.6	77%	0.774	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	10.2	178.9	-62.4	-178.4	-179	-179.5	0	113.8	N326 R327	N326-K329 CarbonylContact O-C 3.31Å; N326-K329 WeakPolarHBondContact O-CA 3.11Å; N326-K329 PolarHBondContact O-N 3.39Å; R327-K329 PolarHBondContact O-N 3.03Å; R327-K329 VanDerWaalsContact O-N 3.17Å
330	G	92.2	Very high	93.3	Very high	31 Å²	31	62.9 Å²	62.9	32%	0.32	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.1	-22.5	-179.3	0	0	0	0	0	114.7	E262 G264 N326 R327	E262-G330 CarbonylContact C-O 3.59Å; E262-G330 WeakPolarHBondContact CA-O 3.29Å; E262-G330 WeakPolarHBondContact CB-O 3.45Å; G264-G330 VanDerWaalsContact CA-O 3.31Å; G264-G330 WeakPolarHBondContact CA-O 3.28Å; G264-G330 PolarHBondContact N-O 3.32Å; N326-G330 PolarHBondContact O-N 3.22Å; R327-G330 PolarHBondContact O-N 3.37Å
331	G	94.5	Very high	93.1	Very high	5 Å²	5	61.4 Å²	61.4	5%	0.052	32%	0.321	C	S	.	.			trans	-74.9	-148.8	173.8	0	0	0	0	0	112.6	P261 P263 G264 N326 R327	P261-G331 CarbonylContact O-C 3.54Å; P261-G331 VanDerWaalsContact O-C 3.31Å; P263-G331 WeakPolarHBondContact CD-O 3.38Å; G264-G331 PolarHBondContact N-O 3.34Å; N326-G331 WeakPolarHBondContact O-CA 3.24Å; N326-G331 PolarHBondContact O-N 3.22Å; R327-G331 VanDerWaalsContact CA-O 3.31Å; R327-G331 WeakPolarHBondContact CA-O 3.38Å
332	G	94.4	Very high	93	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.			trans	151.6	-150.4	173.4	0	0	0	0	0	113.5	Q260 P261 R318	Q260-G332 VanDerWaalsContact OE1-N 3.14Å; Q260-G332 PolarHBondContact OE1-O 2.99Å; P261-G332 PolarHBondContact O-N 3.46Å; P261-G332 VanDerWaalsContact O-N 3.07Å; R318-G332 PolarHBondContact NH2-O 2.49Å
333	F	96	Very high	93	Very high	24 Å²	24	57.4 Å²	57.4	11%	0.105	29%	0.289	C	S	.	.			trans	-154.3	158.6	-177.1	57.2	-86.9	0	0	0	108.9	Y320 A323 W324 F346	Y320-F333 HydrophobicContact CD2-CZ 4.39Å; Y320-F333 HydrophobicContact CE2-CE1 4.35Å; Y320-F333 AromaticContact CE2-CE2 3.95Å; Y320-F333 HydrophobicContact CE2-CE2 3.95Å; Y320-F333 AromaticContact CE2-CZ 3.62Å; Y320-F333 HydrophobicContact CE2-CZ 3.62Å; A323-F333 HydrophobicContact CB-CB 4.38Å; A323-F333 HydrophobicContact CB-CD1 3.76Å; A323-F333 HydrophobicContact CB-CE1 4.44Å; A323-F333 HydrophobicContact CB-CG 4.32Å; W324-F333 HydrophobicContact CB-CE1 4.35Å; F333-F346 HydrophobicContact CB-CE1 4.21Å; F333-F346 HydrophobicContact CB-CZ 4.13Å; F333-F346 HydrophobicContact CD2-CE1 4.47Å; F333-F346 AromaticContact CD2-CZ 3.67Å; F333-F346 HydrophobicContact CD2-CZ 3.67Å; F333-F346 HydrophobicContact CE2-CZ 4.19Å; F333-F346 HydrophobicContact CG-CE1 4.22Å; F333-F346 AromaticContact CG-CZ 3.86Å; F333-F346 HydrophobicContact CG-CZ 3.86Å
334	E	95.5	Very high	93	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.014	30%	0.298	C	S	.	.			trans	-64.3	151.5	178.9	-67.7	84.7	168.2	0	0	111.4	R236 P261 I314 Y339 I344 H411	R236-E334 IonicContact CZ-OE1 3.46Å; R236-E334 IonicContact NH1-OE1 3.31Å; R236-E334 PolarHBondContact NH1-OE1 2.82Å; R236-E334 IonicContact NH2-OE1 2.94Å; R236-E334 PolarHBondContact NH2-OE1 3.36Å; P261-E334 HydrophobicContact CG-CG 4.24Å; I314-E334 HydrophobicContact CD1-CB 4.2Å; I314-E334 HydrophobicContact CD1-CG 3.94Å; E334-Y339 HydrophobicContact CB-CD2 3.62Å; E334-Y339 HydrophobicContact CB-CE2 3.7Å; E334-Y339 HydrophobicContact CB-CG 4.09Å; E334-Y339 HydrophobicContact CG-CD1 4.28Å; E334-Y339 HydrophobicContact CG-CD2 4.02Å; E334-Y339 HydrophobicContact CG-CE1 3.99Å; E334-Y339 HydrophobicContact CG-CE2 3.73Å; E334-Y339 HydrophobicContact CG-CG 4.28Å; E334-I344 HydrophobicContact CB-CD1 3.77Å; E334-I344 HydrophobicContact CB-CG1 4.32Å; E334-I344 WeakPolarHBondContact O-CD1 3.31Å; E334-H411 IonicContact OE1-NE2 2.77Å; E334-H411 IonicContact OE2-CE1 3.4Å; E334-H411 IonicContact OE2-NE2 3.78Å; E334-H411 PolarHBondContact OE2-NE2 3.35Å; E334-H411 VanDerWaalsContact OE2-NE2 3.17Å
335	S	92.4	Very high	93.2	Very high	38 Å²	38	55.1 Å²	55.1	27%	0.266	29%	0.285	S	S	.	.			trans	-110.3	130.5	176.3	178.6	0	0	0	0	110.7	E337 Y338 Y339	S335-E337 PolarHBondContact O-N 3.48Å; S335-E337 PolarHBondContact OG-N 3.31Å; S335-Y338 PolarHBondContact O-N 2.93Å; S335-Y339 VanDerWaalsContact O-CD2 3.32Å; S335-Y339 WeakPolarHBondContact O-CD2 3.32Å; S335-Y339 PolarHBondContact O-N 3.1Å
336	S	88.6	Confident	93.4	Very high	83 Å²	83	55.8 Å²	55.8	58%	0.58	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.7	176.8	53.1	0	0	0	0	113.4
337	E	89.3	Confident	93.7	Very high	124 Å²	124	56.3 Å²	56.3	58%	0.579	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-36	175.1	-168.3	-176.1	167.7	0	0	112.8	S335 K340	S335-E337 PolarHBondContact O-N 3.48Å; S335-E337 PolarHBondContact OG-N 3.31Å; E337-K340 WeakPolarHBondContact O-CE 3.23Å; E337-K340 WeakPolarHBondContact O-CG 3.16Å
338	Y	92.2	Very high	93.9	Very high	75 Å²	75	55.2 Å²	55.2	29%	0.294	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-31.8	-175.2	-48.8	-40.2	0	0	0	111.9	R269 S335 K340	R269-Y338 HydrophobicContact CG-CD2 3.86Å; R269-Y338 HydrophobicContact CG-CE2 3.8Å; R269-Y338 HydrophobicContact CG-CG 4.34Å; S335-Y338 PolarHBondContact O-N 2.93Å; Y338-K340 PolarHBondContact O-N 2.97Å
339	Y	94.3	Very high	94.3	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.016	27%	0.274	C	S	.	.			trans	-98.4	59.4	177.8	-62.5	-93.7	0	0	0	110.7	D273 E274 L277 E334 S335 R341 C342	D273-Y339 PolarHBondContact OD2-OH 2.97Å; E274-Y339 HydrophobicContact CG-CE1 4.05Å; E274-Y339 HydrophobicContact CG-CE2 4.4Å; L277-Y339 HydrophobicContact CD1-CD1 3.74Å; L277-Y339 HydrophobicContact CD1-CE1 3.69Å; L277-Y339 HydrophobicContact CG-CE1 4.45Å; E334-Y339 HydrophobicContact CB-CD2 3.62Å; E334-Y339 HydrophobicContact CB-CE2 3.7Å; E334-Y339 HydrophobicContact CB-CG 4.09Å; E334-Y339 HydrophobicContact CG-CD1 4.28Å; E334-Y339 HydrophobicContact CG-CD2 4.02Å; E334-Y339 HydrophobicContact CG-CE1 3.99Å; E334-Y339 HydrophobicContact CG-CE2 3.73Å; E334-Y339 HydrophobicContact CG-CG 4.28Å; S335-Y339 VanDerWaalsContact O-CD2 3.32Å; S335-Y339 WeakPolarHBondContact O-CD2 3.32Å; S335-Y339 PolarHBondContact O-N 3.1Å; Y339-R341 VanDerWaalsContact C-N 3.3Å; Y339-R341 PolarHBondContact O-N 2.97Å; Y339-R341 VanDerWaalsContact O-N 3.16Å; Y339-C342 WeakPolarHBondContact O-CA 3.34Å; Y339-C342 VanDerWaalsContact O-CB 3.31Å; Y339-C342 WeakPolarHBondContact O-CB 3.46Å; Y339-C342 PolarHBondContact O-N 3.3Å
340	K	90.1	Very high	94.5	Very high	152 Å²	152	46.1 Å²	46.1	66%	0.661	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.4	-166.3	-63.6	180	-178.6	176.7	0	115.7	E337 Y338 C342	E337-K340 WeakPolarHBondContact O-CE 3.23Å; E337-K340 WeakPolarHBondContact O-CG 3.16Å; Y338-K340 PolarHBondContact O-N 2.97Å; K340-C342 VanDerWaalsContact C-N 3.27Å
341	R	92.6	Very high	94.8	Very high	91 Å²	91	48 Å²	48	34%	0.343	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	10.5	176.8	-59.5	-168.3	74.2	-176.7	4.3	113.1	I281 P311 Y339	I281-R341 HydrophobicContact CD1-CB 3.73Å; P311-R341 WeakPolarHBondContact CD-O 3.4Å; P311-R341 HydrophobicContact CG-CB 4.44Å; Y339-R341 VanDerWaalsContact C-N 3.3Å; Y339-R341 PolarHBondContact O-N 2.97Å; Y339-R341 VanDerWaalsContact O-N 3.16Å
342	C	94.8	Very high	94.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.3	179.6	-52.9	0	0	0	0	111	L312 I314 Y339 K340	L312-C342 CarbonylContact O-C 3.53Å; L312-C342 WeakPolarHBondContact O-CA 3.49Å; I314-C342 HydrophobicContact CD1-CB 3.85Å; I314-C342 HydrophobicContact CG1-CB 4.16Å; Y339-C342 WeakPolarHBondContact O-CA 3.34Å; Y339-C342 VanDerWaalsContact O-CB 3.31Å; Y339-C342 WeakPolarHBondContact O-CB 3.46Å; Y339-C342 PolarHBondContact O-N 3.3Å; K340-C342 VanDerWaalsContact C-N 3.27Å
343	E	94.9	Very high	95	Very high	53 Å²	53	52.8 Å²	52.8	25%	0.248	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.9	160.5	-168.5	-172.5	158.3	0	0	108.7	K310 L312 L313 I314 Q345 R406	K310-E343 HydrophobicContact CB-CB 4.47Å; K310-E343 HydrophobicContact CD-CB 3.91Å; K310-E343 HydrophobicContact CD-CG 4.49Å; L312-E343 PolarHBondContact O-N 2.89Å; L313-E343 HydrophobicContact CD1-CB 3.94Å; L313-E343 HydrophobicContact CD1-CG 4.17Å; I314-E343 PolarHBondContact N-O 3.39Å; E343-Q345 PolarHBondContact OE1-NE2 2.94Å; E343-R406 IonicContact OE2-CZ 2.86Å; E343-R406 IonicContact OE2-NH1 3.17Å; E343-R406 PolarHBondContact OE2-NH1 3.33Å; E343-R406 IonicContact OE2-NH2 2.75Å; E343-R406 PolarHBondContact OE2-NH2 3.03Å
344	I	96.1	Very high	95.1	Very high	36 Å²	36	54 Å²	54	19%	0.185	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.5	179	-59.7	153.4	0	0	0	108.3	I314 E334 F346	I314-I344 HydrophobicContact CB-CG1 4.12Å; I314-I344 HydrophobicContact CD1-CG1 4.23Å; I314-I344 CarbonylContact O-C 3.56Å; I314-I344 WeakPolarHBondContact O-CA 3.39Å; E334-I344 HydrophobicContact CB-CD1 3.77Å; E334-I344 HydrophobicContact CB-CG1 4.32Å; E334-I344 WeakPolarHBondContact O-CD1 3.31Å; I344-F346 HydrophobicContact CG2-CE2 3.99Å; I344-F346 HydrophobicContact CG2-CZ 4.19Å
345	Q	97.7	Very high	95.2	Very high	52 Å²	52	54.2 Å²	54.2	24%	0.243	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.6	176.2	-62.1	-176	-5.5	0	0	110.6	L313 I314 L315 D316 E343 R396	L313-Q345 HydrophobicContact CD1-CB 4.48Å; L313-Q345 HydrophobicContact CD1-CG 3.85Å; I314-Q345 PolarHBondContact O-N 2.77Å; L315-Q345 HydrophobicContact CD2-CB 3.79Å; L315-Q345 HydrophobicContact CD2-CG 4.49Å; D316-Q345 PolarHBondContact N-O 2.99Å; E343-Q345 PolarHBondContact OE1-NE2 2.94Å; Q345-R396 VanDerWaalsContact OE1-NE 3.09Å
346	F	98.5	Very high	95.4	Very high	62 Å²	62	54.7 Å²	54.7	27%	0.272	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.4	176.8	-66.9	-87.3	0	0	0	110	D316 Y320 A323 F333 I344	D316-F346 HydrophobicContact CB-CD1 3.68Å; D316-F346 HydrophobicContact CB-CE1 3.81Å; D316-F346 HydrophobicContact CB-CG 4.49Å; D316-F346 WeakPolarHBondContact O-CA 3.48Å; D316-F346 WeakPolarHBondContact OD2-CE1 3.2Å; Y320-F346 HydrophobicContact CD2-CD2 4.06Å; Y320-F346 HydrophobicContact CD2-CE1 4.35Å; Y320-F346 AromaticContact CD2-CE2 3.64Å; Y320-F346 HydrophobicContact CD2-CE2 3.64Å; Y320-F346 AromaticContact CD2-CZ 3.8Å; Y320-F346 HydrophobicContact CD2-CZ 3.8Å; Y320-F346 HydrophobicContact CE2-CE2 4.41Å; Y320-F346 HydrophobicContact CE2-CZ 4.49Å; A323-F346 HydrophobicContact CB-CD1 4.14Å; A323-F346 HydrophobicContact CB-CE1 3.54Å; A323-F346 HydrophobicContact CB-CZ 4.49Å; F333-F346 HydrophobicContact CB-CE1 4.21Å; F333-F346 HydrophobicContact CB-CZ 4.13Å; F333-F346 HydrophobicContact CD2-CE1 4.47Å; F333-F346 AromaticContact CD2-CZ 3.67Å; F333-F346 HydrophobicContact CD2-CZ 3.67Å; F333-F346 HydrophobicContact CE2-CZ 4.19Å; F333-F346 HydrophobicContact CG-CE1 4.22Å; F333-F346 AromaticContact CG-CZ 3.86Å; F333-F346 HydrophobicContact CG-CZ 3.86Å; I344-F346 HydrophobicContact CG2-CE2 3.99Å; I344-F346 HydrophobicContact CG2-CZ 4.19Å
347	L	98.2	Very high	95.8	Very high	46 Å²	46	57.2 Å²	57.2	24%	0.241	28%	0.278	C	S	.	.			trans	-86.4	-19.1	-172	-61.3	173	0	0	0	113.9	L315 D316 R318 L349 A393 I422	L315-L347 HydrophobicContact CB-CD1 4.04Å; L315-L347 HydrophobicContact CB-CG 4.46Å; L315-L347 HydrophobicContact CD1-CD1 4.42Å; L315-L347 HydrophobicContact CD2-CD2 4.23Å; D316-L347 PolarHBondContact O-N 2.95Å; R318-L347 PolarHBondContact O-N 2.98Å; L347-L349 VanDerWaalsContact C-N 3.34Å; L347-L349 HydrophobicContact CB-CG 4.32Å; L347-L349 PolarHBondContact O-N 2.69Å; L347-A393 HydrophobicContact CD1-CB 3.81Å; L347-I422 HydrophobicContact CD1-CD1 3.81Å
348	G	97.6	Very high	96.2	Very high	46 Å²	46	51.5 Å²	51.5	47%	0.474	25%	0.252	S	S	.	.			trans	70.6	22.1	176.7	0	0	0	0	0	115.5	R318	R318-G348 PolarHBondContact O-N 3.22Å
349	L	98.1	Very high	96.3	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.084	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.4	137.8	179.2	-59.2	-176.4	0	0	0	111.8	A317 L347 A389 L390 A393 R418 I422	A317-L349 HydrophobicContact CB-CD1 4.42Å; A317-L349 VanDerWaalsContact O-CB 3.28Å; A317-L349 WeakPolarHBondContact O-CB 3.28Å; A317-L349 PolarHBondContact O-N 3.08Å; L347-L349 VanDerWaalsContact C-N 3.34Å; L347-L349 HydrophobicContact CB-CG 4.32Å; L347-L349 PolarHBondContact O-N 2.69Å; L349-A389 HydrophobicContact CD2-CB 3.77Å; L349-L390 HydrophobicContact CD1-CD1 4.08Å; L349-A393 HydrophobicContact CD1-CB 4.06Å; L349-A393 HydrophobicContact CD2-CB 4.37Å; L349-R418 HydrophobicContact CB-CG 4.3Å; L349-R418 HydrophobicContact CD1-CB 4.44Å; L349-R418 HydrophobicContact CD1-CG 4.38Å; L349-R418 PolarHBondContact O-NH1 2.81Å; L349-I422 HydrophobicContact CD1-CD1 3.77Å; L349-I422 HydrophobicContact CD1-CG1 4.12Å
350	A	97.3	Very high	96.3	Very high	27 Å²	27	50.8 Å²	50.8	22%	0.223	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-59.8	148.2	-179.3	0	0	0	0	0	112.2	I355	A350-I355 HydrophobicContact CB-CD1 3.9Å; A350-I355 HydrophobicContact CB-CG1 4.36Å
351	N	96.9	Very high	96.5	Very high	69 Å²	69	47 Å²	47	37%	0.369	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-81.5	170.7	178.4	64.7	29	0	0	0	111.9	H353 S354 I355	N351-H353 PolarHBondContact O-N 2.86Å; N351-H353 VanDerWaalsContact O-N 3.14Å; N351-H353 PolarHBondContact OD1-N 3.45Å; N351-S354 WeakPolarHBondContact O-CB 3.31Å; N351-S354 PolarHBondContact O-N 3.07Å; N351-S354 WeakPolarHBondContact OD1-CB 3.39Å; N351-S354 PolarHBondContact OD1-N 2.9Å; N351-S354 PolarHBondContact OD1-OG 3.19Å; N351-I355 WeakPolarHBondContact O-CG1 3.38Å; N351-I355 PolarHBondContact O-N 3.5Å
352	I	97.5	Very high	96.5	Very high	24 Å²	24	42.7 Å²	42.7	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-33.6	-176.9	65.5	172.7	0	0	0	113.5	R356 A470 V472	I352-R356 WeakPolarHBondContact O-CB 3.35Å; I352-R356 PolarHBondContact O-N 3.47Å; I352-A470 HydrophobicContact CB-CB 3.76Å; I352-A470 HydrophobicContact CG2-CB 4.35Å; I352-A470 WeakPolarHBondContact O-CB 3.28Å; I352-V472 HydrophobicContact CG2-CG2 4.2Å
353	H	96.8	Very high	96.2	Very high	83 Å²	83	43.6 Å²	43.6	38%	0.384	22%	0.222	S	C	.	.	H	α-helix	trans	-70.6	-40.2	179.3	-52	-48.5	0	0	0	111.5	N351 R356 Y357 N467	N351-H353 PolarHBondContact O-N 2.86Å; N351-H353 VanDerWaalsContact O-N 3.14Å; N351-H353 PolarHBondContact OD1-N 3.45Å; H353-R356 PolarHBondContact O-N 3.19Å; H353-Y357 WeakPolarHBondContact O-CB 3.39Å; H353-Y357 PolarHBondContact O-N 3.46Å; H353-N467 PolarHBondContact CE1-O 3.36Å; H353-N467 PolarHBondContact ND1-O 3.21Å; H353-N467 VanDerWaalsContact ND1-O 3.16Å
354	S	97.7	Very high	95.9	Very high	48 Å²	48	44.8 Å²	44.8	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-42.9	176.4	-53.6	0	0	0	0	110.8	N351 Y357 S358	N351-S354 WeakPolarHBondContact O-CB 3.31Å; N351-S354 PolarHBondContact O-N 3.07Å; N351-S354 WeakPolarHBondContact OD1-CB 3.39Å; N351-S354 PolarHBondContact OD1-N 2.9Å; N351-S354 PolarHBondContact OD1-OG 3.19Å; S354-Y357 PolarHBondContact O-N 3.47Å; S354-S358 VanDerWaalsContact O-CB 3.27Å; S354-S358 WeakPolarHBondContact O-CB 3.37Å; S354-S358 PolarHBondContact O-N 3.06Å
355	I	97.9	Very high	95.5	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-45.4	175.6	-63.1	-55.1	0	0	0	111.1	A350 N351 Y357 S358 F359 W383 H386 P471	A350-I355 HydrophobicContact CB-CD1 3.9Å; A350-I355 HydrophobicContact CB-CG1 4.36Å; N351-I355 WeakPolarHBondContact O-CG1 3.38Å; N351-I355 PolarHBondContact O-N 3.5Å; I355-Y357 PolarHBondContact O-N 2.89Å; I355-S358 PolarHBondContact O-N 3.18Å; I355-F359 WeakPolarHBondContact O-CB 3.42Å; I355-F359 PolarHBondContact O-N 3.34Å; I355-W383 HydrophobicContact CG2-CZ3 3.97Å; I355-H386 HydrophobicContact CD1-CB 3.75Å; I355-P471 HydrophobicContact CG2-CG 4.05Å
356	R	96.3	Very high	94.8	Very high	49 Å²	49	41.9 Å²	41.9	19%	0.185	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-48	174.5	173	168.1	53.5	98.6	-4.5	111.6	I352 H353 F359 Q360 N467 R469 A470	I352-R356 WeakPolarHBondContact O-CB 3.35Å; I352-R356 PolarHBondContact O-N 3.47Å; H353-R356 PolarHBondContact O-N 3.19Å; R356-F359 PolarHBondContact O-N 3.35Å; R356-Q360 VanDerWaalsContact O-CG 3.31Å; R356-Q360 WeakPolarHBondContact O-CG 3.37Å; R356-Q360 PolarHBondContact O-N 2.72Å; R356-N467 PolarHBondContact NH2-OD1 3.42Å; R356-R469 WeakPolarHBondContact CD-O 3.39Å; R356-R469 PolarHBondContact NE-O 3.25Å; R356-A470 HydrophobicContact CB-CB 4.39Å
357	Y	96.6	Very high	93.9	Very high	135 Å²	135	41.5 Å²	41.5	53%	0.529	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-41.5	-179.8	-178.6	-113.1	0	0	0	112.4	H353 S354 I355 Q360 K361	H353-Y357 WeakPolarHBondContact O-CB 3.39Å; H353-Y357 PolarHBondContact O-N 3.46Å; S354-Y357 PolarHBondContact O-N 3.47Å; I355-Y357 PolarHBondContact O-N 2.89Å; Y357-Q360 PolarHBondContact O-N 3.1Å; Y357-K361 HydrophobicContact CD1-CD 4.48Å; Y357-K361 HydrophobicContact CE1-CD 3.99Å; Y357-K361 PolarHBondContact O-N 3.03Å; Y357-K361 WeakPolarHBondContact OH-CE 3.29Å; Y357-K361 PolarHBondContact OH-NZ 3.15Å
358	S	97.2	Very high	93	Very high	4 Å²	4	43 Å²	43	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-48.2	173.6	172.2	0	0	0	0	111.6	S354 I355 Q360 K361 F362 C381 W383 H386	S354-S358 VanDerWaalsContact O-CB 3.27Å; S354-S358 WeakPolarHBondContact O-CB 3.37Å; S354-S358 PolarHBondContact O-N 3.06Å; I355-S358 PolarHBondContact O-N 3.18Å; S358-Q360 PolarHBondContact O-N 2.96Å; S358-K361 WeakPolarHBondContact O-CB 3.42Å; S358-K361 PolarHBondContact O-N 2.82Å; S358-F362 WeakPolarHBondContact O-CB 3.32Å; S358-F362 PolarHBondContact O-N 2.85Å; S358-C381 WeakPolarHBondContact CA-O 3.29Å; S358-C381 VanDerWaalsContact CB-O 3.24Å; S358-C381 WeakPolarHBondContact CB-O 3.48Å; S358-C381 PolarHBondContact OG-O 3.06Å; S358-W383 WeakPolarHBondContact OG-CA 3.27Å; S358-W383 PolarHBondContact OG-N 3.16Å; S358-H386 PolarHBondContact OG-CD2 2.77Å; S358-H386 VanDerWaalsContact OG-CD2 3.3Å
359	F	95.7	Very high	92.2	Very high	9 Å²	9	41.9 Å²	41.9	4%	0.039	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-37.3	179.5	-168.8	-111.5	0	0	0	113	K110 I355 R356 F362 R363 W383 P471 L474 Y573	K110-F359 WeakPolarHBondContact O-CE1 3.43Å; I355-F359 WeakPolarHBondContact O-CB 3.42Å; I355-F359 PolarHBondContact O-N 3.34Å; R356-F359 PolarHBondContact O-N 3.35Å; F359-F362 AromaticContact CD2-CD1 3.88Å; F359-F362 HydrophobicContact CD2-CD1 3.88Å; F359-F362 HydrophobicContact CD2-CE1 4.4Å; F359-F362 AromaticContact CE2-CD1 3.87Å; F359-F362 HydrophobicContact CE2-CD1 3.87Å; F359-F362 HydrophobicContact CE2-CE1 4.02Å; F359-F362 WeakPolarHBondContact O-CB 3.32Å; F359-F362 PolarHBondContact O-N 3.22Å; F359-R363 PolarHBondContact O-N 2.84Å; F359-W383 HydrophobicContact CB-CE3 4Å; F359-W383 HydrophobicContact CB-CH2 4.39Å; F359-W383 HydrophobicContact CB-CZ3 3.73Å; F359-W383 HydrophobicContact CD2-CD2 4.01Å; F359-W383 AromaticContact CD2-CE2 3.94Å; F359-W383 AromaticContact CD2-CE3 3.86Å; F359-W383 HydrophobicContact CD2-CE3 3.86Å; F359-W383 AromaticContact CD2-CH2 3.57Å; F359-W383 HydrophobicContact CD2-CH2 3.57Å; F359-W383 AromaticContact CD2-CZ2 3.74Å; F359-W383 HydrophobicContact CD2-CZ2 3.74Å; F359-W383 AromaticContact CD2-CZ3 3.64Å; F359-W383 HydrophobicContact CD2-CZ3 3.64Å; F359-W383 HydrophobicContact CE2-CH2 4.19Å; F359-W383 HydrophobicContact CE2-CZ2 4.04Å; F359-W383 HydrophobicContact CG-CE3 4.43Å; F359-W383 HydrophobicContact CG-CH2 4.26Å; F359-W383 HydrophobicContact CG-CZ3 4.07Å; F359-P471 HydrophobicContact CB-CG 3.66Å; F359-P471 HydrophobicContact CD1-CB 4.15Å; F359-P471 HydrophobicContact CD1-CG 3.85Å; F359-P471 HydrophobicContact CD2-CG 4.26Å; F359-P471 HydrophobicContact CE1-CB 4.4Å; F359-P471 HydrophobicContact CG-CB 4.27Å; F359-P471 HydrophobicContact CG-CG 3.66Å; F359-L474 HydrophobicContact CE1-CD2 4.29Å; F359-L474 HydrophobicContact CE2-CD2 4.03Å; F359-L474 HydrophobicContact CZ-CD2 3.57Å; F359-Y573 AromaticContact CE2-CE1 3.71Å; F359-Y573 HydrophobicContact CE2-CE1 3.71Å; F359-Y573 AromaticContact CZ-CE1 3.93Å; F359-Y573 HydrophobicContact CZ-CE1 3.93Å
360	Q	93.3	Very high	91.6	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-44.5	173.7	-75	175.6	-14.8	0	0	111.4	R356 Y357 S358 R363 L364	R356-Q360 VanDerWaalsContact O-CG 3.31Å; R356-Q360 WeakPolarHBondContact O-CG 3.37Å; R356-Q360 PolarHBondContact O-N 2.72Å; Y357-Q360 PolarHBondContact O-N 3.1Å; S358-Q360 PolarHBondContact O-N 2.96Å; Q360-R363 PolarHBondContact O-N 2.79Å; Q360-L364 WeakPolarHBondContact O-CG 3.44Å; Q360-L364 PolarHBondContact O-N 2.98Å; Q360-L364 VanDerWaalsContact O-N 3.14Å
361	K	94.2	Very high	90.8	Very high	72 Å²	72	51.8 Å²	51.8	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-41.8	173.3	-78	-175.6	167.6	176.1	0	112.4	Y357 S358 L364 A365 C381	Y357-K361 HydrophobicContact CD1-CD 4.48Å; Y357-K361 HydrophobicContact CE1-CD 3.99Å; Y357-K361 PolarHBondContact O-N 3.03Å; Y357-K361 WeakPolarHBondContact OH-CE 3.29Å; Y357-K361 PolarHBondContact OH-NZ 3.15Å; S358-K361 WeakPolarHBondContact O-CB 3.42Å; S358-K361 PolarHBondContact O-N 2.82Å; K361-L364 PolarHBondContact O-N 3.44Å; K361-A365 WeakPolarHBondContact O-CB 3.31Å; K361-A365 PolarHBondContact O-N 3.1Å; K361-C381 HydrophobicContact CB-CB 3.53Å
362	F	92.9	Very high	90.4	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-46.5	178.7	169.3	-104.9	0	0	0	111.6	S358 F359 L364 A365 I366 L378 C381 W383 L568 Y573	S358-F362 WeakPolarHBondContact O-CB 3.32Å; S358-F362 PolarHBondContact O-N 2.85Å; F359-F362 AromaticContact CD2-CD1 3.88Å; F359-F362 HydrophobicContact CD2-CD1 3.88Å; F359-F362 HydrophobicContact CD2-CE1 4.4Å; F359-F362 AromaticContact CE2-CD1 3.87Å; F359-F362 HydrophobicContact CE2-CD1 3.87Å; F359-F362 HydrophobicContact CE2-CE1 4.02Å; F359-F362 WeakPolarHBondContact O-CB 3.32Å; F359-F362 PolarHBondContact O-N 3.22Å; F362-L364 VanDerWaalsContact C-N 3.34Å; F362-L364 PolarHBondContact O-N 3.14Å; F362-A365 WeakPolarHBondContact O-CB 3.25Å; F362-A365 PolarHBondContact O-N 3.06Å; F362-A365 VanDerWaalsContact O-N 3.14Å; F362-I366 HydrophobicContact CD1-CD1 3.92Å; F362-I366 HydrophobicContact CD2-CD1 4.07Å; F362-I366 HydrophobicContact CE1-CD1 3.5Å; F362-I366 VanDerWaalsContact CE1-CD1 3.5Å; F362-I366 HydrophobicContact CE2-CD1 3.67Å; F362-I366 HydrophobicContact CE2-CG1 4.41Å; F362-I366 HydrophobicContact CG-CD1 4.22Å; F362-I366 HydrophobicContact CZ-CD1 3.42Å; F362-I366 VanDerWaalsContact CZ-CD1 3.42Å; F362-I366 WeakPolarHBondContact O-CG1 3.38Å; F362-I366 PolarHBondContact O-N 3.31Å; F362-L378 HydrophobicContact CD2-CD1 3.83Å; F362-L378 HydrophobicContact CE2-CD1 3.92Å; F362-C381 HydrophobicContact CB-CB 4.13Å; F362-W383 HydrophobicContact CB-CB 3.95Å; F362-W383 HydrophobicContact CB-CG 4.32Å; F362-W383 HydrophobicContact CD1-CG 4.31Å; F362-W383 HydrophobicContact CD2-CB 3.74Å; F362-W383 AromaticContact CD2-CD1 3.84Å; F362-W383 AromaticContact CD2-CG 3.93Å; F362-W383 HydrophobicContact CD2-CG 3.93Å; F362-W383 HydrophobicContact CE2-CB 4.31Å; F362-W383 AromaticContact CE2-CD1 3.57Å; F362-W383 HydrophobicContact CE2-CG 4.13Å; F362-W383 HydrophobicContact CG-CB 3.93Å; F362-W383 AromaticContact CG-CG 3.96Å; F362-W383 HydrophobicContact CG-CG 3.96Å; F362-W383 AromaticContact CZ-CD1 3.6Å; F362-W383 HydrophobicContact CZ-CG 4.36Å; F362-W383 AromaticContact CZ-NE1 3.98Å; F362-L568 HydrophobicContact CE1-CD1 4.31Å; F362-L568 HydrophobicContact CE2-CD1 3.52Å; F362-L568 HydrophobicContact CZ-CD1 3.19Å; F362-Y573 AromaticContact CE1-CD1 3.98Å; F362-Y573 HydrophobicContact CE1-CD1 3.98Å; F362-Y573 AromaticContact CE1-CD2 3.81Å; F362-Y573 HydrophobicContact CE1-CD2 3.81Å; F362-Y573 HydrophobicContact CE1-CE1 4Å; F362-Y573 AromaticContact CE1-CE2 3.8Å; F362-Y573 HydrophobicContact CE1-CE2 3.8Å; F362-Y573 AromaticContact CE1-CG 3.89Å; F362-Y573 HydrophobicContact CE1-CG 3.89Å; F362-Y573 AromaticContact CE1-CZ 3.91Å; F362-Y573 AromaticContact CZ-CD2 3.67Å; F362-Y573 HydrophobicContact CZ-CD2 3.67Å; F362-Y573 AromaticContact CZ-CE2 3.72Å; F362-Y573 HydrophobicContact CZ-CE2 3.72Å; F362-Y573 HydrophobicContact CZ-CG 4.15Å
363	R	89.8	Confident	90.1	Very high	20 Å²	20	53.6 Å²	53.6	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-46	173.7	-176.3	173.7	67.9	-162.4	-6.3	111.8	E95 N96 G109 G112 T114 F359 Q360 A365 I366 F367	E95-R363 IonicContact OE2-CZ 2.76Å; E95-R363 VanDerWaalsContact OE2-CZ 3.23Å; E95-R363 IonicContact OE2-NH1 3.51Å; E95-R363 PolarHBondContact OE2-NH1 3.38Å; E95-R363 IonicContact OE2-NH2 2.74Å; E95-R363 PolarHBondContact OE2-NH2 3.27Å; N96-R363 PolarHBondContact ND2-NH2 3.3Å; N96-R363 VanDerWaalsContact ND2-NH2 3.19Å; G109-R363 PolarHBondContact O-NH1 3.45Å; G112-R363 WeakPolarHBondContact O-CD 3.24Å; G112-R363 WeakPolarHBondContact O-CG 3.46Å; T114-R363 HydrophobicContact CG2-CG 3.57Å; F359-R363 PolarHBondContact O-N 2.84Å; Q360-R363 PolarHBondContact O-N 2.79Å; R363-A365 VanDerWaalsContact C-N 3.33Å; R363-A365 PolarHBondContact O-N 3.13Å; R363-I366 PolarHBondContact O-N 3.46Å; R363-F367 HydrophobicContact CG-CD2 4.1Å; R363-F367 HydrophobicContact CG-CE2 4.49Å; R363-F367 WeakPolarHBondContact O-CD2 3.32Å; R363-F367 PolarHBondContact O-N 2.79Å; R363-F367 VanDerWaalsContact O-N 3.14Å
364	L	88.2	Confident	89.7	Confident	78 Å²	78	52.5 Å²	52.5	41%	0.408	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-38.4	176.4	-66.6	172.4	0	0	0	112.1	Q360 K361 F362 I366 F367 E368 S369	Q360-L364 WeakPolarHBondContact O-CG 3.44Å; Q360-L364 PolarHBondContact O-N 2.98Å; Q360-L364 VanDerWaalsContact O-N 3.14Å; K361-L364 PolarHBondContact O-N 3.44Å; F362-L364 VanDerWaalsContact C-N 3.34Å; F362-L364 PolarHBondContact O-N 3.14Å; L364-I366 VanDerWaalsContact C-N 3.35Å; L364-I366 PolarHBondContact O-N 2.74Å; L364-F367 PolarHBondContact O-N 2.88Å; L364-E368 VanDerWaalsContact CD2-CD 3.5Å; L364-E368 HydrophobicContact CD2-CG 4.2Å; L364-E368 WeakPolarHBondContact CD2-OE2 3.43Å; L364-E368 CarbonylContact O-C 3.47Å; L364-E368 WeakPolarHBondContact O-CA 3.29Å; L364-E368 WeakPolarHBondContact O-CB 3.48Å; L364-E368 PolarHBondContact O-N 3.34Å; L364-S369 PolarHBondContact O-N 3.14Å
365	A	87.6	Confident	89.3	Confident	3 Å²	3	57.7 Å²	57.7	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-41.7	177.3	0	0	0	0	0	111.7	K361 F362 R363 S369 W374 N377	K361-A365 WeakPolarHBondContact O-CB 3.31Å; K361-A365 PolarHBondContact O-N 3.1Å; F362-A365 WeakPolarHBondContact O-CB 3.25Å; F362-A365 PolarHBondContact O-N 3.06Å; F362-A365 VanDerWaalsContact O-N 3.14Å; R363-A365 VanDerWaalsContact C-N 3.33Å; R363-A365 PolarHBondContact O-N 3.13Å; A365-S369 WeakPolarHBondContact O-CB 3.32Å; A365-W374 PolarHBondContact O-NE1 2.85Å; A365-N377 HydrophobicContact CB-CB 3.8Å
366	I	83.6	Confident	88.9	Confident	25 Å²	25	62.9 Å²	62.9	13%	0.128	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-44.3	179.3	-67.9	170.3	0	0	0	111.7	F362 R363 L364 L568 C574	F362-I366 HydrophobicContact CD1-CD1 3.92Å; F362-I366 HydrophobicContact CD2-CD1 4.07Å; F362-I366 HydrophobicContact CE1-CD1 3.5Å; F362-I366 VanDerWaalsContact CE1-CD1 3.5Å; F362-I366 HydrophobicContact CE2-CD1 3.67Å; F362-I366 HydrophobicContact CE2-CG1 4.41Å; F362-I366 HydrophobicContact CG-CD1 4.22Å; F362-I366 HydrophobicContact CZ-CD1 3.42Å; F362-I366 VanDerWaalsContact CZ-CD1 3.42Å; F362-I366 WeakPolarHBondContact O-CG1 3.38Å; F362-I366 PolarHBondContact O-N 3.31Å; R363-I366 PolarHBondContact O-N 3.46Å; L364-I366 VanDerWaalsContact C-N 3.35Å; L364-I366 PolarHBondContact O-N 2.74Å; I366-L568 HydrophobicContact CD1-CD1 3.84Å; I366-L568 HydrophobicContact CD1-CD2 3.95Å; I366-L568 HydrophobicContact CG1-CD2 4.31Å; I366-C574 WeakPolarHBondContact CG2-SG 3.45Å
367	F	78.6	Confident	88.7	Confident	54 Å²	54	63.2 Å²	63.2	24%	0.237	32%	0.323	C	S	.	.	H	α-helix	trans	-107.9	-16.5	-165.1	-70.4	-77	0	0	0	116.1	G112 T114 K116 R363 L364 Y573	G112-F367 WeakPolarHBondContact O-CE2 3.44Å; T114-F367 HydrophobicContact CG2-CB 4.27Å; T114-F367 HydrophobicContact CG2-CD2 3.55Å; T114-F367 HydrophobicContact CG2-CE2 3.9Å; T114-F367 HydrophobicContact CG2-CG 3.91Å; T114-F367 HydrophobicContact CG2-CZ 4.48Å; T114-F367 WeakPolarHBondContact OG1-CB 3.35Å; T114-F367 WeakPolarHBondContact OG1-CD1 3.41Å; T114-F367 WeakPolarHBondContact OG1-CD2 3.44Å; T114-F367 VanDerWaalsContact OG1-CE1 3.32Å; T114-F367 WeakPolarHBondContact OG1-CE1 3.36Å; T114-F367 WeakPolarHBondContact OG1-CG 3.46Å; K116-F367 PolarHBondContact NZ-O 2.81Å; R363-F367 HydrophobicContact CG-CD2 4.1Å; R363-F367 HydrophobicContact CG-CE2 4.49Å; R363-F367 WeakPolarHBondContact O-CD2 3.32Å; R363-F367 PolarHBondContact O-N 2.79Å; R363-F367 VanDerWaalsContact O-N 3.14Å; L364-F367 PolarHBondContact O-N 2.88Å; F367-Y573 WeakPolarHBondContact CZ-O 3.39Å
368	E	79.6	Confident	88.3	Confident	78 Å²	78	58.1 Å²	58.1	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-125.1	-11.7	-175.6	-57.5	-168.1	-178.3	0	0	113	R100 L364	R100-E368 IonicContact CZ-OE1 2.86Å; R100-E368 IonicContact CZ-OE2 3.58Å; R100-E368 VanDerWaalsContact NH1-CD 3.31Å; R100-E368 IonicContact NH1-OE1 3.24Å; R100-E368 PolarHBondContact NH1-OE1 3.42Å; R100-E368 IonicContact NH1-OE2 3.62Å; R100-E368 PolarHBondContact NH1-OE2 3.05Å; R100-E368 IonicContact NH2-OE1 2.72Å; R100-E368 IonicContact NH2-OE2 2.77Å; L364-E368 VanDerWaalsContact CD2-CD 3.5Å; L364-E368 HydrophobicContact CD2-CG 4.2Å; L364-E368 WeakPolarHBondContact CD2-OE2 3.43Å; L364-E368 CarbonylContact O-C 3.47Å; L364-E368 WeakPolarHBondContact O-CA 3.29Å; L364-E368 WeakPolarHBondContact O-CB 3.48Å; L364-E368 PolarHBondContact O-N 3.34Å
369	S	81.2	Confident	88	Confident	21 Å²	21	63.8 Å²	63.8	15%	0.147	33%	0.331	C	S	.	.			trans	-70.1	132.9	-179.5	-174.2	0	0	0	0	111.9	L364 A365 W374 N377	L364-S369 PolarHBondContact O-N 3.14Å; A365-S369 WeakPolarHBondContact O-CB 3.32Å; S369-W374 VanDerWaalsContact OG-CA 3.27Å; S369-W374 WeakPolarHBondContact OG-CA 3.37Å; S369-W374 PolarHBondContact OG-N 3.35Å; S369-N377 PolarHBondContact OG-ND2 3.41Å
370	P	84.6	Confident	87.9	Confident	86 Å²	86	66.7 Å²	66.7	56%	0.558	35%	0.35	S	S	*	.			trans	-56.1	146.2	162.7	-21.4	32.3	0	0	0	111.4	G372 T373 W374	P370-G372 VanDerWaalsContact C-N 3.29Å; P370-G372 PolarHBondContact O-N 2.89Å; P370-T373 PolarHBondContact O-N 2.73Å; P370-T373 VanDerWaalsContact O-N 3.11Å; P370-T373 PolarHBondContact O-OG1 3.14Å; P370-W374 PolarHBondContact O-N 3.09Å
371	E	81.4	Confident	87.9	Confident	165 Å²	165	64.2 Å²	64.2	77%	0.771	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-53.8	-44.1	-179.6	-70.5	175.9	-167	0	0	112.4	T373 W374	E371-T373 PolarHBondContact O-N 3.32Å; E371-W374 WeakPolarHBondContact O-CB 3.24Å; E371-W374 PolarHBondContact O-N 3.44Å
372	G	88.7	Confident	87.9	Confident	82 Å²	82	64.1 Å²	64.1	85%	0.845	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-66.5	-18.8	-178	0	0	0	0	0	115.3	P370	P370-G372 VanDerWaalsContact C-N 3.29Å; P370-G372 PolarHBondContact O-N 2.89Å
373	T	90.3	Very high	88	Confident	49 Å²	49	64.1 Å²	64.1	30%	0.301	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-116.6	5.6	179.2	55.3	0	0	0	0	112.8	P370 E371 F375 Q376 N377	P370-T373 PolarHBondContact O-N 2.73Å; P370-T373 VanDerWaalsContact O-N 3.11Å; P370-T373 PolarHBondContact O-OG1 3.14Å; E371-T373 PolarHBondContact O-N 3.32Å; T373-F375 PolarHBondContact O-N 2.85Å; T373-Q376 WeakPolarHBondContact O-CB 3.43Å; T373-Q376 PolarHBondContact O-N 3.43Å; T373-N377 WeakPolarHBondContact O-CB 3.48Å; T373-N377 PolarHBondContact O-N 2.85Å; T373-N377 PolarHBondContact O-ND2 3.12Å
374	W	87.9	Confident	88.1	Confident	60 Å²	60	64.3 Å²	64.3	23%	0.227	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-50.8	-174.1	-173	87.5	0	0	0	113	A365 S369 P370 E371 Q376 N377 L378	A365-W374 PolarHBondContact O-NE1 2.85Å; S369-W374 VanDerWaalsContact OG-CA 3.27Å; S369-W374 WeakPolarHBondContact OG-CA 3.37Å; S369-W374 PolarHBondContact OG-N 3.35Å; P370-W374 PolarHBondContact O-N 3.09Å; E371-W374 WeakPolarHBondContact O-CB 3.24Å; E371-W374 PolarHBondContact O-N 3.44Å; W374-Q376 VanDerWaalsContact C-N 3.33Å; W374-Q376 PolarHBondContact O-N 2.85Å; W374-N377 PolarHBondContact O-N 2.98Å; W374-L378 HydrophobicContact CH2-CD2 3.87Å; W374-L378 HydrophobicContact CZ2-CD2 4.49Å; W374-L378 HydrophobicContact CZ3-CD2 4.01Å; W374-L378 WeakPolarHBondContact O-CB 3.5Å; W374-L378 PolarHBondContact O-N 3.45Å
375	F	88.7	Confident	88.3	Confident	158 Å²	158	63.6 Å²	63.6	69%	0.693	34%	0.336	S	S	*	.	H	α-helix	trans	-62.6	-38.7	178.2	-66.8	-75	0	0	0	112.7	T373 L378 E379	T373-F375 PolarHBondContact O-N 2.85Å; F375-L378 PolarHBondContact O-N 2.77Å; F375-E379 PolarHBondContact O-N 3.45Å
376	Q	91.2	Very high	88.7	Confident	117 Å²	117	65.3 Å²	65.3	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-41.6	176	-175.7	-176.8	4.6	0	0	111.3	T373 W374 E379 T380	T373-Q376 WeakPolarHBondContact O-CB 3.43Å; T373-Q376 PolarHBondContact O-N 3.43Å; W374-Q376 VanDerWaalsContact C-N 3.33Å; W374-Q376 PolarHBondContact O-N 2.85Å; Q376-E379 PolarHBondContact O-N 3.42Å; Q376-T380 HydrophobicContact CG-CG2 4.48Å; Q376-T380 WeakPolarHBondContact O-CB 3.07Å; Q376-T380 VanDerWaalsContact O-CG2 3.25Å; Q376-T380 WeakPolarHBondContact O-CG2 3.32Å; Q376-T380 PolarHBondContact O-N 3.04Å; Q376-T380 PolarHBondContact O-OG1 3.29Å
377	N	91.7	Very high	89.2	Confident	55 Å²	55	64.2 Å²	64.2	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-68.6	-35.8	177.3	-73.4	-25.6	0	0	0	111.9	A365 S369 T373 W374 T380 C381	A365-N377 HydrophobicContact CB-CB 3.8Å; S369-N377 PolarHBondContact OG-ND2 3.41Å; T373-N377 WeakPolarHBondContact O-CB 3.48Å; T373-N377 PolarHBondContact O-N 2.85Å; T373-N377 PolarHBondContact O-ND2 3.12Å; W374-N377 PolarHBondContact O-N 2.98Å; N377-T380 WeakPolarHBondContact CA-OG1 3.32Å; N377-T380 PolarHBondContact O-OG1 3.5Å; N377-C381 WeakPolarHBondContact O-CB 3.32Å; N377-C381 PolarHBondContact O-N 2.81Å
378	L	87.9	Confident	89.9	Confident	28 Å²	28	62.2 Å²	62.2	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-39.2	173.3	-170.3	68.4	0	0	0	112	F362 W374 F375 C381 L384	F362-L378 HydrophobicContact CD2-CD1 3.83Å; F362-L378 HydrophobicContact CE2-CD1 3.92Å; W374-L378 HydrophobicContact CH2-CD2 3.87Å; W374-L378 HydrophobicContact CZ2-CD2 4.49Å; W374-L378 HydrophobicContact CZ3-CD2 4.01Å; W374-L378 WeakPolarHBondContact O-CB 3.5Å; W374-L378 PolarHBondContact O-N 3.45Å; F375-L378 PolarHBondContact O-N 2.77Å; L378-C381 PolarHBondContact O-SG 3.41Å; L378-L384 HydrophobicContact CD2-CD1 4.48Å
379	E	89.9	Confident	90.6	Very high	123 Å²	123	60.4 Å²	60.4	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-66.8	-49.1	174.8	-175.9	-179.5	-175.8	0	0	111.5	F375 Q376 C381 Q382	F375-E379 PolarHBondContact O-N 3.45Å; Q376-E379 PolarHBondContact O-N 3.42Å; E379-C381 VanDerWaalsContact C-N 3.25Å; E379-C381 PolarHBondContact O-N 3.31Å; E379-Q382 PolarHBondContact O-N 2.76Å; E379-Q382 VanDerWaalsContact O-N 3.09Å; E379-Q382 PolarHBondContact O-NE2 3.04Å
380	T	93.6	Very high	91.3	Very high	71 Å²	71	59.5 Å²	59.5	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-70.3	-17.4	-176.2	56.5	0	0	0	0	114.1	Q376 N377 Q382	Q376-T380 HydrophobicContact CG-CG2 4.48Å; Q376-T380 WeakPolarHBondContact O-CB 3.07Å; Q376-T380 VanDerWaalsContact O-CG2 3.25Å; Q376-T380 WeakPolarHBondContact O-CG2 3.32Å; Q376-T380 PolarHBondContact O-N 3.04Å; Q376-T380 PolarHBondContact O-OG1 3.29Å; N377-T380 WeakPolarHBondContact CA-OG1 3.32Å; N377-T380 PolarHBondContact O-OG1 3.5Å; T380-Q382 VanDerWaalsContact C-N 3.29Å
381	C	94.5	Very high	91.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-72.4	-22	171.6	83.4	0	0	0	0	113.2	S358 K361 F362 N377 L378 E379 W383	S358-C381 WeakPolarHBondContact CA-O 3.29Å; S358-C381 VanDerWaalsContact CB-O 3.24Å; S358-C381 WeakPolarHBondContact CB-O 3.48Å; S358-C381 PolarHBondContact OG-O 3.06Å; K361-C381 HydrophobicContact CB-CB 3.53Å; F362-C381 HydrophobicContact CB-CB 4.13Å; N377-C381 WeakPolarHBondContact O-CB 3.32Å; N377-C381 PolarHBondContact O-N 2.81Å; L378-C381 PolarHBondContact O-SG 3.41Å; E379-C381 VanDerWaalsContact C-N 3.25Å; E379-C381 PolarHBondContact O-N 3.31Å; C381-W383 PolarHBondContact O-N 2.86Å; C381-W383 VanDerWaalsContact O-N 3.14Å
382	Q	94.7	Very high	92.5	Very high	71 Å²	71	50.8 Å²	50.8	33%	0.332	28%	0.277	S	S	.	.			trans	62.3	10.4	178.4	-60.6	-73	-64.4	0	0	115.9	E379 T380 L384 H385 H386	E379-Q382 PolarHBondContact O-N 2.76Å; E379-Q382 VanDerWaalsContact O-N 3.09Å; E379-Q382 PolarHBondContact O-NE2 3.04Å; T380-Q382 VanDerWaalsContact C-N 3.29Å; Q382-L384 PolarHBondContact O-N 3.35Å; Q382-H385 HydrophobicContact CB-CB 4.36Å; Q382-H385 PolarHBondContact NE2-CE1 3.42Å; Q382-H385 PolarHBondContact NE2-ND1 2.97Å; Q382-H385 WeakPolarHBondContact O-CB 3.16Å; Q382-H385 PolarHBondContact O-N 2.76Å; Q382-H385 VanDerWaalsContact O-N 3.14Å; Q382-H386 PolarHBondContact O-CD2 2.97Å; Q382-H386 VanDerWaalsContact O-CD2 3.29Å; Q382-H386 PolarHBondContact O-N 2.98Å
383	W	94.5	Very high	92.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-53	-178	-177.7	-111.7	0	0	0	112.1	I355 S358 F359 F362 C381 H385 H386 L387 P471 Q475 D478	I355-W383 HydrophobicContact CG2-CZ3 3.97Å; S358-W383 WeakPolarHBondContact OG-CA 3.27Å; S358-W383 PolarHBondContact OG-N 3.16Å; F359-W383 HydrophobicContact CB-CE3 4Å; F359-W383 HydrophobicContact CB-CH2 4.39Å; F359-W383 HydrophobicContact CB-CZ3 3.73Å; F359-W383 HydrophobicContact CD2-CD2 4.01Å; F359-W383 AromaticContact CD2-CE2 3.94Å; F359-W383 AromaticContact CD2-CE3 3.86Å; F359-W383 HydrophobicContact CD2-CE3 3.86Å; F359-W383 AromaticContact CD2-CH2 3.57Å; F359-W383 HydrophobicContact CD2-CH2 3.57Å; F359-W383 AromaticContact CD2-CZ2 3.74Å; F359-W383 HydrophobicContact CD2-CZ2 3.74Å; F359-W383 AromaticContact CD2-CZ3 3.64Å; F359-W383 HydrophobicContact CD2-CZ3 3.64Å; F359-W383 HydrophobicContact CE2-CH2 4.19Å; F359-W383 HydrophobicContact CE2-CZ2 4.04Å; F359-W383 HydrophobicContact CG-CE3 4.43Å; F359-W383 HydrophobicContact CG-CH2 4.26Å; F359-W383 HydrophobicContact CG-CZ3 4.07Å; F362-W383 HydrophobicContact CB-CB 3.95Å; F362-W383 HydrophobicContact CB-CG 4.32Å; F362-W383 HydrophobicContact CD1-CG 4.31Å; F362-W383 HydrophobicContact CD2-CB 3.74Å; F362-W383 AromaticContact CD2-CD1 3.84Å; F362-W383 AromaticContact CD2-CG 3.93Å; F362-W383 HydrophobicContact CD2-CG 3.93Å; F362-W383 HydrophobicContact CE2-CB 4.31Å; F362-W383 AromaticContact CE2-CD1 3.57Å; F362-W383 HydrophobicContact CE2-CG 4.13Å; F362-W383 HydrophobicContact CG-CB 3.93Å; F362-W383 AromaticContact CG-CG 3.96Å; F362-W383 HydrophobicContact CG-CG 3.96Å; F362-W383 AromaticContact CZ-CD1 3.6Å; F362-W383 HydrophobicContact CZ-CG 4.36Å; F362-W383 AromaticContact CZ-NE1 3.98Å; C381-W383 PolarHBondContact O-N 2.86Å; C381-W383 VanDerWaalsContact O-N 3.14Å; W383-H385 VanDerWaalsContact C-N 3.26Å; W383-H385 PolarHBondContact O-N 2.74Å; W383-H386 WeakPolarHBondContact O-CB 3.46Å; W383-H386 PolarHBondContact O-N 2.75Å; W383-L387 HydrophobicContact CZ2-CD2 4.2Å; W383-L387 PolarHBondContact O-N 3.25Å; W383-P471 HydrophobicContact CH2-CB 4.46Å; W383-P471 HydrophobicContact CH2-CG 4.02Å; W383-P471 HydrophobicContact CZ3-CG 4.12Å; W383-Q475 HydrophobicContact CH2-CB 3.64Å; W383-Q475 HydrophobicContact CH2-CG 3.87Å; W383-Q475 HydrophobicContact CZ2-CB 4.11Å; W383-Q475 HydrophobicContact CZ2-CG 4.21Å; W383-Q475 HydrophobicContact CZ3-CB 4.48Å; W383-Q475 HydrophobicContact CZ3-CG 4.4Å; W383-D478 PolarHBondContact NE1-OD2 3.43Å
384	L	91.4	Very high	93.2	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.131	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-33	177.5	-61.5	-180	0	0	0	112.8	L378 Q382 H386 L387 C388	L378-L384 HydrophobicContact CD2-CD1 4.48Å; Q382-L384 PolarHBondContact O-N 3.35Å; L384-H386 VanDerWaalsContact C-N 3.34Å; L384-L387 HydrophobicContact CD2-CD1 3.99Å; L384-L387 PolarHBondContact O-N 2.8Å; L384-C388 WeakPolarHBondContact O-CB 3.43Å; L384-C388 PolarHBondContact O-N 3.02Å
385	H	92.8	Very high	93.6	Very high	62 Å²	62	43.1 Å²	43.1	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-41.6	174.7	-68.2	83.6	0	0	0	111	Q382 W383 A389 L562	Q382-H385 HydrophobicContact CB-CB 4.36Å; Q382-H385 PolarHBondContact NE2-CE1 3.42Å; Q382-H385 PolarHBondContact NE2-ND1 2.97Å; Q382-H385 WeakPolarHBondContact O-CB 3.16Å; Q382-H385 PolarHBondContact O-N 2.76Å; Q382-H385 VanDerWaalsContact O-N 3.14Å; W383-H385 VanDerWaalsContact C-N 3.26Å; W383-H385 PolarHBondContact O-N 2.74Å; H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 3.41Å; H385-L562 HydrophobicContact CB-CD1 4.32Å
386	H	95.5	Very high	94	Very high	39 Å²	39	37.4 Å²	37.4	18%	0.181	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-36.7	176.7	-63.8	-37.3	0	0	0	113	I355 S358 Q382 W383 L384 L390	I355-H386 HydrophobicContact CD1-CB 3.75Å; S358-H386 PolarHBondContact OG-CD2 2.77Å; S358-H386 VanDerWaalsContact OG-CD2 3.3Å; Q382-H386 PolarHBondContact O-CD2 2.97Å; Q382-H386 VanDerWaalsContact O-CD2 3.29Å; Q382-H386 PolarHBondContact O-N 2.98Å; W383-H386 WeakPolarHBondContact O-CB 3.46Å; W383-H386 PolarHBondContact O-N 2.75Å; L384-H386 VanDerWaalsContact C-N 3.34Å; H386-L390 WeakPolarHBondContact O-CB 3.23Å; H386-L390 PolarHBondContact O-N 2.92Å; H386-L390 VanDerWaalsContact O-N 3.08Å
387	L	94.4	Very high	94.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-49.8	172.8	-61.3	178.3	0	0	0	111.2	W383 L384 A389 L390 L391 Q475 D478 M565	W383-L387 HydrophobicContact CZ2-CD2 4.2Å; W383-L387 PolarHBondContact O-N 3.25Å; L384-L387 HydrophobicContact CD2-CD1 3.99Å; L384-L387 PolarHBondContact O-N 2.8Å; L387-A389 PolarHBondContact O-N 2.86Å; L387-L390 PolarHBondContact O-N 3.47Å; L387-L391 PolarHBondContact O-N 3.26Å; L387-Q475 HydrophobicContact CD2-CB 4.49Å; L387-Q475 HydrophobicContact CD2-CG 3.54Å; L387-Q475 WeakPolarHBondContact CD2-O 3.47Å; L387-D478 HydrophobicContact CD1-CB 4.32Å; L387-D478 VanDerWaalsContact CD1-OD2 3.29Å; L387-D478 WeakPolarHBondContact CD1-OD2 3.35Å; L387-D478 HydrophobicContact CD2-CB 3.96Å; L387-M565 HydrophobicContact CB-CE 3.49Å; L387-M565 VanDerWaalsContact CB-CE 3.49Å; L387-M565 HydrophobicContact CD1-CE 4.2Å; L387-M565 HydrophobicContact CG-CE 4.5Å
388	C	93.2	Very high	94.6	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.088	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-45.4	179	-175.4	0	0	0	0	111.6	L384 L390 L391 N392 L562 M565	L384-C388 WeakPolarHBondContact O-CB 3.43Å; L384-C388 PolarHBondContact O-N 3.02Å; C388-L390 VanDerWaalsContact C-N 3.32Å; C388-L390 PolarHBondContact O-N 3.27Å; C388-L391 PolarHBondContact O-N 2.88Å; C388-N392 WeakPolarHBondContact O-CB 3.48Å; C388-N392 PolarHBondContact O-N 2.64Å; C388-N392 PolarHBondContact O-ND2 3.29Å; C388-N392 VanDerWaalsContact O-ND2 3.15Å; C388-N392 PolarHBondContact SG-ND2 2.96Å; C388-N392 VanDerWaalsContact SG-ND2 3.4Å; C388-L562 HydrophobicContact CB-CD1 4.03Å; C388-M565 HydrophobicContact CB-CG 4.45Å
389	A	94.9	Very high	95	Very high	40 Å²	40	32.2 Å²	32.2	33%	0.331	17%	0.167	S	C	.	.	H	α-helix	trans	-60.3	-41.1	176.5	0	0	0	0	0	112.3	L349 H385 L387 A393	L349-A389 HydrophobicContact CD2-CB 3.77Å; H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 3.41Å; L387-A389 PolarHBondContact O-N 2.86Å; A389-A393 WeakPolarHBondContact O-CB 3.46Å; A389-A393 PolarHBondContact O-N 3.31Å
390	L	96.3	Very high	95.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-43.4	179	175.3	60.1	0	0	0	112.6	L349 H386 L387 C388 A393 S394 Q421 I422 L425 Q475	L349-L390 HydrophobicContact CD1-CD1 4.08Å; H386-L390 WeakPolarHBondContact O-CB 3.23Å; H386-L390 PolarHBondContact O-N 2.92Å; H386-L390 VanDerWaalsContact O-N 3.08Å; L387-L390 PolarHBondContact O-N 3.47Å; C388-L390 VanDerWaalsContact C-N 3.32Å; C388-L390 PolarHBondContact O-N 3.27Å; L390-A393 PolarHBondContact O-N 3.39Å; L390-S394 PolarHBondContact O-N 2.97Å; L390-S394 PolarHBondContact O-OG 3.2Å; L390-Q421 HydrophobicContact CD1-CB 3.57Å; L390-Q421 HydrophobicContact CD2-CB 3.93Å; L390-Q421 HydrophobicContact CD2-CG 4.26Å; L390-Q421 HydrophobicContact CG-CB 4.32Å; L390-I422 HydrophobicContact CD1-CG1 3.98Å; L390-L425 HydrophobicContact CD1-CD1 4.33Å; L390-L425 HydrophobicContact CD2-CD1 4.13Å; L390-L425 HydrophobicContact CG-CD1 3.79Å; L390-Q475 HydrophobicContact CD2-CG 4.27Å
391	L	94.8	Very high	95.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-41.8	175.7	-79	166	0	0	0	111.5	L387 C388 A393 S394 L395 L425 C479 Y482 L483 L560 M565	L387-L391 PolarHBondContact O-N 3.26Å; C388-L391 PolarHBondContact O-N 2.88Å; L391-A393 VanDerWaalsContact C-N 3.33Å; L391-A393 PolarHBondContact O-N 3.33Å; L391-S394 CarbonylContact O-C 3.5Å; L391-S394 WeakPolarHBondContact O-CA 3.41Å; L391-S394 WeakPolarHBondContact O-CB 3.44Å; L391-S394 PolarHBondContact O-N 3.17Å; L391-L395 PolarHBondContact O-N 3.46Å; L391-L425 HydrophobicContact CD2-CD1 4.19Å; L391-L425 HydrophobicContact CD2-CD2 4.15Å; L391-C479 HydrophobicContact CD1-CB 4.14Å; L391-C479 HydrophobicContact CD2-CB 3.81Å; L391-C479 HydrophobicContact CG-CB 3.79Å; L391-Y482 HydrophobicContact CD1-CD1 3.68Å; L391-Y482 HydrophobicContact CD1-CE1 4.29Å; L391-Y482 HydrophobicContact CD1-CG 4.3Å; L391-L483 HydrophobicContact CD2-CD1 4.11Å; L391-L483 HydrophobicContact CD2-CD2 4.17Å; L391-L483 HydrophobicContact CD2-CG 4.08Å; L391-L560 HydrophobicContact CB-CD1 3.3Å; L391-L560 HydrophobicContact CB-CD2 4.25Å; L391-L560 HydrophobicContact CB-CG 4.43Å; L391-L560 HydrophobicContact CD1-CD1 4.5Å; L391-L560 HydrophobicContact CD1-CD2 3.96Å; L391-L560 HydrophobicContact CG-CD1 4.42Å; L391-M565 HydrophobicContact CD1-CE 3.47Å; L391-M565 VanDerWaalsContact CD1-CE 3.47Å; L391-M565 HydrophobicContact CD1-SD 3.66Å
392	N	94.8	Very high	95.4	Very high	67 Å²	67	26.2 Å²	26.2	36%	0.358	13%	0.133	S	C	.	.	H	α-helix	trans	-60.6	-40.3	174.7	-79.6	-37	0	0	0	112.6	C388 S394 L395 R396 L560	C388-N392 WeakPolarHBondContact O-CB 3.48Å; C388-N392 PolarHBondContact O-N 2.64Å; C388-N392 PolarHBondContact O-ND2 3.29Å; C388-N392 VanDerWaalsContact O-ND2 3.15Å; C388-N392 PolarHBondContact SG-ND2 2.96Å; C388-N392 VanDerWaalsContact SG-ND2 3.4Å; N392-S394 PolarHBondContact O-N 3.37Å; N392-L395 PolarHBondContact O-N 2.91Å; N392-R396 PolarHBondContact O-N 3.4Å; N392-L560 WeakPolarHBondContact OD1-CD1 3.49Å
393	A	97.6	Very high	95.4	Very high	6 Å²	6	27.2 Å²	27.2	5%	0.05	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-36.5	173.3	0	0	0	0	0	112.2	L347 L349 A389 L390 L391 V397 I422	L347-A393 HydrophobicContact CD1-CB 3.81Å; L349-A393 HydrophobicContact CD1-CB 4.06Å; L349-A393 HydrophobicContact CD2-CB 4.37Å; A389-A393 WeakPolarHBondContact O-CB 3.46Å; A389-A393 PolarHBondContact O-N 3.31Å; L390-A393 PolarHBondContact O-N 3.39Å; L391-A393 VanDerWaalsContact C-N 3.33Å; L391-A393 PolarHBondContact O-N 3.33Å; A393-V397 PolarHBondContact O-N 3.22Å; A393-I422 HydrophobicContact CB-CD1 4.15Å; A393-I422 HydrophobicContact CB-CG1 4.01Å
394	S	97.9	Very high	95.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-75.2	-39.9	178.1	-49.5	0	0	0	0	111.6	L390 L391 N392 R396 V397 V398 L425	L390-S394 PolarHBondContact O-N 2.97Å; L390-S394 PolarHBondContact O-OG 3.2Å; L391-S394 CarbonylContact O-C 3.5Å; L391-S394 WeakPolarHBondContact O-CA 3.41Å; L391-S394 WeakPolarHBondContact O-CB 3.44Å; L391-S394 PolarHBondContact O-N 3.17Å; N392-S394 PolarHBondContact O-N 3.37Å; S394-R396 VanDerWaalsContact C-N 3.28Å; S394-R396 PolarHBondContact O-N 3.17Å; S394-V397 VanDerWaalsContact O-CB 3.31Å; S394-V397 WeakPolarHBondContact O-CB 3.33Å; S394-V397 PolarHBondContact O-N 2.78Å; S394-V397 VanDerWaalsContact O-N 3.13Å; S394-V398 WeakPolarHBondContact O-CG2 3.24Å; S394-V398 PolarHBondContact O-N 2.82Å; S394-V398 VanDerWaalsContact O-N 3.1Å; S394-L425 VanDerWaalsContact OG-CB 3.23Å; S394-L425 WeakPolarHBondContact OG-CB 3.35Å; S394-L425 WeakPolarHBondContact OG-CD1 3.25Å
395	L	96.1	Very high	95.4	Very high	24 Å²	24	28.6 Å²	28.6	13%	0.126	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-35.9	172	-75.7	-179.6	0	0	0	112.7	L391 N392 V397 V398 E399 L429 S558 L560	L391-L395 PolarHBondContact O-N 3.46Å; N392-L395 PolarHBondContact O-N 2.91Å; L395-V397 PolarHBondContact O-N 2.71Å; L395-V398 WeakPolarHBondContact O-CA 3.43Å; L395-V398 WeakPolarHBondContact O-CB 3.41Å; L395-V398 PolarHBondContact O-N 2.78Å; L395-E399 WeakPolarHBondContact O-CB 3.49Å; L395-E399 PolarHBondContact O-N 3.26Å; L395-L429 HydrophobicContact CD2-CD1 3.96Å; L395-L429 HydrophobicContact CG-CD1 4.43Å; L395-S558 WeakPolarHBondContact CD1-O 3.47Å; L395-L560 HydrophobicContact CD1-CB 4.39Å; L395-L560 HydrophobicContact CD1-CD1 3.23Å; L395-L560 HydrophobicContact CD1-CG 3.64Å; L395-L560 HydrophobicContact CG-CD1 3.93Å
396	R	96.9	Very high	95.5	Very high	38 Å²	38	25.8 Å²	25.8	14%	0.143	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-38.1	174.4	179.1	64	-165.8	112.9	-1.4	111.9	L315 Q345 N392 S394 A400 E404	L315-R396 HydrophobicContact CD1-CG 4.17Å; L315-R396 HydrophobicContact CD2-CG 4.38Å; Q345-R396 VanDerWaalsContact OE1-NE 3.09Å; N392-R396 PolarHBondContact O-N 3.4Å; S394-R396 VanDerWaalsContact C-N 3.28Å; S394-R396 PolarHBondContact O-N 3.17Å; R396-A400 WeakPolarHBondContact O-CB 3.5Å; R396-A400 PolarHBondContact O-N 2.9Å; R396-A400 VanDerWaalsContact O-N 3.09Å; R396-E404 IonicContact CZ-OE1 3.91Å; R396-E404 IonicContact NH1-OE1 2.88Å; R396-E404 PolarHBondContact NH1-OE1 3.16Å; R396-E404 IonicContact NH1-OE2 2.97Å; R396-E404 IonicContact NH2-OE1 2.89Å; R396-E404 IonicContact NH2-OE2 3.34Å
397	V	98.5	Very high	95.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-46.3	172.1	177.4	0	0	0	0	110.6	L255 L315 A393 S394 L395 A400 I401 V408 V410 I422 A426	L255-V397 HydrophobicContact CD1-CG1 3.59Å; L255-V397 HydrophobicContact CD2-CG1 4.37Å; L315-V397 HydrophobicContact CD1-CG2 3.6Å; A393-V397 PolarHBondContact O-N 3.22Å; S394-V397 VanDerWaalsContact O-CB 3.31Å; S394-V397 WeakPolarHBondContact O-CB 3.33Å; S394-V397 PolarHBondContact O-N 2.78Å; S394-V397 VanDerWaalsContact O-N 3.13Å; L395-V397 PolarHBondContact O-N 2.71Å; V397-A400 PolarHBondContact O-N 2.98Å; V397-I401 HydrophobicContact CG1-CD1 3.75Å; V397-I401 HydrophobicContact CG1-CG1 4.44Å; V397-I401 WeakPolarHBondContact O-CG1 3.32Å; V397-I401 PolarHBondContact O-N 3.2Å; V397-V408 HydrophobicContact CG1-CB 4.3Å; V397-V408 HydrophobicContact CG1-CG1 4.28Å; V397-V408 HydrophobicContact CG1-CG2 4.41Å; V397-V408 HydrophobicContact CG2-CG1 4.17Å; V397-V410 HydrophobicContact CG2-CG2 3.92Å; V397-I422 HydrophobicContact CG2-CG2 3.65Å; V397-A426 HydrophobicContact CB-CB 3.84Å; V397-A426 HydrophobicContact CG1-CB 3.65Å; V397-A426 HydrophobicContact CG2-CB 4.44Å
398	V	97.4	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-48.5	179.9	179.6	0	0	0	0	110.6	S394 L395 A400 I401 H402 L429 L430 V555 L557	S394-V398 WeakPolarHBondContact O-CG2 3.24Å; S394-V398 PolarHBondContact O-N 2.82Å; S394-V398 VanDerWaalsContact O-N 3.1Å; L395-V398 WeakPolarHBondContact O-CA 3.43Å; L395-V398 WeakPolarHBondContact O-CB 3.41Å; L395-V398 PolarHBondContact O-N 2.78Å; V398-A400 PolarHBondContact O-N 2.88Å; V398-I401 PolarHBondContact O-N 2.91Å; V398-H402 WeakPolarHBondContact O-CB 3.49Å; V398-H402 PolarHBondContact O-N 2.99Å; V398-L429 HydrophobicContact CG2-CB 3.52Å; V398-L429 HydrophobicContact CG2-CD1 3.87Å; V398-L429 HydrophobicContact CG2-CG 4.35Å; V398-L430 HydrophobicContact CB-CD2 4.37Å; V398-L430 HydrophobicContact CB-CG 4.47Å; V398-L430 HydrophobicContact CG1-CD2 3.87Å; V398-L430 HydrophobicContact CG1-CG 4.29Å; V398-L430 HydrophobicContact CG2-CG 4.09Å; V398-V555 HydrophobicContact CG1-CG1 3.54Å; V398-L557 HydrophobicContact CG1-CD2 3.65Å
399	E	95.4	Very high	96.1	Very high	91 Å²	91	23.4 Å²	23.4	43%	0.425	13%	0.125	S	C	.	.	I	π-helix	trans	-60.5	-45.8	178.7	-176.3	175.3	-153.6	0	0	111.6	L395 I401 N403 E404	L395-E399 WeakPolarHBondContact O-CB 3.49Å; L395-E399 PolarHBondContact O-N 3.26Å; E399-I401 PolarHBondContact O-N 3.37Å; E399-N403 HydrophobicContact CG-CB 4.41Å; E399-N403 WeakPolarHBondContact O-CA 3.34Å; E399-N403 WeakPolarHBondContact O-CB 3.43Å; E399-N403 PolarHBondContact O-N 2.76Å; E399-E404 PolarHBondContact O-N 3.12Å; E399-E404 VanDerWaalsContact O-N 3.08Å
400	A	96.4	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-61.3	-43.7	177.8	0	0	0	0	0	112.8	L313 R396 V397 V398 E404 G405 R406 V408	L313-A400 HydrophobicContact CD2-CB 3.66Å; R396-A400 WeakPolarHBondContact O-CB 3.5Å; R396-A400 PolarHBondContact O-N 2.9Å; R396-A400 VanDerWaalsContact O-N 3.09Å; V397-A400 PolarHBondContact O-N 2.98Å; V398-A400 PolarHBondContact O-N 2.88Å; A400-E404 WeakPolarHBondContact CA-OE2 3.48Å; A400-E404 CarbonylContact O-C 3.5Å; A400-E404 WeakPolarHBondContact O-CB 3.47Å; A400-G405 PolarHBondContact O-N 2.77Å; A400-R406 WeakPolarHBondContact O-CB 3.46Å; A400-R406 PolarHBondContact O-N 3.12Å; A400-V408 HydrophobicContact CB-CG2 3.51Å
401	I	96.4	Very high	96.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	I	π-helix	trans	-76.6	-51.1	-178.3	-66.6	177.3	0	0	0	111.4	W246 H248 N251 A253 L255 V397 V398 E399 G405 R406 V408 L430	W246-I401 HydrophobicContact CE3-CG2 4.49Å; W246-I401 HydrophobicContact CH2-CG2 4.41Å; W246-I401 HydrophobicContact CZ3-CG2 3.62Å; H248-I401 HydrophobicContact CB-CG2 4.01Å; N251-I401 PolarHBondContact ND2-O 3.17Å; A253-I401 HydrophobicContact CB-CG2 4.11Å; L255-I401 HydrophobicContact CB-CD1 3.84Å; L255-I401 HydrophobicContact CD1-CD1 4.26Å; V397-I401 HydrophobicContact CG1-CD1 3.75Å; V397-I401 HydrophobicContact CG1-CG1 4.44Å; V397-I401 WeakPolarHBondContact O-CG1 3.32Å; V397-I401 PolarHBondContact O-N 3.2Å; V398-I401 PolarHBondContact O-N 2.91Å; E399-I401 PolarHBondContact O-N 3.37Å; I401-G405 PolarHBondContact O-N 2.82Å; I401-R406 VanDerWaalsContact CA-O 3.32Å; I401-R406 WeakPolarHBondContact CA-O 3.48Å; I401-R406 WeakPolarHBondContact CG1-O 3.22Å; I401-V408 HydrophobicContact CD1-CB 4.37Å; I401-V408 HydrophobicContact CD1-CG2 4.22Å; I401-V408 HydrophobicContact CG1-CB 4.32Å; I401-V408 HydrophobicContact CG1-CG2 3.67Å; I401-L430 HydrophobicContact CB-CD2 4.49Å; I401-L430 HydrophobicContact CD1-CD1 3.96Å; I401-L430 HydrophobicContact CG2-CD1 4.41Å; I401-L430 HydrophobicContact CG2-CD2 4.26Å
402	H	94.5	Very high	96.5	Very high	69 Å²	69	21.6 Å²	21.6	32%	0.319	11%	0.109	S	C	.	.	I	π-helix	trans	-79.8	-49	-170.2	-174	59.9	0	0	0	112.2	H248 V398 L430 V555	H248-H402 AromaticContact CE1-ND1 3.88Å; H248-H402 AromaticContact NE2-CE1 3.96Å; H248-H402 AromaticContact NE2-ND1 3.03Å; H248-H402 PolarHBondContact NE2-ND1 3.09Å; V398-H402 WeakPolarHBondContact O-CB 3.49Å; V398-H402 PolarHBondContact O-N 2.99Å; H402-L430 HydrophobicContact CB-CD2 4.13Å; H402-V555 HydrophobicContact CB-CG1 4.48Å
403	N	92.8	Very high	96.6	Very high	93 Å²	93	19.1 Å²	19.1	50%	0.497	10%	0.098	S	C	.	.	I	π-helix	trans	-88.5	-41	-173.3	-60.9	-9.6	0	0	0	112	E399	E399-N403 HydrophobicContact CG-CB 4.41Å; E399-N403 WeakPolarHBondContact O-CA 3.34Å; E399-N403 WeakPolarHBondContact O-CB 3.43Å; E399-N403 PolarHBondContact O-N 2.76Å
404	E	93.9	Very high	96.6	Very high	44 Å²	44	21.3 Å²	21.3	21%	0.206	11%	0.108	C	C	.	.	S	Bend	trans	-93.9	-8.7	-174.8	-51	166.5	-173.8	0	0	113.2	I302 R396 E399 A400 R406	I302-E404 HydrophobicContact CD1-CG 4.19Å; I302-E404 HydrophobicContact CG1-CB 4.43Å; R396-E404 IonicContact CZ-OE1 3.91Å; R396-E404 IonicContact NH1-OE1 2.88Å; R396-E404 PolarHBondContact NH1-OE1 3.16Å; R396-E404 IonicContact NH1-OE2 2.97Å; R396-E404 IonicContact NH2-OE1 2.89Å; R396-E404 IonicContact NH2-OE2 3.34Å; E399-E404 PolarHBondContact O-N 3.12Å; E399-E404 VanDerWaalsContact O-N 3.08Å; A400-E404 WeakPolarHBondContact CA-OE2 3.48Å; A400-E404 CarbonylContact O-C 3.5Å; A400-E404 WeakPolarHBondContact O-CB 3.47Å; E404-R406 HydrophobicContact CB-CG 4.16Å; E404-R406 PolarHBondContact O-N 3.4Å; E404-R406 IonicContact OE1-NH2 3.19Å; E404-R406 IonicContact OE2-CZ 2.82Å; E404-R406 IonicContact OE2-NE 3.96Å; E404-R406 PolarHBondContact OE2-NE 3.3Å; E404-R406 IonicContact OE2-NH2 3.51Å; E404-R406 PolarHBondContact OE2-NH2 3.14Å
405	G	92.6	Very high	96.5	Very high	10 Å²	10	21.3 Å²	21.3	10%	0.103	11%	0.108	C	C	.	.			trans	65.1	21.3	-178.4	0	0	0	0	0	114.5	N300 A400 I401	N300-G405 WeakPolarHBondContact CB-O 3.19Å; A400-G405 PolarHBondContact O-N 2.77Å; I401-G405 PolarHBondContact O-N 2.82Å
406	R	95	Very high	96.6	Very high	2 Å²	2	21 Å²	21	1%	0.008	11%	0.106	C	C	.	.			trans	-95.2	141.8	-177.6	-66.8	-161.6	-71.2	173.5	-8.4	112.3	K310 P311 E343 A400 I401 E404	K310-R406 WeakPolarHBondContact O-CD 3.44Å; P311-R406 WeakPolarHBondContact O-CA 3.37Å; E343-R406 IonicContact OE2-CZ 2.86Å; E343-R406 IonicContact OE2-NH1 3.17Å; E343-R406 PolarHBondContact OE2-NH1 3.33Å; E343-R406 IonicContact OE2-NH2 2.75Å; E343-R406 PolarHBondContact OE2-NH2 3.03Å; A400-R406 WeakPolarHBondContact O-CB 3.46Å; A400-R406 PolarHBondContact O-N 3.12Å; I401-R406 VanDerWaalsContact CA-O 3.32Å; I401-R406 WeakPolarHBondContact CA-O 3.48Å; I401-R406 WeakPolarHBondContact CG1-O 3.22Å; E404-R406 HydrophobicContact CB-CG 4.16Å; E404-R406 PolarHBondContact O-N 3.4Å; E404-R406 IonicContact OE1-NH2 3.19Å; E404-R406 IonicContact OE2-CZ 2.82Å; E404-R406 IonicContact OE2-NE 3.96Å; E404-R406 PolarHBondContact OE2-NE 3.3Å; E404-R406 IonicContact OE2-NH2 3.51Å; E404-R406 PolarHBondContact OE2-NH2 3.14Å
407	S	98	Very high	96.7	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.028	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	150.4	166.2	-62	0	0	0	0	109.9	V254 P311 L312 L313	V254-S407 PolarHBondContact N-OG 3.39Å; V254-S407 CarbonylContact O-C 2.85Å; V254-S407 VanDerWaalsContact O-CA 3.26Å; V254-S407 WeakPolarHBondContact O-CA 3.14Å; V254-S407 WeakPolarHBondContact O-CB 3.48Å; P311-S407 PolarHBondContact O-N 2.91Å; L312-S407 WeakPolarHBondContact CA-O 3.18Å; L312-S407 WeakPolarHBondContact CD1-O 3.4Å; L313-S407 PolarHBondContact N-O 2.94Å
408	V	98.8	Very high	96.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.1	-177.1	-177	0	0	0	0	110.4	V254 L255 V256 L313 L315 V397 A400 I401 V410	V254-V408 PolarHBondContact O-N 2.92Å; L255-V408 HydrophobicContact CD1-CB 4.25Å; L255-V408 HydrophobicContact CD1-CG1 4.48Å; V256-V408 PolarHBondContact N-O 3.41Å; L313-V408 HydrophobicContact CB-CG2 4.32Å; L313-V408 HydrophobicContact CD2-CG2 4.38Å; L313-V408 CarbonylContact O-C 3.56Å; L313-V408 VanDerWaalsContact O-CA 3.26Å; L313-V408 WeakPolarHBondContact O-CA 3.35Å; L315-V408 HydrophobicContact CD1-CG1 3.82Å; L315-V408 HydrophobicContact CG-CG1 3.94Å; V397-V408 HydrophobicContact CG1-CB 4.3Å; V397-V408 HydrophobicContact CG1-CG1 4.28Å; V397-V408 HydrophobicContact CG1-CG2 4.41Å; V397-V408 HydrophobicContact CG2-CG1 4.17Å; A400-V408 HydrophobicContact CB-CG2 3.51Å; I401-V408 HydrophobicContact CD1-CB 4.37Å; I401-V408 HydrophobicContact CD1-CG2 4.22Å; I401-V408 HydrophobicContact CG1-CB 4.32Å; I401-V408 HydrophobicContact CG1-CG2 3.67Å; V408-V410 HydrophobicContact CG1-CG2 3.91Å
409	L	98.8	Very high	96.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.1	167.4	176.3	67.2	0	0	0	109.4	P242 V256 L277 L312 L313 I314 L315	P242-L409 HydrophobicContact CB-CD1 4.28Å; V256-L409 HydrophobicContact CB-CB 4.35Å; V256-L409 HydrophobicContact CB-CD1 3.73Å; V256-L409 HydrophobicContact CG1-CD1 3.57Å; V256-L409 CarbonylContact O-C 3.45Å; V256-L409 WeakPolarHBondContact O-CA 3.47Å; L277-L409 HydrophobicContact CD1-CD2 4.11Å; L277-L409 HydrophobicContact CD2-CD2 4Å; L312-L409 HydrophobicContact CD1-CB 4.29Å; L313-L409 PolarHBondContact O-N 3.09Å; I314-L409 CarbonylContact C-O 3.57Å; I314-L409 WeakPolarHBondContact CA-O 3.31Å; I314-L409 HydrophobicContact CD1-CD2 4.43Å; I314-L409 HydrophobicContact CG1-CB 4.31Å; I314-L409 HydrophobicContact CG1-CD2 4.25Å; I314-L409 HydrophobicContact CG2-CD2 4.3Å; L315-L409 PolarHBondContact N-O 2.91Å
410	V	98.9	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.1	175.4	-172.8	0	0	0	0	109.9	L255 V256 R257 S258 L315 V397 V408 T419 I422 V423	L255-V410 HydrophobicContact CD1-CG2 4.03Å; V256-V410 PolarHBondContact O-N 3.32Å; R257-V410 WeakPolarHBondContact CA-O 3.35Å; S258-V410 PolarHBondContact N-O 3.35Å; S258-V410 VanDerWaalsContact N-O 3.16Å; L315-V410 HydrophobicContact CB-CG2 4.44Å; V397-V410 HydrophobicContact CG2-CG2 3.92Å; V408-V410 HydrophobicContact CG1-CG2 3.91Å; V410-T419 HydrophobicContact CB-CG2 4.43Å; V410-T419 HydrophobicContact CG1-CG2 4.22Å; V410-T419 VanDerWaalsContact O-CG2 3.31Å; V410-T419 WeakPolarHBondContact O-CG2 3.34Å; V410-I422 HydrophobicContact CG1-CB 4.11Å; V410-I422 HydrophobicContact CG1-CD1 3.91Å; V410-I422 HydrophobicContact CG1-CG2 3.93Å; V410-I422 HydrophobicContact CG2-CG2 4.15Å; V410-V423 HydrophobicContact CB-CG2 4.08Å; V410-V423 HydrophobicContact CG2-CG2 4.32Å
411	H	98.7	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	168.6	168.7	71.1	86.9	0	0	0	111.3	S258 L315 D316 A317 E334 T419	S258-H411 WeakPolarHBondContact O-CA 3.36Å; S258-H411 WeakPolarHBondContact O-CB 2.95Å; L315-H411 PolarHBondContact O-N 3.01Å; L315-H411 VanDerWaalsContact O-N 3.1Å; D316-H411 IonicContact OD2-CE1 3.5Å; D316-H411 PolarHBondContact OD2-CE1 3.14Å; A317-H411 WeakPolarHBondContact CB-O 3.49Å; A317-H411 PolarHBondContact N-O 3.14Å; E334-H411 IonicContact OE1-NE2 2.77Å; E334-H411 IonicContact OE2-CE1 3.4Å; E334-H411 IonicContact OE2-NE2 3.78Å; E334-H411 PolarHBondContact OE2-NE2 3.35Å; E334-H411 VanDerWaalsContact OE2-NE2 3.17Å; H411-T419 WeakPolarHBondContact CA-OG1 3.45Å
412	C	97.4	Very high	97.1	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.027	9%	0.089	C	C	.	.			trans	-129.7	-126.6	168.9	62.5	0	0	0	0	108.6	Q260 A317 R318 G415 R418 T419	Q260-C412 WeakPolarHBondContact CB-O 3.37Å; A317-C412 HydrophobicContact CB-CB 3.8Å; R318-C412 HydrophobicContact CG-CB 4.49Å; C412-G415 PolarHBondContact SG-N 3.29Å; C412-R418 HydrophobicContact CB-CB 4.23Å; C412-T419 PolarHBondContact N-OG1 2.76Å; C412-T419 PolarHBondContact SG-OG1 3.41Å
413	S	97.2	Very high	97.4	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.112	7%	0.074	C	C	.	.	S	Bend	trans	-80	-74.8	167.2	-63.2	0	0	0	0	109.8	Q260 R318 N326	Q260-S413 VanDerWaalsContact CG-O 3.29Å; Q260-S413 WeakPolarHBondContact CG-O 3.41Å; Q260-S413 PolarHBondContact N-O 3.09Å; R318-S413 WeakPolarHBondContact CD-OG 3.34Å; R318-S413 PolarHBondContact NH1-OG 2.82Å; N326-S413 PolarHBondContact ND2-OG 3.44Å; N326-S413 VanDerWaalsContact ND2-OG 3.13Å
414	D	96.4	Very high	97.6	Very high	51 Å²	51	9.7 Å²	9.7	27%	0.273	5%	0.05	S	C	.	.	S	Bend	trans	-90.1	-16.2	-177.1	-48.4	-63.4	0	0	0	113.1	R240 S259 W416	R240-D414 WeakPolarHBondContact CD-O 3.24Å; R240-D414 PolarHBondContact NE-O 3.46Å; S259-D414 WeakPolarHBondContact CB-O 3.46Å; D414-W416 HydrophobicContact CB-CD2 3.7Å; D414-W416 VanDerWaalsContact CB-CE2 3.43Å; D414-W416 HydrophobicContact CB-CE3 3.91Å; D414-W416 HydrophobicContact CB-CG 4.44Å; D414-W416 HydrophobicContact CB-CH2 3.57Å; D414-W416 HydrophobicContact CB-CZ2 3.35Å; D414-W416 HydrophobicContact CB-CZ3 3.86Å; D414-W416 VanDerWaalsContact CG-CZ2 3.45Å
415	G	97.2	Very high	97.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	82.2	18.8	174.4	0	0	0	0	0	116.3	R240 R257 S258 C412 T419	R240-G415 PolarHBondContact NH2-O 2.91Å; R257-G415 PolarHBondContact NH2-O 3.17Å; S258-G415 WeakPolarHBondContact O-CA 3.22Å; C412-G415 PolarHBondContact SG-N 3.29Å; G415-T419 WeakPolarHBondContact CA-OG1 3.49Å
416	W	97.6	Very high	98.2	Very high	19 Å²	19	7.1 Å²	7.1	7%	0.072	4%	0.036	C	C	.	.	S	Bend	trans	-119.6	-10.3	180	59	50.8	0	0	0	115.8	L238 D414 T420 G452 H453 K454	L238-W416 HydrophobicContact CD1-CH2 3.45Å; L238-W416 VanDerWaalsContact CD1-CH2 3.45Å; L238-W416 HydrophobicContact CD1-CZ3 3.36Å; D414-W416 HydrophobicContact CB-CD2 3.7Å; D414-W416 VanDerWaalsContact CB-CE2 3.43Å; D414-W416 HydrophobicContact CB-CE3 3.91Å; D414-W416 HydrophobicContact CB-CG 4.44Å; D414-W416 HydrophobicContact CB-CH2 3.57Å; D414-W416 HydrophobicContact CB-CZ2 3.35Å; D414-W416 HydrophobicContact CB-CZ3 3.86Å; D414-W416 VanDerWaalsContact CG-CZ2 3.45Å; W416-T420 WeakPolarHBondContact CA-OG1 3.42Å; W416-T420 WeakPolarHBondContact O-CB 3.36Å; W416-T420 PolarHBondContact O-OG1 2.96Å; W416-G452 WeakPolarHBondContact CB-O 3.08Å; W416-H453 PolarHBondContact O-ND1 2.86Å; W416-K454 HydrophobicContact CD2-CD 4.32Å; W416-K454 HydrophobicContact CD2-CG 4.23Å; W416-K454 HydrophobicContact CH2-CD 4.19Å; W416-K454 VanDerWaalsContact CH2-CE 3.5Å; W416-K454 HydrophobicContact CZ2-CD 3.63Å; W416-K454 VanDerWaalsContact CZ2-CE 3.42Å; W416-K454 HydrophobicContact CZ2-CG 4.42Å
417	D	98.4	Very high	98.3	Very high	13 Å²	13	7 Å²	7	7%	0.07	4%	0.035	C	C	.	.	S	Bend	trans	-102.6	-95.2	177.4	-67.7	-48.2	0	0	0	110	T419 T420 Q421 H453 R458 V472	D417-T419 PolarHBondContact O-N 3.28Å; D417-T420 WeakPolarHBondContact O-CA 3.5Å; D417-T420 WeakPolarHBondContact O-CB 3.2Å; D417-T420 PolarHBondContact O-N 2.85Å; D417-Q421 PolarHBondContact O-N 2.86Å; D417-H453 IonicContact OD1-CE1 2.74Å; D417-H453 PolarHBondContact OD1-CE1 3.39Å; D417-H453 IonicContact OD1-ND1 3.9Å; D417-H453 PolarHBondContact OD1-ND1 3.31Å; D417-R458 IonicContact OD1-CZ 2.72Å; D417-R458 IonicContact OD1-NE 2.69Å; D417-R458 PolarHBondContact OD1-NE 3.31Å; D417-R458 IonicContact OD1-NH2 3.94Å; D417-R458 IonicContact OD2-CZ 3.84Å; D417-R458 IonicContact OD2-NE 3.89Å; D417-R458 PolarHBondContact OD2-NE 3.49Å; D417-R458 IonicContact OD2-NH2 2.84Å; D417-R458 PolarHBondContact OD2-NH2 3.38Å; D417-V472 HydrophobicContact CB-CG1 4.25Å
418	R	98.6	Very high	98.3	Very high	33 Å²	33	6.8 Å²	6.8	13%	0.125	3%	0.034	C	C	.	.	H	α-helix	trans	-52.2	-40.6	179.7	-71.5	167.3	-74.3	-171.3	0.9	113.2	A317 L349 C412 T420 Q421 I422	A317-R418 HydrophobicContact CB-CB 3.8Å; L349-R418 HydrophobicContact CB-CG 4.3Å; L349-R418 HydrophobicContact CD1-CB 4.44Å; L349-R418 HydrophobicContact CD1-CG 4.38Å; L349-R418 PolarHBondContact O-NH1 2.81Å; C412-R418 HydrophobicContact CB-CB 4.23Å; R418-T420 VanDerWaalsContact C-N 3.35Å; R418-T420 PolarHBondContact O-N 3.5Å; R418-Q421 PolarHBondContact O-N 3.45Å; R418-I422 WeakPolarHBondContact O-CB 3.32Å; R418-I422 WeakPolarHBondContact O-CD1 3.44Å; R418-I422 VanDerWaalsContact O-CG1 3.24Å; R418-I422 WeakPolarHBondContact O-CG1 3.42Å; R418-I422 PolarHBondContact O-N 3.2Å
419	T	98.8	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-59	-47.3	176.1	-58	0	0	0	0	111.4	R257 V410 H411 C412 G415 D417 I422 V423	R257-T419 HydrophobicContact CB-CG2 3.94Å; V410-T419 HydrophobicContact CB-CG2 4.43Å; V410-T419 HydrophobicContact CG1-CG2 4.22Å; V410-T419 VanDerWaalsContact O-CG2 3.31Å; V410-T419 WeakPolarHBondContact O-CG2 3.34Å; H411-T419 WeakPolarHBondContact CA-OG1 3.45Å; C412-T419 PolarHBondContact N-OG1 2.76Å; C412-T419 PolarHBondContact SG-OG1 3.41Å; G415-T419 WeakPolarHBondContact CA-OG1 3.49Å; D417-T419 PolarHBondContact O-N 3.28Å; T419-I422 PolarHBondContact O-N 3.42Å; T419-V423 HydrophobicContact CG2-CG2 4.26Å; T419-V423 VanDerWaalsContact O-CB 3.28Å; T419-V423 WeakPolarHBondContact O-CB 3.45Å; T419-V423 WeakPolarHBondContact O-CG2 3.35Å; T419-V423 PolarHBondContact O-N 2.98Å
420	T	98.7	Very high	98.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.6	-44.3	177.4	-58.4	0	0	0	0	111	R257 W416 D417 R418 S424 E447 W448	R257-T420 PolarHBondContact NH2-OG1 3.37Å; W416-T420 WeakPolarHBondContact CA-OG1 3.42Å; W416-T420 WeakPolarHBondContact O-CB 3.36Å; W416-T420 PolarHBondContact O-OG1 2.96Å; D417-T420 WeakPolarHBondContact O-CA 3.5Å; D417-T420 WeakPolarHBondContact O-CB 3.2Å; D417-T420 PolarHBondContact O-N 2.85Å; R418-T420 VanDerWaalsContact C-N 3.35Å; R418-T420 PolarHBondContact O-N 3.5Å; T420-S424 WeakPolarHBondContact O-CB 3.3Å; T420-S424 PolarHBondContact O-N 2.92Å; T420-S424 PolarHBondContact O-OG 2.81Å; T420-E447 HydrophobicContact CG2-CB 4.5Å; T420-E447 VanDerWaalsContact CG2-O 3.22Å; T420-E447 WeakPolarHBondContact CG2-O 3.26Å; T420-W448 HydrophobicContact CG2-CB 4.28Å; T420-W448 HydrophobicContact CG2-CD2 3.43Å; T420-W448 VanDerWaalsContact CG2-CD2 3.43Å; T420-W448 HydrophobicContact CG2-CE3 3.85Å; T420-W448 HydrophobicContact CG2-CG 3.63Å; T420-W448 HydrophobicContact CG2-CH2 4.43Å; T420-W448 HydrophobicContact CG2-CZ2 4.05Å; T420-W448 HydrophobicContact CG2-CZ3 4.34Å
421	Q	98.8	Very high	98.1	Very high	6 Å²	6	7.6 Å²	7.6	3%	0.028	4%	0.038	C	C	.	.	H	α-helix	trans	-59.8	-49	177.9	-64.7	176.8	-56.5	0	0	111.7	L390 D417 R418 S424 L425 W448 V472 W476	L390-Q421 HydrophobicContact CD1-CB 3.57Å; L390-Q421 HydrophobicContact CD2-CB 3.93Å; L390-Q421 HydrophobicContact CD2-CG 4.26Å; L390-Q421 HydrophobicContact CG-CB 4.32Å; D417-Q421 PolarHBondContact O-N 2.86Å; R418-Q421 PolarHBondContact O-N 3.45Å; Q421-S424 PolarHBondContact O-OG 3.03Å; Q421-L425 WeakPolarHBondContact O-CB 3.47Å; Q421-L425 WeakPolarHBondContact O-CG 3.32Å; Q421-L425 PolarHBondContact O-N 2.89Å; Q421-L425 VanDerWaalsContact O-N 3.08Å; Q421-W448 HydrophobicContact CG-CH2 3.72Å; Q421-W448 HydrophobicContact CG-CZ2 4.15Å; Q421-V472 HydrophobicContact CG-CG1 3.85Å; Q421-V472 PolarHBondContact NE2-O 3.41Å; Q421-W476 HydrophobicContact CG-CB 4.29Å
422	I	98.9	Very high	98	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.6	-51.7	180	-66.5	163.6	0	0	0	110.8	A317 L347 L349 L390 A393 V397 V410 R418 T419 S424 L425 A426	A317-I422 HydrophobicContact CB-CD1 3.75Å; L347-I422 HydrophobicContact CD1-CD1 3.81Å; L349-I422 HydrophobicContact CD1-CD1 3.77Å; L349-I422 HydrophobicContact CD1-CG1 4.12Å; L390-I422 HydrophobicContact CD1-CG1 3.98Å; A393-I422 HydrophobicContact CB-CD1 4.15Å; A393-I422 HydrophobicContact CB-CG1 4.01Å; V397-I422 HydrophobicContact CG2-CG2 3.65Å; V410-I422 HydrophobicContact CG1-CB 4.11Å; V410-I422 HydrophobicContact CG1-CD1 3.91Å; V410-I422 HydrophobicContact CG1-CG2 3.93Å; V410-I422 HydrophobicContact CG2-CG2 4.15Å; R418-I422 WeakPolarHBondContact O-CB 3.32Å; R418-I422 WeakPolarHBondContact O-CD1 3.44Å; R418-I422 VanDerWaalsContact O-CG1 3.24Å; R418-I422 WeakPolarHBondContact O-CG1 3.42Å; R418-I422 PolarHBondContact O-N 3.2Å; T419-I422 PolarHBondContact O-N 3.42Å; I422-S424 VanDerWaalsContact C-N 3.35Å; I422-S424 PolarHBondContact O-N 2.95Å; I422-L425 PolarHBondContact O-N 3.08Å; I422-A426 VanDerWaalsContact O-CB 3.28Å; I422-A426 WeakPolarHBondContact O-CB 3.39Å; I422-A426 PolarHBondContact O-N 3.42Å
423	V	98.9	Very high	97.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61	-45	-176.1	165.6	0	0	0	0	110.8	V245 L255 R257 V410 T419 A426 K427 E447	V245-V423 HydrophobicContact CG2-CG1 3.74Å; L255-V423 HydrophobicContact CD2-CB 4.47Å; L255-V423 HydrophobicContact CD2-CG1 4.01Å; R257-V423 HydrophobicContact CB-CG2 4.1Å; V410-V423 HydrophobicContact CB-CG2 4.08Å; V410-V423 HydrophobicContact CG2-CG2 4.32Å; T419-V423 HydrophobicContact CG2-CG2 4.26Å; T419-V423 VanDerWaalsContact O-CB 3.28Å; T419-V423 WeakPolarHBondContact O-CB 3.45Å; T419-V423 WeakPolarHBondContact O-CG2 3.35Å; T419-V423 PolarHBondContact O-N 2.98Å; V423-A426 PolarHBondContact O-N 3.29Å; V423-K427 HydrophobicContact CG1-CD 4.08Å; V423-K427 WeakPolarHBondContact O-CB 3.34Å; V423-K427 VanDerWaalsContact O-CG 3.24Å; V423-K427 WeakPolarHBondContact O-CG 3.48Å; V423-K427 PolarHBondContact O-N 2.92Å; V423-E447 HydrophobicContact CG1-CG 4.39Å; V423-E447 WeakPolarHBondContact CG1-OE2 3.22Å
424	S	98.8	Very high	98	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.7	-38	-178.7	56.3	0	0	0	0	113	T420 Q421 I422 K427 L428 W448 W476	T420-S424 WeakPolarHBondContact O-CB 3.3Å; T420-S424 PolarHBondContact O-N 2.92Å; T420-S424 PolarHBondContact O-OG 2.81Å; Q421-S424 PolarHBondContact O-OG 3.03Å; I422-S424 VanDerWaalsContact C-N 3.35Å; I422-S424 PolarHBondContact O-N 2.95Å; S424-K427 PolarHBondContact O-N 2.9Å; S424-L428 PolarHBondContact O-N 3.1Å; S424-L428 VanDerWaalsContact O-N 3.09Å; S424-W448 PolarHBondContact OG-NE1 3.06Å; S424-W476 PolarHBondContact OG-NE1 3.46Å
425	L	98.6	Very high	98	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65	-44.7	171.4	-74.8	169.3	0	0	0	111.9	L390 L391 S394 Q421 I422 K427 L428 L429 C479 V480 L483	L390-L425 HydrophobicContact CD1-CD1 4.33Å; L390-L425 HydrophobicContact CD2-CD1 4.13Å; L390-L425 HydrophobicContact CG-CD1 3.79Å; L391-L425 HydrophobicContact CD2-CD1 4.19Å; L391-L425 HydrophobicContact CD2-CD2 4.15Å; S394-L425 VanDerWaalsContact OG-CB 3.23Å; S394-L425 WeakPolarHBondContact OG-CB 3.35Å; S394-L425 WeakPolarHBondContact OG-CD1 3.25Å; Q421-L425 WeakPolarHBondContact O-CB 3.47Å; Q421-L425 WeakPolarHBondContact O-CG 3.32Å; Q421-L425 PolarHBondContact O-N 2.89Å; Q421-L425 VanDerWaalsContact O-N 3.08Å; I422-L425 PolarHBondContact O-N 3.08Å; L425-K427 VanDerWaalsContact C-N 3.26Å; L425-K427 PolarHBondContact O-N 3.4Å; L425-L428 WeakPolarHBondContact O-CB 3.49Å; L425-L428 PolarHBondContact O-N 2.98Å; L425-L428 VanDerWaalsContact O-N 3.14Å; L425-L429 VanDerWaalsContact O-CG 3.28Å; L425-L429 WeakPolarHBondContact O-CG 3.47Å; L425-L429 PolarHBondContact O-N 3.17Å; L425-C479 HydrophobicContact CD1-CB 4.02Å; L425-C479 HydrophobicContact CD2-CB 3.93Å; L425-V480 HydrophobicContact CD2-CG2 4.05Å; L425-L483 HydrophobicContact CD2-CD1 4.15Å
426	A	98.6	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.9	-40.3	177.3	0	0	0	0	0	111.4	L255 V397 I422 V423 L429 L430	L255-A426 HydrophobicContact CD2-CB 4.24Å; V397-A426 HydrophobicContact CB-CB 3.84Å; V397-A426 HydrophobicContact CG1-CB 3.65Å; V397-A426 HydrophobicContact CG2-CB 4.44Å; I422-A426 VanDerWaalsContact O-CB 3.28Å; I422-A426 WeakPolarHBondContact O-CB 3.39Å; I422-A426 PolarHBondContact O-N 3.42Å; V423-A426 PolarHBondContact O-N 3.29Å; A426-L429 PolarHBondContact O-N 3.41Å; A426-L430 VanDerWaalsContact O-CB 3.3Å; A426-L430 WeakPolarHBondContact O-CB 3.44Å; A426-L430 WeakPolarHBondContact O-CD1 3.2Å; A426-L430 VanDerWaalsContact O-CG 3.28Å; A426-L430 WeakPolarHBondContact O-CG 3.47Å; A426-L430 PolarHBondContact O-N 3.49Å
427	K	98.6	Very high	97.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.4	-44.4	174.2	-74.2	176.4	75	178.9	0	112.3	E188 W246 L255 V423 S424 L425 L429 L430 D431 Y434 L443 E447	E188-K427 IonicContact OE2-NZ 3.73Å; W246-K427 HydrophobicContact CB-CD 4.41Å; W246-K427 HydrophobicContact CB-CG 4.2Å; W246-K427 HydrophobicContact CG-CG 4.36Å; L255-K427 HydrophobicContact CD2-CG 4.05Å; V423-K427 HydrophobicContact CG1-CD 4.08Å; V423-K427 WeakPolarHBondContact O-CB 3.34Å; V423-K427 VanDerWaalsContact O-CG 3.24Å; V423-K427 WeakPolarHBondContact O-CG 3.48Å; V423-K427 PolarHBondContact O-N 2.92Å; S424-K427 PolarHBondContact O-N 2.9Å; L425-K427 VanDerWaalsContact C-N 3.26Å; L425-K427 PolarHBondContact O-N 3.4Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 PolarHBondContact O-N 2.83Å; K427-L430 PolarHBondContact O-N 3.31Å; K427-D431 PolarHBondContact O-N 3.02Å; K427-Y434 HydrophobicContact CB-CD2 3.72Å; K427-Y434 HydrophobicContact CB-CE2 3.73Å; K427-Y434 HydrophobicContact CD-CE2 4.35Å; K427-Y434 WeakPolarHBondContact CE-OH 3.17Å; K427-Y434 HydrophobicContact CG-CE2 4.15Å; K427-Y434 PolarHBondContact NZ-OH 2.98Å; K427-Y434 WeakPolarHBondContact O-CD2 3.46Å; K427-L443 HydrophobicContact CB-CD1 3.78Å; K427-L443 HydrophobicContact CD-CD1 3.77Å; K427-L443 HydrophobicContact CG-CD1 4.4Å; K427-E447 HydrophobicContact CD-CG 4.11Å; K427-E447 IonicContact NZ-OE1 3.05Å; K427-E447 PolarHBondContact NZ-OE1 3.44Å
428	L	97.5	Very high	97.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.6	-38.4	174.1	-72.8	165.9	0	0	0	112.4	S424 L425 Y434 R435 F440 L443 W476 V480 F491	S424-L428 PolarHBondContact O-N 3.1Å; S424-L428 VanDerWaalsContact O-N 3.09Å; L425-L428 WeakPolarHBondContact O-CB 3.49Å; L425-L428 PolarHBondContact O-N 2.98Å; L425-L428 VanDerWaalsContact O-N 3.14Å; L428-Y434 WeakPolarHBondContact CD2-O 3.35Å; L428-R435 PolarHBondContact O-NE 2.82Å; L428-R435 PolarHBondContact O-NH2 3.24Å; L428-F440 HydrophobicContact CD1-CE2 4.11Å; L428-F440 HydrophobicContact CD2-CD2 3.84Å; L428-F440 HydrophobicContact CD2-CE2 4.22Å; L428-L443 HydrophobicContact CD1-CD2 3.97Å; L428-L443 HydrophobicContact CD2-CD2 3.8Å; L428-L443 HydrophobicContact CG-CD2 3.57Å; L428-W476 HydrophobicContact CD1-CZ2 3.82Å; L428-V480 HydrophobicContact CD1-CG1 4.45Å; L428-V480 HydrophobicContact CD1-CG2 3.7Å; L428-F491 HydrophobicContact CD2-CE1 4.29Å
429	L	97.2	Very high	97.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-75.1	-36.7	-179.5	-65.6	165.5	0	0	0	112.2	L395 V398 L425 A426 K427 R435 L483 V555 L556	L395-L429 HydrophobicContact CD2-CD1 3.96Å; L395-L429 HydrophobicContact CG-CD1 4.43Å; V398-L429 HydrophobicContact CG2-CB 3.52Å; V398-L429 HydrophobicContact CG2-CD1 3.87Å; V398-L429 HydrophobicContact CG2-CG 4.35Å; L425-L429 VanDerWaalsContact O-CG 3.28Å; L425-L429 WeakPolarHBondContact O-CG 3.47Å; L425-L429 PolarHBondContact O-N 3.17Å; A426-L429 PolarHBondContact O-N 3.41Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 PolarHBondContact O-N 2.83Å; L429-R435 PolarHBondContact O-NH2 3.28Å; L429-L483 HydrophobicContact CD2-CD1 3.82Å; L429-L483 HydrophobicContact CD2-CD2 3.77Å; L429-L483 HydrophobicContact CD2-CG 4.46Å; L429-L483 HydrophobicContact CG-CD1 4.27Å; L429-V555 WeakPolarHBondContact O-CA 3.2Å; L429-L556 HydrophobicContact CD2-CB 3.93Å; L429-L556 PolarHBondContact O-N 3.18Å
430	L	97.2	Very high	97.5	Very high	8 Å²	8	10.8 Å²	10.8	4%	0.042	5%	0.052	C	C	.	.	H	α-helix	trans	-81.3	-31.9	-178.2	-75.5	163	0	0	0	114.3	W246 V398 I401 H402 A426 K427 V555	W246-L430 HydrophobicContact CE3-CD1 4.11Å; W246-L430 HydrophobicContact CH2-CB 3.92Å; W246-L430 HydrophobicContact CH2-CD1 4.21Å; W246-L430 HydrophobicContact CH2-CD2 4.17Å; W246-L430 HydrophobicContact CH2-CG 4.32Å; W246-L430 HydrophobicContact CZ2-CB 3.83Å; W246-L430 HydrophobicContact CZ3-CB 4.47Å; W246-L430 HydrophobicContact CZ3-CD1 3.93Å; W246-L430 HydrophobicContact CZ3-CD2 4.45Å; V398-L430 HydrophobicContact CB-CD2 4.37Å; V398-L430 HydrophobicContact CB-CG 4.47Å; V398-L430 HydrophobicContact CG1-CD2 3.87Å; V398-L430 HydrophobicContact CG1-CG 4.29Å; V398-L430 HydrophobicContact CG2-CG 4.09Å; I401-L430 HydrophobicContact CB-CD2 4.49Å; I401-L430 HydrophobicContact CD1-CD1 3.96Å; I401-L430 HydrophobicContact CG2-CD1 4.41Å; I401-L430 HydrophobicContact CG2-CD2 4.26Å; H402-L430 HydrophobicContact CB-CD2 4.13Å; A426-L430 VanDerWaalsContact O-CB 3.3Å; A426-L430 WeakPolarHBondContact O-CB 3.44Å; A426-L430 WeakPolarHBondContact O-CD1 3.2Å; A426-L430 VanDerWaalsContact O-CG 3.28Å; A426-L430 WeakPolarHBondContact O-CG 3.47Å; A426-L430 PolarHBondContact O-N 3.49Å; K427-L430 PolarHBondContact O-N 3.31Å; L430-V555 HydrophobicContact CD2-CG1 4.34Å
431	D	97.1	Very high	97.4	Very high	9 Å²	9	12.3 Å²	12.3	5%	0.048	6%	0.057	C	C	.	.			trans	-134.1	109.5	-163.9	-171.8	-14.5	0	0	0	111.6	R191 W246 K427 Y433 Y434	R191-D431 IonicContact CZ-OD2 3.78Å; R191-D431 VanDerWaalsContact NH1-CG 3.32Å; R191-D431 IonicContact NH1-OD1 3.34Å; R191-D431 PolarHBondContact NH1-OD1 3.1Å; R191-D431 VanDerWaalsContact NH1-OD1 3.09Å; R191-D431 IonicContact NH1-OD2 2.68Å; R191-D431 PolarHBondContact NH1-OD2 3.24Å; R191-D431 IonicContact NH2-OD2 3.75Å; R191-D431 PolarHBondContact NH2-OD2 3.31Å; W246-D431 HydrophobicContact CZ2-CB 4.19Å; W246-D431 PolarHBondContact NE1-OD2 2.97Å; K427-D431 PolarHBondContact O-N 3.02Å; D431-Y433 PolarHBondContact O-N 2.64Å; D431-Y433 VanDerWaalsContact O-N 3.1Å; D431-Y433 WeakPolarHBondContact OD1-CB 3.25Å; D431-Y433 PolarHBondContact OD1-N 3Å; D431-Y434 HydrophobicContact CB-CD2 3.72Å; D431-Y434 HydrophobicContact CB-CE2 3.79Å; D431-Y434 PolarHBondContact O-N 2.85Å; D431-Y434 WeakPolarHBondContact OD2-CE2 3.46Å
432	P	96.7	Very high	97.2	Very high	22 Å²	22	12.4 Å²	12.4	14%	0.143	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-56.2	-24.7	178.7	-21.3	28.4	0	0	0	113.9	Y434 R435 E552	P432-Y434 VanDerWaalsContact C-N 3.27Å; P432-Y434 PolarHBondContact O-N 2.95Å; P432-R435 WeakPolarHBondContact O-CB 3.43Å; P432-R435 PolarHBondContact O-N 3.3Å; P432-E552 WeakPolarHBondContact CG-O 3.46Å
433	Y	96.9	Very high	97.2	Very high	45 Å²	45	12.4 Å²	12.4	18%	0.176	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-54.3	-44.8	177	176.6	-109.3	0	0	0	111.7	R191 D431 R435 T436 G439 E442	R191-Y433 VanDerWaalsContact NH1-CB 3.28Å; D431-Y433 PolarHBondContact O-N 2.64Å; D431-Y433 VanDerWaalsContact O-N 3.1Å; D431-Y433 WeakPolarHBondContact OD1-CB 3.25Å; D431-Y433 PolarHBondContact OD1-N 3Å; Y433-R435 PolarHBondContact O-N 3.07Å; Y433-R435 VanDerWaalsContact O-N 3.14Å; Y433-T436 WeakPolarHBondContact O-CB 3.43Å; Y433-T436 PolarHBondContact O-N 3.23Å; Y433-T436 VanDerWaalsContact O-N 3.12Å; Y433-T436 PolarHBondContact O-OG1 3.25Å; Y433-G439 WeakPolarHBondContact O-CA 3.49Å; Y433-E442 WeakPolarHBondContact CE1-OE2 3.46Å; Y433-E442 PolarHBondContact OH-OE1 3.01Å; Y433-E442 VanDerWaalsContact OH-OE1 3.06Å; Y433-E442 PolarHBondContact OH-OE2 2.83Å
434	Y	97.6	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-72.9	-5.5	-178.8	-54.5	-63.1	0	0	0	113.9	E188 R191 W246 K427 L428 D431 P432 G439 F440 L443	E188-Y434 PolarHBondContact OE2-OH 3.06Å; R191-Y434 PolarHBondContact NH2-OH 3.47Å; W246-Y434 AromaticContact CD1-CE2 3.77Å; K427-Y434 HydrophobicContact CB-CD2 3.72Å; K427-Y434 HydrophobicContact CB-CE2 3.73Å; K427-Y434 HydrophobicContact CD-CE2 4.35Å; K427-Y434 WeakPolarHBondContact CE-OH 3.17Å; K427-Y434 HydrophobicContact CG-CE2 4.15Å; K427-Y434 PolarHBondContact NZ-OH 2.98Å; K427-Y434 WeakPolarHBondContact O-CD2 3.46Å; L428-Y434 WeakPolarHBondContact CD2-O 3.35Å; D431-Y434 HydrophobicContact CB-CD2 3.72Å; D431-Y434 HydrophobicContact CB-CE2 3.79Å; D431-Y434 PolarHBondContact O-N 2.85Å; D431-Y434 WeakPolarHBondContact OD2-CE2 3.46Å; P432-Y434 VanDerWaalsContact C-N 3.27Å; P432-Y434 PolarHBondContact O-N 2.95Å; Y434-G439 WeakPolarHBondContact CD1-O 3.37Å; Y434-F440 WeakPolarHBondContact O-CA 3.43Å; Y434-F440 WeakPolarHBondContact O-CB 3.32Å; Y434-F440 PolarHBondContact O-N 3.27Å; Y434-L443 HydrophobicContact CD1-CB 3.83Å; Y434-L443 HydrophobicContact CD1-CD1 4.07Å; Y434-L443 HydrophobicContact CD1-CG 4.47Å; Y434-L443 HydrophobicContact CD2-CD1 4.49Å; Y434-L443 HydrophobicContact CE1-CD1 4.34Å; Y434-L443 HydrophobicContact CG-CB 4.31Å; Y434-L443 HydrophobicContact CG-CD1 4.16Å
435	R	97.3	Very high	97	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.008	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-89	-9.8	174	-48.6	-178.1	-163.9	138.7	11.3	112.6	L428 L429 P432 Y433 S490 F491 E492 T554 L556	L428-R435 PolarHBondContact O-NE 2.82Å; L428-R435 PolarHBondContact O-NH2 3.24Å; L429-R435 PolarHBondContact O-NH2 3.28Å; P432-R435 WeakPolarHBondContact O-CB 3.43Å; P432-R435 PolarHBondContact O-N 3.3Å; Y433-R435 PolarHBondContact O-N 3.07Å; Y433-R435 VanDerWaalsContact O-N 3.14Å; R435-S490 WeakPolarHBondContact CB-O 3.37Å; R435-S490 WeakPolarHBondContact CD-O 3.24Å; R435-F491 HydrophobicContact CB-CD1 3.62Å; R435-F491 HydrophobicContact CB-CE1 4.02Å; R435-F491 HydrophobicContact CB-CG 4.26Å; R435-F491 HydrophobicContact CG-CD1 3.83Å; R435-F491 HydrophobicContact CG-CE1 3.67Å; R435-F491 HydrophobicContact CG-CZ 4.32Å; R435-E492 PolarHBondContact O-N 2.92Å; R435-T554 VanDerWaalsContact CZ-O 3.32Å; R435-T554 PolarHBondContact NH1-O 3.37Å; R435-T554 PolarHBondContact NH2-O 2.93Å; R435-L556 VanDerWaalsContact CZ-CD1 3.46Å; R435-L556 VanDerWaalsContact CZ-CG 3.42Å
436	T	96.2	Very high	96.8	Very high	30 Å²	30	14 Å²	14	18%	0.184	7%	0.065	C	C	.	.	S	Bend	trans	-73.1	157.1	165.9	68.1	0	0	0	0	110.5	Y433 K438 G439 F440 E492 F549	Y433-T436 WeakPolarHBondContact O-CB 3.43Å; Y433-T436 PolarHBondContact O-N 3.23Å; Y433-T436 VanDerWaalsContact O-N 3.12Å; Y433-T436 PolarHBondContact O-OG1 3.25Å; T436-K438 VanDerWaalsContact C-N 3.3Å; T436-K438 PolarHBondContact O-N 3.48Å; T436-G439 PolarHBondContact O-N 2.86Å; T436-G439 PolarHBondContact OG1-N 3.02Å; T436-F440 VanDerWaalsContact O-CB 3.23Å; T436-F440 WeakPolarHBondContact O-CB 3.39Å; T436-F440 PolarHBondContact O-N 2.85Å; T436-E492 WeakPolarHBondContact CA-OE2 3.42Å; T436-E492 WeakPolarHBondContact CB-OE2 3.47Å; T436-F549 HydrophobicContact CG2-CZ 4.26Å
437	I	96.2	Very high	96.7	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-59.2	-45.7	174.7	-69.6	168.5	0	0	0	109.7	F440 R441 E492 F493 F497 E539	I437-F440 PolarHBondContact O-N 3.41Å; I437-R441 PolarHBondContact O-N 3.47Å; I437-E492 HydrophobicContact CD1-CG 4.24Å; I437-E492 HydrophobicContact CG1-CB 4.44Å; I437-E492 HydrophobicContact CG1-CG 4.15Å; I437-E492 PolarHBondContact N-OE2 3.27Å; I437-F493 HydrophobicContact CG1-CB 3.89Å; I437-F497 HydrophobicContact CG2-CE2 4.13Å; I437-E539 HydrophobicContact CB-CG 3.79Å; I437-E539 HydrophobicContact CG2-CG 3.57Å
438	K	94.2	Very high	96.7	Very high	100 Å²	100	14 Å²	14	44%	0.435	7%	0.065	S	C	.	.	H	α-helix	trans	-57.8	-55.3	176.5	-173.8	175.4	174.2	176.7	0	111.9	T436 F440 R441 E442 E539	T436-K438 VanDerWaalsContact C-N 3.3Å; T436-K438 PolarHBondContact O-N 3.48Å; K438-F440 VanDerWaalsContact C-N 3.31Å; K438-F440 PolarHBondContact O-N 2.9Å; K438-R441 WeakPolarHBondContact O-CB 3.43Å; K438-R441 PolarHBondContact O-N 2.89Å; K438-E442 VanDerWaalsContact CE-OE1 3.29Å; K438-E442 WeakPolarHBondContact CE-OE1 3.45Å; K438-E442 WeakPolarHBondContact O-CG 3.37Å; K438-E442 PolarHBondContact O-N 3.1Å; K438-E539 VanDerWaalsContact CB-OE1 3.29Å; K438-E539 WeakPolarHBondContact CB-OE1 3.31Å
439	G	96.1	Very high	96.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-177.6	0	0	0	0	0	112.1	Y433 Y434 T436 E442 L443	Y433-G439 WeakPolarHBondContact O-CA 3.49Å; Y434-G439 WeakPolarHBondContact CD1-O 3.37Å; T436-G439 PolarHBondContact O-N 2.86Å; T436-G439 PolarHBondContact OG1-N 3.02Å; G439-E442 PolarHBondContact O-N 3.12Å; G439-L443 WeakPolarHBondContact O-CB 3.35Å; G439-L443 PolarHBondContact O-N 3.02Å
440	F	97.7	Very high	96.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.9	-43.4	175.2	-168.1	-89.9	0	0	0	112	L428 Y434 T436 I437 K438 E442 L443 V444 W476 L477 V480 F493 F497 L498 L501	L428-F440 HydrophobicContact CD1-CE2 4.11Å; L428-F440 HydrophobicContact CD2-CD2 3.84Å; L428-F440 HydrophobicContact CD2-CE2 4.22Å; Y434-F440 WeakPolarHBondContact O-CA 3.43Å; Y434-F440 WeakPolarHBondContact O-CB 3.32Å; Y434-F440 PolarHBondContact O-N 3.27Å; T436-F440 VanDerWaalsContact O-CB 3.23Å; T436-F440 WeakPolarHBondContact O-CB 3.39Å; T436-F440 PolarHBondContact O-N 2.85Å; I437-F440 PolarHBondContact O-N 3.41Å; K438-F440 VanDerWaalsContact C-N 3.31Å; K438-F440 PolarHBondContact O-N 2.9Å; F440-E442 PolarHBondContact O-N 2.91Å; F440-L443 WeakPolarHBondContact O-CB 3.48Å; F440-L443 PolarHBondContact O-N 2.78Å; F440-V444 HydrophobicContact CD1-CG2 4.2Å; F440-V444 HydrophobicContact CE1-CG2 3.92Å; F440-V444 HydrophobicContact CZ-CG2 4.47Å; F440-V444 WeakPolarHBondContact O-CG2 3.28Å; F440-V444 PolarHBondContact O-N 3.02Å; F440-W476 HydrophobicContact CE1-CH2 4.07Å; F440-W476 HydrophobicContact CE1-CZ3 4.28Å; F440-W476 AromaticContact CE2-CH2 3.56Å; F440-W476 HydrophobicContact CE2-CH2 3.56Å; F440-W476 HydrophobicContact CE2-CZ2 4.24Å; F440-W476 HydrophobicContact CE2-CZ3 4.3Å; F440-W476 AromaticContact CZ-CH2 3.26Å; F440-W476 HydrophobicContact CZ-CH2 3.26Å; F440-W476 HydrophobicContact CZ-CZ2 4.33Å; F440-W476 AromaticContact CZ-CZ3 3.59Å; F440-W476 HydrophobicContact CZ-CZ3 3.59Å; F440-L477 HydrophobicContact CZ-CD2 4.34Å; F440-V480 HydrophobicContact CE2-CG1 3.83Å; F440-V480 HydrophobicContact CE2-CG2 4.34Å; F440-V480 HydrophobicContact CZ-CG1 4.25Å; F440-F493 HydrophobicContact CB-CD1 3.99Å; F440-F493 HydrophobicContact CB-CE1 3.79Å; F440-F493 HydrophobicContact CD2-CD1 4.17Å; F440-F493 AromaticContact CD2-CE1 3.29Å; F440-F493 HydrophobicContact CD2-CE1 3.29Å; F440-F493 AromaticContact CD2-CZ 3.53Å; F440-F493 HydrophobicContact CD2-CZ 3.53Å; F440-F493 AromaticContact CE2-CE1 3.96Å; F440-F493 HydrophobicContact CE2-CE1 3.96Å; F440-F493 HydrophobicContact CE2-CE2 4.48Å; F440-F493 AromaticContact CE2-CZ 3.69Å; F440-F493 HydrophobicContact CE2-CZ 3.69Å; F440-F493 HydrophobicContact CG-CD1 4.08Å; F440-F493 AromaticContact CG-CE1 3.65Å; F440-F493 HydrophobicContact CG-CE1 3.65Å; F440-F493 HydrophobicContact CG-CZ 4.22Å; F440-F497 AromaticContact CD1-CE1 3.59Å; F440-F497 HydrophobicContact CD1-CE1 3.59Å; F440-F497 AromaticContact CD1-CZ 3.94Å; F440-F497 HydrophobicContact CD1-CZ 3.94Å; F440-F497 AromaticContact CE1-CE1 3.77Å; F440-F497 HydrophobicContact CE1-CE1 3.77Å; F440-F497 HydrophobicContact CE1-CZ 4.44Å; F440-F497 HydrophobicContact CG-CE1 4.39Å; F440-L498 HydrophobicContact CE1-CD2 4.44Å; F440-L498 HydrophobicContact CZ-CD2 3.97Å; F440-L501 HydrophobicContact CE1-CD2 3.69Å; F440-L501 HydrophobicContact CZ-CD2 4.46Å
441	R	95.9	Very high	96.6	Very high	31 Å²	31	14.3 Å²	14.3	12%	0.117	7%	0.069	C	C	.	.	H	α-helix	trans	-55.8	-50.7	171.3	164.6	-176.6	-178.9	172.7	3.3	111.2	E177 L179 I437 K438 L443 V444 E445 W534	E177-R441 PolarHBondContact O-NH2 3.11Å; L179-R441 HydrophobicContact CD1-CG 3.98Å; I437-R441 PolarHBondContact O-N 3.47Å; K438-R441 WeakPolarHBondContact O-CB 3.43Å; K438-R441 PolarHBondContact O-N 2.89Å; R441-L443 VanDerWaalsContact C-N 3.3Å; R441-L443 PolarHBondContact O-N 2.75Å; R441-V444 PolarHBondContact O-N 2.78Å; R441-E445 PolarHBondContact O-N 2.67Å; R441-W534 HydrophobicContact CB-CD2 4.1Å; R441-W534 HydrophobicContact CB-CE3 3.93Å; R441-W534 HydrophobicContact CB-CZ3 4.19Å; R441-W534 HydrophobicContact CG-CB 4.29Å; R441-W534 HydrophobicContact CG-CD2 3.63Å; R441-W534 HydrophobicContact CG-CE3 3.99Å; R441-W534 HydrophobicContact CG-CG 3.74Å
442	E	95.6	Very high	96.6	Very high	8 Å²	8	14 Å²	14	4%	0.037	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-35.6	180	-67.5	-175.5	-175.4	0	0	112.2	L179 L184 Y433 K438 G439 F440 R446	L179-E442 HydrophobicContact CD1-CG 4.03Å; L184-E442 HydrophobicContact CD2-CB 4.14Å; L184-E442 HydrophobicContact CD2-CG 3.66Å; Y433-E442 WeakPolarHBondContact CE1-OE2 3.46Å; Y433-E442 PolarHBondContact OH-OE1 3.01Å; Y433-E442 VanDerWaalsContact OH-OE1 3.06Å; Y433-E442 PolarHBondContact OH-OE2 2.83Å; K438-E442 VanDerWaalsContact CE-OE1 3.29Å; K438-E442 WeakPolarHBondContact CE-OE1 3.45Å; K438-E442 WeakPolarHBondContact O-CG 3.37Å; K438-E442 PolarHBondContact O-N 3.1Å; G439-E442 PolarHBondContact O-N 3.12Å; F440-E442 PolarHBondContact O-N 2.91Å; E442-R446 VanDerWaalsContact O-CB 3.32Å; E442-R446 WeakPolarHBondContact O-CB 3.42Å; E442-R446 VanDerWaalsContact O-CG 3.29Å; E442-R446 WeakPolarHBondContact O-CG 3.42Å; E442-R446 PolarHBondContact O-N 3.18Å
443	L	97.7	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-48.2	174.2	-179	71.2	0	0	0	111.1	K427 L428 Y434 G439 F440 R441 E447 W476	K427-L443 HydrophobicContact CB-CD1 3.78Å; K427-L443 HydrophobicContact CD-CD1 3.77Å; K427-L443 HydrophobicContact CG-CD1 4.4Å; L428-L443 HydrophobicContact CD1-CD2 3.97Å; L428-L443 HydrophobicContact CD2-CD2 3.8Å; L428-L443 HydrophobicContact CG-CD2 3.57Å; Y434-L443 HydrophobicContact CD1-CB 3.83Å; Y434-L443 HydrophobicContact CD1-CD1 4.07Å; Y434-L443 HydrophobicContact CD1-CG 4.47Å; Y434-L443 HydrophobicContact CD2-CD1 4.49Å; Y434-L443 HydrophobicContact CE1-CD1 4.34Å; Y434-L443 HydrophobicContact CG-CB 4.31Å; Y434-L443 HydrophobicContact CG-CD1 4.16Å; G439-L443 WeakPolarHBondContact O-CB 3.35Å; G439-L443 PolarHBondContact O-N 3.02Å; F440-L443 WeakPolarHBondContact O-CB 3.48Å; F440-L443 PolarHBondContact O-N 2.78Å; R441-L443 VanDerWaalsContact C-N 3.3Å; R441-L443 PolarHBondContact O-N 2.75Å; L443-E447 HydrophobicContact CD1-CG 3.79Å; L443-E447 VanDerWaalsContact O-CB 3.31Å; L443-E447 WeakPolarHBondContact O-CB 3.22Å; L443-E447 PolarHBondContact O-N 3.2Å; L443-W476 HydrophobicContact CD2-CZ2 4.11Å
444	V	97.7	Very high	96.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-66.1	-46.1	178.9	177.9	0	0	0	0	110.7	F440 R441 R446 W448 V449 F473 W476 F513 W534	F440-V444 HydrophobicContact CD1-CG2 4.2Å; F440-V444 HydrophobicContact CE1-CG2 3.92Å; F440-V444 HydrophobicContact CZ-CG2 4.47Å; F440-V444 WeakPolarHBondContact O-CG2 3.28Å; F440-V444 PolarHBondContact O-N 3.02Å; R441-V444 PolarHBondContact O-N 2.78Å; V444-R446 PolarHBondContact O-N 3.14Å; V444-W448 HydrophobicContact CG1-CB 4.26Å; V444-W448 HydrophobicContact CG1-CG 4.43Å; V444-W448 WeakPolarHBondContact O-CA 3.47Å; V444-W448 VanDerWaalsContact O-CB 3.24Å; V444-W448 WeakPolarHBondContact O-CB 3.34Å; V444-W448 PolarHBondContact O-N 2.83Å; V444-V449 PolarHBondContact O-N 3.26Å; V444-V449 VanDerWaalsContact O-N 3.12Å; V444-F473 HydrophobicContact CG1-CE2 4.25Å; V444-F473 HydrophobicContact CG1-CZ 4.2Å; V444-W476 HydrophobicContact CG2-CH2 3.89Å; V444-W476 HydrophobicContact CG2-CZ3 4.13Å; V444-F513 HydrophobicContact CG1-CE1 3.95Å; V444-F513 HydrophobicContact CG1-CZ 4.22Å; V444-W534 HydrophobicContact CB-CH2 3.81Å; V444-W534 HydrophobicContact CB-CZ2 3.74Å; V444-W534 HydrophobicContact CG1-CH2 3.95Å; V444-W534 HydrophobicContact CG1-CZ2 3.66Å; V444-W534 HydrophobicContact CG2-CH2 4.09Å
445	E	95.5	Very high	96.7	Very high	20 Å²	20	13 Å²	13	9%	0.093	6%	0.061	C	C	.	.	I	π-helix	trans	-63.9	-39.3	178.5	-76.6	-69.1	171.7	0	0	112.8	L179 L184 R441 V449 G450 T512 R521 W534	L179-E445 HydrophobicContact CD1-CB 4.38Å; L179-E445 HydrophobicContact CD1-CG 4.21Å; L184-E445 HydrophobicContact CD1-CB 4.49Å; R441-E445 PolarHBondContact O-N 2.67Å; E445-V449 WeakPolarHBondContact O-CB 3.4Å; E445-G450 WeakPolarHBondContact O-CA 3.49Å; E445-G450 PolarHBondContact O-N 3.48Å; E445-T512 WeakPolarHBondContact OE1-CG2 3.42Å; E445-R521 IonicContact OE1-NH1 2.75Å; E445-R521 IonicContact OE2-NH1 2.69Å; E445-R521 PolarHBondContact OE2-NH1 3.2Å; E445-W534 PolarHBondContact OE1-NE1 3.29Å
446	R	95.1	Very high	96.7	Very high	13 Å²	13	13.2 Å²	13.2	5%	0.049	6%	0.063	C	C	.	.	I	π-helix	trans	-75.4	-56.8	177.6	-68.2	-173.2	75	-139.9	-6.1	111.9	L184 E188 E442 V444 G450 F451	L184-R446 HydrophobicContact CB-CG 4.19Å; L184-R446 HydrophobicContact CD1-CG 3.88Å; E188-R446 VanDerWaalsContact CG-NH1 3.3Å; E188-R446 IonicContact OE2-CZ 3.11Å; E188-R446 IonicContact OE2-NH1 3.36Å; E188-R446 PolarHBondContact OE2-NH1 2.86Å; E442-R446 VanDerWaalsContact O-CB 3.32Å; E442-R446 WeakPolarHBondContact O-CB 3.42Å; E442-R446 VanDerWaalsContact O-CG 3.29Å; E442-R446 WeakPolarHBondContact O-CG 3.42Å; E442-R446 PolarHBondContact O-N 3.18Å; V444-R446 PolarHBondContact O-N 3.14Å; R446-G450 VanDerWaalsContact O-CA 3.32Å; R446-G450 WeakPolarHBondContact O-CA 3.37Å; R446-G450 PolarHBondContact O-N 3.17Å; R446-F451 VanDerWaalsContact O-CD2 3.25Å; R446-F451 WeakPolarHBondContact O-CD2 3.32Å; R446-F451 PolarHBondContact O-N 3.23Å
447	E	97.7	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-80.9	-34.1	-166.7	-59.7	-54	149.5	0	0	113.6	R257 T420 V423 K427 L443	R257-E447 IonicContact CZ-OE2 2.81Å; R257-E447 PolarHBondContact NH1-O 2.73Å; R257-E447 IonicContact NH1-OE2 3.74Å; R257-E447 PolarHBondContact NH1-OE2 3.42Å; T420-E447 HydrophobicContact CG2-CB 4.5Å; T420-E447 VanDerWaalsContact CG2-O 3.22Å; T420-E447 WeakPolarHBondContact CG2-O 3.26Å; V423-E447 HydrophobicContact CG1-CG 4.39Å; V423-E447 WeakPolarHBondContact CG1-OE2 3.22Å; K427-E447 HydrophobicContact CD-CG 4.11Å; K427-E447 IonicContact NZ-OE1 3.05Å; K427-E447 PolarHBondContact NZ-OE1 3.44Å; L443-E447 HydrophobicContact CD1-CG 3.79Å; L443-E447 VanDerWaalsContact O-CB 3.31Å; L443-E447 WeakPolarHBondContact O-CB 3.22Å; L443-E447 PolarHBondContact O-N 3.2Å
448	W	98.2	Very high	96.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-94.1	-59.1	-178.7	-66	75.5	0	0	0	111.4	T420 Q421 S424 V444 G452 H453 F455 V472 F473 W476	T420-W448 HydrophobicContact CG2-CB 4.28Å; T420-W448 HydrophobicContact CG2-CD2 3.43Å; T420-W448 VanDerWaalsContact CG2-CD2 3.43Å; T420-W448 HydrophobicContact CG2-CE3 3.85Å; T420-W448 HydrophobicContact CG2-CG 3.63Å; T420-W448 HydrophobicContact CG2-CH2 4.43Å; T420-W448 HydrophobicContact CG2-CZ2 4.05Å; T420-W448 HydrophobicContact CG2-CZ3 4.34Å; Q421-W448 HydrophobicContact CG-CH2 3.72Å; Q421-W448 HydrophobicContact CG-CZ2 4.15Å; S424-W448 PolarHBondContact OG-NE1 3.06Å; V444-W448 HydrophobicContact CG1-CB 4.26Å; V444-W448 HydrophobicContact CG1-CG 4.43Å; V444-W448 WeakPolarHBondContact O-CA 3.47Å; V444-W448 VanDerWaalsContact O-CB 3.24Å; V444-W448 WeakPolarHBondContact O-CB 3.34Å; V444-W448 PolarHBondContact O-N 2.83Å; W448-G452 PolarHBondContact O-N 3.23Å; W448-H453 HydrophobicContact CB-CB 4.43Å; W448-H453 HydrophobicContact CE3-CB 3.99Å; W448-H453 AromaticContact CE3-CD2 3.62Å; W448-H453 AromaticContact CE3-CG 3.59Å; W448-H453 AromaticContact CZ3-CD2 3.84Å; W448-H453 AromaticContact CZ3-CE1 3.89Å; W448-H453 AromaticContact CZ3-CG 3.91Å; W448-H453 AromaticContact CZ3-ND1 3.94Å; W448-H453 AromaticContact CZ3-NE2 3.84Å; W448-H453 VanDerWaalsContact O-CB 3.22Å; W448-H453 WeakPolarHBondContact O-CB 3.37Å; W448-H453 PolarHBondContact O-N 3.41Å; W448-F455 HydrophobicContact CB-CE2 3.79Å; W448-F455 HydrophobicContact CB-CZ 3.73Å; W448-F455 HydrophobicContact CD2-CZ 4.32Å; W448-F455 HydrophobicContact CE3-CE1 4.25Å; W448-F455 AromaticContact CE3-CZ 3.87Å; W448-F455 HydrophobicContact CE3-CZ 3.87Å; W448-F455 HydrophobicContact CG-CZ 4.32Å; W448-V472 HydrophobicContact CH2-CG1 4.3Å; W448-V472 HydrophobicContact CZ3-CG1 4.24Å; W448-F473 AromaticContact CD2-CD2 3.66Å; W448-F473 HydrophobicContact CD2-CD2 3.66Å; W448-F473 AromaticContact CD2-CE2 3.91Å; W448-F473 HydrophobicContact CD2-CE2 3.91Å; W448-F473 AromaticContact CE2-CD2 3.85Å; W448-F473 HydrophobicContact CE3-CB 4.39Å; W448-F473 AromaticContact CE3-CD2 3.48Å; W448-F473 HydrophobicContact CE3-CD2 3.48Å; W448-F473 VanDerWaalsContact CE3-CD2 3.48Å; W448-F473 HydrophobicContact CE3-CE2 4.17Å; W448-F473 HydrophobicContact CE3-CG 4.34Å; W448-F473 HydrophobicContact CG-CD2 4.47Å; W448-F473 HydrophobicContact CG-CE2 4.3Å; W448-F473 HydrophobicContact CH2-CB 4.3Å; W448-F473 AromaticContact CH2-CD2 3.75Å; W448-F473 HydrophobicContact CH2-CD2 3.75Å; W448-F473 AromaticContact CZ2-CD2 3.93Å; W448-F473 HydrophobicContact CZ2-CD2 3.93Å; W448-F473 HydrophobicContact CZ2-CE2 4.46Å; W448-F473 HydrophobicContact CZ3-CB 3.85Å; W448-F473 AromaticContact CZ3-CD2 3.53Å; W448-F473 HydrophobicContact CZ3-CD2 3.53Å; W448-F473 HydrophobicContact CZ3-CG 4.17Å; W448-W476 HydrophobicContact CH2-CB 3.7Å; W448-W476 HydrophobicContact CH2-CD2 4.45Å; W448-W476 AromaticContact CH2-CG 3.99Å; W448-W476 HydrophobicContact CH2-CG 3.99Å; W448-W476 HydrophobicContact CZ2-CB 3.57Å; W448-W476 AromaticContact CZ2-CD1 3.72Å; W448-W476 AromaticContact CZ2-CD2 3.52Å; W448-W476 HydrophobicContact CZ2-CD2 3.52Å; W448-W476 AromaticContact CZ2-CE3 3.99Å; W448-W476 HydrophobicContact CZ2-CE3 3.99Å; W448-W476 AromaticContact CZ2-CG 3.32Å; W448-W476 HydrophobicContact CZ2-CG 3.32Å; W448-W476 AromaticContact NE1-CE2 3.92Å
449	V	96.1	Very high	96.7	Very high	7 Å²	7	10.1 Å²	10.1	4%	0.042	5%	0.048	C	C	.	.	I	π-helix	trans	-71.9	-52.8	-178.4	177.3	0	0	0	0	110.6	V444 E445 F451 G452 F455 F513	V444-V449 PolarHBondContact O-N 3.26Å; V444-V449 VanDerWaalsContact O-N 3.12Å; E445-V449 WeakPolarHBondContact O-CB 3.4Å; V449-F451 PolarHBondContact O-N 3.45Å; V449-G452 PolarHBondContact O-N 3.27Å; V449-F455 HydrophobicContact CG2-CE2 4.02Å; V449-F513 HydrophobicContact CG2-CE1 4.49Å
450	G	95.4	Very high	96.6	Very high	7 Å²	7	10.2 Å²	10.2	7%	0.072	5%	0.049	C	C	.	.	I	π-helix	trans	-62.2	-44.4	-172.5	0	0	0	0	0	113	Y214 P215 E445 R446 G452	Y214-G450 CarbonylContact C-O 3.6Å; Y214-G450 VanDerWaalsContact C-O 3.31Å; P215-G450 VanDerWaalsContact CD-O 3.31Å; P215-G450 WeakPolarHBondContact CD-O 3.41Å; E445-G450 WeakPolarHBondContact O-CA 3.49Å; E445-G450 PolarHBondContact O-N 3.48Å; R446-G450 VanDerWaalsContact O-CA 3.32Å; R446-G450 WeakPolarHBondContact O-CA 3.37Å; R446-G450 PolarHBondContact O-N 3.17Å; G450-G452 VanDerWaalsContact C-N 3.26Å; G450-G452 PolarHBondContact O-N 2.94Å
451	F	97.8	Very high	96.1	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.013	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	18.3	175.2	-73.9	-78.6	0	0	0	114.3	S213 Y214 P215 W218 R240 A243 V245 R257 R446 V449	S213-F451 CarbonylContact O-C 3.52Å; S213-F451 VanDerWaalsContact O-O 3.1Å; Y214-F451 AromaticContact CD1-CD1 3.69Å; Y214-F451 HydrophobicContact CD1-CD1 3.69Å; Y214-F451 HydrophobicContact CD1-CE1 4.22Å; Y214-F451 HydrophobicContact CD2-CE1 4.26Å; Y214-F451 AromaticContact CE1-CD1 3.64Å; Y214-F451 HydrophobicContact CE1-CD1 3.64Å; Y214-F451 HydrophobicContact CE1-CE1 4.1Å; Y214-F451 HydrophobicContact CE2-CE1 4.18Å; Y214-F451 HydrophobicContact CG-CD1 4.13Å; Y214-F451 HydrophobicContact CG-CE1 4.28Å; P215-F451 HydrophobicContact CG-CD1 4.3Å; P215-F451 HydrophobicContact CG-CE1 3.95Å; P215-F451 HydrophobicContact CG-CE2 4.25Å; P215-F451 HydrophobicContact CG-CZ 3.92Å; W218-F451 HydrophobicContact CB-CZ 4.48Å; R240-F451 VanDerWaalsContact CZ-O 3.32Å; R240-F451 PolarHBondContact NH1-O 2.82Å; R240-F451 PolarHBondContact NH2-O 3.01Å; A243-F451 HydrophobicContact CB-CE1 3.78Å; A243-F451 HydrophobicContact CB-CZ 3.98Å; V245-F451 HydrophobicContact CG1-CE2 3.57Å; V245-F451 HydrophobicContact CG1-CZ 3.66Å; R257-F451 HydrophobicContact CG-CE1 4.36Å; R257-F451 HydrophobicContact CG-CZ 4.48Å; R257-F451 VanDerWaalsContact NH1-CB 3.34Å; R446-F451 VanDerWaalsContact O-CD2 3.25Å; R446-F451 WeakPolarHBondContact O-CD2 3.32Å; R446-F451 PolarHBondContact O-N 3.23Å; V449-F451 PolarHBondContact O-N 3.45Å
452	G	97.3	Very high	95.6	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.01	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	41	161.5	0	0	0	0	0	114.9	S213 W416 W448 V449 G450 K454 N516	S213-G452 WeakPolarHBondContact O-CA 3.47Å; S213-G452 PolarHBondContact O-N 3.39Å; W416-G452 WeakPolarHBondContact CB-O 3.08Å; W448-G452 PolarHBondContact O-N 3.23Å; V449-G452 PolarHBondContact O-N 3.27Å; G450-G452 VanDerWaalsContact C-N 3.26Å; G450-G452 PolarHBondContact O-N 2.94Å; G452-K454 PolarHBondContact O-N 2.78Å; G452-N516 CarbonylContact C-O 3.59Å; G452-N516 WeakPolarHBondContact CA-O 3.29Å
453	H	98.4	Very high	95	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.078	C	C	.	.			trans	-57.5	130.1	162.5	-177.7	68.5	0	0	0	109.4	W416 D417 W448 F455 N516	W416-H453 PolarHBondContact O-ND1 2.86Å; D417-H453 IonicContact OD1-CE1 2.74Å; D417-H453 PolarHBondContact OD1-CE1 3.39Å; D417-H453 IonicContact OD1-ND1 3.9Å; D417-H453 PolarHBondContact OD1-ND1 3.31Å; W448-H453 HydrophobicContact CB-CB 4.43Å; W448-H453 HydrophobicContact CE3-CB 3.99Å; W448-H453 AromaticContact CE3-CD2 3.62Å; W448-H453 AromaticContact CE3-CG 3.59Å; W448-H453 AromaticContact CZ3-CD2 3.84Å; W448-H453 AromaticContact CZ3-CE1 3.89Å; W448-H453 AromaticContact CZ3-CG 3.91Å; W448-H453 AromaticContact CZ3-ND1 3.94Å; W448-H453 AromaticContact CZ3-NE2 3.84Å; W448-H453 VanDerWaalsContact O-CB 3.22Å; W448-H453 WeakPolarHBondContact O-CB 3.37Å; W448-H453 PolarHBondContact O-N 3.41Å; H453-F455 HydrophobicContact CB-CD2 4.39Å; H453-F455 HydrophobicContact CB-CE2 4.25Å; H453-F455 AromaticContact CD2-CD1 3.6Å; H453-F455 AromaticContact CD2-CD2 3.93Å; H453-F455 AromaticContact CD2-CE1 3.73Å; H453-F455 AromaticContact CD2-CG 3.73Å; H453-F455 AromaticContact CD2-CZ 3.94Å; H453-F455 PolarHBondContact O-N 3.22Å; H453-N516 VanDerWaalsContact O-O 3.11Å
454	K	97.6	Very high	94.3	Very high	43 Å²	43	17.7 Å²	17.7	19%	0.187	10%	0.101	C	C	.	.			trans	-76.8	61.7	-173.3	-67.2	-175.8	148.5	-145.2	0	112.8	W416 G452 A456 E457 R458 N516	W416-K454 HydrophobicContact CD2-CD 4.32Å; W416-K454 HydrophobicContact CD2-CG 4.23Å; W416-K454 HydrophobicContact CH2-CD 4.19Å; W416-K454 VanDerWaalsContact CH2-CE 3.5Å; W416-K454 HydrophobicContact CZ2-CD 3.63Å; W416-K454 VanDerWaalsContact CZ2-CE 3.42Å; W416-K454 HydrophobicContact CZ2-CG 4.42Å; G452-K454 PolarHBondContact O-N 2.78Å; K454-A456 VanDerWaalsContact C-N 3.35Å; K454-A456 PolarHBondContact O-N 2.97Å; K454-E457 HydrophobicContact CB-CB 4.26Å; K454-E457 WeakPolarHBondContact CD-OE2 3.31Å; K454-E457 VanDerWaalsContact NZ-CD 3.31Å; K454-E457 IonicContact NZ-OE1 2.96Å; K454-E457 PolarHBondContact NZ-OE1 3.27Å; K454-E457 IonicContact NZ-OE2 3.28Å; K454-E457 PolarHBondContact NZ-OE2 2.94Å; K454-E457 PolarHBondContact O-N 3.39Å; K454-R458 HydrophobicContact CB-CG 4.33Å; K454-R458 WeakPolarHBondContact O-CB 3.27Å; K454-R458 WeakPolarHBondContact O-CG 3.37Å; K454-R458 PolarHBondContact O-N 3.28Å; K454-N516 VanDerWaalsContact CA-OD1 3.22Å; K454-N516 WeakPolarHBondContact CA-OD1 3.34Å; K454-N516 HydrophobicContact CB-CB 4.32Å; K454-N516 WeakPolarHBondContact CB-OD1 3.46Å; K454-N516 HydrophobicContact CG-CB 4.25Å; K454-N516 PolarHBondContact O-OD1 2.88Å
455	F	97.9	Very high	93.8	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-55	-46.2	-175.6	-78.9	-70.5	0	0	0	112.9	W448 V449 H453 E457 R458 L459 F473 F513	W448-F455 HydrophobicContact CB-CE2 3.79Å; W448-F455 HydrophobicContact CB-CZ 3.73Å; W448-F455 HydrophobicContact CD2-CZ 4.32Å; W448-F455 HydrophobicContact CE3-CE1 4.25Å; W448-F455 AromaticContact CE3-CZ 3.87Å; W448-F455 HydrophobicContact CE3-CZ 3.87Å; W448-F455 HydrophobicContact CG-CZ 4.32Å; V449-F455 HydrophobicContact CG2-CE2 4.02Å; H453-F455 HydrophobicContact CB-CD2 4.39Å; H453-F455 HydrophobicContact CB-CE2 4.25Å; H453-F455 AromaticContact CD2-CD1 3.6Å; H453-F455 AromaticContact CD2-CD2 3.93Å; H453-F455 AromaticContact CD2-CE1 3.73Å; H453-F455 AromaticContact CD2-CG 3.73Å; H453-F455 AromaticContact CD2-CZ 3.94Å; H453-F455 PolarHBondContact O-N 3.22Å; F455-E457 VanDerWaalsContact C-N 3.32Å; F455-E457 PolarHBondContact O-N 3.1Å; F455-R458 PolarHBondContact O-N 3.26Å; F455-L459 HydrophobicContact CB-CD1 3.99Å; F455-L459 HydrophobicContact CD1-CD1 3.64Å; F455-L459 HydrophobicContact CD1-CG 4.23Å; F455-L459 HydrophobicContact CG-CD1 4.29Å; F455-L459 VanDerWaalsContact O-CB 3.22Å; F455-L459 WeakPolarHBondContact O-CB 3.46Å; F455-L459 WeakPolarHBondContact O-CG 3.49Å; F455-L459 PolarHBondContact O-N 3.4Å; F455-F473 HydrophobicContact CE1-CB 3.95Å; F455-F473 AromaticContact CE1-CD1 3.96Å; F455-F473 HydrophobicContact CE1-CD1 3.96Å; F455-F473 AromaticContact CE1-CD2 3.93Å; F455-F473 HydrophobicContact CE1-CD2 3.93Å; F455-F473 HydrophobicContact CE1-CE1 4.41Å; F455-F473 HydrophobicContact CE1-CE2 4.38Å; F455-F473 AromaticContact CE1-CG 3.68Å; F455-F473 HydrophobicContact CE1-CG 3.68Å; F455-F473 HydrophobicContact CZ-CD2 4.14Å; F455-F473 HydrophobicContact CZ-CE2 4.29Å; F455-F473 HydrophobicContact CZ-CG 4.36Å; F455-F513 HydrophobicContact CB-CB 4.22Å; F455-F513 VanDerWaalsContact CB-O 3.3Å; F455-F513 WeakPolarHBondContact CB-O 3.46Å; F455-F513 HydrophobicContact CD1-CB 4.07Å; F455-F513 HydrophobicContact CD1-CD1 4.07Å; F455-F513 HydrophobicContact CD1-CG 4.28Å; F455-F513 AromaticContact CD2-CD1 3.99Å; F455-F513 HydrophobicContact CD2-CD1 3.99Å; F455-F513 AromaticContact CE1-CD1 3.74Å; F455-F513 HydrophobicContact CE1-CD1 3.74Å; F455-F513 HydrophobicContact CE1-CE1 4.25Å; F455-F513 HydrophobicContact CE1-CG 4.24Å; F455-F513 AromaticContact CE2-CD1 3.68Å; F455-F513 HydrophobicContact CE2-CD1 3.68Å; F455-F513 HydrophobicContact CE2-CE1 4.17Å; F455-F513 HydrophobicContact CG-CB 4.06Å; F455-F513 HydrophobicContact CG-CD1 4.17Å; F455-F513 AromaticContact CZ-CD1 3.53Å; F455-F513 HydrophobicContact CZ-CD1 3.53Å; F455-F513 AromaticContact CZ-CE1 3.8Å; F455-F513 HydrophobicContact CZ-CE1 3.8Å; F455-F513 HydrophobicContact CZ-CG 4.46Å
456	A	95.8	Very high	93.4	Very high	6 Å²	6	25.8 Å²	25.8	5%	0.05	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-42.9	-178.4	0	0	0	0	0	112.4	K454 G460 M461 L514 N516	K454-A456 VanDerWaalsContact C-N 3.35Å; K454-A456 PolarHBondContact O-N 2.97Å; A456-G460 WeakPolarHBondContact O-CA 3.5Å; A456-G460 PolarHBondContact O-N 3.21Å; A456-M461 HydrophobicContact CB-CB 4.32Å; A456-M461 PolarHBondContact O-N 3.48Å; A456-L514 WeakPolarHBondContact CB-O 3.42Å; A456-N516 WeakPolarHBondContact CB-OD1 3.34Å; A456-N516 PolarHBondContact N-OD1 3.45Å; A456-N516 VanDerWaalsContact N-OD1 3.1Å
457	E	95.9	Very high	93.3	Very high	55 Å²	55	29 Å²	29	26%	0.257	16%	0.162	S	C	.	.	H	α-helix	trans	-71.9	-48.8	176.1	-72.7	175.2	-148	0	0	112.2	K454 F455 L459 G460 Q468 R469 N516	K454-E457 HydrophobicContact CB-CB 4.26Å; K454-E457 WeakPolarHBondContact CD-OE2 3.31Å; K454-E457 VanDerWaalsContact NZ-CD 3.31Å; K454-E457 IonicContact NZ-OE1 2.96Å; K454-E457 PolarHBondContact NZ-OE1 3.27Å; K454-E457 IonicContact NZ-OE2 3.28Å; K454-E457 PolarHBondContact NZ-OE2 2.94Å; K454-E457 PolarHBondContact O-N 3.39Å; F455-E457 VanDerWaalsContact C-N 3.32Å; F455-E457 PolarHBondContact O-N 3.1Å; E457-L459 PolarHBondContact O-N 2.91Å; E457-G460 PolarHBondContact O-N 3.3Å; E457-Q468 HydrophobicContact CB-CB 4.08Å; E457-Q468 HydrophobicContact CG-CB 4.5Å; E457-R469 WeakPolarHBondContact O-CG 3.26Å; E457-N516 PolarHBondContact N-OD1 3.36Å; E457-N516 VanDerWaalsContact N-OD1 3.1Å; E457-N516 PolarHBondContact OE1-ND2 3.17Å
458	R	97	Very high	93.1	Very high	11 Å²	11	31.8 Å²	31.8	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-40.5	-173.1	-66	-71.5	176.2	-90.6	-0.1	112.1	D417 K454 F455 Q468 A470	D417-R458 IonicContact OD1-CZ 2.72Å; D417-R458 IonicContact OD1-NE 2.69Å; D417-R458 PolarHBondContact OD1-NE 3.31Å; D417-R458 IonicContact OD1-NH2 3.94Å; D417-R458 IonicContact OD2-CZ 3.84Å; D417-R458 IonicContact OD2-NE 3.89Å; D417-R458 PolarHBondContact OD2-NE 3.49Å; D417-R458 IonicContact OD2-NH2 2.84Å; D417-R458 PolarHBondContact OD2-NH2 3.38Å; K454-R458 HydrophobicContact CB-CG 4.33Å; K454-R458 WeakPolarHBondContact O-CB 3.27Å; K454-R458 WeakPolarHBondContact O-CG 3.37Å; K454-R458 PolarHBondContact O-N 3.28Å; F455-R458 PolarHBondContact O-N 3.26Å; R458-Q468 WeakPolarHBondContact CD-O 3.43Å; R458-Q468 PolarHBondContact NH1-O 3.13Å; R458-A470 PolarHBondContact O-N 2.71Å
459	L	95.5	Very high	93	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.7	178.2	-50.2	171.4	0	0	0	112.6	K110 F455 E457 M461 A505 Y506 F513	K110-L459 VanDerWaalsContact CD-O 3.31Å; K110-L459 WeakPolarHBondContact CD-O 3.42Å; K110-L459 WeakPolarHBondContact CE-O 3.31Å; K110-L459 PolarHBondContact NZ-O 3.39Å; F455-L459 HydrophobicContact CB-CD1 3.99Å; F455-L459 HydrophobicContact CD1-CD1 3.64Å; F455-L459 HydrophobicContact CD1-CG 4.23Å; F455-L459 HydrophobicContact CG-CD1 4.29Å; F455-L459 VanDerWaalsContact O-CB 3.22Å; F455-L459 WeakPolarHBondContact O-CB 3.46Å; F455-L459 WeakPolarHBondContact O-CG 3.49Å; F455-L459 PolarHBondContact O-N 3.4Å; E457-L459 PolarHBondContact O-N 2.91Å; L459-M461 HydrophobicContact CB-CE 3.59Å; L459-M461 HydrophobicContact CB-CG 4.12Å; L459-M461 HydrophobicContact CB-SD 4.49Å; L459-M461 HydrophobicContact CD1-CE 3.53Å; L459-M461 HydrophobicContact CG-CE 4.21Å; L459-A505 WeakPolarHBondContact CD1-O 3.46Å; L459-Y506 HydrophobicContact CB-CD1 4.21Å; L459-Y506 HydrophobicContact CB-CE1 3.99Å; L459-Y506 HydrophobicContact CD2-CD1 4.09Å; L459-Y506 HydrophobicContact CD2-CE1 3.37Å; L459-Y506 HydrophobicContact CD2-CE2 4.24Å; L459-Y506 VanDerWaalsContact CD2-CZ 3.45Å; L459-Y506 WeakPolarHBondContact CD2-OH 3.3Å; L459-Y506 HydrophobicContact CG-CE1 4.28Å; L459-F513 HydrophobicContact CD1-CB 4.02Å
460	G	92.5	Very high	93	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	48.9	-180	0	0	0	0	0	112.9	K110 A456 E457	K110-G460 PolarHBondContact NZ-O 3.01Å; A456-G460 WeakPolarHBondContact O-CA 3.5Å; A456-G460 PolarHBondContact O-N 3.21Å; E457-G460 PolarHBondContact O-N 3.3Å
461	M	88.4	Confident	93.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	18%	0.181	C	C	.	.			trans	-73.9	-29.2	-176	-68.6	-62	173.2	0	0	113.6	L92 P139 A456 L459 A505 L514	L92-M461 HydrophobicContact CD2-CE 4.45Å; L92-M461 HydrophobicContact CD2-SD 3.39Å; L92-M461 WeakPolarHBondContact CD2-SD 3.4Å; L92-M461 HydrophobicContact CG-SD 3.95Å; P139-M461 WeakPolarHBondContact CD-O 3.49Å; P139-M461 WeakPolarHBondContact CG-O 3.26Å; A456-M461 HydrophobicContact CB-CB 4.32Å; A456-M461 PolarHBondContact O-N 3.48Å; L459-M461 HydrophobicContact CB-CE 3.59Å; L459-M461 HydrophobicContact CB-CG 4.12Å; L459-M461 HydrophobicContact CB-SD 4.49Å; L459-M461 HydrophobicContact CD1-CE 3.53Å; L459-M461 HydrophobicContact CG-CE 4.21Å; M461-A505 WeakPolarHBondContact CE-O 3.3Å; M461-L514 HydrophobicContact CG-CD2 4.49Å; M461-L514 HydrophobicContact SD-CD2 4.09Å
462	Q	85.7	Confident	93.2	Very high	50 Å²	50	33.6 Å²	33.6	23%	0.234	18%	0.181	C	C	.	.	S	Bend	trans	-130.5	171	179.3	-64	-176.7	-82.1	0	0	110.1	L142 G464	L142-Q462 HydrophobicContact CD1-CG 3.95Å; Q462-G464 PolarHBondContact O-N 3.19Å
463	N	81.5	Confident	93.2	Very high	97 Å²	97	33.6 Å²	33.6	52%	0.519	18%	0.181	S	C	.	.	S	Bend	trans	-61.8	130.7	171.4	-162.9	9.5	0	0	0	110.3	A138 P139 Y140	A138-N463 HydrophobicContact CB-CB 4.08Å; P139-N463 PolarHBondContact O-N 3.11Å; P139-N463 VanDerWaalsContact O-N 3.1Å; Y140-N463 WeakPolarHBondContact CE1-ND2 3.36Å
464	G	84	Confident	93.2	Very high	45 Å²	45	33.6 Å²	33.6	46%	0.464	18%	0.181	S	C	.	.			trans	179.8	179.4	-171.7	0	0	0	0	0	112.5	Q462 L466	Q462-G464 PolarHBondContact O-N 3.19Å; G464-L466 PolarHBondContact O-N 3.12Å; G464-L466 VanDerWaalsContact O-N 3.14Å
465	D	87.4	Confident	93.2	Very high	83 Å²	83	31.8 Å²	31.8	44%	0.444	17%	0.174	S	C	.	.			trans	-63.9	113.7	-178.9	176.4	17.2	0	0	0	111.4	N467 Q468	D465-N467 PolarHBondContact O-N 2.97Å; D465-N467 VanDerWaalsContact O-N 3.08Å; D465-N467 VanDerWaalsContact OD1-CB 3.32Å; D465-N467 WeakPolarHBondContact OD1-CB 3.34Å; D465-N467 PolarHBondContact OD1-N 2.82Å; D465-N467 PolarHBondContact OD1-ND2 3.14Å; D465-N467 VanDerWaalsContact OD1-ND2 3.1Å; D465-Q468 HydrophobicContact CB-CG 3.97Å; D465-Q468 WeakPolarHBondContact O-CB 3.48Å; D465-Q468 PolarHBondContact O-N 3.42Å; D465-Q468 PolarHBondContact OD2-NE2 3.4Å
466	L	86.5	Confident	93.2	Very high	107 Å²	107	31.7 Å²	31.7	56%	0.56	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-57.5	-24.5	177.8	-61.3	178.7	0	0	0	112.4	G464 Q468 R469	G464-L466 PolarHBondContact O-N 3.12Å; G464-L466 VanDerWaalsContact O-N 3.14Å; L466-Q468 PolarHBondContact O-N 3.15Å; L466-R469 PolarHBondContact O-N 2.91Å
467	N	92.7	Very high	93.3	Very high	82 Å²	82	31.4 Å²	31.4	44%	0.439	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-72	-17.5	177.9	-64	-58.6	0	0	0	113.6	H353 R356 D465 R469	H353-N467 PolarHBondContact CE1-O 3.36Å; H353-N467 PolarHBondContact ND1-O 3.21Å; H353-N467 VanDerWaalsContact ND1-O 3.16Å; R356-N467 PolarHBondContact NH2-OD1 3.42Å; D465-N467 PolarHBondContact O-N 2.97Å; D465-N467 VanDerWaalsContact O-N 3.08Å; D465-N467 VanDerWaalsContact OD1-CB 3.32Å; D465-N467 WeakPolarHBondContact OD1-CB 3.34Å; D465-N467 PolarHBondContact OD1-N 2.82Å; D465-N467 PolarHBondContact OD1-ND2 3.14Å; D465-N467 VanDerWaalsContact OD1-ND2 3.1Å; N467-R469 VanDerWaalsContact C-N 3.35Å
468	Q	94.7	Very high	93.3	Very high	57 Å²	57	29.2 Å²	29.2	27%	0.266	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-83.7	-8.1	175.7	-59.5	-57	-37.4	0	0	113.5	E457 R458 D465 L466	E457-Q468 HydrophobicContact CB-CB 4.08Å; E457-Q468 HydrophobicContact CG-CB 4.5Å; R458-Q468 WeakPolarHBondContact CD-O 3.43Å; R458-Q468 PolarHBondContact NH1-O 3.13Å; D465-Q468 HydrophobicContact CB-CG 3.97Å; D465-Q468 WeakPolarHBondContact O-CB 3.48Å; D465-Q468 PolarHBondContact O-N 3.42Å; D465-Q468 PolarHBondContact OD2-NE2 3.4Å; L466-Q468 PolarHBondContact O-N 3.15Å
469	R	94.8	Very high	93.3	Very high	39 Å²	39	28.7 Å²	28.7	15%	0.147	16%	0.159	C	C	.	.			trans	-75.3	138	177.2	-63.5	179.8	-178.8	-172.9	-1	110.7	R356 E457 L466 N467	R356-R469 WeakPolarHBondContact CD-O 3.39Å; R356-R469 PolarHBondContact NE-O 3.25Å; E457-R469 WeakPolarHBondContact O-CG 3.26Å; L466-R469 PolarHBondContact O-N 2.91Å; N467-R469 VanDerWaalsContact C-N 3.35Å
470	A	97.1	Very high	93.3	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.041	16%	0.158	C	C	.	.			trans	-167.1	144.9	171.8	0	0	0	0	0	110.9	I352 R356 R458 V472	I352-A470 HydrophobicContact CB-CB 3.76Å; I352-A470 HydrophobicContact CG2-CB 4.35Å; I352-A470 WeakPolarHBondContact O-CB 3.28Å; R356-A470 HydrophobicContact CB-CB 4.39Å; R458-A470 PolarHBondContact O-N 2.71Å; A470-V472 HydrophobicContact CB-CG2 3.85Å; A470-V472 PolarHBondContact O-N 3.4Å
471	P	97.2	Very high	93.4	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.052	16%	0.158	C	C	.	.			trans	-78.5	49.8	-178.7	35	-38.1	0	0	0	112.3	I355 F359 W383 L474 Q475	I355-P471 HydrophobicContact CG2-CG 4.05Å; F359-P471 HydrophobicContact CB-CG 3.66Å; F359-P471 HydrophobicContact CD1-CB 4.15Å; F359-P471 HydrophobicContact CD1-CG 3.85Å; F359-P471 HydrophobicContact CD2-CG 4.26Å; F359-P471 HydrophobicContact CE1-CB 4.4Å; F359-P471 HydrophobicContact CG-CB 4.27Å; F359-P471 HydrophobicContact CG-CG 3.66Å; W383-P471 HydrophobicContact CH2-CB 4.46Å; W383-P471 HydrophobicContact CH2-CG 4.02Å; W383-P471 HydrophobicContact CZ3-CG 4.12Å; P471-L474 HydrophobicContact CB-CB 4.15Å; P471-L474 HydrophobicContact CB-CD2 4.36Å; P471-L474 PolarHBondContact O-N 3.4Å; P471-Q475 VanDerWaalsContact O-CB 3.24Å; P471-Q475 WeakPolarHBondContact O-CB 3.34Å; P471-Q475 PolarHBondContact O-N 3.46Å
472	V	98.6	Very high	93.6	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-45.7	-173.8	-179.6	0	0	0	0	111.6	I352 D417 Q421 W448 A470 W476	I352-V472 HydrophobicContact CG2-CG2 4.2Å; D417-V472 HydrophobicContact CB-CG1 4.25Å; Q421-V472 HydrophobicContact CG-CG1 3.85Å; Q421-V472 PolarHBondContact NE2-O 3.41Å; W448-V472 HydrophobicContact CH2-CG1 4.3Å; W448-V472 HydrophobicContact CZ3-CG1 4.24Å; A470-V472 HydrophobicContact CB-CG2 3.85Å; A470-V472 PolarHBondContact O-N 3.4Å; V472-W476 PolarHBondContact O-N 3.08Å
473	F	98.7	Very high	94	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-69.8	-40.9	177.5	-171.9	-122	0	0	0	111.9	V444 W448 F455 Q475 W476 L477 L501 A505 F513	V444-F473 HydrophobicContact CG1-CE2 4.25Å; V444-F473 HydrophobicContact CG1-CZ 4.2Å; W448-F473 AromaticContact CD2-CD2 3.66Å; W448-F473 HydrophobicContact CD2-CD2 3.66Å; W448-F473 AromaticContact CD2-CE2 3.91Å; W448-F473 HydrophobicContact CD2-CE2 3.91Å; W448-F473 AromaticContact CE2-CD2 3.85Å; W448-F473 HydrophobicContact CE3-CB 4.39Å; W448-F473 AromaticContact CE3-CD2 3.48Å; W448-F473 HydrophobicContact CE3-CD2 3.48Å; W448-F473 VanDerWaalsContact CE3-CD2 3.48Å; W448-F473 HydrophobicContact CE3-CE2 4.17Å; W448-F473 HydrophobicContact CE3-CG 4.34Å; W448-F473 HydrophobicContact CG-CD2 4.47Å; W448-F473 HydrophobicContact CG-CE2 4.3Å; W448-F473 HydrophobicContact CH2-CB 4.3Å; W448-F473 AromaticContact CH2-CD2 3.75Å; W448-F473 HydrophobicContact CH2-CD2 3.75Å; W448-F473 AromaticContact CZ2-CD2 3.93Å; W448-F473 HydrophobicContact CZ2-CD2 3.93Å; W448-F473 HydrophobicContact CZ2-CE2 4.46Å; W448-F473 HydrophobicContact CZ3-CB 3.85Å; W448-F473 AromaticContact CZ3-CD2 3.53Å; W448-F473 HydrophobicContact CZ3-CD2 3.53Å; W448-F473 HydrophobicContact CZ3-CG 4.17Å; F455-F473 HydrophobicContact CE1-CB 3.95Å; F455-F473 AromaticContact CE1-CD1 3.96Å; F455-F473 HydrophobicContact CE1-CD1 3.96Å; F455-F473 AromaticContact CE1-CD2 3.93Å; F455-F473 HydrophobicContact CE1-CD2 3.93Å; F455-F473 HydrophobicContact CE1-CE1 4.41Å; F455-F473 HydrophobicContact CE1-CE2 4.38Å; F455-F473 AromaticContact CE1-CG 3.68Å; F455-F473 HydrophobicContact CE1-CG 3.68Å; F455-F473 HydrophobicContact CZ-CD2 4.14Å; F455-F473 HydrophobicContact CZ-CE2 4.29Å; F455-F473 HydrophobicContact CZ-CG 4.36Å; F473-Q475 PolarHBondContact O-N 3.2Å; F473-W476 AromaticContact CD2-CE3 3.98Å; F473-W476 HydrophobicContact CD2-CE3 3.98Å; F473-W476 HydrophobicContact CD2-CZ3 4.45Å; F473-W476 AromaticContact CE2-CE3 3.69Å; F473-W476 HydrophobicContact CE2-CE3 3.69Å; F473-W476 AromaticContact CE2-CZ3 3.7Å; F473-W476 HydrophobicContact CE2-CZ3 3.7Å; F473-W476 HydrophobicContact CZ-CE3 4.46Å; F473-W476 HydrophobicContact CZ-CZ3 4.24Å; F473-W476 WeakPolarHBondContact O-CB 3.44Å; F473-W476 PolarHBondContact O-N 2.97Å; F473-W476 VanDerWaalsContact O-N 3.16Å; F473-L477 HydrophobicContact CD1-CD1 3.97Å; F473-L477 HydrophobicContact CD1-CG 4.46Å; F473-L477 HydrophobicContact CE1-CD1 3.76Å; F473-L477 HydrophobicContact CE1-CG 4.26Å; F473-L477 HydrophobicContact CZ-CD1 4.29Å; F473-L477 HydrophobicContact CZ-CD2 4.32Å; F473-L477 HydrophobicContact CZ-CG 4.37Å; F473-L477 WeakPolarHBondContact O-CG 3.34Å; F473-L477 PolarHBondContact O-N 2.93Å; F473-L501 HydrophobicContact CE1-CD1 4.45Å; F473-L501 HydrophobicContact CE1-CG 4.26Å; F473-L501 HydrophobicContact CZ-CD2 4.23Å; F473-L501 HydrophobicContact CZ-CG 4.35Å; F473-A505 HydrophobicContact CD1-CB 3.97Å; F473-A505 HydrophobicContact CE1-CB 4.17Å; F473-F513 HydrophobicContact CE1-CE2 4.42Å; F473-F513 HydrophobicContact CE1-CZ 4.28Å; F473-F513 HydrophobicContact CZ-CZ 4.25Å
474	L	97.9	Very high	94.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-63.5	-41.5	175.9	-178.3	61.8	0	0	0	112.3	F359 P471 W476 L477 D478 A502 Y506 W569 V572 Y573	F359-L474 HydrophobicContact CE1-CD2 4.29Å; F359-L474 HydrophobicContact CE2-CD2 4.03Å; F359-L474 HydrophobicContact CZ-CD2 3.57Å; P471-L474 HydrophobicContact CB-CB 4.15Å; P471-L474 HydrophobicContact CB-CD2 4.36Å; P471-L474 PolarHBondContact O-N 3.4Å; L474-W476 VanDerWaalsContact C-N 3.26Å; L474-W476 PolarHBondContact O-N 2.89Å; L474-L477 PolarHBondContact O-N 3.29Å; L474-D478 PolarHBondContact O-N 3.13Å; L474-A502 HydrophobicContact CD1-CB 3.98Å; L474-Y506 HydrophobicContact CB-CE2 4.44Å; L474-Y506 HydrophobicContact CD2-CE2 4.47Å; L474-W569 HydrophobicContact CD1-CZ3 4.47Å; L474-V572 HydrophobicContact CD1-CG1 4.37Å; L474-Y573 HydrophobicContact CD2-CE1 4.19Å
475	Q	97.6	Very high	94.8	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-42.4	172.9	-172.2	-170.4	16	0	0	111.3	W383 L387 L390 P471 F473 D478 C479	W383-Q475 HydrophobicContact CH2-CB 3.64Å; W383-Q475 HydrophobicContact CH2-CG 3.87Å; W383-Q475 HydrophobicContact CZ2-CB 4.11Å; W383-Q475 HydrophobicContact CZ2-CG 4.21Å; W383-Q475 HydrophobicContact CZ3-CB 4.48Å; W383-Q475 HydrophobicContact CZ3-CG 4.4Å; L387-Q475 HydrophobicContact CD2-CB 4.49Å; L387-Q475 HydrophobicContact CD2-CG 3.54Å; L387-Q475 WeakPolarHBondContact CD2-O 3.47Å; L390-Q475 HydrophobicContact CD2-CG 4.27Å; P471-Q475 VanDerWaalsContact O-CB 3.24Å; P471-Q475 WeakPolarHBondContact O-CB 3.34Å; P471-Q475 PolarHBondContact O-N 3.46Å; F473-Q475 PolarHBondContact O-N 3.2Å; Q475-D478 PolarHBondContact O-N 3.12Å; Q475-C479 PolarHBondContact O-N 2.95Å; Q475-C479 VanDerWaalsContact O-N 3.16Å; Q475-C479 PolarHBondContact O-SG 3.37Å
476	W	98.5	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.1	-43.9	177.1	175	84.3	0	0	0	112.1	Q421 S424 L428 F440 L443 V444 W448 V472 F473 L474 D478 C479 V480	Q421-W476 HydrophobicContact CG-CB 4.29Å; S424-W476 PolarHBondContact OG-NE1 3.46Å; L428-W476 HydrophobicContact CD1-CZ2 3.82Å; F440-W476 HydrophobicContact CE1-CH2 4.07Å; F440-W476 HydrophobicContact CE1-CZ3 4.28Å; F440-W476 AromaticContact CE2-CH2 3.56Å; F440-W476 HydrophobicContact CE2-CH2 3.56Å; F440-W476 HydrophobicContact CE2-CZ2 4.24Å; F440-W476 HydrophobicContact CE2-CZ3 4.3Å; F440-W476 AromaticContact CZ-CH2 3.26Å; F440-W476 HydrophobicContact CZ-CH2 3.26Å; F440-W476 HydrophobicContact CZ-CZ2 4.33Å; F440-W476 AromaticContact CZ-CZ3 3.59Å; F440-W476 HydrophobicContact CZ-CZ3 3.59Å; L443-W476 HydrophobicContact CD2-CZ2 4.11Å; V444-W476 HydrophobicContact CG2-CH2 3.89Å; V444-W476 HydrophobicContact CG2-CZ3 4.13Å; W448-W476 HydrophobicContact CH2-CB 3.7Å; W448-W476 HydrophobicContact CH2-CD2 4.45Å; W448-W476 AromaticContact CH2-CG 3.99Å; W448-W476 HydrophobicContact CH2-CG 3.99Å; W448-W476 HydrophobicContact CZ2-CB 3.57Å; W448-W476 AromaticContact CZ2-CD1 3.72Å; W448-W476 AromaticContact CZ2-CD2 3.52Å; W448-W476 HydrophobicContact CZ2-CD2 3.52Å; W448-W476 AromaticContact CZ2-CE3 3.99Å; W448-W476 HydrophobicContact CZ2-CE3 3.99Å; W448-W476 AromaticContact CZ2-CG 3.32Å; W448-W476 HydrophobicContact CZ2-CG 3.32Å; W448-W476 AromaticContact NE1-CE2 3.92Å; V472-W476 PolarHBondContact O-N 3.08Å; F473-W476 AromaticContact CD2-CE3 3.98Å; F473-W476 HydrophobicContact CD2-CE3 3.98Å; F473-W476 HydrophobicContact CD2-CZ3 4.45Å; F473-W476 AromaticContact CE2-CE3 3.69Å; F473-W476 HydrophobicContact CE2-CE3 3.69Å; F473-W476 AromaticContact CE2-CZ3 3.7Å; F473-W476 HydrophobicContact CE2-CZ3 3.7Å; F473-W476 HydrophobicContact CZ-CE3 4.46Å; F473-W476 HydrophobicContact CZ-CZ3 4.24Å; F473-W476 WeakPolarHBondContact O-CB 3.44Å; F473-W476 PolarHBondContact O-N 2.97Å; F473-W476 VanDerWaalsContact O-N 3.16Å; L474-W476 VanDerWaalsContact C-N 3.26Å; L474-W476 PolarHBondContact O-N 2.89Å; W476-D478 PolarHBondContact O-N 3.34Å; W476-C479 WeakPolarHBondContact O-CA 3.17Å; W476-C479 VanDerWaalsContact O-CB 3.31Å; W476-C479 WeakPolarHBondContact O-CB 3.48Å; W476-C479 PolarHBondContact O-N 2.8Å; W476-C479 VanDerWaalsContact O-N 3.11Å; W476-V480 HydrophobicContact CD2-CG2 3.99Å; W476-V480 HydrophobicContact CE3-CG2 4.23Å; W476-V480 HydrophobicContact CH2-CG2 4.04Å; W476-V480 HydrophobicContact CZ2-CG2 3.77Å; W476-V480 HydrophobicContact CZ3-CG2 4.26Å; W476-V480 WeakPolarHBondContact O-CG2 3.2Å; W476-V480 PolarHBondContact O-N 3.16Å
477	L	98.1	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-35.8	175.2	-71.2	176	0	0	0	112	F440 F473 L474 V480 H481 L498 L501 A502 W569	F440-L477 HydrophobicContact CZ-CD2 4.34Å; F473-L477 HydrophobicContact CD1-CD1 3.97Å; F473-L477 HydrophobicContact CD1-CG 4.46Å; F473-L477 HydrophobicContact CE1-CD1 3.76Å; F473-L477 HydrophobicContact CE1-CG 4.26Å; F473-L477 HydrophobicContact CZ-CD1 4.29Å; F473-L477 HydrophobicContact CZ-CD2 4.32Å; F473-L477 HydrophobicContact CZ-CG 4.37Å; F473-L477 WeakPolarHBondContact O-CG 3.34Å; F473-L477 PolarHBondContact O-N 2.93Å; L474-L477 PolarHBondContact O-N 3.29Å; L477-V480 PolarHBondContact O-N 3.11Å; L477-V480 VanDerWaalsContact O-N 3.16Å; L477-H481 WeakPolarHBondContact O-CB 3.44Å; L477-H481 PolarHBondContact O-N 3.49Å; L477-L498 HydrophobicContact CD2-CD2 4.24Å; L477-L501 HydrophobicContact CD1-CG 4.28Å; L477-L501 HydrophobicContact CD2-CD2 3.78Å; L477-L501 HydrophobicContact CD2-CG 4.35Å; L477-A502 HydrophobicContact CD1-CB 3.84Å; L477-W569 VanDerWaalsContact C-CZ3 3.47Å; L477-W569 HydrophobicContact CB-CH2 3.89Å; L477-W569 HydrophobicContact CB-CZ3 3.73Å
478	D	95.8	Very high	95	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.053	11%	0.108	C	C	.	.	H	α-helix	trans	-65.2	-39.8	175.6	-159	0.9	0	0	0	111.1	W383 L387 L474 Q475 W476 V480 H481 Y482 W569 Y573	W383-D478 PolarHBondContact NE1-OD2 3.43Å; L387-D478 HydrophobicContact CD1-CB 4.32Å; L387-D478 VanDerWaalsContact CD1-OD2 3.29Å; L387-D478 WeakPolarHBondContact CD1-OD2 3.35Å; L387-D478 HydrophobicContact CD2-CB 3.96Å; L474-D478 PolarHBondContact O-N 3.13Å; Q475-D478 PolarHBondContact O-N 3.12Å; W476-D478 PolarHBondContact O-N 3.34Å; D478-V480 PolarHBondContact O-N 3.1Å; D478-H481 PolarHBondContact O-N 3.43Å; D478-H481 IonicContact OD1-ND1 3.94Å; D478-Y482 PolarHBondContact O-N 3.19Å; D478-W569 HydrophobicContact CB-CE3 3.96Å; D478-W569 HydrophobicContact CB-CZ3 4.31Å; D478-Y573 PolarHBondContact OD2-OH 3.39Å; D478-Y573 VanDerWaalsContact OD2-OH 3.12Å
479	C	95.6	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-40.1	169.6	-67.4	0	0	0	0	112.6	L391 L425 Q475 W476 Y482 L483	L391-C479 HydrophobicContact CD1-CB 4.14Å; L391-C479 HydrophobicContact CD2-CB 3.81Å; L391-C479 HydrophobicContact CG-CB 3.79Å; L425-C479 HydrophobicContact CD1-CB 4.02Å; L425-C479 HydrophobicContact CD2-CB 3.93Å; Q475-C479 PolarHBondContact O-N 2.95Å; Q475-C479 VanDerWaalsContact O-N 3.16Å; Q475-C479 PolarHBondContact O-SG 3.37Å; W476-C479 WeakPolarHBondContact O-CA 3.17Å; W476-C479 VanDerWaalsContact O-CB 3.31Å; W476-C479 WeakPolarHBondContact O-CB 3.48Å; W476-C479 PolarHBondContact O-N 2.8Å; W476-C479 VanDerWaalsContact O-N 3.11Å; C479-Y482 WeakPolarHBondContact O-CB 3.29Å; C479-Y482 PolarHBondContact O-N 3.08Å; C479-L483 WeakPolarHBondContact O-CG 3.44Å; C479-L483 PolarHBondContact O-N 2.87Å; C479-L483 VanDerWaalsContact O-N 3.1Å
480	V	96.3	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-41.4	176.4	178.4	0	0	0	0	111.1	L425 L428 F440 W476 L477 D478 Y482 L483 L484 F493 L498	L425-V480 HydrophobicContact CD2-CG2 4.05Å; L428-V480 HydrophobicContact CD1-CG1 4.45Å; L428-V480 HydrophobicContact CD1-CG2 3.7Å; F440-V480 HydrophobicContact CE2-CG1 3.83Å; F440-V480 HydrophobicContact CE2-CG2 4.34Å; F440-V480 HydrophobicContact CZ-CG1 4.25Å; W476-V480 HydrophobicContact CD2-CG2 3.99Å; W476-V480 HydrophobicContact CE3-CG2 4.23Å; W476-V480 HydrophobicContact CH2-CG2 4.04Å; W476-V480 HydrophobicContact CZ2-CG2 3.77Å; W476-V480 HydrophobicContact CZ3-CG2 4.26Å; W476-V480 WeakPolarHBondContact O-CG2 3.2Å; W476-V480 PolarHBondContact O-N 3.16Å; L477-V480 PolarHBondContact O-N 3.11Å; L477-V480 VanDerWaalsContact O-N 3.16Å; D478-V480 PolarHBondContact O-N 3.1Å; V480-Y482 VanDerWaalsContact C-N 3.29Å; V480-Y482 PolarHBondContact O-N 3.38Å; V480-L483 PolarHBondContact O-N 3.02Å; V480-L483 VanDerWaalsContact O-N 3.12Å; V480-L484 PolarHBondContact O-N 3.42Å; V480-F493 HydrophobicContact CG1-CE2 3.96Å; V480-F493 HydrophobicContact CG1-CZ 3.92Å; V480-L498 HydrophobicContact CG1-CD1 3.96Å; V480-L498 HydrophobicContact CG1-CD2 3.87Å
481	H	94.6	Very high	95	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-39.3	174.6	160	-105.3	0	0	0	111.4	L477 D478 L484 R485 E495 L498 W569	L477-H481 WeakPolarHBondContact O-CB 3.44Å; L477-H481 PolarHBondContact O-N 3.49Å; D478-H481 PolarHBondContact O-N 3.43Å; D478-H481 IonicContact OD1-ND1 3.94Å; H481-L484 WeakPolarHBondContact O-CB 3.5Å; H481-L484 PolarHBondContact O-N 2.89Å; H481-R485 WeakPolarHBondContact NE2-CD 3.35Å; H481-R485 WeakPolarHBondContact O-CG 3.34Å; H481-R485 PolarHBondContact O-N 3.25Å; H481-R485 VanDerWaalsContact O-N 3.13Å; H481-E495 IonicContact CD2-OE1 2.82Å; H481-E495 IonicContact NE2-OE1 3.47Å; H481-L498 HydrophobicContact CB-CD1 3.99Å; H481-W569 HydrophobicContact CB-CD2 3.86Å; H481-W569 HydrophobicContact CB-CE3 4.05Å; H481-W569 HydrophobicContact CB-CG 4.42Å; H481-W569 HydrophobicContact CB-CH2 4.15Å; H481-W569 HydrophobicContact CB-CZ2 3.94Å; H481-W569 HydrophobicContact CB-CZ3 4.2Å; H481-W569 AromaticContact CD2-CD1 3.57Å; H481-W569 AromaticContact CD2-CE2 3.85Å; H481-W569 AromaticContact CD2-NE1 3.43Å; H481-W569 PolarHBondContact CD2-NE1 2.97Å; H481-W569 AromaticContact CE1-CD1 3.39Å; H481-W569 AromaticContact CE1-CG 3.51Å; H481-W569 AromaticContact CG-CD1 3.7Å; H481-W569 AromaticContact CG-CD2 3.64Å; H481-W569 AromaticContact CG-CE2 3.63Å; H481-W569 AromaticContact CG-CG 3.7Å; H481-W569 AromaticContact CG-NE1 3.65Å; H481-W569 AromaticContact ND1-CD1 3.6Å; H481-W569 AromaticContact ND1-CD2 3.7Å; H481-W569 AromaticContact ND1-CG 3.35Å; H481-W569 AromaticContact NE2-CD1 3.38Å; H481-W569 AromaticContact NE2-CG 3.94Å; H481-W569 AromaticContact NE2-NE1 3.72Å
482	Y	93	Very high	94.9	Very high	20 Å²	20	22.4 Å²	22.4	8%	0.078	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-48.3	170.7	172.5	-95.2	0	0	0	112	L391 D478 C479 V480 L484 R485 E486 L560 M565	L391-Y482 HydrophobicContact CD1-CD1 3.68Å; L391-Y482 HydrophobicContact CD1-CE1 4.29Å; L391-Y482 HydrophobicContact CD1-CG 4.3Å; D478-Y482 PolarHBondContact O-N 3.19Å; C479-Y482 WeakPolarHBondContact O-CB 3.29Å; C479-Y482 PolarHBondContact O-N 3.08Å; V480-Y482 VanDerWaalsContact C-N 3.29Å; V480-Y482 PolarHBondContact O-N 3.38Å; Y482-L484 VanDerWaalsContact C-N 3.33Å; Y482-L484 PolarHBondContact O-N 3.01Å; Y482-R485 PolarHBondContact O-N 3.31Å; Y482-R485 VanDerWaalsContact O-N 3.14Å; Y482-E486 HydrophobicContact CE1-CB 4.37Å; Y482-E486 PolarHBondContact O-N 2.93Å; Y482-L560 HydrophobicContact CD1-CD2 4.06Å; Y482-L560 HydrophobicContact CE1-CD2 3.23Å; Y482-M565 HydrophobicContact CD1-SD 3.54Å; Y482-M565 VanDerWaalsContact CD1-SD 3.54Å; Y482-M565 HydrophobicContact CD2-CE 4.35Å; Y482-M565 HydrophobicContact CD2-CG 4.43Å; Y482-M565 HydrophobicContact CD2-SD 3.25Å; Y482-M565 WeakPolarHBondContact CD2-SD 3.44Å; Y482-M565 HydrophobicContact CE1-SD 3.71Å; Y482-M565 HydrophobicContact CE2-CG 4.23Å; Y482-M565 HydrophobicContact CE2-SD 3.43Å; Y482-M565 WeakPolarHBondContact CE2-SD 3.4Å; Y482-M565 HydrophobicContact CG-CE 4.1Å; Y482-M565 HydrophobicContact CG-SD 3.3Å
483	L	93.3	Very high	94.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-39.5	178.5	-66	176.2	0	0	0	112.6	L391 L425 L429 C479 V480 R485 E486 Y487 F491	L391-L483 HydrophobicContact CD2-CD1 4.11Å; L391-L483 HydrophobicContact CD2-CD2 4.17Å; L391-L483 HydrophobicContact CD2-CG 4.08Å; L425-L483 HydrophobicContact CD2-CD1 4.15Å; L429-L483 HydrophobicContact CD2-CD1 3.82Å; L429-L483 HydrophobicContact CD2-CD2 3.77Å; L429-L483 HydrophobicContact CD2-CG 4.46Å; L429-L483 HydrophobicContact CG-CD1 4.27Å; C479-L483 WeakPolarHBondContact O-CG 3.44Å; C479-L483 PolarHBondContact O-N 2.87Å; C479-L483 VanDerWaalsContact O-N 3.1Å; V480-L483 PolarHBondContact O-N 3.02Å; V480-L483 VanDerWaalsContact O-N 3.12Å; L483-R485 VanDerWaalsContact C-N 3.25Å; L483-R485 PolarHBondContact O-N 3.28Å; L483-E486 PolarHBondContact O-N 3.39Å; L483-Y487 HydrophobicContact CD2-CE2 4.4Å; L483-Y487 WeakPolarHBondContact O-CB 3.36Å; L483-Y487 PolarHBondContact O-N 3.4Å; L483-F491 HydrophobicContact CB-CE2 4.03Å; L483-F491 HydrophobicContact CB-CZ 3.81Å; L483-F491 WeakPolarHBondContact O-CE2 3.27Å
484	L	92.2	Very high	94.6	Very high	15 Å²	15	22.2 Å²	22.2	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-56.8	-41.3	174.6	-174.1	102.2	0	0	0	111.2	V480 H481 Y482 Y487 P488 F491 F493 E495 L498	V480-L484 PolarHBondContact O-N 3.42Å; H481-L484 WeakPolarHBondContact O-CB 3.5Å; H481-L484 PolarHBondContact O-N 2.89Å; Y482-L484 VanDerWaalsContact C-N 3.33Å; Y482-L484 PolarHBondContact O-N 3.01Å; L484-Y487 CarbonylContact O-C 3.15Å; L484-Y487 VanDerWaalsContact O-C 3.3Å; L484-P488 VanDerWaalsContact O-CA 3.32Å; L484-P488 WeakPolarHBondContact O-CA 3.26Å; L484-F491 HydrophobicContact CD1-CB 3.68Å; L484-F491 HydrophobicContact CD1-CD2 4.47Å; L484-F491 HydrophobicContact CD1-CG 4.15Å; L484-F493 HydrophobicContact CD1-CD2 3.8Å; L484-F493 HydrophobicContact CD1-CE2 3.73Å; L484-F493 WeakPolarHBondContact CD1-O 3.49Å; L484-E495 HydrophobicContact CD2-CB 3.85Å; L484-L498 HydrophobicContact CB-CD1 4.45Å
485	R	90	Very high	94.5	Very high	122 Å²	122	23.9 Å²	23.9	46%	0.46	12%	0.117	S	C	.	.	H	α-helix	trans	-77.4	-36.2	-179.2	-72.6	-175	59.8	-175.9	-4	113.7	H481 Y482 L483 Y487 S567	H481-R485 WeakPolarHBondContact NE2-CD 3.35Å; H481-R485 WeakPolarHBondContact O-CG 3.34Å; H481-R485 PolarHBondContact O-N 3.25Å; H481-R485 VanDerWaalsContact O-N 3.13Å; Y482-R485 PolarHBondContact O-N 3.31Å; Y482-R485 VanDerWaalsContact O-N 3.14Å; L483-R485 VanDerWaalsContact C-N 3.25Å; L483-R485 PolarHBondContact O-N 3.28Å; R485-Y487 VanDerWaalsContact C-N 3.32Å; R485-S567 VanDerWaalsContact NH1-CB 3.3Å; R485-S567 PolarHBondContact NH1-OG 2.96Å; R485-S567 PolarHBondContact NH2-OG 3.1Å
486	E	89.6	Confident	94.3	Very high	88 Å²	88	24 Å²	24	41%	0.411	12%	0.118	S	C	.	.	H	α-helix	trans	-68.2	-35.7	175	-173.7	65.5	-171.2	0	0	111.1	Y482 L483 P488	Y482-E486 HydrophobicContact CE1-CB 4.37Å; Y482-E486 PolarHBondContact O-N 2.93Å; L483-E486 PolarHBondContact O-N 3.39Å; E486-P488 VanDerWaalsContact C-CD 3.47Å; E486-P488 WeakPolarHBondContact O-CD 3.29Å
487	Y	91.5	Very high	94.2	Very high	46 Å²	46	24 Å²	24	18%	0.18	12%	0.118	C	C	.	.	S	Bend	trans	-122.8	69.3	-178.1	-58.3	-76.9	0	0	0	111.7	L483 L484 R485 C489 S490 L556 L557 S558	L483-Y487 HydrophobicContact CD2-CE2 4.4Å; L483-Y487 WeakPolarHBondContact O-CB 3.36Å; L483-Y487 PolarHBondContact O-N 3.4Å; L484-Y487 CarbonylContact O-C 3.15Å; L484-Y487 VanDerWaalsContact O-C 3.3Å; R485-Y487 VanDerWaalsContact C-N 3.32Å; Y487-C489 PolarHBondContact O-N 3.38Å; Y487-S490 PolarHBondContact O-N 3.01Å; Y487-L556 HydrophobicContact CD1-CD2 3.71Å; Y487-L556 HydrophobicContact CD2-CB 4.43Å; Y487-L556 HydrophobicContact CD2-CD1 3.82Å; Y487-L556 HydrophobicContact CD2-CD2 4.39Å; Y487-L556 HydrophobicContact CD2-CG 4.41Å; Y487-L556 HydrophobicContact CE1-CB 4.48Å; Y487-L556 HydrophobicContact CE1-CD2 3.8Å; Y487-L556 HydrophobicContact CE2-CB 3.97Å; Y487-L556 HydrophobicContact CE2-CD1 4.21Å; Y487-L556 HydrophobicContact CE2-CD2 4.46Å; Y487-L556 HydrophobicContact CE2-CG 4.41Å; Y487-L556 HydrophobicContact CG-CD1 3.97Å; Y487-L556 HydrophobicContact CG-CD2 3.99Å; Y487-L556 HydrophobicContact CG-CG 4.45Å; Y487-L557 VanDerWaalsContact OH-C 3.31Å; Y487-L557 PolarHBondContact OH-O 3.16Å; Y487-S558 WeakPolarHBondContact OH-CA 3.25Å; Y487-S558 PolarHBondContact OH-N 3.49Å
488	P	90.5	Very high	94.2	Very high	63 Å²	63	24 Å²	24	41%	0.409	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.9	-170.7	25.5	-35.7	0	0	0	114.6	L484 E486 N546	L484-P488 VanDerWaalsContact O-CA 3.32Å; L484-P488 WeakPolarHBondContact O-CA 3.26Å; E486-P488 VanDerWaalsContact C-CD 3.47Å; E486-P488 WeakPolarHBondContact O-CD 3.29Å; P488-N546 PolarHBondContact O-ND2 3.12Å
489	C	93.7	Very high	94.2	Very high	51 Å²	51	23.6 Å²	23.6	35%	0.345	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-4.7	178.8	-53	0	0	0	0	113.6	Y487 L548 F549 A550	Y487-C489 PolarHBondContact O-N 3.38Å; C489-L548 WeakPolarHBondContact CA-O 3.42Å; C489-L548 WeakPolarHBondContact CB-O 3.48Å; C489-F549 CarbonylContact O-C 3.6Å; C489-F549 WeakPolarHBondContact O-CA 3.43Å; C489-A550 PolarHBondContact O-N 2.97Å
490	S	95.3	Very high	94.2	Very high	12 Å²	12	23.6 Å²	23.6	8%	0.084	12%	0.115	C	C	.	.	S	Bend	trans	-95.9	-6.5	-170.4	-56.3	0	0	0	0	114.6	R435 Y487	R435-S490 WeakPolarHBondContact CB-O 3.37Å; R435-S490 WeakPolarHBondContact CD-O 3.24Å; Y487-S490 PolarHBondContact O-N 3.01Å
491	F	96.3	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.			trans	-121.4	130.5	-178.1	-65.1	-89.5	0	0	0	111.1	L428 R435 L483 L484 F493 N546 L556	L428-F491 HydrophobicContact CD2-CE1 4.29Å; R435-F491 HydrophobicContact CB-CD1 3.62Å; R435-F491 HydrophobicContact CB-CE1 4.02Å; R435-F491 HydrophobicContact CB-CG 4.26Å; R435-F491 HydrophobicContact CG-CD1 3.83Å; R435-F491 HydrophobicContact CG-CE1 3.67Å; R435-F491 HydrophobicContact CG-CZ 4.32Å; L483-F491 HydrophobicContact CB-CE2 4.03Å; L483-F491 HydrophobicContact CB-CZ 3.81Å; L483-F491 WeakPolarHBondContact O-CE2 3.27Å; L484-F491 HydrophobicContact CD1-CB 3.68Å; L484-F491 HydrophobicContact CD1-CD2 4.47Å; L484-F491 HydrophobicContact CD1-CG 4.15Å; F491-F493 HydrophobicContact CB-CE1 4.43Å; F491-F493 HydrophobicContact CB-CE2 4.25Å; F491-F493 HydrophobicContact CB-CZ 4.22Å; F491-F493 AromaticContact CD1-CE1 3.72Å; F491-F493 HydrophobicContact CD1-CE1 3.72Å; F491-F493 AromaticContact CD1-CE2 3.97Å; F491-F493 HydrophobicContact CD1-CE2 3.97Å; F491-F493 AromaticContact CD1-CZ 3.29Å; F491-F493 HydrophobicContact CD1-CZ 3.29Å; F491-F493 AromaticContact CE1-CZ 3.95Å; F491-F493 HydrophobicContact CE1-CZ 3.95Å; F491-F493 HydrophobicContact CG-CE2 4.36Å; F491-F493 HydrophobicContact CG-CZ 4.07Å; F491-N546 WeakPolarHBondContact O-CB 3.46Å; F491-N546 PolarHBondContact O-ND2 3.47Å; F491-L556 HydrophobicContact CE2-CD1 4.13Å; F491-L556 HydrophobicContact CZ-CD1 4.17Å
492	E	96.4	Very high	94.3	Very high	28 Å²	28	23.4 Å²	23.4	13%	0.131	12%	0.115	C	C	.	.	S	Bend	trans	-74.3	-33.6	178.7	-173	-178.9	-157.4	0	0	112.2	R435 T436 I437 R545 N546 F549	R435-E492 PolarHBondContact O-N 2.92Å; T436-E492 WeakPolarHBondContact CA-OE2 3.42Å; T436-E492 WeakPolarHBondContact CB-OE2 3.47Å; I437-E492 HydrophobicContact CD1-CG 4.24Å; I437-E492 HydrophobicContact CG1-CB 4.44Å; I437-E492 HydrophobicContact CG1-CG 4.15Å; I437-E492 PolarHBondContact N-OE2 3.27Å; E492-R545 CarbonylContact O-C 3.32Å; E492-R545 WeakPolarHBondContact O-CA 3.33Å; E492-N546 WeakPolarHBondContact O-CB 3.43Å; E492-N546 PolarHBondContact O-N 3.03Å; E492-F549 VanDerWaalsContact CA-CG 3.44Å; E492-F549 HydrophobicContact CB-CD1 3.6Å; E492-F549 HydrophobicContact CB-CD2 4.17Å; E492-F549 HydrophobicContact CB-CE1 3.72Å; E492-F549 HydrophobicContact CB-CE2 4.27Å; E492-F549 HydrophobicContact CB-CG 3.84Å; E492-F549 HydrophobicContact CB-CZ 4.06Å; E492-F549 HydrophobicContact CG-CD1 3.74Å; E492-F549 HydrophobicContact CG-CE1 4.01Å; E492-F549 HydrophobicContact CG-CG 4.32Å; E492-F549 VanDerWaalsContact N-CD2 3.32Å
493	F	96.8	Very high	94.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-78.2	146.4	176.7	53.7	-97.9	0	0	0	111	I437 F440 V480 L484 F491 F497 L498 F544	I437-F493 HydrophobicContact CG1-CB 3.89Å; F440-F493 HydrophobicContact CB-CD1 3.99Å; F440-F493 HydrophobicContact CB-CE1 3.79Å; F440-F493 HydrophobicContact CD2-CD1 4.17Å; F440-F493 AromaticContact CD2-CE1 3.29Å; F440-F493 HydrophobicContact CD2-CE1 3.29Å; F440-F493 AromaticContact CD2-CZ 3.53Å; F440-F493 HydrophobicContact CD2-CZ 3.53Å; F440-F493 AromaticContact CE2-CE1 3.96Å; F440-F493 HydrophobicContact CE2-CE1 3.96Å; F440-F493 HydrophobicContact CE2-CE2 4.48Å; F440-F493 AromaticContact CE2-CZ 3.69Å; F440-F493 HydrophobicContact CE2-CZ 3.69Å; F440-F493 HydrophobicContact CG-CD1 4.08Å; F440-F493 AromaticContact CG-CE1 3.65Å; F440-F493 HydrophobicContact CG-CE1 3.65Å; F440-F493 HydrophobicContact CG-CZ 4.22Å; V480-F493 HydrophobicContact CG1-CE2 3.96Å; V480-F493 HydrophobicContact CG1-CZ 3.92Å; L484-F493 HydrophobicContact CD1-CD2 3.8Å; L484-F493 HydrophobicContact CD1-CE2 3.73Å; L484-F493 WeakPolarHBondContact CD1-O 3.49Å; F491-F493 HydrophobicContact CB-CE1 4.43Å; F491-F493 HydrophobicContact CB-CE2 4.25Å; F491-F493 HydrophobicContact CB-CZ 4.22Å; F491-F493 AromaticContact CD1-CE1 3.72Å; F491-F493 HydrophobicContact CD1-CE1 3.72Å; F491-F493 AromaticContact CD1-CE2 3.97Å; F491-F493 HydrophobicContact CD1-CE2 3.97Å; F491-F493 AromaticContact CD1-CZ 3.29Å; F491-F493 HydrophobicContact CD1-CZ 3.29Å; F491-F493 AromaticContact CE1-CZ 3.95Å; F491-F493 HydrophobicContact CE1-CZ 3.95Å; F491-F493 HydrophobicContact CG-CE2 4.36Å; F491-F493 HydrophobicContact CG-CZ 4.07Å; F493-F497 HydrophobicContact CB-CB 3.95Å; F493-F497 HydrophobicContact CB-CD1 3.6Å; F493-F497 HydrophobicContact CB-CD2 4.25Å; F493-F497 HydrophobicContact CB-CE1 4.1Å; F493-F497 HydrophobicContact CB-CG 3.69Å; F493-F497 HydrophobicContact CD2-CD1 4.02Å; F493-F497 AromaticContact CG-CD1 3.86Å; F493-F497 HydrophobicContact CG-CD1 3.86Å; F493-F497 HydrophobicContact CG-CE1 4.16Å; F493-F497 HydrophobicContact CG-CG 4.45Å; F493-L498 HydrophobicContact CD2-CD1 4.43Å; F493-L498 HydrophobicContact CD2-CD2 3.98Å; F493-L498 HydrophobicContact CD2-CG 4Å; F493-L498 HydrophobicContact CE2-CD1 4.04Å; F493-L498 HydrophobicContact CE2-CD2 3.71Å; F493-L498 HydrophobicContact CE2-CG 3.96Å; F493-L498 HydrophobicContact CZ-CD2 4.49Å; F493-F544 CarbonylContact C-O 3.57Å; F493-F544 VanDerWaalsContact CA-O 3.25Å; F493-F544 WeakPolarHBondContact CA-O 3.46Å
494	S	94.6	Very high	94.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	12%	0.115	C	C	.	.			trans	-85.5	173.4	177.2	68.4	0	0	0	0	112.6	V496 F497 Q543 F544	S494-V496 PolarHBondContact O-N 3.19Å; S494-V496 WeakPolarHBondContact OG-CB 3.16Å; S494-V496 PolarHBondContact OG-N 2.93Å; S494-F497 WeakPolarHBondContact O-CB 3.42Å; S494-F497 PolarHBondContact O-N 3.16Å; S494-F497 PolarHBondContact OG-N 2.95Å; S494-Q543 PolarHBondContact OG-O 3.24Å; S494-F544 PolarHBondContact N-O 3.29Å; S494-F544 WeakPolarHBondContact OG-CA 3.24Å; S494-F544 PolarHBondContact OG-O 2.89Å
495	E	94.4	Very high	94.8	Very high	36 Å²	36	22.6 Å²	22.6	17%	0.168	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-36.5	169.5	-175.6	179.2	163	0	0	111.3	H481 L484 F497 L498 V499 W569 T571	H481-E495 IonicContact CD2-OE1 2.82Å; H481-E495 IonicContact NE2-OE1 3.47Å; L484-E495 HydrophobicContact CD2-CB 3.85Å; E495-F497 PolarHBondContact O-N 3.34Å; E495-L498 PolarHBondContact O-N 3.29Å; E495-V499 HydrophobicContact CG-CG2 4.06Å; E495-V499 WeakPolarHBondContact O-CG2 3.33Å; E495-V499 PolarHBondContact O-N 3.48Å; E495-W569 PolarHBondContact OE1-NE1 2.88Å; E495-T571 VanDerWaalsContact OE1-CB 3.26Å; E495-T571 WeakPolarHBondContact OE1-CB 3.33Å; E495-T571 PolarHBondContact OE1-OG1 3.32Å
496	V	94.2	Very high	95.1	Very high	8 Å²	8	17 Å²	17	5%	0.048	9%	0.09	C	C	.	.	H	α-helix	trans	-56.1	-40.9	178.1	-178.8	0	0	0	0	111.1	S494 V499 K500 F544 V817 D819	S494-V496 PolarHBondContact O-N 3.19Å; S494-V496 WeakPolarHBondContact OG-CB 3.16Å; S494-V496 PolarHBondContact OG-N 2.93Å; V496-V499 PolarHBondContact O-N 3.22Å; V496-K500 HydrophobicContact CG1-CG 4.5Å; V496-K500 WeakPolarHBondContact O-CB 3.47Å; V496-K500 WeakPolarHBondContact O-CG 3.45Å; V496-K500 PolarHBondContact O-N 3.04Å; V496-F544 HydrophobicContact CG1-CD1 4.19Å; V496-F544 HydrophobicContact CG1-CE1 4.13Å; V496-V817 HydrophobicContact CG1-CB 4.22Å; V496-V817 HydrophobicContact CG1-CG1 4.43Å; V496-V817 HydrophobicContact CG2-CG1 4.22Å; V496-D819 HydrophobicContact CG2-CB 3.92Å
497	F	96.8	Very high	95.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.2	-48	174.9	174.5	-87	0	0	0	111.8	I437 F440 F493 S494 E495 V499 K500 L501 W534 L537 F544	I437-F497 HydrophobicContact CG2-CE2 4.13Å; F440-F497 AromaticContact CD1-CE1 3.59Å; F440-F497 HydrophobicContact CD1-CE1 3.59Å; F440-F497 AromaticContact CD1-CZ 3.94Å; F440-F497 HydrophobicContact CD1-CZ 3.94Å; F440-F497 AromaticContact CE1-CE1 3.77Å; F440-F497 HydrophobicContact CE1-CE1 3.77Å; F440-F497 HydrophobicContact CE1-CZ 4.44Å; F440-F497 HydrophobicContact CG-CE1 4.39Å; F493-F497 HydrophobicContact CB-CB 3.95Å; F493-F497 HydrophobicContact CB-CD1 3.6Å; F493-F497 HydrophobicContact CB-CD2 4.25Å; F493-F497 HydrophobicContact CB-CE1 4.1Å; F493-F497 HydrophobicContact CB-CG 3.69Å; F493-F497 HydrophobicContact CD2-CD1 4.02Å; F493-F497 AromaticContact CG-CD1 3.86Å; F493-F497 HydrophobicContact CG-CD1 3.86Å; F493-F497 HydrophobicContact CG-CE1 4.16Å; F493-F497 HydrophobicContact CG-CG 4.45Å; S494-F497 WeakPolarHBondContact O-CB 3.42Å; S494-F497 PolarHBondContact O-N 3.16Å; S494-F497 PolarHBondContact OG-N 2.95Å; E495-F497 PolarHBondContact O-N 3.34Å; F497-V499 PolarHBondContact O-N 2.68Å; F497-K500 PolarHBondContact O-N 2.75Å; F497-L501 HydrophobicContact CE1-CD2 4.38Å; F497-L501 WeakPolarHBondContact O-CB 3.34Å; F497-L501 PolarHBondContact O-N 3.45Å; F497-W534 HydrophobicContact CZ-CZ3 4.26Å; F497-L537 HydrophobicContact CD2-CB 4.09Å; F497-L537 HydrophobicContact CD2-CD1 4.48Å; F497-L537 HydrophobicContact CD2-CD2 4.26Å; F497-L537 HydrophobicContact CE2-CB 3.7Å; F497-L537 HydrophobicContact CE2-CD1 4.22Å; F497-L537 HydrophobicContact CE2-CG 4.41Å; F497-L537 HydrophobicContact CZ-CD1 4.47Å; F497-F544 HydrophobicContact CB-CB 4.03Å; F497-F544 HydrophobicContact CB-CD1 4.08Å; F497-F544 HydrophobicContact CB-CG 4.31Å; F497-F544 HydrophobicContact CD2-CB 3.96Å; F497-F544 HydrophobicContact CD2-CG 4.16Å; F497-F544 HydrophobicContact CG-CB 4.49Å
498	L	97.1	Very high	95.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-39.8	179.4	-64.5	180	0	0	0	112.2	F440 L477 V480 H481 L484 F493 E495 L501 A502 W569	F440-L498 HydrophobicContact CE1-CD2 4.44Å; F440-L498 HydrophobicContact CZ-CD2 3.97Å; L477-L498 HydrophobicContact CD2-CD2 4.24Å; V480-L498 HydrophobicContact CG1-CD1 3.96Å; V480-L498 HydrophobicContact CG1-CD2 3.87Å; H481-L498 HydrophobicContact CB-CD1 3.99Å; L484-L498 HydrophobicContact CB-CD1 4.45Å; F493-L498 HydrophobicContact CD2-CD1 4.43Å; F493-L498 HydrophobicContact CD2-CD2 3.98Å; F493-L498 HydrophobicContact CD2-CG 4Å; F493-L498 HydrophobicContact CE2-CD1 4.04Å; F493-L498 HydrophobicContact CE2-CD2 3.71Å; F493-L498 HydrophobicContact CE2-CG 3.96Å; F493-L498 HydrophobicContact CZ-CD2 4.49Å; E495-L498 PolarHBondContact O-N 3.29Å; L498-L501 PolarHBondContact O-N 3.5Å; L498-A502 WeakPolarHBondContact O-CB 3.16Å; L498-A502 PolarHBondContact O-N 3.41Å; L498-W569 HydrophobicContact CB-CH2 3.9Å; L498-W569 HydrophobicContact CB-CZ2 3.65Å
499	V	95.3	Very high	95.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.1	-47.6	178	176.2	0	0	0	0	110.5	E495 V496 F497 L501 A502 Q503 W569 T571 V572 V817	E495-V499 HydrophobicContact CG-CG2 4.06Å; E495-V499 WeakPolarHBondContact O-CG2 3.33Å; E495-V499 PolarHBondContact O-N 3.48Å; V496-V499 PolarHBondContact O-N 3.22Å; F497-V499 PolarHBondContact O-N 2.68Å; V499-L501 VanDerWaalsContact C-N 3.32Å; V499-L501 PolarHBondContact O-N 2.97Å; V499-A502 PolarHBondContact O-N 3.44Å; V499-Q503 WeakPolarHBondContact O-CG 3.21Å; V499-Q503 PolarHBondContact O-N 2.94Å; V499-W569 HydrophobicContact CG2-CZ2 3.99Å; V499-T571 HydrophobicContact CG1-CG2 4.35Å; V499-T571 HydrophobicContact CG2-CG2 3.79Å; V499-V572 HydrophobicContact CB-CG2 4.34Å; V499-V572 HydrophobicContact CG1-CG2 4.15Å; V499-V572 HydrophobicContact CG2-CG2 3.95Å; V499-V817 HydrophobicContact CB-CG1 4.36Å; V499-V817 HydrophobicContact CB-CG2 4.5Å; V499-V817 HydrophobicContact CG1-CG1 4.2Å; V499-V817 HydrophobicContact CG1-CG2 3.68Å; V499-V817 HydrophobicContact CG2-CG1 4.47Å
500	K	95.6	Very high	95.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.5	-40.1	176.4	-73.7	-64.1	-161.8	172.4	0	111.6	V496 F497 Q503 H504 Y536 L537 F544 D810 D812	V496-K500 HydrophobicContact CG1-CG 4.5Å; V496-K500 WeakPolarHBondContact O-CB 3.47Å; V496-K500 WeakPolarHBondContact O-CG 3.45Å; V496-K500 PolarHBondContact O-N 3.04Å; F497-K500 PolarHBondContact O-N 2.75Å; K500-Q503 PolarHBondContact O-N 3.46Å; K500-H504 WeakPolarHBondContact O-CB 3.34Å; K500-H504 PolarHBondContact O-CD2 3.13Å; K500-H504 PolarHBondContact O-N 3.38Å; K500-Y536 HydrophobicContact CB-CE1 4.32Å; K500-Y536 HydrophobicContact CD-CE1 4.34Å; K500-Y536 VanDerWaalsContact CE-OH 3.24Å; K500-Y536 WeakPolarHBondContact CE-OH 3.43Å; K500-Y536 HydrophobicContact CG-CE1 4.35Å; K500-Y536 PolarHBondContact NZ-OH 3.27Å; K500-L537 HydrophobicContact CB-CD2 3.85Å; K500-F544 HydrophobicContact CB-CE1 4.39Å; K500-F544 HydrophobicContact CG-CE1 3.95Å; K500-F544 HydrophobicContact CG-CZ 4.48Å; K500-D810 WeakPolarHBondContact CE-OD2 3.47Å; K500-D810 IonicContact NZ-OD2 2.82Å; K500-D810 PolarHBondContact NZ-OD2 3.27Å; K500-D812 IonicContact NZ-OD1 2.71Å; K500-D812 PolarHBondContact NZ-OD1 3.38Å; K500-D812 VanDerWaalsContact NZ-OD1 3.1Å; K500-D812 IonicContact NZ-OD2 2.8Å; K500-D812 PolarHBondContact NZ-OD2 3.03Å
501	L	97.6	Very high	95.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.3	-43.5	175	-177.8	58.4	0	0	0	112	F440 F473 L477 F497 L498 V499 H504 A505 F513 W534 L537	F440-L501 HydrophobicContact CE1-CD2 3.69Å; F440-L501 HydrophobicContact CZ-CD2 4.46Å; F473-L501 HydrophobicContact CE1-CD1 4.45Å; F473-L501 HydrophobicContact CE1-CG 4.26Å; F473-L501 HydrophobicContact CZ-CD2 4.23Å; F473-L501 HydrophobicContact CZ-CG 4.35Å; L477-L501 HydrophobicContact CD1-CG 4.28Å; L477-L501 HydrophobicContact CD2-CD2 3.78Å; L477-L501 HydrophobicContact CD2-CG 4.35Å; F497-L501 HydrophobicContact CE1-CD2 4.38Å; F497-L501 WeakPolarHBondContact O-CB 3.34Å; F497-L501 PolarHBondContact O-N 3.45Å; L498-L501 PolarHBondContact O-N 3.5Å; V499-L501 VanDerWaalsContact C-N 3.32Å; V499-L501 PolarHBondContact O-N 2.97Å; L501-H504 PolarHBondContact O-N 3.33Å; L501-A505 WeakPolarHBondContact O-CB 3.41Å; L501-A505 PolarHBondContact O-N 3.44Å; L501-F513 HydrophobicContact CD1-CE2 3.79Å; L501-F513 HydrophobicContact CD1-CZ 3.91Å; L501-W534 HydrophobicContact CD1-CH2 4.21Å; L501-W534 HydrophobicContact CD1-CZ3 4.38Å; L501-W534 HydrophobicContact CD2-CH2 4.45Å; L501-L537 HydrophobicContact CB-CD1 3.85Å; L501-L537 HydrophobicContact CD1-CD1 3.91Å; L501-L537 HydrophobicContact CG-CD1 4.4Å
502	A	96.9	Very high	95.6	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.008	3%	0.027	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175.1	0	0	0	0	0	111.8	L474 L477 L498 V499 A505 Y506 W569 V572	L474-A502 HydrophobicContact CD1-CB 3.98Å; L477-A502 HydrophobicContact CD1-CB 3.84Å; L498-A502 WeakPolarHBondContact O-CB 3.16Å; L498-A502 PolarHBondContact O-N 3.41Å; V499-A502 PolarHBondContact O-N 3.44Å; A502-A505 WeakPolarHBondContact O-CB 3.27Å; A502-Y506 WeakPolarHBondContact O-CD2 3.04Å; A502-W569 HydrophobicContact CB-CH2 4.32Å; A502-V572 HydrophobicContact CB-CG2 4.4Å
503	Q	95.4	Very high	95.6	Very high	11 Å²	11	4.3 Å²	4.3	5%	0.051	2%	0.022	C	C	.	.	H	α-helix	trans	-64.1	-47.3	176.8	-71.8	174.4	-9.4	0	0	112	V499 K500 A505 Y506 S507 L814	V499-Q503 WeakPolarHBondContact O-CG 3.21Å; V499-Q503 PolarHBondContact O-N 2.94Å; K500-Q503 PolarHBondContact O-N 3.46Å; Q503-A505 VanDerWaalsContact C-N 3.28Å; Q503-A505 PolarHBondContact O-N 2.87Å; Q503-Y506 CarbonylContact O-C 3.3Å; Q503-Y506 PolarHBondContact O-N 3.33Å; Q503-S507 PolarHBondContact O-N 3.17Å; Q503-L814 HydrophobicContact CB-CD1 3.81Å
504	H	96.5	Very high	95.5	Very high	6 Å²	6	4.4 Å²	4.4	3%	0.028	2%	0.023	C	C	.	.	H	α-helix	trans	-75.1	-16.4	-178	-71.2	-48	0	0	0	114.2	K500 L501 Y506 S507 F510 V533 Y536 D812	K500-H504 WeakPolarHBondContact O-CB 3.34Å; K500-H504 PolarHBondContact O-CD2 3.13Å; K500-H504 PolarHBondContact O-N 3.38Å; L501-H504 PolarHBondContact O-N 3.33Å; H504-Y506 PolarHBondContact O-N 3.17Å; H504-S507 PolarHBondContact ND1-OG 3.48Å; H504-S507 VanDerWaalsContact ND1-OG 3.08Å; H504-F510 HydrophobicContact CB-CD2 3.94Å; H504-F510 HydrophobicContact CB-CE2 4.17Å; H504-F510 AromaticContact CD2-CE2 3.75Å; H504-F510 AromaticContact CE1-CE2 3.72Å; H504-F510 AromaticContact CG-CD2 3.82Å; H504-F510 AromaticContact CG-CE2 3.56Å; H504-F510 AromaticContact ND1-CD2 3.9Å; H504-F510 AromaticContact ND1-CE2 3.54Å; H504-F510 AromaticContact NE2-CE2 3.83Å; H504-V533 HydrophobicContact CB-CG2 3.85Å; H504-Y536 AromaticContact CD2-CD1 3.95Å; H504-Y536 AromaticContact CD2-CE1 3.8Å; H504-Y536 AromaticContact NE2-CD1 3.86Å; H504-Y536 AromaticContact NE2-CE1 3.43Å; H504-Y536 WeakPolarHBondContact NE2-CE1 3.38Å; H504-D812 IonicContact CE1-OD2 3.58Å; H504-D812 PolarHBondContact CE1-OD2 2.85Å; H504-D812 IonicContact NE2-OD2 3.23Å; H504-D812 PolarHBondContact NE2-OD2 3.03Å
505	A	97	Very high	95.5	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.008	2%	0.024	C	C	.	.	H	α-helix	trans	-59.4	-27.8	163.6	0	0	0	0	0	111.7	L459 M461 F473 L501 A502 Q503 F513	L459-A505 WeakPolarHBondContact CD1-O 3.46Å; M461-A505 WeakPolarHBondContact CE-O 3.3Å; F473-A505 HydrophobicContact CD1-CB 3.97Å; F473-A505 HydrophobicContact CE1-CB 4.17Å; L501-A505 WeakPolarHBondContact O-CB 3.41Å; L501-A505 PolarHBondContact O-N 3.44Å; A502-A505 WeakPolarHBondContact O-CB 3.27Å; Q503-A505 VanDerWaalsContact C-N 3.28Å; Q503-A505 PolarHBondContact O-N 2.87Å; A505-F513 HydrophobicContact CB-CD2 4.4Å
506	Y	96	Very high	95.6	Very high	5 Å²	5	4.3 Å²	4.3	2%	0.02	2%	0.024	C	C	.	.	H	α-helix	trans	-117	-7.6	-178.7	-61.2	-82.1	0	0	0	114.5	L92 C93 K110 D111 L459 L474 A502 Q503 H504 G508	L92-Y506 CarbonylContact C-O 3.59Å; C93-Y506 PolarHBondContact N-O 3.22Å; K110-Y506 HydrophobicContact CB-CD1 3.56Å; K110-Y506 HydrophobicContact CB-CE1 3.62Å; K110-Y506 HydrophobicContact CB-CG 4.26Å; K110-Y506 HydrophobicContact CD-CD1 3.84Å; K110-Y506 HydrophobicContact CD-CE1 4.27Å; K110-Y506 HydrophobicContact CG-CD1 4.38Å; D111-Y506 HydrophobicContact CB-CD2 3.98Å; D111-Y506 HydrophobicContact CB-CE2 4.32Å; L459-Y506 HydrophobicContact CB-CD1 4.21Å; L459-Y506 HydrophobicContact CB-CE1 3.99Å; L459-Y506 HydrophobicContact CD2-CD1 4.09Å; L459-Y506 HydrophobicContact CD2-CE1 3.37Å; L459-Y506 HydrophobicContact CD2-CE2 4.24Å; L459-Y506 VanDerWaalsContact CD2-CZ 3.45Å; L459-Y506 WeakPolarHBondContact CD2-OH 3.3Å; L459-Y506 HydrophobicContact CG-CE1 4.28Å; L474-Y506 HydrophobicContact CB-CE2 4.44Å; L474-Y506 HydrophobicContact CD2-CE2 4.47Å; A502-Y506 WeakPolarHBondContact O-CD2 3.04Å; Q503-Y506 CarbonylContact O-C 3.3Å; Q503-Y506 PolarHBondContact O-N 3.33Å; H504-Y506 PolarHBondContact O-N 3.17Å; Y506-G508 PolarHBondContact O-N 3.36Å
507	S	95.7	Very high	95.7	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.007	3%	0.028	C	C	.	.	H	α-helix	trans	-71.8	-29.7	-171	78.1	0	0	0	0	113.6	F74 Q503 H504 L509	F74-S507 VanDerWaalsContact CE2-O 3.31Å; F74-S507 WeakPolarHBondContact CE2-O 3.15Å; Q503-S507 PolarHBondContact O-N 3.17Å; H504-S507 PolarHBondContact ND1-OG 3.48Å; H504-S507 VanDerWaalsContact ND1-OG 3.08Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 VanDerWaalsContact OG-CB 3.3Å; S507-L509 WeakPolarHBondContact OG-CB 2.84Å; S507-L509 PolarHBondContact OG-N 3.49Å; S507-L509 VanDerWaalsContact OG-N 3.17Å
508	G	94.9	Very high	95.5	Very high	3 Å²	3	5.7 Å²	5.7	3%	0.031	3%	0.034	C	C	.	.	S	Bend	trans	71	21.9	-172.2	0	0	0	0	0	113.6	A147 Y506	A147-G508 WeakPolarHBondContact CA-O 3.46Å; A147-G508 WeakPolarHBondContact CB-O 3.34Å; A147-G508 PolarHBondContact N-O 3.46Å; Y506-G508 PolarHBondContact O-N 3.36Å
509	L	95	Very high	95.4	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.041	C	C	.	.	S	Bend	trans	-86.3	-29	176	-173	62.9	0	0	0	112.4	L52 F74 F146 A147 F150 S507 D812	L52-L509 HydrophobicContact CD1-CD1 3.93Å; F74-L509 HydrophobicContact CE2-CB 4.19Å; F74-L509 HydrophobicContact CE2-CD1 4.45Å; F74-L509 HydrophobicContact CZ-CB 4.35Å; F74-L509 HydrophobicContact CZ-CD1 4.49Å; F146-L509 HydrophobicContact CD1-CD1 3.85Å; F146-L509 HydrophobicContact CE1-CD1 3.68Å; A147-L509 WeakPolarHBondContact CB-O 3.47Å; F150-L509 HydrophobicContact CB-CD1 4.31Å; F150-L509 HydrophobicContact CD1-CD1 3.75Å; F150-L509 HydrophobicContact CD1-CG 4.36Å; F150-L509 HydrophobicContact CD2-CD1 4.08Å; F150-L509 HydrophobicContact CE1-CD1 4.06Å; F150-L509 HydrophobicContact CE1-CG 4.41Å; F150-L509 HydrophobicContact CE2-CD1 4.37Å; F150-L509 HydrophobicContact CG-CD1 3.78Å; F150-L509 HydrophobicContact CZ-CD1 4.38Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 VanDerWaalsContact OG-CB 3.3Å; S507-L509 WeakPolarHBondContact OG-CB 2.84Å; S507-L509 PolarHBondContact OG-N 3.49Å; S507-L509 VanDerWaalsContact OG-N 3.17Å; L509-D812 HydrophobicContact CD2-CB 4.12Å
510	F	94.8	Very high	95.4	Very high	8 Å²	8	8.8 Å²	8.8	4%	0.035	5%	0.052	C	C	.	.			trans	-120.8	155.9	-176.4	-57.6	-72.7	0	0	0	112.2	L167 H504 F531 V533 Y536	L167-F510 HydrophobicContact CD2-CE1 4.32Å; H504-F510 HydrophobicContact CB-CD2 3.94Å; H504-F510 HydrophobicContact CB-CE2 4.17Å; H504-F510 AromaticContact CD2-CE2 3.75Å; H504-F510 AromaticContact CE1-CE2 3.72Å; H504-F510 AromaticContact CG-CD2 3.82Å; H504-F510 AromaticContact CG-CE2 3.56Å; H504-F510 AromaticContact ND1-CD2 3.9Å; H504-F510 AromaticContact ND1-CE2 3.54Å; H504-F510 AromaticContact NE2-CE2 3.83Å; F510-F531 HydrophobicContact CD1-CB 4.14Å; F510-V533 HydrophobicContact CB-CB 4.01Å; F510-V533 HydrophobicContact CD2-CB 3.92Å; F510-V533 HydrophobicContact CD2-CG2 3.73Å; F510-V533 HydrophobicContact CE2-CG2 4.07Å; F510-V533 HydrophobicContact CG-CB 3.93Å; F510-V533 HydrophobicContact CG-CG2 4.27Å; F510-Y536 HydrophobicContact CE2-CD1 4.27Å; F510-Y536 HydrophobicContact CE2-CG 4.37Å; F510-Y536 VanDerWaalsContact CZ-CB 3.47Å; F510-Y536 HydrophobicContact CZ-CD1 4.13Å; F510-Y536 HydrophobicContact CZ-CD2 4.44Å; F510-Y536 AromaticContact CZ-CG 3.77Å; F510-Y536 HydrophobicContact CZ-CG 3.77Å
511	G	93	Very high	95.2	Very high	1 Å²	1	10 Å²	10	1%	0.01	6%	0.056	C	C	.	.	S	Bend	trans	-82.2	-17.4	-178.5	0	0	0	0	0	116.1	F513 L514 I526 T530 F531	G511-F513 VanDerWaalsContact C-N 3.26Å; G511-F513 PolarHBondContact O-N 3.11Å; G511-F513 VanDerWaalsContact O-N 3.1Å; G511-L514 PolarHBondContact O-N 2.99Å; G511-I526 WeakPolarHBondContact O-CG2 3.36Å; G511-T530 VanDerWaalsContact CA-OG1 3.26Å; G511-T530 WeakPolarHBondContact CA-OG1 3.22Å; G511-F531 PolarHBondContact N-O 3.17Å
512	T	94.1	Very high	94.9	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.8	-165.4	-51.2	0	0	0	0	113.8	E445 R521 S532 V533	E445-T512 WeakPolarHBondContact OE1-CG2 3.42Å; T512-R521 PolarHBondContact O-NH1 2.99Å; T512-S532 WeakPolarHBondContact OG1-CA 3.4Å; T512-S532 PolarHBondContact OG1-OG 3.46Å; T512-V533 HydrophobicContact CG2-CG1 3.97Å; T512-V533 PolarHBondContact OG1-N 3.29Å
513	F	96.1	Very high	94.7	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.026	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	19.4	-174.1	-51.1	-54.7	0	0	0	113.9	V444 V449 F455 L459 F473 L501 A505 G511 V533 W534	V444-F513 HydrophobicContact CG1-CE1 3.95Å; V444-F513 HydrophobicContact CG1-CZ 4.22Å; V449-F513 HydrophobicContact CG2-CE1 4.49Å; F455-F513 HydrophobicContact CB-CB 4.22Å; F455-F513 VanDerWaalsContact CB-O 3.3Å; F455-F513 WeakPolarHBondContact CB-O 3.46Å; F455-F513 HydrophobicContact CD1-CB 4.07Å; F455-F513 HydrophobicContact CD1-CD1 4.07Å; F455-F513 HydrophobicContact CD1-CG 4.28Å; F455-F513 AromaticContact CD2-CD1 3.99Å; F455-F513 HydrophobicContact CD2-CD1 3.99Å; F455-F513 AromaticContact CE1-CD1 3.74Å; F455-F513 HydrophobicContact CE1-CD1 3.74Å; F455-F513 HydrophobicContact CE1-CE1 4.25Å; F455-F513 HydrophobicContact CE1-CG 4.24Å; F455-F513 AromaticContact CE2-CD1 3.68Å; F455-F513 HydrophobicContact CE2-CD1 3.68Å; F455-F513 HydrophobicContact CE2-CE1 4.17Å; F455-F513 HydrophobicContact CG-CB 4.06Å; F455-F513 HydrophobicContact CG-CD1 4.17Å; F455-F513 AromaticContact CZ-CD1 3.53Å; F455-F513 HydrophobicContact CZ-CD1 3.53Å; F455-F513 AromaticContact CZ-CE1 3.8Å; F455-F513 HydrophobicContact CZ-CE1 3.8Å; F455-F513 HydrophobicContact CZ-CG 4.46Å; L459-F513 HydrophobicContact CD1-CB 4.02Å; F473-F513 HydrophobicContact CE1-CE2 4.42Å; F473-F513 HydrophobicContact CE1-CZ 4.28Å; F473-F513 HydrophobicContact CZ-CZ 4.25Å; L501-F513 HydrophobicContact CD1-CE2 3.79Å; L501-F513 HydrophobicContact CD1-CZ 3.91Å; A505-F513 HydrophobicContact CB-CD2 4.4Å; G511-F513 VanDerWaalsContact C-N 3.26Å; G511-F513 PolarHBondContact O-N 3.11Å; G511-F513 VanDerWaalsContact O-N 3.1Å; F513-V533 HydrophobicContact CE2-CG1 3.96Å; F513-V533 HydrophobicContact CZ-CG1 4.13Å; F513-W534 HydrophobicContact CZ-CZ2 4.25Å
514	L	94.9	Very high	94.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-81.9	-12.2	-175.1	-65	-171.2	0	0	0	115	L142 I145 A147 F148 A456 M461 G511	L142-L514 HydrophobicContact CD1-CB 4.28Å; I145-L514 HydrophobicContact CD1-CD1 4.46Å; I145-L514 HydrophobicContact CD1-CD2 3.92Å; I145-L514 HydrophobicContact CG2-CD1 4.38Å; I145-L514 HydrophobicContact CG2-CD2 4.23Å; A147-L514 HydrophobicContact CB-CD1 4.31Å; F148-L514 HydrophobicContact CE2-CD1 3.86Å; F148-L514 HydrophobicContact CZ-CD1 4.4Å; A456-L514 WeakPolarHBondContact CB-O 3.42Å; M461-L514 HydrophobicContact CG-CD2 4.49Å; M461-L514 HydrophobicContact SD-CD2 4.09Å; G511-L514 PolarHBondContact O-N 2.99Å
515	C	95.3	Very high	94.2	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.034	15%	0.149	C	C	.	.	S	Bend	trans	-126.6	165.3	-175	-60.7	0	0	0	0	112.3	Q520 R521	C515-Q520 HydrophobicContact CB-CB 4.09Å; C515-Q520 HydrophobicContact CB-CG 4.03Å; C515-R521 HydrophobicContact CB-CG 3.66Å
516	N	95.9	Very high	93.8	Very high	30 Å²	30	29.7 Å²	29.7	16%	0.16	15%	0.149	C	C	.	.	S	Bend	trans	-88.2	-14.1	-178.7	-69.4	-38.1	0	0	0	114.5	G452 H453 K454 A456 E457	G452-N516 CarbonylContact C-O 3.59Å; G452-N516 WeakPolarHBondContact CA-O 3.29Å; H453-N516 VanDerWaalsContact O-O 3.11Å; K454-N516 VanDerWaalsContact CA-OD1 3.22Å; K454-N516 WeakPolarHBondContact CA-OD1 3.34Å; K454-N516 HydrophobicContact CB-CB 4.32Å; K454-N516 WeakPolarHBondContact CB-OD1 3.46Å; K454-N516 HydrophobicContact CG-CB 4.25Å; K454-N516 PolarHBondContact O-OD1 2.88Å; A456-N516 WeakPolarHBondContact CB-OD1 3.34Å; A456-N516 PolarHBondContact N-OD1 3.45Å; A456-N516 VanDerWaalsContact N-OD1 3.1Å; E457-N516 PolarHBondContact N-OD1 3.36Å; E457-N516 VanDerWaalsContact N-OD1 3.1Å; E457-N516 PolarHBondContact OE1-ND2 3.17Å
517	S	95.6	Very high	93.3	Very high	19 Å²	19	32.3 Å²	32.3	13%	0.133	16%	0.163	C	C	.	.	S	Bend	trans	-154.9	161.2	176.3	72.4	0	0	0	0	111.9	P212 A519 Q520 R521	P212-S517 WeakPolarHBondContact O-CB 3.49Å; P212-S517 PolarHBondContact O-OG 2.95Å; S517-A519 PolarHBondContact O-N 3.15Å; S517-A519 PolarHBondContact OG-N 3.16Å; S517-Q520 PolarHBondContact O-N 2.74Å; S517-Q520 PolarHBondContact OG-N 3.1Å; S517-R521 PolarHBondContact O-N 3.18Å
518	A	93.5	Very high	92.8	Very high	17 Å²	17	36 Å²	36	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-34.6	171.1	0	0	0	0	0	112.5	Y208 R521 K522	Y208-A518 HydrophobicContact CE1-CB 4.33Å; Y208-A518 WeakPolarHBondContact OH-CB 3.41Å; A518-R521 PolarHBondContact O-N 3.36Å; A518-K522 PolarHBondContact O-N 2.81Å
519	A	94.6	Very high	92.5	Very high	16 Å²	16	39.5 Å²	39.5	13%	0.132	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-48.2	174.2	0	0	0	0	0	111.5	Y208 P212 S517 R521 K522 E523	Y208-A519 HydrophobicContact CD1-CB 3.75Å; Y208-A519 HydrophobicContact CD2-CB 3.66Å; Y208-A519 HydrophobicContact CE1-CB 4.2Å; Y208-A519 HydrophobicContact CE2-CB 4.11Å; Y208-A519 HydrophobicContact CG-CB 3.46Å; Y208-A519 VanDerWaalsContact CG-CB 3.46Å; P212-A519 HydrophobicContact CB-CB 4.49Å; P212-A519 VanDerWaalsContact O-CB 3.3Å; P212-A519 WeakPolarHBondContact O-CB 3.48Å; S517-A519 PolarHBondContact O-N 3.15Å; S517-A519 PolarHBondContact OG-N 3.16Å; A519-R521 PolarHBondContact O-N 3.4Å; A519-K522 WeakPolarHBondContact O-CB 3.11Å; A519-K522 PolarHBondContact O-N 3.24Å; A519-E523 PolarHBondContact O-N 3.29Å
520	Q	94.2	Very high	92.3	Very high	49 Å²	49	39.7 Å²	39.7	23%	0.229	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-38	176.7	-170.3	-176	23.6	0	0	111.8	C515 S517 K522 E523 M524	C515-Q520 HydrophobicContact CB-CB 4.09Å; C515-Q520 HydrophobicContact CB-CG 4.03Å; S517-Q520 PolarHBondContact O-N 2.74Å; S517-Q520 PolarHBondContact OG-N 3.1Å; Q520-K522 VanDerWaalsContact C-N 3.28Å; Q520-K522 PolarHBondContact O-N 2.74Å; Q520-E523 PolarHBondContact O-N 3.16Å; Q520-M524 HydrophobicContact CG-CG 4.16Å; Q520-M524 WeakPolarHBondContact O-CB 3.36Å; Q520-M524 VanDerWaalsContact O-CG 3.28Å; Q520-M524 WeakPolarHBondContact O-CG 3.23Å; Q520-M524 PolarHBondContact O-N 3.31Å
521	R	92.2	Very high	92.1	Very high	25 Å²	25	39.6 Å²	39.6	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-39.9	174.3	-71.6	179.1	63.4	-175.5	-7.2	111.7	E445 T512 C515 S517 A518 A519 N525 I526	E445-R521 IonicContact OE1-NH1 2.75Å; E445-R521 IonicContact OE2-NH1 2.69Å; E445-R521 PolarHBondContact OE2-NH1 3.2Å; T512-R521 PolarHBondContact O-NH1 2.99Å; C515-R521 HydrophobicContact CB-CG 3.66Å; S517-R521 PolarHBondContact O-N 3.18Å; A518-R521 PolarHBondContact O-N 3.36Å; A519-R521 PolarHBondContact O-N 3.4Å; R521-N525 PolarHBondContact O-N 3.48Å; R521-I526 HydrophobicContact CB-CB 4.38Å; R521-I526 HydrophobicContact CB-CG1 4.26Å; R521-I526 HydrophobicContact CG-CG1 4.42Å; R521-I526 WeakPolarHBondContact O-CG1 3.32Å; R521-I526 PolarHBondContact O-N 2.88Å
522	K	90.7	Very high	92	Very high	143 Å²	143	40.6 Å²	40.6	62%	0.622	20%	0.2	S	C	*	.	H	α-helix	trans	-69	-49.3	177.2	-175.1	179.6	179.7	-178.4	0	111.4	Y208 A518 A519 Q520 M524 N525	Y208-K522 HydrophobicContact CE2-CD 4.04Å; A518-K522 PolarHBondContact O-N 2.81Å; A519-K522 WeakPolarHBondContact O-CB 3.11Å; A519-K522 PolarHBondContact O-N 3.24Å; Q520-K522 VanDerWaalsContact C-N 3.28Å; Q520-K522 PolarHBondContact O-N 2.74Å; K522-M524 VanDerWaalsContact C-N 3.32Å; K522-M524 PolarHBondContact O-N 2.94Å; K522-N525 PolarHBondContact O-N 3.09Å; K522-N525 VanDerWaalsContact O-N 3.12Å
523	E	92.6	Very high	92	Very high	158 Å²	158	40.6 Å²	40.6	74%	0.738	20%	0.199	S	C	*	.	H	α-helix	trans	-56.3	-45.5	178.1	-177.8	-176.4	-172.9	0	0	111.9	A519 Q520 N525	A519-E523 PolarHBondContact O-N 3.29Å; Q520-E523 PolarHBondContact O-N 3.16Å; E523-N525 PolarHBondContact O-N 2.8Å
524	M	90.8	Very high	91.8	Very high	58 Å²	58	40.4 Å²	40.4	29%	0.286	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.2	-178.2	-62.1	-63.1	-68.6	0	0	113.8	L142 Q520 K522 I526 R529	L142-M524 HydrophobicContact CB-CE 4.23Å; L142-M524 HydrophobicContact CD2-CB 4.38Å; L142-M524 HydrophobicContact CD2-CE 3.95Å; Q520-M524 HydrophobicContact CG-CG 4.16Å; Q520-M524 WeakPolarHBondContact O-CB 3.36Å; Q520-M524 VanDerWaalsContact O-CG 3.28Å; Q520-M524 WeakPolarHBondContact O-CG 3.23Å; Q520-M524 PolarHBondContact O-N 3.31Å; K522-M524 VanDerWaalsContact C-N 3.32Å; K522-M524 PolarHBondContact O-N 2.94Å; M524-I526 VanDerWaalsContact C-N 3.29Å; M524-I526 HydrophobicContact CB-CD1 3.74Å; M524-I526 HydrophobicContact CB-CG1 3.99Å; M524-I526 PolarHBondContact O-N 2.83Å; M524-R529 PolarHBondContact O-NH1 3.4Å
525	N	91	Very high	91.5	Very high	73 Å²	73	42.4 Å²	42.4	39%	0.39	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	43.7	-178.5	-165.5	19.9	0	0	0	113.6	R521 K522 E523 L527 H528 R529	R521-N525 PolarHBondContact O-N 3.48Å; K522-N525 PolarHBondContact O-N 3.09Å; K522-N525 VanDerWaalsContact O-N 3.12Å; E523-N525 PolarHBondContact O-N 2.8Å; N525-L527 VanDerWaalsContact C-N 3.3Å; N525-L527 PolarHBondContact O-N 3.39Å; N525-H528 PolarHBondContact O-N 3.38Å; N525-H528 PolarHBondContact OD1-CD2 3.17Å; N525-R529 WeakPolarHBondContact O-CB 3.28Å; N525-R529 VanDerWaalsContact O-CD 3.29Å; N525-R529 WeakPolarHBondContact O-CD 3.15Å; N525-R529 WeakPolarHBondContact O-CG 3.47Å
526	I	89.6	Confident	91.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.21	C	C	.	.			trans	-62.8	-39.4	-173.9	-60	-57.7	0	0	0	111.7	L142 F148 G511 R521 M524 H528 R529 T530	L142-I526 HydrophobicContact CD2-CD1 3.43Å; L142-I526 VanDerWaalsContact CD2-CD1 3.43Å; F148-I526 HydrophobicContact CE1-CD1 4.49Å; F148-I526 HydrophobicContact CZ-CD1 3.95Å; G511-I526 WeakPolarHBondContact O-CG2 3.36Å; R521-I526 HydrophobicContact CB-CB 4.38Å; R521-I526 HydrophobicContact CB-CG1 4.26Å; R521-I526 HydrophobicContact CG-CG1 4.42Å; R521-I526 WeakPolarHBondContact O-CG1 3.32Å; R521-I526 PolarHBondContact O-N 2.88Å; M524-I526 VanDerWaalsContact C-N 3.29Å; M524-I526 HydrophobicContact CB-CD1 3.74Å; M524-I526 HydrophobicContact CB-CG1 3.99Å; M524-I526 PolarHBondContact O-N 2.83Å; I526-H528 VanDerWaalsContact C-N 3.31Å; I526-H528 PolarHBondContact O-N 2.81Å; I526-R529 PolarHBondContact O-N 2.81Å; I526-R529 VanDerWaalsContact O-N 3.16Å; I526-T530 VanDerWaalsContact CG2-OG1 3.26Å; I526-T530 WeakPolarHBondContact CG2-OG1 3.49Å; I526-T530 PolarHBondContact O-N 3.48Å; I526-T530 VanDerWaalsContact O-N 3.09Å; I526-T530 PolarHBondContact O-OG1 3.16Å
527	L	85.3	Confident	91	Very high	61 Å²	61	41.4 Å²	41.4	32%	0.319	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-45.2	-177.6	176	54.8	0	0	0	112.8	C178 N525 R529	C178-L527 HydrophobicContact CB-CD1 3.3Å; C178-L527 HydrophobicContact CB-CD2 3.66Å; C178-L527 HydrophobicContact CB-CG 4.08Å; N525-L527 VanDerWaalsContact C-N 3.3Å; N525-L527 PolarHBondContact O-N 3.39Å; L527-R529 VanDerWaalsContact C-N 3.33Å
528	H	84.4	Confident	90.5	Very high	77 Å²	77	43.6 Å²	43.6	36%	0.356	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.5	-174.8	-59.5	-52.7	0	0	0	113.6	H151 Q173 N525 I526	H151-H528 PolarHBondContact CE1-O 3.31Å; Q173-H528 PolarHBondContact OE1-ND1 3.33Å; Q173-H528 VanDerWaalsContact OE1-ND1 3.13Å; N525-H528 PolarHBondContact O-N 3.38Å; N525-H528 PolarHBondContact OD1-CD2 3.17Å; I526-H528 VanDerWaalsContact C-N 3.31Å; I526-H528 PolarHBondContact O-N 2.81Å
529	R	89.1	Confident	90.1	Very high	78 Å²	78	47.4 Å²	47.4	29%	0.294	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-5.5	-173.5	-63.2	176.2	70.3	-158.2	4.9	113.4	E143 F148 H151 M524 N525 I526 L527	E143-R529 IonicContact OE1-CZ 3.6Å; E143-R529 IonicContact OE1-NH1 3.1Å; E143-R529 PolarHBondContact OE1-NH1 3.46Å; E143-R529 IonicContact OE1-NH2 3.2Å; E143-R529 PolarHBondContact OE1-NH2 3.25Å; F148-R529 HydrophobicContact CD1-CB 3.98Å; F148-R529 HydrophobicContact CE1-CB 3.86Å; H151-R529 WeakPolarHBondContact CB-O 3.48Å; H151-R529 PolarHBondContact ND1-O 3.38Å; M524-R529 PolarHBondContact O-NH1 3.4Å; N525-R529 WeakPolarHBondContact O-CB 3.28Å; N525-R529 VanDerWaalsContact O-CD 3.29Å; N525-R529 WeakPolarHBondContact O-CD 3.15Å; N525-R529 WeakPolarHBondContact O-CG 3.47Å; I526-R529 PolarHBondContact O-N 2.81Å; I526-R529 VanDerWaalsContact O-N 3.16Å; L527-R529 VanDerWaalsContact C-N 3.33Å
530	T	90	Very high	89.6	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.031	25%	0.253	C	S	.	.	S	Bend	trans	-151.9	158.6	-178.7	60.2	0	0	0	0	109.8	A147 F148 G511 I526	A147-T530 HydrophobicContact CB-CG2 3.96Å; F148-T530 HydrophobicContact CD1-CG2 3.86Å; F148-T530 HydrophobicContact CD2-CG2 4.14Å; F148-T530 HydrophobicContact CE1-CG2 3.77Å; F148-T530 HydrophobicContact CE2-CG2 4.02Å; F148-T530 HydrophobicContact CG-CG2 4.06Å; F148-T530 HydrophobicContact CZ-CG2 3.84Å; G511-T530 VanDerWaalsContact CA-OG1 3.26Å; G511-T530 WeakPolarHBondContact CA-OG1 3.22Å; I526-T530 VanDerWaalsContact CG2-OG1 3.26Å; I526-T530 WeakPolarHBondContact CG2-OG1 3.49Å; I526-T530 PolarHBondContact O-N 3.48Å; I526-T530 VanDerWaalsContact O-N 3.09Å; I526-T530 PolarHBondContact O-OG1 3.16Å
531	F	90.9	Very high	89.2	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.026	25%	0.253	C	S	.	.			trans	-85	157.5	172	-64.8	-66.8	0	0	0	112.7	F150 H151 C154 L167 F510 G511	F150-F531 AromaticContact CD1-CD2 3.79Å; F150-F531 HydrophobicContact CD1-CD2 3.79Å; F150-F531 HydrophobicContact CD1-CE2 4.21Å; F150-F531 AromaticContact CE1-CD2 3.56Å; F150-F531 HydrophobicContact CE1-CD2 3.56Å; F150-F531 AromaticContact CE1-CE2 3.96Å; F150-F531 HydrophobicContact CE1-CE2 3.96Å; H151-F531 HydrophobicContact CB-CD2 4.15Å; H151-F531 HydrophobicContact CB-CE2 4.12Å; H151-F531 AromaticContact CD2-CE1 3.91Å; H151-F531 AromaticContact CD2-CZ 3.91Å; C154-F531 HydrophobicContact CB-CE2 3.65Å; C154-F531 HydrophobicContact CB-CZ 3.76Å; L167-F531 HydrophobicContact CB-CD1 4.27Å; L167-F531 HydrophobicContact CB-CE1 4.19Å; L167-F531 HydrophobicContact CD2-CB 3.44Å; L167-F531 VanDerWaalsContact CD2-CB 3.44Å; L167-F531 HydrophobicContact CD2-CD1 3.64Å; L167-F531 HydrophobicContact CD2-CD2 3.85Å; L167-F531 HydrophobicContact CD2-CE1 4.3Å; L167-F531 HydrophobicContact CD2-CE2 4.45Å; L167-F531 HydrophobicContact CD2-CG 3.38Å; F510-F531 HydrophobicContact CD1-CB 4.14Å; G511-F531 PolarHBondContact N-O 3.17Å
532	S	91	Very high	88.9	Confident	22 Å²	22	51.7 Å²	51.7	15%	0.154	27%	0.266	C	S	.	.			trans	-85.3	141.4	172.8	-177.7	0	0	0	0	110.6	T512 W534 D535	T512-S532 WeakPolarHBondContact OG1-CA 3.4Å; T512-S532 PolarHBondContact OG1-OG 3.46Å; S532-W534 PolarHBondContact O-N 3.31Å; S532-W534 PolarHBondContact OG-N 2.98Å; S532-D535 WeakPolarHBondContact CB-OD2 3.49Å; S532-D535 PolarHBondContact N-OD2 3.3Å; S532-D535 VanDerWaalsContact N-OD2 3.1Å; S532-D535 WeakPolarHBondContact O-CB 3.48Å; S532-D535 PolarHBondContact O-N 3.42Å; S532-D535 VanDerWaalsContact O-N 3.14Å
533	V	93.6	Very high	88.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-25.7	170.4	73.1	0	0	0	0	111.8	H504 F510 T512 F513 D535 Y536 L537	H504-V533 HydrophobicContact CB-CG2 3.85Å; F510-V533 HydrophobicContact CB-CB 4.01Å; F510-V533 HydrophobicContact CD2-CB 3.92Å; F510-V533 HydrophobicContact CD2-CG2 3.73Å; F510-V533 HydrophobicContact CE2-CG2 4.07Å; F510-V533 HydrophobicContact CG-CB 3.93Å; F510-V533 HydrophobicContact CG-CG2 4.27Å; T512-V533 HydrophobicContact CG2-CG1 3.97Å; T512-V533 PolarHBondContact OG1-N 3.29Å; F513-V533 HydrophobicContact CE2-CG1 3.96Å; F513-V533 HydrophobicContact CZ-CG1 4.13Å; V533-D535 VanDerWaalsContact C-N 3.31Å; V533-D535 PolarHBondContact O-N 3.2Å; V533-Y536 WeakPolarHBondContact O-CB 3.42Å; V533-Y536 PolarHBondContact O-N 3.23Å; V533-L537 HydrophobicContact CG2-CD1 3.87Å; V533-L537 HydrophobicContact CG2-CG 4.17Å; V533-L537 WeakPolarHBondContact O-CB 3.47Å; V533-L537 PolarHBondContact O-N 3.45Å
534	W	93.2	Very high	88.8	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-73.6	-21.8	179.6	-50.3	124.4	0	0	0	113.7	R441 V444 E445 F497 L501 F513 S532 Y536 L537 N538	R441-W534 HydrophobicContact CB-CD2 4.1Å; R441-W534 HydrophobicContact CB-CE3 3.93Å; R441-W534 HydrophobicContact CB-CZ3 4.19Å; R441-W534 HydrophobicContact CG-CB 4.29Å; R441-W534 HydrophobicContact CG-CD2 3.63Å; R441-W534 HydrophobicContact CG-CE3 3.99Å; R441-W534 HydrophobicContact CG-CG 3.74Å; V444-W534 HydrophobicContact CB-CH2 3.81Å; V444-W534 HydrophobicContact CB-CZ2 3.74Å; V444-W534 HydrophobicContact CG1-CH2 3.95Å; V444-W534 HydrophobicContact CG1-CZ2 3.66Å; V444-W534 HydrophobicContact CG2-CH2 4.09Å; E445-W534 PolarHBondContact OE1-NE1 3.29Å; F497-W534 HydrophobicContact CZ-CZ3 4.26Å; L501-W534 HydrophobicContact CD1-CH2 4.21Å; L501-W534 HydrophobicContact CD1-CZ3 4.38Å; L501-W534 HydrophobicContact CD2-CH2 4.45Å; F513-W534 HydrophobicContact CZ-CZ2 4.25Å; S532-W534 PolarHBondContact O-N 3.31Å; S532-W534 PolarHBondContact OG-N 2.98Å; W534-Y536 VanDerWaalsContact C-N 3.25Å; W534-L537 HydrophobicContact CE3-CB 4.47Å; W534-L537 HydrophobicContact CZ3-CD1 4.46Å; W534-L537 CarbonylContact O-C 3.56Å; W534-N538 PolarHBondContact O-N 2.85Å
535	D	87.3	Confident	88.9	Confident	43 Å²	43	42.1 Å²	42.1	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-68.6	-34.5	173.1	-54.1	-30.6	0	0	0	109.6	L167 S532 V533 N538	L167-D535 HydrophobicContact CD2-CB 3.96Å; L167-D535 HydrophobicContact CG-CB 4.44Å; S532-D535 WeakPolarHBondContact CB-OD2 3.49Å; S532-D535 PolarHBondContact N-OD2 3.3Å; S532-D535 VanDerWaalsContact N-OD2 3.1Å; S532-D535 WeakPolarHBondContact O-CB 3.48Å; S532-D535 PolarHBondContact O-N 3.42Å; S532-D535 VanDerWaalsContact O-N 3.14Å; V533-D535 VanDerWaalsContact C-N 3.31Å; V533-D535 PolarHBondContact O-N 3.2Å; D535-N538 PolarHBondContact O-ND2 3.03Å
536	Y	89.2	Confident	89	Confident	11 Å²	11	38.9 Å²	38.9	4%	0.043	20%	0.202	C	C	.	.	H	α-helix	trans	-77.8	-50.6	173.8	175.8	-107.2	0	0	0	112.1	L165 K500 H504 F510 V533 W534 N538 F544 D810 D812	L165-Y536 HydrophobicContact CD2-CD2 4.25Å; K500-Y536 HydrophobicContact CB-CE1 4.32Å; K500-Y536 HydrophobicContact CD-CE1 4.34Å; K500-Y536 VanDerWaalsContact CE-OH 3.24Å; K500-Y536 WeakPolarHBondContact CE-OH 3.43Å; K500-Y536 HydrophobicContact CG-CE1 4.35Å; K500-Y536 PolarHBondContact NZ-OH 3.27Å; H504-Y536 AromaticContact CD2-CD1 3.95Å; H504-Y536 AromaticContact CD2-CE1 3.8Å; H504-Y536 AromaticContact NE2-CD1 3.86Å; H504-Y536 AromaticContact NE2-CE1 3.43Å; H504-Y536 WeakPolarHBondContact NE2-CE1 3.38Å; F510-Y536 HydrophobicContact CE2-CD1 4.27Å; F510-Y536 HydrophobicContact CE2-CG 4.37Å; F510-Y536 VanDerWaalsContact CZ-CB 3.47Å; F510-Y536 HydrophobicContact CZ-CD1 4.13Å; F510-Y536 HydrophobicContact CZ-CD2 4.44Å; F510-Y536 AromaticContact CZ-CG 3.77Å; F510-Y536 HydrophobicContact CZ-CG 3.77Å; V533-Y536 WeakPolarHBondContact O-CB 3.42Å; V533-Y536 PolarHBondContact O-N 3.23Å; W534-Y536 VanDerWaalsContact C-N 3.25Å; Y536-N538 PolarHBondContact O-N 3.07Å; Y536-N538 PolarHBondContact O-ND2 3.3Å; Y536-F544 HydrophobicContact CD1-CZ 4.43Å; Y536-F544 AromaticContact CE1-CZ 3.83Å; Y536-F544 HydrophobicContact CE1-CZ 3.83Å; Y536-F544 AromaticContact CZ-CZ 3.95Å; Y536-F544 WeakPolarHBondContact O-CE2 3.28Å; Y536-D810 PolarHBondContact OH-OD2 3.06Å; Y536-D812 HydrophobicContact CE2-CB 4.01Å; Y536-D812 PolarHBondContact OH-OD2 2.97Å
537	L	91.5	Very high	89.1	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-82.9	49	179.3	-61.1	-178.6	0	0	0	112.4	F497 K500 L501 V533 W534 F544	F497-L537 HydrophobicContact CD2-CB 4.09Å; F497-L537 HydrophobicContact CD2-CD1 4.48Å; F497-L537 HydrophobicContact CD2-CD2 4.26Å; F497-L537 HydrophobicContact CE2-CB 3.7Å; F497-L537 HydrophobicContact CE2-CD1 4.22Å; F497-L537 HydrophobicContact CE2-CG 4.41Å; F497-L537 HydrophobicContact CZ-CD1 4.47Å; K500-L537 HydrophobicContact CB-CD2 3.85Å; L501-L537 HydrophobicContact CB-CD1 3.85Å; L501-L537 HydrophobicContact CD1-CD1 3.91Å; L501-L537 HydrophobicContact CG-CD1 4.4Å; V533-L537 HydrophobicContact CG2-CD1 3.87Å; V533-L537 HydrophobicContact CG2-CG 4.17Å; V533-L537 WeakPolarHBondContact O-CB 3.47Å; V533-L537 PolarHBondContact O-N 3.45Å; W534-L537 HydrophobicContact CE3-CB 4.47Å; W534-L537 HydrophobicContact CZ3-CD1 4.46Å; W534-L537 CarbonylContact O-C 3.56Å; L537-F544 HydrophobicContact CD2-CD1 4.35Å; L537-F544 HydrophobicContact CD2-CD2 4.25Å; L537-F544 HydrophobicContact CD2-CE1 3.91Å; L537-F544 HydrophobicContact CD2-CE2 3.8Å; L537-F544 HydrophobicContact CD2-CZ 3.61Å
538	N	85.7	Confident	89.4	Confident	65 Å²	65	41.5 Å²	41.5	35%	0.348	21%	0.213	S	C	.	.			trans	-87.8	158.8	-175.9	70.4	73.4	0	0	0	113.1	W534 D535 Y536 G540 N541	W534-N538 PolarHBondContact O-N 2.85Å; D535-N538 PolarHBondContact O-ND2 3.03Å; Y536-N538 PolarHBondContact O-N 3.07Å; Y536-N538 PolarHBondContact O-ND2 3.3Å; N538-G540 PolarHBondContact O-N 3.02Å; N538-G540 WeakPolarHBondContact OD1-CA 3.33Å; N538-G540 PolarHBondContact OD1-N 2.97Å; N538-N541 PolarHBondContact O-N 3.4Å; N538-N541 PolarHBondContact OD1-N 2.95Å
539	E	85.4	Confident	89.8	Confident	97 Å²	97	39.9 Å²	39.9	45%	0.453	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.7	-179.7	-70.2	163.4	-127.9	0	0	114.1	I437 K438 N541	I437-E539 HydrophobicContact CB-CG 3.79Å; I437-E539 HydrophobicContact CG2-CG 3.57Å; K438-E539 VanDerWaalsContact CB-OE1 3.29Å; K438-E539 WeakPolarHBondContact CB-OE1 3.31Å; E539-N541 VanDerWaalsContact C-N 3.3Å; E539-N541 PolarHBondContact O-N 2.8Å
540	G	84	Confident	89.8	Confident	63 Å²	63	38 Å²	38	65%	0.649	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-16.9	-179.4	0	0	0	0	0	113.7	N538 L542	N538-G540 PolarHBondContact O-N 3.02Å; N538-G540 WeakPolarHBondContact OD1-CA 3.33Å; N538-G540 PolarHBondContact OD1-N 2.97Å; G540-L542 PolarHBondContact O-N 3.18Å
541	N	85.3	Confident	89.4	Confident	45 Å²	45	45.3 Å²	45.3	24%	0.241	24%	0.244	C	C	.	.			trans	-87.9	99.6	179.4	-169.7	-16.2	0	0	0	111.2	N538 E539 Q543 F544	N538-N541 PolarHBondContact O-N 3.4Å; N538-N541 PolarHBondContact OD1-N 2.95Å; E539-N541 VanDerWaalsContact C-N 3.3Å; E539-N541 PolarHBondContact O-N 2.8Å; N541-Q543 PolarHBondContact ND2-NE2 3.44Å; N541-Q543 PolarHBondContact O-N 3.17Å; N541-Q543 VanDerWaalsContact OD1-CG 3.22Å; N541-Q543 WeakPolarHBondContact OD1-CG 3.16Å; N541-Q543 PolarHBondContact OD1-N 3.43Å; N541-F544 HydrophobicContact CB-CD2 3.68Å; N541-F544 HydrophobicContact CB-CE2 3.89Å; N541-F544 WeakPolarHBondContact ND2-CE2 3.35Å; N541-F544 WeakPolarHBondContact O-CB 3.34Å; N541-F544 PolarHBondContact O-N 3.01Å
542	L	87	Confident	88.9	Confident	71 Å²	71	49.8 Å²	49.8	37%	0.372	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55.9	-23.5	-175.7	-63.9	-180	0	0	0	114.7	G540 F544 R545 F547	G540-L542 PolarHBondContact O-N 3.18Å; L542-F544 PolarHBondContact O-N 2.7Å; L542-R545 PolarHBondContact O-N 2.63Å; L542-R545 VanDerWaalsContact O-N 3.1Å; L542-F547 HydrophobicContact CB-CZ 4.26Å; L542-F547 HydrophobicContact CD2-CZ 4.46Å
543	Q	87.7	Confident	88.4	Confident	52 Å²	52	55.7 Å²	55.7	24%	0.243	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-65.3	-23.6	176.9	83.9	-172.3	-27.6	0	0	112.9	S494 N541	S494-Q543 PolarHBondContact OG-O 3.24Å; N541-Q543 PolarHBondContact ND2-NE2 3.44Å; N541-Q543 PolarHBondContact O-N 3.17Å; N541-Q543 VanDerWaalsContact OD1-CG 3.22Å; N541-Q543 WeakPolarHBondContact OD1-CG 3.16Å; N541-Q543 PolarHBondContact OD1-N 3.43Å
544	F	92.9	Very high	88.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-89.6	-6.4	178.2	-60.1	-37.9	0	0	0	112.9	F493 S494 V496 F497 K500 Y536 L537 N541 L542	F493-F544 CarbonylContact C-O 3.57Å; F493-F544 VanDerWaalsContact CA-O 3.25Å; F493-F544 WeakPolarHBondContact CA-O 3.46Å; S494-F544 PolarHBondContact N-O 3.29Å; S494-F544 WeakPolarHBondContact OG-CA 3.24Å; S494-F544 PolarHBondContact OG-O 2.89Å; V496-F544 HydrophobicContact CG1-CD1 4.19Å; V496-F544 HydrophobicContact CG1-CE1 4.13Å; F497-F544 HydrophobicContact CB-CB 4.03Å; F497-F544 HydrophobicContact CB-CD1 4.08Å; F497-F544 HydrophobicContact CB-CG 4.31Å; F497-F544 HydrophobicContact CD2-CB 3.96Å; F497-F544 HydrophobicContact CD2-CG 4.16Å; F497-F544 HydrophobicContact CG-CB 4.49Å; K500-F544 HydrophobicContact CB-CE1 4.39Å; K500-F544 HydrophobicContact CG-CE1 3.95Å; K500-F544 HydrophobicContact CG-CZ 4.48Å; Y536-F544 HydrophobicContact CD1-CZ 4.43Å; Y536-F544 AromaticContact CE1-CZ 3.83Å; Y536-F544 HydrophobicContact CE1-CZ 3.83Å; Y536-F544 AromaticContact CZ-CZ 3.95Å; Y536-F544 WeakPolarHBondContact O-CE2 3.28Å; L537-F544 HydrophobicContact CD2-CD1 4.35Å; L537-F544 HydrophobicContact CD2-CD2 4.25Å; L537-F544 HydrophobicContact CD2-CE1 3.91Å; L537-F544 HydrophobicContact CD2-CE2 3.8Å; L537-F544 HydrophobicContact CD2-CZ 3.61Å; N541-F544 HydrophobicContact CB-CD2 3.68Å; N541-F544 HydrophobicContact CB-CE2 3.89Å; N541-F544 WeakPolarHBondContact ND2-CE2 3.35Å; N541-F544 WeakPolarHBondContact O-CB 3.34Å; N541-F544 PolarHBondContact O-N 3.01Å; L542-F544 PolarHBondContact O-N 2.7Å
545	R	92.8	Very high	88.2	Confident	106 Å²	106	59.8 Å²	59.8	40%	0.4	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-89.9	135.7	179.3	-170.1	171	178.8	165.8	-0.7	110.6	E492 L542	E492-R545 CarbonylContact O-C 3.32Å; E492-R545 WeakPolarHBondContact O-CA 3.33Å; L542-R545 PolarHBondContact O-N 2.63Å; L542-R545 VanDerWaalsContact O-N 3.1Å
546	N	93.9	Very high	88.5	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.032	31%	0.311	C	S	.	.			trans	-87.5	111.8	166.2	176.5	13.6	0	0	0	108.7	P488 F491 E492 L548 F549 Q822	P488-N546 PolarHBondContact O-ND2 3.12Å; F491-N546 WeakPolarHBondContact O-CB 3.46Å; F491-N546 PolarHBondContact O-ND2 3.47Å; E492-N546 WeakPolarHBondContact O-CB 3.43Å; E492-N546 PolarHBondContact O-N 3.03Å; N546-L548 PolarHBondContact O-N 3.03Å; N546-L548 WeakPolarHBondContact OD1-CB 3.44Å; N546-L548 PolarHBondContact OD1-N 2.99Å; N546-F549 WeakPolarHBondContact O-CB 3.45Å; N546-F549 PolarHBondContact O-N 3.05Å; N546-F549 VanDerWaalsContact O-N 3.14Å; N546-Q822 PolarHBondContact OD1-NE2 3.4Å; N546-Q822 PolarHBondContact OD1-OE1 2.96Å
547	F	91.1	Very high	88.2	Confident	43 Å²	43	61.7 Å²	61.7	19%	0.189	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10	-178.4	-69.8	-89.6	0	0	0	113.6	L542 F549 I825 Q826 V829	L542-F547 HydrophobicContact CB-CZ 4.26Å; L542-F547 HydrophobicContact CD2-CZ 4.46Å; F547-F549 VanDerWaalsContact C-N 3.3Å; F547-I825 HydrophobicContact CB-CB 4.19Å; F547-I825 HydrophobicContact CB-CG2 3.39Å; F547-I825 HydrophobicContact CG-CG2 4.25Å; F547-Q826 HydrophobicContact CD2-CB 4.02Å; F547-Q826 HydrophobicContact CE1-CB 4.25Å; F547-Q826 HydrophobicContact CE1-CG 4.09Å; F547-Q826 HydrophobicContact CE2-CB 3.54Å; F547-Q826 HydrophobicContact CE2-CG 3.81Å; F547-Q826 HydrophobicContact CZ-CB 3.66Å; F547-Q826 HydrophobicContact CZ-CG 3.45Å; F547-Q826 VanDerWaalsContact CZ-CG 3.45Å; F547-V829 HydrophobicContact CD1-CB 4.45Å; F547-V829 HydrophobicContact CD1-CG1 4.49Å; F547-V829 HydrophobicContact CD1-CG2 4.23Å
548	L	90.7	Very high	87.2	Confident	73 Å²	73	61.9 Å²	61.9	38%	0.382	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.7	170.9	-61.2	177.6	0	0	0	112.9	C489 N546 A550 I825	C489-L548 WeakPolarHBondContact CA-O 3.42Å; C489-L548 WeakPolarHBondContact CB-O 3.48Å; N546-L548 PolarHBondContact O-N 3.03Å; N546-L548 WeakPolarHBondContact OD1-CB 3.44Å; N546-L548 PolarHBondContact OD1-N 2.99Å; L548-A550 PolarHBondContact O-N 3.15Å; L548-I825 HydrophobicContact CD1-CD1 4.2Å; L548-I825 HydrophobicContact CD2-CD1 3.79Å; L548-I825 HydrophobicContact CG-CD1 3.85Å
549	F	93.2	Very high	86.2	Confident	44 Å²	44	62.9 Å²	62.9	19%	0.193	34%	0.343	C	S	.	.			trans	-59.2	123.6	-178	177.1	-122.6	0	0	0	111.8	T436 C489 E492 N546 F547 I551	T436-F549 HydrophobicContact CG2-CZ 4.26Å; C489-F549 CarbonylContact O-C 3.6Å; C489-F549 WeakPolarHBondContact O-CA 3.43Å; E492-F549 VanDerWaalsContact CA-CG 3.44Å; E492-F549 HydrophobicContact CB-CD1 3.6Å; E492-F549 HydrophobicContact CB-CD2 4.17Å; E492-F549 HydrophobicContact CB-CE1 3.72Å; E492-F549 HydrophobicContact CB-CE2 4.27Å; E492-F549 HydrophobicContact CB-CG 3.84Å; E492-F549 HydrophobicContact CB-CZ 4.06Å; E492-F549 HydrophobicContact CG-CD1 3.74Å; E492-F549 HydrophobicContact CG-CE1 4.01Å; E492-F549 HydrophobicContact CG-CG 4.32Å; E492-F549 VanDerWaalsContact N-CD2 3.32Å; N546-F549 WeakPolarHBondContact O-CB 3.45Å; N546-F549 PolarHBondContact O-N 3.05Å; N546-F549 VanDerWaalsContact O-N 3.14Å; F547-F549 VanDerWaalsContact C-N 3.3Å; F549-I551 HydrophobicContact CE1-CG1 3.91Å; F549-I551 HydrophobicContact CZ-CG1 4.07Å
550	A	89.6	Confident	85.3	Confident	39 Å²	39	59.3 Å²	59.3	32%	0.322	33%	0.327	S	S	.	.			trans	-119.2	134.4	172.9	0	0	0	0	0	109.2	C489 L548 E552	C489-A550 PolarHBondContact O-N 2.97Å; L548-A550 PolarHBondContact O-N 3.15Å; A550-E552 HydrophobicContact CB-CG 4.49Å; A550-E552 PolarHBondContact O-N 2.86Å; A550-E552 VanDerWaalsContact O-N 3.1Å
551	I	81.3	Confident	84.4	Confident	157 Å²	157	62.3 Å²	62.3	81%	0.805	32%	0.319	S	S	*	.			trans	-76.3	102.5	177.2	-57.9	173.5	0	0	0	107.8	F549	F549-I551 HydrophobicContact CE1-CG1 3.91Å; F549-I551 HydrophobicContact CZ-CG1 4.07Å
552	E	81.5	Confident	83.4	Confident	101 Å²	101	63.5 Å²	63.5	47%	0.472	33%	0.325	S	S	.	.			trans	-122.3	126.6	174.5	-65.4	-175.7	178.5	0	0	109.8	P432 A550 T554	P432-E552 WeakPolarHBondContact CG-O 3.46Å; A550-E552 HydrophobicContact CB-CG 4.49Å; A550-E552 PolarHBondContact O-N 2.86Å; A550-E552 VanDerWaalsContact O-N 3.1Å; E552-T554 HydrophobicContact CB-CG2 4.22Å; E552-T554 PolarHBondContact O-N 3.42Å
553	D	80.2	Confident	82.5	Confident	145 Å²	145	68.9 Å²	68.9	78%	0.775	34%	0.34	S	S	*	.			trans	-80.7	62.1	176.8	-163.3	21.1	0	0	0	111.3
554	T	88.5	Confident	81.6	Confident	56 Å²	56	69 Å²	69	34%	0.344	34%	0.343	S	S	.	.			trans	-119.3	136.2	-174.3	56.5	0	0	0	0	112.9	R435 E552	R435-T554 VanDerWaalsContact CZ-O 3.32Å; R435-T554 PolarHBondContact NH1-O 3.37Å; R435-T554 PolarHBondContact NH2-O 2.93Å; E552-T554 HydrophobicContact CB-CG2 4.22Å; E552-T554 PolarHBondContact O-N 3.42Å
555	V	94	Very high	80.4	Confident	34 Å²	34	69.3 Å²	69.3	21%	0.206	34%	0.344	C	S	.	.			trans	-75.6	129.4	166	177.2	0	0	0	0	108.5	V398 H402 L429 L430 L557	V398-V555 HydrophobicContact CG1-CG1 3.54Å; H402-V555 HydrophobicContact CB-CG1 4.48Å; L429-V555 WeakPolarHBondContact O-CA 3.2Å; L430-V555 HydrophobicContact CD2-CG1 4.34Å; V555-L557 HydrophobicContact CG1-CD2 4.28Å; V555-L557 HydrophobicContact CG1-CG 4.35Å; V555-L557 PolarHBondContact O-N 3.38Å
556	L	92.8	Very high	79	Confident	8 Å²	8	66.7 Å²	66.7	4%	0.042	35%	0.35	C	S	.	.			trans	-89.1	108.6	179.2	-59.6	177.7	0	0	0	109.8	L429 R435 Y487 F491	L429-L556 HydrophobicContact CD2-CB 3.93Å; L429-L556 PolarHBondContact O-N 3.18Å; R435-L556 VanDerWaalsContact CZ-CD1 3.46Å; R435-L556 VanDerWaalsContact CZ-CG 3.42Å; Y487-L556 HydrophobicContact CD1-CD2 3.71Å; Y487-L556 HydrophobicContact CD2-CB 4.43Å; Y487-L556 HydrophobicContact CD2-CD1 3.82Å; Y487-L556 HydrophobicContact CD2-CD2 4.39Å; Y487-L556 HydrophobicContact CD2-CG 4.41Å; Y487-L556 HydrophobicContact CE1-CB 4.48Å; Y487-L556 HydrophobicContact CE1-CD2 3.8Å; Y487-L556 HydrophobicContact CE2-CB 3.97Å; Y487-L556 HydrophobicContact CE2-CD1 4.21Å; Y487-L556 HydrophobicContact CE2-CD2 4.46Å; Y487-L556 HydrophobicContact CE2-CG 4.41Å; Y487-L556 HydrophobicContact CG-CD1 3.97Å; Y487-L556 HydrophobicContact CG-CD2 3.99Å; Y487-L556 HydrophobicContact CG-CG 4.45Å; F491-L556 HydrophobicContact CE2-CD1 4.13Å; F491-L556 HydrophobicContact CZ-CD1 4.17Å
557	L	83.7	Confident	77.9	Confident	87 Å²	87	68.9 Å²	68.9	46%	0.455	37%	0.366	S	S	.	.			trans	-100.8	76.8	175.7	-65.7	172.7	0	0	0	109.3	V398 Y487 V555 C559	V398-L557 HydrophobicContact CG1-CD2 3.65Å; Y487-L557 VanDerWaalsContact OH-C 3.31Å; Y487-L557 PolarHBondContact OH-O 3.16Å; V555-L557 HydrophobicContact CG1-CD2 4.28Å; V555-L557 HydrophobicContact CG1-CG 4.35Å; V555-L557 PolarHBondContact O-N 3.38Å; L557-C559 PolarHBondContact O-N 2.84Å
558	S	71	Confident	77.3	Confident	8 Å²	8	67.8 Å²	67.8	6%	0.056	36%	0.362	C	S	.	.			trans	-61.2	133.1	-179.4	-172.5	0	0	0	0	111.9	L395 Y487 L560	L395-S558 WeakPolarHBondContact CD1-O 3.47Å; Y487-S558 WeakPolarHBondContact OH-CA 3.25Å; Y487-S558 PolarHBondContact OH-N 3.49Å; S558-L560 PolarHBondContact O-N 2.97Å; S558-L560 VanDerWaalsContact OG-CD2 3.32Å; S558-L560 WeakPolarHBondContact OG-CD2 3.15Å
559	C	63.1	Low	77.2	Confident	86 Å²	86	64.3 Å²	64.3	58%	0.581	34%	0.343	S	S	*	.			trans	-87.6	90.8	169.1	-170.5	0	0	0	0	108.8	L557 R561	L557-C559 PolarHBondContact O-N 2.84Å; C559-R561 PolarHBondContact O-N 2.88Å
560	L	67.1	Low	76.8	Confident	21 Å²	21	67.9 Å²	67.9	11%	0.11	36%	0.356	C	S	.	.			trans	-84.9	112	-174.6	-63.4	170.1	0	0	0	111.5	L391 N392 L395 Y482 S558 M565	L391-L560 HydrophobicContact CB-CD1 3.3Å; L391-L560 HydrophobicContact CB-CD2 4.25Å; L391-L560 HydrophobicContact CB-CG 4.43Å; L391-L560 HydrophobicContact CD1-CD1 4.5Å; L391-L560 HydrophobicContact CD1-CD2 3.96Å; L391-L560 HydrophobicContact CG-CD1 4.42Å; N392-L560 WeakPolarHBondContact OD1-CD1 3.49Å; L395-L560 HydrophobicContact CD1-CB 4.39Å; L395-L560 HydrophobicContact CD1-CD1 3.23Å; L395-L560 HydrophobicContact CD1-CG 3.64Å; L395-L560 HydrophobicContact CG-CD1 3.93Å; Y482-L560 HydrophobicContact CD1-CD2 4.06Å; Y482-L560 HydrophobicContact CE1-CD2 3.23Å; S558-L560 PolarHBondContact O-N 2.97Å; S558-L560 VanDerWaalsContact OG-CD2 3.32Å; S558-L560 WeakPolarHBondContact OG-CD2 3.15Å; L560-M565 HydrophobicContact CD2-SD 4.38Å
561	R	66.1	Low	76.6	Confident	126 Å²	126	67 Å²	67	48%	0.475	35%	0.346	S	S	.	.			trans	-116.9	145.8	161.6	-60	174.1	-64	-161.3	-5.7	109.3	C559 R563 D564 M565	C559-R561 PolarHBondContact O-N 2.88Å; R561-R563 VanDerWaalsContact CZ-NH2 3.32Å; R561-R563 PolarHBondContact O-N 3.08Å; R561-R563 VanDerWaalsContact O-N 3.07Å; R561-D564 WeakPolarHBondContact CB-OD2 3.44Å; R561-D564 IonicContact CZ-OD2 2.8Å; R561-D564 IonicContact NE-OD1 3.16Å; R561-D564 IonicContact NE-OD2 2.81Å; R561-D564 PolarHBondContact NE-OD2 2.98Å; R561-D564 IonicContact NH2-OD1 2.96Å; R561-D564 IonicContact NH2-OD2 3.36Å; R561-D564 PolarHBondContact NH2-OD2 3.22Å; R561-D564 WeakPolarHBondContact O-CA 3.49Å; R561-D564 WeakPolarHBondContact O-CB 3.34Å; R561-D564 PolarHBondContact O-N 3.05Å; R561-M565 PolarHBondContact O-N 3.07Å
562	L	63.7	Low	76.9	Confident	71 Å²	71	59.8 Å²	59.8	37%	0.372	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-35	177.6	-162.4	99.2	0	0	0	112.3	H385 C388 D564 M565	H385-L562 HydrophobicContact CB-CD1 4.32Å; C388-L562 HydrophobicContact CB-CD1 4.03Å; L562-D564 VanDerWaalsContact C-N 3.3Å; L562-D564 PolarHBondContact O-N 3.37Å; L562-M565 WeakPolarHBondContact O-CB 3.45Å; L562-M565 PolarHBondContact O-N 3.36Å
563	R	67.9	Low	77.2	Confident	184 Å²	184	55 Å²	55	69%	0.694	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-37.7	176.1	-175.2	-179.4	66.3	-166.9	0.8	112.7	R561 M565 G566	R561-R563 VanDerWaalsContact CZ-NH2 3.32Å; R561-R563 PolarHBondContact O-N 3.08Å; R561-R563 VanDerWaalsContact O-N 3.07Å; R563-M565 VanDerWaalsContact C-N 3.3Å; R563-G566 PolarHBondContact O-N 3.31Å
564	D	68.6	Low	77	Confident	54 Å²	54	48.4 Å²	48.4	29%	0.289	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-25.8	-176.5	-54.2	-25.6	0	0	0	109.7	R561 L562 G566	R561-D564 WeakPolarHBondContact CB-OD2 3.44Å; R561-D564 IonicContact CZ-OD2 2.8Å; R561-D564 IonicContact NE-OD1 3.16Å; R561-D564 IonicContact NE-OD2 2.81Å; R561-D564 PolarHBondContact NE-OD2 2.98Å; R561-D564 IonicContact NH2-OD1 2.96Å; R561-D564 IonicContact NH2-OD2 3.36Å; R561-D564 PolarHBondContact NH2-OD2 3.22Å; R561-D564 WeakPolarHBondContact O-CA 3.49Å; R561-D564 WeakPolarHBondContact O-CB 3.34Å; R561-D564 PolarHBondContact O-N 3.05Å; L562-D564 VanDerWaalsContact C-N 3.3Å; L562-D564 PolarHBondContact O-N 3.37Å; D564-G566 PolarHBondContact O-N 2.93Å
565	M	69	Low	75.7	Confident	7 Å²	7	47.7 Å²	47.7	3%	0.034	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1	169.9	-61.1	-73.3	-71.2	0	0	114.3	L387 C388 L391 Y482 L560 R561 L562 R563 S567	L387-M565 HydrophobicContact CB-CE 3.49Å; L387-M565 VanDerWaalsContact CB-CE 3.49Å; L387-M565 HydrophobicContact CD1-CE 4.2Å; L387-M565 HydrophobicContact CG-CE 4.5Å; C388-M565 HydrophobicContact CB-CG 4.45Å; L391-M565 HydrophobicContact CD1-CE 3.47Å; L391-M565 VanDerWaalsContact CD1-CE 3.47Å; L391-M565 HydrophobicContact CD1-SD 3.66Å; Y482-M565 HydrophobicContact CD1-SD 3.54Å; Y482-M565 VanDerWaalsContact CD1-SD 3.54Å; Y482-M565 HydrophobicContact CD2-CE 4.35Å; Y482-M565 HydrophobicContact CD2-CG 4.43Å; Y482-M565 HydrophobicContact CD2-SD 3.25Å; Y482-M565 WeakPolarHBondContact CD2-SD 3.44Å; Y482-M565 HydrophobicContact CE1-SD 3.71Å; Y482-M565 HydrophobicContact CE2-CG 4.23Å; Y482-M565 HydrophobicContact CE2-SD 3.43Å; Y482-M565 WeakPolarHBondContact CE2-SD 3.4Å; Y482-M565 HydrophobicContact CG-CE 4.1Å; Y482-M565 HydrophobicContact CG-SD 3.3Å; L560-M565 HydrophobicContact CD2-SD 4.38Å; R561-M565 PolarHBondContact O-N 3.07Å; L562-M565 WeakPolarHBondContact O-CB 3.45Å; L562-M565 PolarHBondContact O-N 3.36Å; R563-M565 VanDerWaalsContact C-N 3.3Å; M565-S567 PolarHBondContact O-N 3.25Å
566	G	61.8	Low	73.9	Confident	50 Å²	50	47.6 Å²	47.6	52%	0.515	25%	0.247	S	C	.	.			trans	-66.5	-6.9	-170.1	0	0	0	0	0	115.8	R563 D564 L568	R563-G566 PolarHBondContact O-N 3.31Å; D564-G566 PolarHBondContact O-N 2.93Å; G566-L568 PolarHBondContact O-N 2.89Å
567	S	70.6	Confident	71.7	Confident	53 Å²	53	48.7 Å²	48.7	37%	0.371	25%	0.253	S	S	.	.	S	Bend	trans	-87.7	106.6	179.2	-155.7	0	0	0	0	111.3	R485 M565	R485-S567 VanDerWaalsContact NH1-CB 3.3Å; R485-S567 PolarHBondContact NH1-OG 2.96Å; R485-S567 PolarHBondContact NH2-OG 3.1Å; M565-S567 PolarHBondContact O-N 3.25Å
568	L	79.7	Confident	69.5	Low	19 Å²	19	45.5 Å²	45.5	10%	0.099	24%	0.236	C	C	.	.			trans	-53.5	139.2	171.4	-177.9	66.3	0	0	0	111.2	F362 I366 G566 R570 Y573	F362-L568 HydrophobicContact CE1-CD1 4.31Å; F362-L568 HydrophobicContact CE2-CD1 3.52Å; F362-L568 HydrophobicContact CZ-CD1 3.19Å; I366-L568 HydrophobicContact CD1-CD1 3.84Å; I366-L568 HydrophobicContact CD1-CD2 3.95Å; I366-L568 HydrophobicContact CG1-CD2 4.31Å; G566-L568 PolarHBondContact O-N 2.89Å; L568-R570 HydrophobicContact CB-CG 4.21Å; L568-R570 HydrophobicContact CD2-CG 4.27Å; L568-R570 HydrophobicContact CG-CG 4.29Å; L568-R570 PolarHBondContact O-N 2.92Å; L568-Y573 HydrophobicContact CD1-CD2 3.53Å; L568-Y573 HydrophobicContact CD1-CE2 4.25Å; L568-Y573 HydrophobicContact CD1-CG 4.33Å; L568-Y573 HydrophobicContact CG-CD2 4.15Å
569	W	88	Confident	67.6	Low	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.			trans	-71.7	71.2	169.5	-165.4	6.8	0	0	0	111.2	L474 L477 D478 H481 E495 L498 V499 A502 T571 V572 Y573	L474-W569 HydrophobicContact CD1-CZ3 4.47Å; L477-W569 VanDerWaalsContact C-CZ3 3.47Å; L477-W569 HydrophobicContact CB-CH2 3.89Å; L477-W569 HydrophobicContact CB-CZ3 3.73Å; D478-W569 HydrophobicContact CB-CE3 3.96Å; D478-W569 HydrophobicContact CB-CZ3 4.31Å; H481-W569 HydrophobicContact CB-CD2 3.86Å; H481-W569 HydrophobicContact CB-CE3 4.05Å; H481-W569 HydrophobicContact CB-CG 4.42Å; H481-W569 HydrophobicContact CB-CH2 4.15Å; H481-W569 HydrophobicContact CB-CZ2 3.94Å; H481-W569 HydrophobicContact CB-CZ3 4.2Å; H481-W569 AromaticContact CD2-CD1 3.57Å; H481-W569 AromaticContact CD2-CE2 3.85Å; H481-W569 AromaticContact CD2-NE1 3.43Å; H481-W569 PolarHBondContact CD2-NE1 2.97Å; H481-W569 AromaticContact CE1-CD1 3.39Å; H481-W569 AromaticContact CE1-CG 3.51Å; H481-W569 AromaticContact CG-CD1 3.7Å; H481-W569 AromaticContact CG-CD2 3.64Å; H481-W569 AromaticContact CG-CE2 3.63Å; H481-W569 AromaticContact CG-CG 3.7Å; H481-W569 AromaticContact CG-NE1 3.65Å; H481-W569 AromaticContact ND1-CD1 3.6Å; H481-W569 AromaticContact ND1-CD2 3.7Å; H481-W569 AromaticContact ND1-CG 3.35Å; H481-W569 AromaticContact NE2-CD1 3.38Å; H481-W569 AromaticContact NE2-CG 3.94Å; H481-W569 AromaticContact NE2-NE1 3.72Å; E495-W569 PolarHBondContact OE1-NE1 2.88Å; L498-W569 HydrophobicContact CB-CH2 3.9Å; L498-W569 HydrophobicContact CB-CZ2 3.65Å; V499-W569 HydrophobicContact CG2-CZ2 3.99Å; A502-W569 HydrophobicContact CB-CH2 4.32Å; W569-T571 VanDerWaalsContact C-N 3.26Å; W569-T571 PolarHBondContact O-N 2.97Å; W569-V572 HydrophobicContact CD2-CB 4.08Å; W569-V572 HydrophobicContact CD2-CG2 3.56Å; W569-V572 HydrophobicContact CE3-CB 4.42Å; W569-V572 HydrophobicContact CE3-CG2 3.97Å; W569-V572 HydrophobicContact CG-CB 4.23Å; W569-V572 HydrophobicContact CG-CG2 4.07Å; W569-V572 HydrophobicContact CH2-CG2 4.02Å; W569-V572 HydrophobicContact CZ2-CG2 3.63Å; W569-V572 HydrophobicContact CZ3-CG2 4.17Å; W569-V572 PolarHBondContact O-N 3.46Å; W569-V572 VanDerWaalsContact O-N 3.14Å; W569-Y573 HydrophobicContact CB-CD2 3.9Å; W569-Y573 HydrophobicContact CB-CE2 3.79Å; W569-Y573 WeakPolarHBondContact O-CD2 3.44Å; W569-Y573 PolarHBondContact O-N 2.85Å
570	R	84.6	Confident	66.2	Low	119 Å²	119	46.2 Å²	46.2	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-57.4	-38.1	-172.2	-71.6	176.1	179.9	-95.6	-0.5	111.9	L568 V572 Y573 C574	L568-R570 HydrophobicContact CB-CG 4.21Å; L568-R570 HydrophobicContact CD2-CG 4.27Å; L568-R570 HydrophobicContact CG-CG 4.29Å; L568-R570 PolarHBondContact O-N 2.92Å; R570-V572 PolarHBondContact O-N 3.42Å; R570-V572 VanDerWaalsContact O-N 3.16Å; R570-Y573 PolarHBondContact O-N 3.39Å; R570-C574 HydrophobicContact CB-CB 4.41Å; R570-C574 CarbonylContact O-C 3.51Å; R570-C574 WeakPolarHBondContact O-CA 3.22Å; R570-C574 PolarHBondContact O-N 3.5Å; R570-C574 VanDerWaalsContact O-O 3.04Å
571	T	85.8	Confident	64.7	Low	21 Å²	21	48.3 Å²	48.3	13%	0.129	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-29.8	-179.2	-38	0	0	0	0	113.4	E495 V499 W569 V817	E495-T571 VanDerWaalsContact OE1-CB 3.26Å; E495-T571 WeakPolarHBondContact OE1-CB 3.33Å; E495-T571 PolarHBondContact OE1-OG1 3.32Å; V499-T571 HydrophobicContact CG1-CG2 4.35Å; V499-T571 HydrophobicContact CG2-CG2 3.79Å; W569-T571 VanDerWaalsContact C-N 3.26Å; W569-T571 PolarHBondContact O-N 2.97Å; T571-V817 HydrophobicContact CG2-CG1 3.58Å
572	V	88.4	Confident	62.9	Low	5 Å²	5	47.4 Å²	47.4	3%	0.03	25%	0.249	C	C	.	.	H	α-helix	trans	-90.8	-50.6	174.3	175.9	0	0	0	0	111.4	R113 L474 V499 A502 W569 R570	R113-V572 WeakPolarHBondContact CG-O 3.31Å; L474-V572 HydrophobicContact CD1-CG1 4.37Å; V499-V572 HydrophobicContact CB-CG2 4.34Å; V499-V572 HydrophobicContact CG1-CG2 4.15Å; V499-V572 HydrophobicContact CG2-CG2 3.95Å; A502-V572 HydrophobicContact CB-CG2 4.4Å; W569-V572 HydrophobicContact CD2-CB 4.08Å; W569-V572 HydrophobicContact CD2-CG2 3.56Å; W569-V572 HydrophobicContact CE3-CB 4.42Å; W569-V572 HydrophobicContact CE3-CG2 3.97Å; W569-V572 HydrophobicContact CG-CB 4.23Å; W569-V572 HydrophobicContact CG-CG2 4.07Å; W569-V572 HydrophobicContact CH2-CG2 4.02Å; W569-V572 HydrophobicContact CZ2-CG2 3.63Å; W569-V572 HydrophobicContact CZ3-CG2 4.17Å; W569-V572 PolarHBondContact O-N 3.46Å; W569-V572 VanDerWaalsContact O-N 3.14Å; R570-V572 PolarHBondContact O-N 3.42Å; R570-V572 VanDerWaalsContact O-N 3.16Å
573	Y	86.9	Confident	61.2	Low	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-84.4	-29.3	-169.8	-59	-47.6	0	0	0	113.9	F359 F362 F367 L474 D478 L568 W569 R570	F359-Y573 AromaticContact CE2-CE1 3.71Å; F359-Y573 HydrophobicContact CE2-CE1 3.71Å; F359-Y573 AromaticContact CZ-CE1 3.93Å; F359-Y573 HydrophobicContact CZ-CE1 3.93Å; F362-Y573 AromaticContact CE1-CD1 3.98Å; F362-Y573 HydrophobicContact CE1-CD1 3.98Å; F362-Y573 AromaticContact CE1-CD2 3.81Å; F362-Y573 HydrophobicContact CE1-CD2 3.81Å; F362-Y573 HydrophobicContact CE1-CE1 4Å; F362-Y573 AromaticContact CE1-CE2 3.8Å; F362-Y573 HydrophobicContact CE1-CE2 3.8Å; F362-Y573 AromaticContact CE1-CG 3.89Å; F362-Y573 HydrophobicContact CE1-CG 3.89Å; F362-Y573 AromaticContact CE1-CZ 3.91Å; F362-Y573 AromaticContact CZ-CD2 3.67Å; F362-Y573 HydrophobicContact CZ-CD2 3.67Å; F362-Y573 AromaticContact CZ-CE2 3.72Å; F362-Y573 HydrophobicContact CZ-CE2 3.72Å; F362-Y573 HydrophobicContact CZ-CG 4.15Å; F367-Y573 WeakPolarHBondContact CZ-O 3.39Å; L474-Y573 HydrophobicContact CD2-CE1 4.19Å; D478-Y573 PolarHBondContact OD2-OH 3.39Å; D478-Y573 VanDerWaalsContact OD2-OH 3.12Å; L568-Y573 HydrophobicContact CD1-CD2 3.53Å; L568-Y573 HydrophobicContact CD1-CE2 4.25Å; L568-Y573 HydrophobicContact CD1-CG 4.33Å; L568-Y573 HydrophobicContact CG-CD2 4.15Å; W569-Y573 HydrophobicContact CB-CD2 3.9Å; W569-Y573 HydrophobicContact CB-CE2 3.79Å; W569-Y573 WeakPolarHBondContact O-CD2 3.44Å; W569-Y573 PolarHBondContact O-N 2.85Å; R570-Y573 PolarHBondContact O-N 3.39Å
574	C	76.2	Confident	59.2	Low	7 Å²	7	46 Å²	46	5%	0.047	25%	0.252	C	S	.	.			trans	-133.7	56.5	-178.8	-58.7	0	0	0	0	110	I366 R570 L576 D577	I366-C574 WeakPolarHBondContact CG2-SG 3.45Å; R570-C574 HydrophobicContact CB-CB 4.41Å; R570-C574 CarbonylContact O-C 3.51Å; R570-C574 WeakPolarHBondContact O-CA 3.22Å; R570-C574 PolarHBondContact O-N 3.5Å; R570-C574 VanDerWaalsContact O-O 3.04Å; C574-L576 PolarHBondContact O-N 2.72Å; C574-D577 HydrophobicContact CB-CB 3.92Å; C574-D577 PolarHBondContact O-N 2.95Å
575	P	61.2	Low	57.2	Low	40 Å²	40	53.3 Å²	53.3	26%	0.26	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-60.9	-20.2	-173.1	25.7	-35.6	0	0	0	112.8	R113 D577	R113-P575 HydrophobicContact CG-CG 4.27Å; P575-D577 VanDerWaalsContact C-N 3.34Å
576	L	54.9	Low	55.3	Low	33 Å²	33	57.5 Å²	57.5	17%	0.173	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-83.1	-9.4	177.4	-63.5	171.1	0	0	0	113.4	Y87 C574 W582 I790 V791	Y87-L576 HydrophobicContact CD1-CD1 4.38Å; Y87-L576 HydrophobicContact CE1-CD1 3.87Å; C574-L576 PolarHBondContact O-N 2.72Å; L576-W582 WeakPolarHBondContact O-CZ2 3.46Å; L576-I790 HydrophobicContact CD1-CG2 4.28Å; L576-V791 VanDerWaalsContact CA-CG2 3.45Å; L576-V791 HydrophobicContact CB-CG2 3.88Å; L576-V791 HydrophobicContact CD2-CB 4.34Å; L576-V791 HydrophobicContact CD2-CG2 3.62Å; L576-V791 HydrophobicContact CG-CG2 4.37Å; L576-V791 WeakPolarHBondContact O-CG2 3.45Å; L576-V791 PolarHBondContact O-N 3.2Å
577	D	46.6	Very low	53.6	Low	30 Å²	30	61.3 Å²	61.3	16%	0.16	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-108.4	22	-176.1	-64.3	-32.8	0	0	0	113.6	C574 P575 P579 W582 D789	C574-D577 HydrophobicContact CB-CB 3.92Å; C574-D577 PolarHBondContact O-N 2.95Å; P575-D577 VanDerWaalsContact C-N 3.34Å; D577-P579 VanDerWaalsContact O-CD 3.28Å; D577-P579 WeakPolarHBondContact O-CD 3.07Å; D577-W582 VanDerWaalsContact CA-CZ2 3.44Å; D577-W582 HydrophobicContact CB-CH2 4.18Å; D577-W582 WeakPolarHBondContact O-CH2 3.3Å; D577-D789 VanDerWaalsContact OD1-CB 3.3Å; D577-D789 WeakPolarHBondContact OD1-CB 3.42Å
578	D	39.2	Very low	51.5	Low	21 Å²	21	67.8 Å²	67.8	11%	0.112	35%	0.352	C	S	.	.			trans	-85.3	114.7	-179.9	-173.9	3.3	0	0	0	113.6	S580 N581 W582	D578-S580 VanDerWaalsContact CG-OG 3.29Å; D578-S580 PolarHBondContact O-N 2.81Å; D578-S580 VanDerWaalsContact OD1-CB 3.25Å; D578-S580 WeakPolarHBondContact OD1-CB 3.36Å; D578-S580 PolarHBondContact OD1-N 3.42Å; D578-S580 PolarHBondContact OD1-OG 3.11Å; D578-S580 WeakPolarHBondContact OD2-CB 3.28Å; D578-S580 PolarHBondContact OD2-OG 2.85Å; D578-N581 WeakPolarHBondContact O-CB 3.44Å; D578-N581 PolarHBondContact O-N 3.31Å; D578-N581 VanDerWaalsContact O-N 3.09Å; D578-W582 WeakPolarHBondContact O-CZ2 3.46Å; D578-W582 PolarHBondContact O-NE1 3.1Å
579	P	29.9	Very low	49.2	Very low	66 Å²	66	72.1 Å²	72.1	43%	0.429	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-62.5	-17.5	173.7	-12	26.4	0	0	0	116.3	D577 N581 W582 K583	D577-P579 VanDerWaalsContact O-CD 3.28Å; D577-P579 WeakPolarHBondContact O-CD 3.07Å; P579-N581 PolarHBondContact O-N 2.89Å; P579-W582 VanDerWaalsContact CA-CD2 3.42Å; P579-W582 HydrophobicContact CB-CD2 4.31Å; P579-W582 HydrophobicContact CB-CE3 3.55Å; P579-W582 HydrophobicContact CB-CZ3 3.87Å; P579-W582 HydrophobicContact CG-CE3 3.84Å; P579-W582 HydrophobicContact CG-CH2 4.44Å; P579-W582 HydrophobicContact CG-CZ3 3.58Å; P579-W582 WeakPolarHBondContact O-CA 3.16Å; P579-W582 WeakPolarHBondContact O-CB 3.37Å; P579-W582 PolarHBondContact O-N 3.43Å; P579-K583 PolarHBondContact O-N 3.3Å
580	S	34.8	Very low	46.4	Very low	43 Å²	43	76.1 Å²	76.1	30%	0.301	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-57	-27.9	169.9	-48	0	0	0	0	112	D578 W582	D578-S580 VanDerWaalsContact CG-OG 3.29Å; D578-S580 PolarHBondContact O-N 2.81Å; D578-S580 VanDerWaalsContact OD1-CB 3.25Å; D578-S580 WeakPolarHBondContact OD1-CB 3.36Å; D578-S580 PolarHBondContact OD1-N 3.42Å; D578-S580 PolarHBondContact OD1-OG 3.11Å; D578-S580 WeakPolarHBondContact OD2-CB 3.28Å; D578-S580 PolarHBondContact OD2-OG 2.85Å; S580-W582 VanDerWaalsContact C-N 3.27Å; S580-W582 PolarHBondContact O-N 3Å
581	N	34.4	Very low	43.6	Very low	64 Å²	64	80 Å²	80	34%	0.342	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-81.1	-3.8	174.2	-68.5	-35.3	0	0	0	113	D578 P579	D578-N581 WeakPolarHBondContact O-CB 3.44Å; D578-N581 PolarHBondContact O-N 3.31Å; D578-N581 VanDerWaalsContact O-N 3.09Å; P579-N581 PolarHBondContact O-N 2.89Å
582	W	29.9	Very low	40.8	Very low	108 Å²	108	83.9 Å²	83.9	41%	0.409	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-1.3	-163.4	-46.6	-30.3	0	0	0	116.3	L576 D577 D578 P579 S580 A584	L576-W582 WeakPolarHBondContact O-CZ2 3.46Å; D577-W582 VanDerWaalsContact CA-CZ2 3.44Å; D577-W582 HydrophobicContact CB-CH2 4.18Å; D577-W582 WeakPolarHBondContact O-CH2 3.3Å; D578-W582 WeakPolarHBondContact O-CZ2 3.46Å; D578-W582 PolarHBondContact O-NE1 3.1Å; P579-W582 VanDerWaalsContact CA-CD2 3.42Å; P579-W582 HydrophobicContact CB-CD2 4.31Å; P579-W582 HydrophobicContact CB-CE3 3.55Å; P579-W582 HydrophobicContact CB-CZ3 3.87Å; P579-W582 HydrophobicContact CG-CE3 3.84Å; P579-W582 HydrophobicContact CG-CH2 4.44Å; P579-W582 HydrophobicContact CG-CZ3 3.58Å; P579-W582 WeakPolarHBondContact O-CA 3.16Å; P579-W582 WeakPolarHBondContact O-CB 3.37Å; P579-W582 PolarHBondContact O-N 3.43Å; S580-W582 VanDerWaalsContact C-N 3.27Å; S580-W582 PolarHBondContact O-N 3Å; W582-A584 VanDerWaalsContact C-N 3.33Å; W582-A584 PolarHBondContact O-N 2.9Å
583	K	26.1	Very low	37.9	Very low	182 Å²	182	90.8 Å²	90.8	79%	0.791	50%	0.502	S	S	*	.			trans	-67.7	90	-178	-76.1	-169.2	179.2	179.8	0	112.2	P579	P579-K583 PolarHBondContact O-N 3.3Å
584	A	27.4	Very low	35.2	Very low	43 Å²	43	96.4 Å²	96.4	36%	0.355	53%	0.533	S	S	.	.			trans	-125.7	67.8	162.5	0	0	0	0	0	109	W582 S586	W582-A584 VanDerWaalsContact C-N 3.33Å; W582-A584 PolarHBondContact O-N 2.9Å; A584-S586 PolarHBondContact O-N 3.41Å
585	E	25.9	Very low	33	Very low	207 Å²	207	105.9 Å²	105.9	97%	0.967	57%	0.567	S	S	*	*			trans	-79.8	81.9	155.8	-88.6	-175.6	150.5	0	0	108.1
586	S	28.3	Very low	31.5	Very low	95 Å²	95	112.5 Å²	112.5	66%	0.664	60%	0.6	S	S	*	*			trans	-168.3	143.6	151.5	-168.6	0	0	0	0	107.4	A584	A584-S586 PolarHBondContact O-N 3.41Å
587	L	27.9	Very low	30.3	Very low	130 Å²	130	116 Å²	116	68%	0.681	63%	0.633	S	S	*	*			trans	97.6	32.5	171.3	-46.9	172.5	0	0	0	118.4	S589	L587-S589 PolarHBondContact O-N 3.44Å
588	L	26.5	Very low	29.4	Very low	190 Å²	190	117.6 Å²	117.6	100%	0.995	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	14.5	156.6	-96.8	167.5	0	0	0	113.9
589	S	29.6	Very low	28.8	Very low	110 Å²	110	124.3 Å²	124.3	77%	0.769	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	7.6	-178	48.6	0	0	0	0	115.6	L587	L587-S589 PolarHBondContact O-N 3.44Å
590	S	29.2	Very low	28.7	Very low	83 Å²	83	127.2 Å²	127.2	58%	0.58	71%	0.71	S	S	*	*			trans	-140.3	69.8	177.5	71.2	0	0	0	0	113.4
591	M	26.3	Very low	28.2	Very low	200 Å²	200	130.6 Å²	130.6	99%	0.985	73%	0.733	S	S	*	*			trans	-127.5	68.5	156.7	-68.6	-164.2	79.3	0	0	109.1
592	S	27.2	Very low	27.9	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	76%	0.758	S	S	*	*			trans	-112.1	140.8	154.9	51.5	0	0	0	0	108.2
593	D	28.6	Very low	27.7	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	78%	0.777	S	S	*	*			trans	93.4	94	167.2	-74.3	-12.8	0	0	0	121
594	D	29.4	Very low	27.9	Very low	120 Å²	120	138.4 Å²	138.4	64%	0.642	78%	0.781	S	S	*	*				80.3	131.4	99.7	-131.1	16.5	0	0	0	120
595	R	30.2	Very low	27.9	Very low	205 Å²	205	141 Å²	141	77%	0.774	80%	0.803	S	S	*	*			trans	78	91.6	155.7	-52	-179.5	-171.1	-169.8	0.1	118.8
596	L	29.9	Very low	27.9	Very low	179 Å²	179	139.6 Å²	139.6	94%	0.937	80%	0.796	S	S	*	*			trans	-156.4	69.9	133.1	-99.9	141.5	0	0	0	109.4	G598	L596-G598 VanDerWaalsContact C-N 3.32Å; L596-G598 PolarHBondContact O-N 2.77Å; L596-G598 VanDerWaalsContact O-N 3.15Å
597	A	28.4	Very low	27.8	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	80%	0.8	S	S	*	*			trans	-80	81.4	166.9	0	0	0	0	0	109.2
598	G	28.1	Very low	27.9	Very low	65 Å²	65	140 Å²	140	67%	0.67	81%	0.808	S	S	*	*			trans	-103	98.3	169.6	0	0	0	0	0	109.7	L596 T600	L596-G598 VanDerWaalsContact C-N 3.32Å; L596-G598 PolarHBondContact O-N 2.77Å; L596-G598 VanDerWaalsContact O-N 3.15Å; G598-T600 PolarHBondContact O-N 2.94Å
599	N	26.4	Very low	27.9	Very low	162 Å²	162	137.8 Å²	137.8	87%	0.866	80%	0.797	S	S	*	*			trans	-51.4	112.5	177.6	-74.8	-32.5	0	0	0	113
600	T	27.7	Very low	27.8	Very low	126 Å²	126	137.6 Å²	137.6	77%	0.773	80%	0.796	S	S	*	*			trans	-132.5	98.8	149	52.3	0	0	0	0	109.1	G598 L602	G598-T600 PolarHBondContact O-N 2.94Å; T600-L602 PolarHBondContact O-N 3.31Å
601	S	25.6	Very low	27.7	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	81%	0.81	S	S	*	*			trans	-44.7	109.1	169.7	-179.8	0	0	0	0	111.4
602	L	27.7	Very low	27.9	Very low	164 Å²	164	139.2 Å²	139.2	86%	0.859	81%	0.807	S	S	*	*			trans	-114.4	114.9	160.2	-82.8	168	0	0	0	107.6	T600 R604	T600-L602 PolarHBondContact O-N 3.31Å; L602-R604 PolarHBondContact O-N 2.75Å
603	C	25.2	Very low	27.9	Very low	120 Å²	120	140.3 Å²	140.3	81%	0.811	82%	0.815	S	S	*	*			trans	-47.3	118	-174.2	-60.9	0	0	0	0	112	A605	C603-A605 PolarHBondContact O-N 3.35Å
604	R	29.5	Very low	28	Very low	234 Å²	234	137.6 Å²	137.6	88%	0.883	81%	0.813	S	S	*	*			trans	-71.3	113.8	175.2	-143.2	172.4	-177.8	147.9	-2.1	108.1	L602 H606	L602-R604 PolarHBondContact O-N 2.75Å; R604-H606 PolarHBondContact O-N 2.99Å
605	A	29.1	Very low	28.3	Very low	97 Å²	97	137.8 Å²	137.8	80%	0.802	82%	0.821	S	S	*	*			trans	-67.1	117.6	170	0	0	0	0	0	109	C603 S607	C603-A605 PolarHBondContact O-N 3.35Å; A605-S607 PolarHBondContact O-N 3.13Å
606	H	26	Very low	28.6	Very low	178 Å²	178	133.7 Å²	133.7	82%	0.824	82%	0.82	S	S	*	*			trans	-68.2	117.5	169.9	-76.3	-94.9	0	0	0	109.7	R604	R604-H606 PolarHBondContact O-N 2.99Å
607	S	25.9	Very low	28.7	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	82%	0.818	S	S	*	*			trans	-165.3	126.5	155.5	-177.6	0	0	0	0	109.6	A605	A605-S607 PolarHBondContact O-N 3.13Å
608	C	29.1	Very low	28.7	Very low	125 Å²	125	131.6 Å²	131.6	85%	0.845	82%	0.815	S	S	*	*			trans	83.2	64.8	172.7	-54.6	0	0	0	0	116.5
609	D	27.4	Very low	28.8	Very low	144 Å²	144	133 Å²	133	77%	0.77	82%	0.82	S	S	*	*			trans	-60.4	152.7	151.6	-80.7	-47.1	0	0	0	112.8
610	S	27.5	Very low	28.8	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	82%	0.819	S	S	*	*			trans	78.4	81.5	147.2	-59.4	0	0	0	0	119.7
611	L	26.9	Very low	29.5	Very low	168 Å²	168	131.2 Å²	131.2	88%	0.88	82%	0.817	S	S	*	*			trans	-140.4	101.2	138.7	-73.8	177.1	0	0	0	108.8
612	T	30.6	Very low	29.6	Very low	149 Å²	149	134.8 Å²	134.8	91%	0.914	82%	0.821	S	S	*	*			trans	165.5	82	142.6	37.4	0	0	0	0	109.4
613	S	27	Very low	29.5	Very low	127 Å²	127	137.8 Å²	137.8	89%	0.888	82%	0.823	S	S	*	*			trans	-93.8	104.9	161.7	37.8	0	0	0	0	108.9
614	A	31	Very low	29.7	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	82%	0.82	S	S	*	*			trans	-150.4	138.8	152.2	0	0	0	0	0	109.7
615	P	34.3	Very low	29.4	Very low	123 Å²	123	131.5 Å²	131.5	80%	0.799	82%	0.816	S	S	*	*			trans	-94.7	173.4	-153.2	0.1	22.9	0	0	0	113.6
616	P	38.2	Very low	29.3	Very low	119 Å²	119	135.1 Å²	135.1	77%	0.773	82%	0.819	S	S	*	*			trans	-84.8	131.2	-161.3	33.8	-32.3	0	0	0	112.5
617	A	31.2	Very low	29.5	Very low	106 Å²	106	132 Å²	132	88%	0.876	81%	0.814	S	S	*	*			trans	-89.1	108.9	164.9	0	0	0	0	0	109.3
618	V	28.3	Very low	29.4	Very low	136 Å²	136	138.7 Å²	138.7	82%	0.824	82%	0.822	S	S	*	*			trans	-80.9	121.6	165.6	172.2	0	0	0	0	108
619	A	29.8	Very low	29.4	Very low	94 Å²	94	145.1 Å²	145.1	78%	0.777	83%	0.829	S	S	*	*			trans	-166.8	137.2	144.5	0	0	0	0	0	111.1
620	T	26.6	Very low	29.3	Very low	137 Å²	137	141.6 Å²	141.6	84%	0.84	83%	0.826	S	S	*	*			trans	-72.8	173.8	-170.2	31.7	0	0	0	0	115.6
621	P	43.1	Very low	29.3	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	83%	0.828	S	S	*	*			trans	-98.4	146.4	-153.7	37.2	-30.6	0	0	0	113.3
622	E	27.8	Very low	29.2	Very low	190 Å²	190	141.7 Å²	141.7	89%	0.888	83%	0.828	S	S	*	*			trans	-136.6	121.9	159.5	-76.3	-169.5	160	0	0	112.1
623	Y	25.4	Very low	29.1	Very low	227 Å²	227	140.5 Å²	140.5	89%	0.89	83%	0.826	S	S	*	*			trans	-12	118.6	158	-71.8	-96.4	0	0	0	117.3
624	A	28.7	Very low	29.2	Very low	90 Å²	90	139.1 Å²	139.1	74%	0.744	82%	0.817	S	S	*	*			trans	-142.8	104.8	148	0	0	0	0	0	109.4	M626	A624-M626 PolarHBondContact O-N 3.08Å
625	T	24.1	Very low	29.1	Very low	132 Å²	132	142 Å²	142	81%	0.81	82%	0.818	S	S	*	*			trans	-57.1	122.5	171.5	42.7	0	0	0	0	111.2
626	M	26.9	Very low	28.8	Very low	173 Å²	173	143 Å²	143	85%	0.852	82%	0.816	S	S	*	*			trans	-119.4	138	166	-82.1	-71.6	144.8	0	0	110.2	A624	A624-M626 PolarHBondContact O-N 3.08Å
627	P	28.8	Very low	28.3	Very low	111 Å²	111	145.2 Å²	145.2	72%	0.721	82%	0.82	S	S	*	*			trans	-91.2	129.3	-160.9	33.8	-29.4	0	0	0	113.4	R629	P627-R629 PolarHBondContact O-N 3.17Å
628	R	25.6	Very low	28.1	Very low	249 Å²	249	148.6 Å²	148.6	94%	0.94	82%	0.817	S	S	*	*			trans	11.6	100	146.7	-60.6	-178	-175.5	-174.7	0.3	116.5
629	R	27.4	Very low	27.9	Very low	261 Å²	261	149.6 Å²	149.6	99%	0.985	82%	0.818	S	S	*	*			trans	-92.1	109.2	144.1	-77.3	-175.1	-176.6	-166.3	0.4	107.1	P627	P627-R629 PolarHBondContact O-N 3.17Å
630	G	25.1	Very low	27.5	Very low	69 Å²	69	149.2 Å²	149.2	71%	0.711	82%	0.815	S	S	*	*			trans	-134.9	112.5	175.3	0	0	0	0	0	108.6
631	S	28.6	Very low	27.5	Very low	112 Å²	112	151.9 Å²	151.9	78%	0.783	82%	0.815	S	S	*	*			trans	-177.3	70.5	151.1	55.6	0	0	0	0	108.3
632	D	25.1	Very low	26.5	Very low	165 Å²	165	151.9 Å²	151.9	88%	0.882	82%	0.817	S	S	*	*			trans	-100	99.3	155.5	-97.3	-34.6	0	0	0	106.6	S634	D632-S634 VanDerWaalsContact C-N 3.33Å; D632-S634 PolarHBondContact O-N 3.1Å
633	S	29	Very low	26.4	Very low	125 Å²	125	149.2 Å²	149.2	87%	0.874	81%	0.814	S	S	*	*			trans	-86.7	82	173.1	-65.4	0	0	0	0	108.4
634	S	28.4	Very low	26.3	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	81%	0.813	S	S	*	*			trans	-80.9	139.1	152	57	0	0	0	0	107.6	D632	D632-S634 VanDerWaalsContact C-N 3.33Å; D632-S634 PolarHBondContact O-N 3.1Å
635	L	28.8	Very low	26.2	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	82%	0.816	S	S	*	*			trans	166.1	115.9	137.6	-85.7	164.7	0	0	0	111.7
636	L	28.1	Very low	26	Very low	146 Å²	146	149.7 Å²	149.7	76%	0.764	82%	0.818	S	S	*	*			trans	47.5	104.6	132.1	-60.1	175.7	0	0	0	119.2	H638	L636-H638 PolarHBondContact O-N 3.34Å
637	I	27.4	Very low	26.1	Very low	164 Å²	164	149.7 Å²	149.7	84%	0.841	82%	0.821	S	S	*	*			trans	-61.5	106.1	163.5	-59.1	167.8	0	0	0	108.9
638	H	26.8	Very low	25.9	Very low	178 Å²	178	154 Å²	154	82%	0.824	83%	0.829	S	S	*	*			trans	-85.8	120.4	166.2	-107	-78.3	0	0	0	109.8	L636 A640	L636-H638 PolarHBondContact O-N 3.34Å; H638-A640 PolarHBondContact O-N 3.32Å
639	N	23.6	Very low	25.9	Very low	157 Å²	157	148.2 Å²	148.2	84%	0.84	82%	0.823	S	S	*	*			trans	-65	117.3	170.6	-78.7	-25.1	0	0	0	111
640	A	23	Very low	25.9	Very low	86 Å²	86	144.1 Å²	144.1	71%	0.711	82%	0.819	S	S	*	*			trans	-158.5	142.3	164.8	0	0	0	0	0	105.8	H638	H638-A640 PolarHBondContact O-N 3.32Å
641	K	25	Very low	26	Very low	193 Å²	193	148.6 Å²	148.6	84%	0.839	83%	0.826	S	S	*	*			cis	-159.4	156.9	29.9	-70	173.4	175.9	171.1	0	109.3
642	S	23.8	Very low	26	Very low	113 Å²	113	146.7 Å²	146.7	79%	0.79	82%	0.824	S	S	*	*			trans	-112.1	130.4	146	53.3	0	0	0	0	107.8
643	T	25.3	Very low	26.3	Very low	133 Å²	133	145.2 Å²	145.2	82%	0.816	82%	0.816	S	S	*	*			trans	-169.1	120.3	159	9.1	0	0	0	0	109.6
644	E	23.4	Very low	26.4	Very low	187 Å²	187	144 Å²	144	87%	0.874	81%	0.807	S	S	*	*			trans	-81.2	144.1	170.2	-64.9	169.6	139.1	0	0	110.2
645	S	25.9	Very low	26.8	Very low	116 Å²	116	146.3 Å²	146.3	81%	0.811	81%	0.806	S	S	*	*				167.2	130.4	122.6	48	0	0	0	0	113.9
646	N	21.1	Very low	27.4	Very low	157 Å²	157	143.7 Å²	143.7	84%	0.84	80%	0.797	S	S	*	*			trans	-1.8	129.5	159.3	-68.1	-29.7	0	0	0	121
647	N	27.2	Very low	28.3	Very low	173 Å²	173	140.4 Å²	140.4	93%	0.925	79%	0.786	S	S	*	*			trans	-144.5	132.5	144.5	-91.2	-33.1	0	0	0	111.6
648	K	24.6	Very low	29.1	Very low	202 Å²	202	141.1 Å²	141.1	88%	0.878	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-78.9	149.2	-177.7	-84.1	178	173.6	177.2	0	112
649	P	27.4	Very low	29.9	Very low	127 Å²	127	137.3 Å²	137.3	83%	0.825	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-92.5	146.3	-173.8	35.7	-31.9	0	0	0	113.5
650	I	26.7	Very low	31.1	Very low	174 Å²	174	133 Å²	133	89%	0.892	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-101.8	125.5	174.8	-64.2	173.8	0	0	0	108.3
651	L	26.3	Very low	32.4	Very low	163 Å²	163	130.9 Å²	130.9	85%	0.853	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-89	126.8	-176.2	-152.1	84.9	0	0	0	110.3
652	G	29	Very low	34	Very low	72 Å²	72	126.6 Å²	126.6	74%	0.742	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-101.6	138.2	172.8	0	0	0	0	0	112.2
653	N	30.7	Very low	35.4	Very low	135 Å²	135	126.9 Å²	126.9	72%	0.722	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-74.8	121.7	-164.2	-65	-24.5	0	0	0	114.5	E655	N653-E655 HydrophobicContact CB-CG 4.16Å
654	C	32.2	Very low	36.7	Very low	100 Å²	100	123.2 Å²	123.2	68%	0.676	67%	0.669	S	S	*	*			trans	-99.3	106.6	155.6	-169.5	0	0	0	0	107.3	T656	C654-T656 PolarHBondContact O-N 3.32Å
655	E	36	Very low	38.3	Very low	146 Å²	146	120.1 Å²	120.1	68%	0.682	65%	0.654	S	S	*	*			trans	-84	103.9	-171.5	-67.3	-176.3	165.6	0	0	110.4	N653	N653-E655 HydrophobicContact CB-CG 4.16Å
656	T	42.6	Very low	40.1	Very low	95 Å²	95	118.9 Å²	118.9	58%	0.583	64%	0.642	S	S	*	*			trans	98.7	129.6	166.1	82.4	0	0	0	0	117.9	C654 R658 D659	C654-T656 PolarHBondContact O-N 3.32Å; T656-R658 PolarHBondContact O-N 3.29Å; T656-D659 PolarHBondContact O-N 3.04Å
657	S	45.5	Very low	41.8	Very low	77 Å²	77	116 Å²	116	54%	0.538	63%	0.626	S	S	.	*	H	α-helix	trans	-57.7	-17.7	-177.2	179.6	0	0	0	0	115.2	E661	S657-E661 PolarHBondContact O-N 3.1Å
658	R	45	Very low	43.3	Very low	180 Å²	180	109.7 Å²	109.7	68%	0.679	59%	0.592	S	S	*	*	H	α-helix	trans	-73.5	-37.8	-179	-92.3	-179.6	172.3	162.8	-2.6	112.1	T656 V660 E661 D662	T656-R658 PolarHBondContact O-N 3.29Å; R658-V660 VanDerWaalsContact C-N 3.28Å; R658-V660 PolarHBondContact O-N 2.87Å; R658-E661 PolarHBondContact O-N 3.26Å; R658-D662 PolarHBondContact O-N 3.07Å
659	D	44.7	Very low	45	Very low	97 Å²	97	103.2 Å²	103.2	52%	0.519	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-33.5	-177.9	-65.4	-21.1	0	0	0	111.6	T656 M663	T656-D659 PolarHBondContact O-N 3.04Å; D659-M663 VanDerWaalsContact O-CB 3.28Å; D659-M663 WeakPolarHBondContact O-CB 3.49Å; D659-M663 PolarHBondContact O-N 3.36Å; D659-M663 VanDerWaalsContact O-N 3.09Å
660	V	47	Very low	46.5	Very low	67 Å²	67	105.6 Å²	105.6	41%	0.406	57%	0.565	S	S	.	*	H	α-helix	trans	-71.4	-41.7	174.8	-176.9	0	0	0	0	111.5	R658 M664	R658-V660 VanDerWaalsContact C-N 3.28Å; R658-V660 PolarHBondContact O-N 2.87Å; V660-M664 WeakPolarHBondContact O-CB 3.31Å; V660-M664 WeakPolarHBondContact O-CG 3.47Å; V660-M664 PolarHBondContact O-N 2.8Å
661	E	50.3	Low	47.8	Very low	42 Å²	42	102.2 Å²	102.2	20%	0.196	55%	0.548	C	S	.	.	H	α-helix	trans	-63.8	-46.4	176	-82.6	179.8	154	0	0	111.6	S657 R658 M663 M664 H665 I857	S657-E661 PolarHBondContact O-N 3.1Å; R658-E661 PolarHBondContact O-N 3.26Å; E661-M663 PolarHBondContact O-N 3.43Å; E661-M664 PolarHBondContact O-N 3.15Å; E661-H665 PolarHBondContact O-CD2 2.82Å; E661-H665 PolarHBondContact O-N 3.25Å; E661-I857 HydrophobicContact CG-CG2 4.43Å
662	D	58.2	Low	49.3	Very low	103 Å²	103	99.9 Å²	99.9	55%	0.551	53%	0.533	S	S	*	.	H	α-helix	trans	-64.7	-39.2	179.5	-84.1	-8.8	0	0	0	111.9	R658 H665 T666	R658-D662 PolarHBondContact O-N 3.07Å; D662-H665 PolarHBondContact O-N 3.48Å; D662-T666 WeakPolarHBondContact O-CB 3.49Å; D662-T666 PolarHBondContact O-N 3.36Å; D662-T666 PolarHBondContact O-OG1 3.02Å
663	M	54.9	Low	50.8	Low	118 Å²	118	99.6 Å²	99.6	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-41.3	174.9	-171.8	169.1	62.5	0	0	111.7	D659 E661 T666 L667	D659-M663 VanDerWaalsContact O-CB 3.28Å; D659-M663 WeakPolarHBondContact O-CB 3.49Å; D659-M663 PolarHBondContact O-N 3.36Å; D659-M663 VanDerWaalsContact O-N 3.09Å; E661-M663 PolarHBondContact O-N 3.43Å; M663-T666 PolarHBondContact O-N 2.86Å; M663-L667 HydrophobicContact CG-CD1 4.29Å; M663-L667 WeakPolarHBondContact O-CG 3.43Å; M663-L667 PolarHBondContact O-N 3.43Å
664	M	51.6	Low	52.2	Low	57 Å²	57	98.3 Å²	98.3	28%	0.281	51%	0.507	S	S	.	.	H	α-helix	trans	-65.5	-43.1	175.3	-82.3	-169.9	61.9	0	0	112.6	V660 E661 T666 L667 L668 I857	V660-M664 WeakPolarHBondContact O-CB 3.31Å; V660-M664 WeakPolarHBondContact O-CG 3.47Å; V660-M664 PolarHBondContact O-N 2.8Å; E661-M664 PolarHBondContact O-N 3.15Å; M664-T666 VanDerWaalsContact C-N 3.33Å; M664-T666 PolarHBondContact O-N 3.34Å; M664-L667 PolarHBondContact O-N 3.17Å; M664-L668 WeakPolarHBondContact O-CB 3.25Å; M664-L668 WeakPolarHBondContact O-CG 3.49Å; M664-L668 PolarHBondContact O-N 2.94Å; M664-I857 HydrophobicContact CE-CD1 3.45Å; M664-I857 VanDerWaalsContact CE-CD1 3.45Å; M664-I857 HydrophobicContact SD-CD1 3.38Å; M664-I857 WeakPolarHBondContact SD-CD1 3.4Å
665	H	57.3	Low	52.9	Low	121 Å²	121	101.1 Å²	101.1	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-63.7	-39.8	176.7	-82.6	-63	0	0	0	111.9	E661 D662 L668 S669	E661-H665 PolarHBondContact O-CD2 2.82Å; E661-H665 PolarHBondContact O-N 3.25Å; D662-H665 PolarHBondContact O-N 3.48Å; H665-L668 PolarHBondContact O-N 3.04Å; H665-S669 WeakPolarHBondContact O-CB 3.49Å; H665-S669 PolarHBondContact O-N 3.49Å
666	T	64.3	Low	53.5	Low	90 Å²	90	100.3 Å²	100.3	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-64.4	-41.8	176.5	-55.4	0	0	0	0	111.8	D662 M663 M664 R670	D662-T666 WeakPolarHBondContact O-CB 3.49Å; D662-T666 PolarHBondContact O-N 3.36Å; D662-T666 PolarHBondContact O-OG1 3.02Å; M663-T666 PolarHBondContact O-N 2.86Å; M664-T666 VanDerWaalsContact C-N 3.33Å; M664-T666 PolarHBondContact O-N 3.34Å; T666-R670 PolarHBondContact O-N 2.98Å; T666-R670 VanDerWaalsContact O-N 3.16Å
667	L	56.9	Low	53.9	Low	98 Å²	98	101.1 Å²	101.1	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-43.1	176.9	-80.9	163.7	0	0	0	112.4	M663 M664 R670 L671	M663-L667 HydrophobicContact CG-CD1 4.29Å; M663-L667 WeakPolarHBondContact O-CG 3.43Å; M663-L667 PolarHBondContact O-N 3.43Å; M664-L667 PolarHBondContact O-N 3.17Å; L667-R670 PolarHBondContact O-N 3.06Å; L667-L671 WeakPolarHBondContact O-CG 2.95Å; L667-L671 PolarHBondContact O-N 3.32Å
668	L	57.1	Low	53.8	Low	39 Å²	39	104.3 Å²	104.3	20%	0.204	51%	0.506	C	S	.	.	H	α-helix	trans	-65.3	-44.5	179	-76	168.8	0	0	0	112.2	M664 H665 R670 L671 E672	M664-L668 WeakPolarHBondContact O-CB 3.25Å; M664-L668 WeakPolarHBondContact O-CG 3.49Å; M664-L668 PolarHBondContact O-N 2.94Å; H665-L668 PolarHBondContact O-N 3.04Å; L668-R670 VanDerWaalsContact C-N 3.28Å; L668-R670 PolarHBondContact O-N 2.81Å; L668-L671 PolarHBondContact O-N 3.07Å; L668-E672 WeakPolarHBondContact O-CG 3Å; L668-E672 PolarHBondContact O-N 2.99Å
669	S	61.3	Low	53.6	Low	67 Å²	67	98.4 Å²	98.4	47%	0.469	49%	0.49	S	S	.	.	H	α-helix	trans	-61.4	-38.3	176.7	-178.6	0	0	0	0	111.6	H665 T673	H665-S669 WeakPolarHBondContact O-CB 3.49Å; H665-S669 PolarHBondContact O-N 3.49Å; S669-T673 WeakPolarHBondContact O-CB 3.44Å; S669-T673 PolarHBondContact O-N 3.29Å; S669-T673 PolarHBondContact O-OG1 3.48Å
670	R	58.6	Low	53.6	Low	176 Å²	176	97.6 Å²	97.6	66%	0.664	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-47.4	173.5	-102.6	-177	166.7	178.9	-3.6	112.9	T666 L667 L668 E672 T673 E674	T666-R670 PolarHBondContact O-N 2.98Å; T666-R670 VanDerWaalsContact O-N 3.16Å; L667-R670 PolarHBondContact O-N 3.06Å; L668-R670 VanDerWaalsContact C-N 3.28Å; L668-R670 PolarHBondContact O-N 2.81Å; R670-E672 VanDerWaalsContact C-N 3.33Å; R670-E672 PolarHBondContact O-N 2.96Å; R670-T673 PolarHBondContact O-N 3.25Å; R670-E674 WeakPolarHBondContact O-CG 3.43Å; R670-E674 PolarHBondContact O-N 3.24Å
671	L	53.4	Low	53.3	Low	104 Å²	104	100 Å²	100	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-38.6	179.4	-74	169	0	0	0	112.2	L667 L668 E674 Y675	L667-L671 WeakPolarHBondContact O-CG 2.95Å; L667-L671 PolarHBondContact O-N 3.32Å; L668-L671 PolarHBondContact O-N 3.07Å; L671-E674 PolarHBondContact O-N 3.35Å; L671-Y675 WeakPolarHBondContact O-CB 3.43Å; L671-Y675 PolarHBondContact O-N 3.35Å
672	E	58.4	Low	52.7	Low	114 Å²	114	101.3 Å²	101.3	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-42	174.2	-75.4	170.9	178.8	0	0	111.2	L668 R670 E674 Y675 E676	L668-E672 WeakPolarHBondContact O-CG 3Å; L668-E672 PolarHBondContact O-N 2.99Å; R670-E672 VanDerWaalsContact C-N 3.33Å; R670-E672 PolarHBondContact O-N 2.96Å; E672-E674 PolarHBondContact O-N 3.02Å; E672-Y675 PolarHBondContact O-N 2.78Å; E672-E676 WeakPolarHBondContact O-CB 3.05Å; E672-E676 WeakPolarHBondContact O-CG 3.2Å; E672-E676 PolarHBondContact O-N 3.2Å
673	T	60.8	Low	51.5	Low	66 Å²	66	104.4 Å²	104.4	41%	0.405	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-39.8	176.3	-44.4	0	0	0	0	111.7	S669 R670 Q677	S669-T673 WeakPolarHBondContact O-CB 3.44Å; S669-T673 PolarHBondContact O-N 3.29Å; S669-T673 PolarHBondContact O-OG1 3.48Å; R670-T673 PolarHBondContact O-N 3.25Å; T673-Q677 WeakPolarHBondContact O-CB 3.38Å; T673-Q677 VanDerWaalsContact O-CG 3.28Å; T673-Q677 WeakPolarHBondContact O-CG 3.24Å; T673-Q677 PolarHBondContact O-N 3.34Å
674	E	59.3	Low	50.5	Low	108 Å²	108	106.4 Å²	106.4	51%	0.505	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-38.4	175.8	-76.3	179.3	177.9	0	0	112	R670 L671 E672 Q677 M678	R670-E674 WeakPolarHBondContact O-CG 3.43Å; R670-E674 PolarHBondContact O-N 3.24Å; L671-E674 PolarHBondContact O-N 3.35Å; E672-E674 PolarHBondContact O-N 3.02Å; E674-Q677 PolarHBondContact O-N 2.76Å; E674-M678 WeakPolarHBondContact O-CG 3.34Å; E674-M678 PolarHBondContact O-N 2.83Å
675	Y	48.3	Very low	49.5	Very low	159 Å²	159	106.7 Å²	106.7	62%	0.624	55%	0.551	S	S	*	*	H	α-helix	trans	-66.7	-42.8	174.9	-176.3	-97.6	0	0	0	112.1	L671 E672 Q677 M678 T679	L671-Y675 WeakPolarHBondContact O-CB 3.43Å; L671-Y675 PolarHBondContact O-N 3.35Å; E672-Y675 PolarHBondContact O-N 2.78Å; Y675-Q677 VanDerWaalsContact C-N 3.35Å; Y675-M678 PolarHBondContact O-N 3.27Å; Y675-T679 HydrophobicContact CE1-CG2 4.1Å; Y675-T679 PolarHBondContact O-N 2.73Å; Y675-T679 PolarHBondContact O-OG1 2.91Å
676	E	48.5	Very low	48.1	Very low	129 Å²	129	106.1 Å²	106.1	60%	0.603	55%	0.551	S	S	*	*	H	α-helix	trans	-62.2	-42	172.3	-77.5	-173.1	169	0	0	111.3	E672 M678 T679 T680	E672-E676 WeakPolarHBondContact O-CB 3.05Å; E672-E676 WeakPolarHBondContact O-CG 3.2Å; E672-E676 PolarHBondContact O-N 3.2Å; E676-M678 PolarHBondContact O-N 3.2Å; E676-T679 WeakPolarHBondContact CA-OG1 3.27Å; E676-T679 PolarHBondContact O-N 3.42Å; E676-T679 PolarHBondContact O-OG1 3.4Å; E676-T680 WeakPolarHBondContact O-CG2 3.48Å; E676-T680 PolarHBondContact O-N 3.36Å; E676-T680 PolarHBondContact O-OG1 3.23Å
677	Q	49.5	Very low	46.5	Very low	112 Å²	112	109.3 Å²	109.3	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-63.2	-40.9	175	-78.2	179	5.7	0	0	112.7	T673 E674 Y675 T679 T680 N681	T673-Q677 WeakPolarHBondContact O-CB 3.38Å; T673-Q677 VanDerWaalsContact O-CG 3.28Å; T673-Q677 WeakPolarHBondContact O-CG 3.24Å; T673-Q677 PolarHBondContact O-N 3.34Å; E674-Q677 PolarHBondContact O-N 2.76Å; Y675-Q677 VanDerWaalsContact C-N 3.35Å; Q677-T679 VanDerWaalsContact C-N 3.33Å; Q677-T680 WeakPolarHBondContact CA-OG1 3.33Å; Q677-T680 PolarHBondContact O-OG1 2.9Å; Q677-N681 WeakPolarHBondContact O-CB 3.39Å; Q677-N681 VanDerWaalsContact O-CG 3.26Å; Q677-N681 PolarHBondContact O-N 3.37Å; Q677-N681 PolarHBondContact O-ND2 2.82Å
678	M	43.9	Very low	45.2	Very low	143 Å²	143	110 Å²	110	70%	0.704	58%	0.577	S	S	*	*	H	α-helix	trans	-63.5	-39.3	174.9	-78.3	-169.3	-179.2	0	0	111.9	E674 Y675 E676 S682	E674-M678 WeakPolarHBondContact O-CG 3.34Å; E674-M678 PolarHBondContact O-N 2.83Å; Y675-M678 PolarHBondContact O-N 3.27Å; E676-M678 PolarHBondContact O-N 3.2Å; M678-S682 PolarHBondContact O-N 3.21Å; M678-S682 VanDerWaalsContact O-N 3.11Å
679	T	42.1	Very low	43.9	Very low	57 Å²	57	113.4 Å²	113.4	35%	0.35	59%	0.594	S	S	.	*	H	α-helix	trans	-78.6	-30.8	179.4	47.3	0	0	0	0	113.3	Y675 E676 Q677 S682 K683	Y675-T679 HydrophobicContact CE1-CG2 4.1Å; Y675-T679 PolarHBondContact O-N 2.73Å; Y675-T679 PolarHBondContact O-OG1 2.91Å; E676-T679 WeakPolarHBondContact CA-OG1 3.27Å; E676-T679 PolarHBondContact O-N 3.42Å; E676-T679 PolarHBondContact O-OG1 3.4Å; Q677-T679 VanDerWaalsContact C-N 3.33Å; T679-S682 PolarHBondContact O-N 3.28Å; T679-S682 PolarHBondContact O-OG 3.14Å; T679-S682 VanDerWaalsContact O-OG 3.11Å; T679-K683 PolarHBondContact O-N 3.37Å
680	T	43.4	Very low	42.6	Very low	79 Å²	79	113.7 Å²	113.7	49%	0.485	60%	0.596	S	S	.	*	H	α-helix	trans	-74.4	-36.4	171.1	52.9	0	0	0	0	112.1	E676 Q677 S682 K683 L684	E676-T680 WeakPolarHBondContact O-CG2 3.48Å; E676-T680 PolarHBondContact O-N 3.36Å; E676-T680 PolarHBondContact O-OG1 3.23Å; Q677-T680 WeakPolarHBondContact CA-OG1 3.33Å; Q677-T680 PolarHBondContact O-OG1 2.9Å; T680-S682 PolarHBondContact O-N 3.49Å; T680-K683 WeakPolarHBondContact O-CB 3.2Å; T680-K683 PolarHBondContact O-N 3.26Å; T680-L684 PolarHBondContact O-N 3.09Å
681	N	41.2	Very low	41.7	Very low	119 Å²	119	113.4 Å²	113.4	64%	0.636	60%	0.602	S	S	*	*	H	α-helix	trans	-68.1	-24.1	173.5	-75.5	-18.7	0	0	0	111.9	Q677 K683	Q677-N681 WeakPolarHBondContact O-CB 3.39Å; Q677-N681 VanDerWaalsContact O-CG 3.26Å; Q677-N681 PolarHBondContact O-N 3.37Å; Q677-N681 PolarHBondContact O-ND2 2.82Å; N681-K683 VanDerWaalsContact C-N 3.28Å; N681-K683 PolarHBondContact O-N 2.78Å
682	S	37.7	Very low	41.1	Very low	69 Å²	69	114.3 Å²	114.3	48%	0.483	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	-15.3	169	99.3	0	0	0	0	113.4	M678 T679 T680 I686	M678-S682 PolarHBondContact O-N 3.21Å; M678-S682 VanDerWaalsContact O-N 3.11Å; T679-S682 PolarHBondContact O-N 3.28Å; T679-S682 PolarHBondContact O-OG 3.14Å; T679-S682 VanDerWaalsContact O-OG 3.11Å; T680-S682 PolarHBondContact O-N 3.49Å; S682-I686 WeakPolarHBondContact O-CG1 3.31Å
683	K	33.3	Very low	40.1	Very low	167 Å²	167	115 Å²	115	73%	0.726	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-14.2	175.5	-77.4	-172.6	176.8	179.3	0	114.2	T679 T680 N681 G685	T679-K683 PolarHBondContact O-N 3.37Å; T680-K683 WeakPolarHBondContact O-CB 3.2Å; T680-K683 PolarHBondContact O-N 3.26Å; N681-K683 VanDerWaalsContact C-N 3.28Å; N681-K683 PolarHBondContact O-N 2.78Å; K683-G685 VanDerWaalsContact C-N 3.3Å
684	L	32.9	Very low	38.8	Very low	161 Å²	161	116.4 Å²	116.4	84%	0.843	62%	0.619	S	S	*	*	S	Bend	trans	-89.2	9.3	176	-110.5	138	0	0	0	114.2	T680	T680-L684 PolarHBondContact O-N 3.09Å
685	G	30.7	Very low	37.7	Very low	62 Å²	62	116.9 Å²	116.9	64%	0.639	63%	0.625	S	S	*	*	S	Bend	trans	-126.9	3.8	175.3	0	0	0	0	0	115.6	K683 L687	K683-G685 VanDerWaalsContact C-N 3.3Å; G685-L687 VanDerWaalsContact C-N 3.25Å; G685-L687 PolarHBondContact O-N 2.97Å
686	I	28.9	Very low	37.1	Very low	110 Å²	110	112.2 Å²	112.2	56%	0.564	62%	0.619	S	S	*	*			trans	-85.7	75.4	177.8	-50.2	175.3	0	0	0	108.5	S682 S688	S682-I686 WeakPolarHBondContact O-CG1 3.31Å; I686-S688 PolarHBondContact O-N 3.14Å
687	L	30.4	Very low	36.3	Very low	157 Å²	157	114.4 Å²	114.4	82%	0.822	63%	0.626	S	S	*	*			trans	-56.9	117.8	140.9	-85.9	155.7	0	0	0	105.5	G685 I689	G685-L687 VanDerWaalsContact C-N 3.25Å; G685-L687 PolarHBondContact O-N 2.97Å; L687-I689 WeakPolarHBondContact O-CG1 3.45Å; L687-I689 PolarHBondContact O-N 3.45Å
688	S	29.4	Very low	35.4	Very low	113 Å²	113	118.4 Å²	118.4	79%	0.79	64%	0.637	S	S	*	*			trans	-39.4	98.9	-174.4	52.4	0	0	0	0	113	I686	I686-S688 PolarHBondContact O-N 3.14Å
689	I	30.8	Very low	34.9	Very low	109 Å²	109	115.3 Å²	115.3	56%	0.559	63%	0.633	S	S	*	*			trans	-77.6	119.6	170.4	-59	176	0	0	0	106	L687 E693	L687-I689 WeakPolarHBondContact O-CG1 3.45Å; L687-I689 PolarHBondContact O-N 3.45Å; I689-E693 HydrophobicContact CG2-CB 3.96Å; I689-E693 VanDerWaalsContact CG2-OE2 3.28Å; I689-E693 WeakPolarHBondContact CG2-OE2 3.5Å
690	S	32.4	Very low	34.3	Very low	74 Å²	74	121.7 Å²	121.7	52%	0.517	66%	0.657	S	S	.	*			trans	-62.9	148.6	179.2	65	0	0	0	0	110.5	D692 E693	S690-D692 PolarHBondContact O-N 3.14Å; S690-E693 PolarHBondContact O-N 3.2Å
691	E	40.4	Very low	33.5	Very low	169 Å²	169	123.5 Å²	123.5	79%	0.79	66%	0.66	S	S	*	*	H	α-helix	trans	-54.8	-16.5	-176.1	-70.8	-178.8	142.2	0	0	114.3	E693 V694	E691-E693 PolarHBondContact O-N 3.29Å; E691-V694 PolarHBondContact O-N 3.3Å
692	D	40.9	Very low	32.9	Very low	123 Å²	123	125.4 Å²	125.4	66%	0.658	67%	0.667	S	S	*	*	H	α-helix	trans	-66	-31.1	-179.6	-65.8	-34.7	0	0	0	113.7	S690 A696	S690-D692 PolarHBondContact O-N 3.14Å; D692-A696 PolarHBondContact O-N 2.9Å
693	E	37.7	Very low	32.3	Very low	129 Å²	129	131.3 Å²	131.3	60%	0.603	68%	0.678	S	S	*	*	H	α-helix	trans	-79.1	-27.6	-179.4	-82.6	-169.8	159.7	0	0	113.6	I689 S690 E691 L695 A696 K697	I689-E693 HydrophobicContact CG2-CB 3.96Å; I689-E693 VanDerWaalsContact CG2-OE2 3.28Å; I689-E693 WeakPolarHBondContact CG2-OE2 3.5Å; S690-E693 PolarHBondContact O-N 3.2Å; E691-E693 PolarHBondContact O-N 3.29Å; E693-L695 VanDerWaalsContact C-N 3.28Å; E693-L695 PolarHBondContact O-N 2.71Å; E693-A696 PolarHBondContact O-N 2.62Å; E693-K697 PolarHBondContact O-N 3.16Å
694	V	34.1	Very low	32.1	Very low	96 Å²	96	130.4 Å²	130.4	58%	0.582	68%	0.681	S	S	*	*	H	α-helix	trans	-69.6	-32.4	175	179.3	0	0	0	0	110.5	E691 R698	E691-V694 PolarHBondContact O-N 3.3Å; V694-R698 PolarHBondContact O-N 2.93Å
695	L	35.7	Very low	31.9	Very low	118 Å²	118	127.2 Å²	127.2	62%	0.618	67%	0.672	S	S	*	*	H	α-helix	trans	-68.2	-38.1	171.7	-83.7	158.1	0	0	0	112	E693 K697 R698 A699	E693-L695 VanDerWaalsContact C-N 3.28Å; E693-L695 PolarHBondContact O-N 2.71Å; L695-K697 PolarHBondContact O-N 3.39Å; L695-R698 PolarHBondContact O-N 2.98Å; L695-A699 PolarHBondContact O-N 3.4Å
696	A	36.2	Very low	32.2	Very low	60 Å²	60	127.8 Å²	127.8	50%	0.496	66%	0.66	S	S	.	*	H	α-helix	trans	-64.1	-37.5	177.1	0	0	0	0	0	112.8	D692 E693 A699	D692-A696 PolarHBondContact O-N 2.9Å; E693-A696 PolarHBondContact O-N 2.62Å; A696-A699 PolarHBondContact O-N 3.49Å
697	K	30.8	Very low	33	Very low	176 Å²	176	132.8 Å²	132.8	77%	0.765	68%	0.681	S	S	*	*	H	α-helix	trans	-70	-33.5	177	-126	179	-176	178.4	0	113	E693 L695 F700	E693-K697 PolarHBondContact O-N 3.16Å; L695-K697 PolarHBondContact O-N 3.39Å; K697-F700 PolarHBondContact O-N 3.48Å
698	R	30.8	Very low	33.8	Very low	196 Å²	196	129.2 Å²	129.2	74%	0.74	67%	0.67	S	S	*	*	H	α-helix	trans	-74.1	-26.8	174.6	-81.6	-175.3	173.2	174.5	-0.5	113.4	V694 L695 F700 E701	V694-R698 PolarHBondContact O-N 2.93Å; L695-R698 PolarHBondContact O-N 2.98Å; R698-F700 PolarHBondContact O-N 2.8Å; R698-E701 PolarHBondContact O-N 2.93Å
699	A	33.6	Very low	34.1	Very low	77 Å²	77	126.6 Å²	126.6	64%	0.636	66%	0.66	S	S	*	*	H	α-helix	trans	-67.7	-20.2	174.8	0	0	0	0	0	113.2	L695 A696	L695-A699 PolarHBondContact O-N 3.4Å; A696-A699 PolarHBondContact O-N 3.49Å
700	F	30.2	Very low	34.2	Very low	191 Å²	191	126.8 Å²	126.8	84%	0.838	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-14.7	-178.9	-128.7	-91	0	0	0	114.1	K697 R698 M702	K697-F700 PolarHBondContact O-N 3.48Å; R698-F700 PolarHBondContact O-N 2.8Å; F700-M702 PolarHBondContact O-N 3.28Å
701	E	25.8	Very low	34.2	Very low	118 Å²	118	130.2 Å²	130.2	55%	0.551	68%	0.675	S	S	*	*	S	Bend	trans	-86.5	81.8	167.6	-73.7	-177.5	-174	0	0	108.9	R698 R703	R698-E701 PolarHBondContact O-N 2.93Å; E701-R703 VanDerWaalsContact C-N 3.32Å; E701-R703 PolarHBondContact O-N 3.05Å; E701-R703 IonicContact OE2-CZ 3.56Å; E701-R703 IonicContact OE2-NE 2.84Å; E701-R703 PolarHBondContact OE2-NE 2.97Å; E701-R703 IonicContact OE2-NH2 3.62Å; E701-R703 PolarHBondContact OE2-NH2 2.87Å
702	M	27.9	Very low	33.7	Very low	158 Å²	158	128.3 Å²	128.3	78%	0.778	67%	0.669	S	S	*	*			trans	-60.3	94.3	166.6	-84.7	-178	57.6	0	0	109.6	F700 L704	F700-M702 PolarHBondContact O-N 3.28Å; M702-L704 PolarHBondContact O-N 3.46Å
703	R	26.4	Very low	33.2	Very low	193 Å²	193	127.8 Å²	127.8	73%	0.728	67%	0.672	S	S	*	*			trans	-86.1	100.8	169.8	-65.6	-178.7	-168.6	-165.1	-0.5	108.3	E701 S705	E701-R703 VanDerWaalsContact C-N 3.32Å; E701-R703 PolarHBondContact O-N 3.05Å; E701-R703 IonicContact OE2-CZ 3.56Å; E701-R703 IonicContact OE2-NE 2.84Å; E701-R703 PolarHBondContact OE2-NE 2.97Å; E701-R703 IonicContact OE2-NH2 3.62Å; E701-R703 PolarHBondContact OE2-NH2 2.87Å; R703-S705 PolarHBondContact O-N 3.14Å
704	L	28	Very low	32.8	Very low	149 Å²	149	130.5 Å²	130.5	78%	0.78	69%	0.69	S	S	*	*			trans	-82.2	104	169.6	-73.2	165.5	0	0	0	108.1	M702	M702-L704 PolarHBondContact O-N 3.46Å
705	S	29	Very low	32.4	Very low	94 Å²	94	131 Å²	131	66%	0.657	70%	0.697	S	S	*	*			trans	-84.8	129.7	168.9	47.3	0	0	0	0	109.6	R703	R703-S705 PolarHBondContact O-N 3.14Å
706	D	36.7	Very low	32	Very low	74 Å²	74	131 Å²	131	40%	0.396	71%	0.705	S	S	.	*			trans	-77	166.3	166.8	82.1	15.1	0	0	0	111.4	S708 G709	D706-S708 PolarHBondContact O-N 3.31Å; D706-S708 WeakPolarHBondContact OD1-CA 3.35Å; D706-S708 WeakPolarHBondContact OD1-CB 3.31Å; D706-S708 PolarHBondContact OD1-N 2.71Å; D706-S708 PolarHBondContact OD1-OG 2.76Å; D706-G709 PolarHBondContact O-N 3.43Å; D706-G709 PolarHBondContact OD1-N 3.16Å
707	E	45.5	Very low	31.5	Very low	214 Å²	214	133.1 Å²	133.1	100%	1	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-3.9	-176.2	-67.9	-164.2	157.8	0	0	114.5
708	S	47	Very low	31.3	Very low	83 Å²	83	134.6 Å²	134.6	58%	0.58	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	0.7	173.9	74.2	0	0	0	0	114.2	D706 N710	D706-S708 PolarHBondContact O-N 3.31Å; D706-S708 WeakPolarHBondContact OD1-CA 3.35Å; D706-S708 WeakPolarHBondContact OD1-CB 3.31Å; D706-S708 PolarHBondContact OD1-N 2.71Å; D706-S708 PolarHBondContact OD1-OG 2.76Å; S708-N710 PolarHBondContact O-N 3.49Å
709	G	36.6	Very low	31.1	Very low	57 Å²	57	129.6 Å²	129.6	59%	0.588	72%	0.719	S	S	*	*			trans	72.7	20.3	169.5	0	0	0	0	0	115.4	D706	D706-G709 PolarHBondContact O-N 3.43Å; D706-G709 PolarHBondContact OD1-N 3.16Å
710	N	31.6	Very low	30.8	Very low	114 Å²	114	132.7 Å²	132.7	61%	0.61	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-102.7	133.5	175.9	-77.1	-34.7	0	0	0	112.2	S708	S708-N710 PolarHBondContact O-N 3.49Å
711	D	33.7	Very low	30.6	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-72.9	122.2	-179.8	-70.2	-43.3	0	0	0	111.6
712	I	30.6	Very low	30.6	Very low	130 Å²	130	132.5 Å²	132.5	67%	0.667	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-92.1	118.4	174.6	-55.8	174.4	0	0	0	109.1
713	P	29.7	Very low	30.4	Very low	112 Å²	112	132 Å²	132	73%	0.727	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-71	132.4	174.9	-10.8	26	0	0	0	110.6	C715	P713-C715 VanDerWaalsContact C-N 3.3Å; P713-C715 PolarHBondContact O-N 3.35Å
714	L	29.6	Very low	30.4	Very low	185 Å²	185	132 Å²	132	97%	0.969	75%	0.747	S	S	*	*			trans	-60.3	85.6	173.2	-80.5	151.7	0	0	0	110.7
715	C	25.9	Very low	30	Very low	108 Å²	108	133.7 Å²	133.7	73%	0.73	75%	0.749	S	S	*	*			trans	-80	122	162.9	-164.6	0	0	0	0	107.6	P713 S717	P713-C715 VanDerWaalsContact C-N 3.3Å; P713-C715 PolarHBondContact O-N 3.35Å; C715-S717 VanDerWaalsContact C-N 3.27Å; C715-S717 PolarHBondContact O-N 3.25Å
716	C	25.8	Very low	29.7	Very low	117 Å²	117	135.3 Å²	135.3	79%	0.791	76%	0.757	S	S	*	*			trans	-57.2	86.6	173	-177.5	0	0	0	0	110
717	S	26	Very low	29.2	Very low	104 Å²	104	140.3 Å²	140.3	73%	0.727	78%	0.78	S	S	*	*			trans	-110.2	60.5	173.7	64.5	0	0	0	0	109.5	C715	C715-S717 VanDerWaalsContact C-N 3.27Å; C715-S717 PolarHBondContact O-N 3.25Å
718	Y	25.9	Very low	28.2	Very low	207 Å²	207	138.1 Å²	138.1	81%	0.812	77%	0.774	S	S	*	*			trans	-118.1	10.2	166.5	-101.5	-77.1	0	0	0	113.3
719	A	28.2	Very low	27.1	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	79%	0.791	S	S	*	*	S	Bend	trans	-88.5	2.7	179.5	0	0	0	0	0	115.5
720	N	26.3	Very low	26.5	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	80%	0.796	S	S	*	*			trans	-122.4	11.1	-170.1	-95.2	-13.8	0	0	0	118
721	E	26.1	Very low	26.2	Very low	172 Å²	172	145 Å²	145	80%	0.804	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	17.5	179.5	-82.1	-167.6	161.7	0	0	116.3
722	C	25.2	Very low	25.8	Very low	132 Å²	132	146.2 Å²	146.2	89%	0.892	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	16.3	172.9	-73.1	0	0	0	0	115.6
723	L	24.6	Very low	25.5	Very low	148 Å²	148	148 Å²	148	78%	0.775	82%	0.823	S	S	*	*			trans	-106.4	77.2	172.6	-83.7	153.6	0	0	0	110.5	K725	L723-K725 PolarHBondContact O-N 3.42Å
724	E	25.3	Very low	25.3	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	83%	0.827	S	S	*	*			trans	-58.3	102.4	165.9	-71.9	-172.2	158	0	0	109.5
725	K	21.4	Very low	25.2	Very low	185 Å²	185	144.2 Å²	144.2	80%	0.804	82%	0.822	S	S	*	*			trans	-81.2	127	167.1	-80.4	-178.2	177.1	175.2	0	108.9	L723 M727	L723-K725 PolarHBondContact O-N 3.42Å; K725-M727 PolarHBondContact O-N 2.96Å; K725-M727 VanDerWaalsContact O-N 3.15Å
726	P	22.9	Very low	25.2	Very low	127 Å²	127	147.4 Å²	147.4	83%	0.825	83%	0.825	S	S	*	*			trans	-68	113.9	178.2	25.9	-31.3	0	0	0	110
727	M	25.4	Very low	25.1	Very low	179 Å²	179	148.2 Å²	148.2	88%	0.882	82%	0.822	S	S	*	*			trans	-77.1	127	174.9	-71.8	-175.5	68.4	0	0	110.5	K725 L729	K725-M727 PolarHBondContact O-N 2.96Å; K725-M727 VanDerWaalsContact O-N 3.15Å; M727-L729 PolarHBondContact O-N 3.36Å
728	L	23.9	Very low	25.2	Very low	169 Å²	169	150 Å²	150	89%	0.885	83%	0.828	S	S	*	*			trans	-67.9	123.9	178	-80.9	157.8	0	0	0	111.2	S730	L728-S730 PolarHBondContact O-N 2.83Å; L728-S730 VanDerWaalsContact O-N 3.17Å
729	L	23.7	Very low	25	Very low	178 Å²	178	148.7 Å²	148.7	93%	0.932	83%	0.83	S	S	*	*			trans	-74.9	89.8	-179.4	-125.4	131.5	0	0	0	110.1	M727	M727-L729 PolarHBondContact O-N 3.36Å
730	S	24.9	Very low	24.9	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	83%	0.829	S	S	*	*			trans	-150.3	61.5	171.3	67.1	0	0	0	0	112.5	L728	L728-S730 PolarHBondContact O-N 2.83Å; L728-S730 VanDerWaalsContact O-N 3.17Å
731	S	25.5	Very low	24.8	Very low	119 Å²	119	150.1 Å²	150.1	83%	0.832	84%	0.837	S	S	*	*			trans	-167	53.1	167.5	-74.5	0	0	0	0	113.2
732	L	25	Very low	24.7	Very low	171 Å²	171	147.8 Å²	147.8	90%	0.895	84%	0.838	S	S	*	*			trans	-146.7	63.7	167.5	-83.3	173	0	0	0	110.2
733	N	23.9	Very low	24.8	Very low	167 Å²	167	146.7 Å²	146.7	89%	0.893	83%	0.83	S	S	*	*			trans	-126.1	75.9	167.6	-87.9	-13	0	0	0	108.6
734	S	26.7	Very low	24.7	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	84%	0.836	S	S	*	*			trans	-176.2	87.4	159.7	54.9	0	0	0	0	111.3
735	A	26.4	Very low	24.7	Very low	104 Å²	104	145.7 Å²	145.7	86%	0.86	83%	0.83	S	S	*	*			trans	-158.8	89.7	153.2	0	0	0	0	0	107.3
736	H	26.8	Very low	24.8	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.806	83%	0.833	S	S	*	*			trans	-73	132.4	-179.2	-90.9	-80.8	0	0	0	111.7
737	N	23.6	Very low	24.9	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	83%	0.829	S	S	*	*			trans	6.7	115.8	147.5	-62	-12.9	0	0	0	117.7
738	V	26.7	Very low	24.9	Very low	140 Å²	140	139.2 Å²	139.2	85%	0.848	82%	0.821	S	S	*	*			trans	-127.7	97.5	144.8	-178.1	0	0	0	0	107.2
739	E	22.3	Very low	24.8	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	82%	0.821	S	S	*	*			trans	-71.6	122.1	168.5	-73.6	174.5	153.5	0	0	108.5
740	A	26.8	Very low	24.9	Very low	90 Å²	90	136.6 Å²	136.6	74%	0.744	82%	0.815	S	S	*	*			trans	-124.3	104.7	168.5	0	0	0	0	0	108.6	C742	A740-C742 PolarHBondContact O-N 3.36Å
741	D	23.8	Very low	25	Very low	173 Å²	173	136.7 Å²	136.7	93%	0.925	82%	0.822	S	S	*	*			trans	-56.3	127.7	172.6	-82.5	-40.2	0	0	0	111.1
742	C	23.6	Very low	25	Very low	123 Å²	123	140.1 Å²	140.1	83%	0.831	82%	0.824	S	S	*	*			trans	-123.7	129.9	174	-134.7	0	0	0	0	109.4	A740	A740-C742 PolarHBondContact O-N 3.36Å
743	P	28.5	Very low	25	Very low	110 Å²	110	137.2 Å²	137.2	71%	0.714	82%	0.819	S	S	*	*			trans	-83.2	143.8	-165.8	32.6	-34.9	0	0	0	113.3	I745	P743-I745 PolarHBondContact O-N 2.93Å
744	N	22.5	Very low	25	Very low	169 Å²	169	139.1 Å²	139.1	90%	0.904	82%	0.819	S	S	*	*			trans	-53.3	117.8	176.1	-69.1	-44.4	0	0	0	112.2
745	I	24.8	Very low	25	Very low	150 Å²	150	140.2 Å²	140.2	77%	0.769	82%	0.821	S	S	*	*			trans	-114.7	107	163.7	-62.2	178.5	0	0	0	107.5	P743 V747	P743-I745 PolarHBondContact O-N 2.93Å; I745-V747 HydrophobicContact CG2-CG2 4.21Å; I745-V747 PolarHBondContact O-N 2.88Å
746	D	22.3	Very low	24.9	Very low	164 Å²	164	144.8 Å²	144.8	88%	0.877	82%	0.821	S	S	*	*			trans	-73.5	114.1	175.9	-147.9	-3.1	0	0	0	108.5
747	V	26.3	Very low	24.8	Very low	122 Å²	122	141.6 Å²	141.6	74%	0.739	83%	0.825	S	S	*	*			trans	-108	103.3	178.5	-173	0	0	0	0	108.1	I745	I745-V747 HydrophobicContact CG2-CG2 4.21Å; I745-V747 PolarHBondContact O-N 2.88Å
748	G	24.1	Very low	25	Very low	69 Å²	69	138.6 Å²	138.6	71%	0.711	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-59.8	136.4	179.7	0	0	0	0	0	113.6
749	L	22.8	Very low	24.9	Very low	168 Å²	168	142 Å²	142	88%	0.88	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-64.7	139.1	174.9	-82.1	98.2	0	0	0	112.4
750	P	26.6	Very low	25.1	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.3	133.5	168.1	23	-16.2	0	0	0	111.5
751	A	25.7	Very low	25.1	Very low	103 Å²	103	140.5 Å²	140.5	85%	0.851	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-67.5	144	-174.8	0	0	0	0	0	113.7
752	Q	25.5	Very low	25.2	Very low	190 Å²	190	141.5 Å²	141.5	89%	0.888	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-65.9	128	-175.1	-62.1	170.2	-10.1	0	0	113.1
753	S	26.3	Very low	25.3	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-86.4	116.5	164.7	52.9	0	0	0	0	110.2	V755	S753-V755 PolarHBondContact O-N 3.48Å
754	K	23.8	Very low	25.1	Very low	206 Å²	206	142.8 Å²	142.8	90%	0.896	83%	0.828	S	S	*	*			trans	-66.6	108.2	178.8	-70.2	175.3	175.8	175.8	0	110.9
755	V	26.6	Very low	25.1	Very low	139 Å²	139	138.9 Å²	138.9	84%	0.842	82%	0.82	S	S	*	*			trans	-88.3	120.3	168.1	179.2	0	0	0	0	109.2	S753	S753-V755 PolarHBondContact O-N 3.48Å
756	K	24.5	Very low	25.1	Very low	199 Å²	199	136.1 Å²	136.1	87%	0.865	81%	0.814	S	S	*	*			trans	-67.7	132.2	-176.6	-80.6	175.2	172.2	174.5	0	111.9	G758	K756-G758 PolarHBondContact O-N 3.07Å
757	A	24.3	Very low	25.2	Very low	107 Å²	107	133.5 Å²	133.5	88%	0.884	81%	0.808	S	S	*	*			trans	-62.3	114.5	171.4	0	0	0	0	0	111.7
758	G	26.8	Very low	25.2	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	82%	0.817	S	S	*	*			trans	-82.7	127.6	170.8	0	0	0	0	0	111	K756	K756-G758 PolarHBondContact O-N 3.07Å
759	K	25.7	Very low	25.3	Very low	212 Å²	212	139.2 Å²	139.2	92%	0.922	82%	0.816	S	S	*	*			trans	-60.7	131.5	-177	-78.4	172.9	172.1	175.8	0	112.7	G761	K759-G761 PolarHBondContact O-N 3.32Å
760	I	26.5	Very low	25.5	Very low	165 Å²	165	137.4 Å²	137.4	85%	0.846	81%	0.812	S	S	*	*			trans	-69.2	112.6	170.9	-65.4	164.5	0	0	0	108.8
761	G	26.4	Very low	25.4	Very low	74 Å²	74	141 Å²	141	76%	0.763	82%	0.816	S	S	*	*			trans	-81.4	126.4	172.3	0	0	0	0	0	111	K759	K759-G761 PolarHBondContact O-N 3.32Å
762	K	25.1	Very low	25.2	Very low	195 Å²	195	143 Å²	143	85%	0.848	81%	0.812	S	S	*	*			trans	-85.5	129.4	170.9	-68.2	175.4	173.2	-179.7	0	109.9
763	T	26.8	Very low	25.1	Very low	131 Å²	131	139.4 Å²	139.4	80%	0.804	81%	0.807	S	S	*	*			trans	-165	103.8	155.8	3.1	0	0	0	0	107.6
764	V	22.9	Very low	25	Very low	128 Å²	128	140 Å²	140	78%	0.776	81%	0.806	S	S	*	*				87.2	120.7	79.8	170.6	0	0	0	0	112.6
765	A	23.4	Very low	25	Very low	88 Å²	88	141 Å²	141	73%	0.727	81%	0.806	S	S	*	*			trans	65.6	147.6	150.6	0	0	0	0	0	117.2
766	S	24.5	Very low	25	Very low	92 Å²	92	138.5 Å²	138.5	64%	0.643	80%	0.8	S	S	*	*			cis	-178.3	167.4	-6.4	43.6	0	0	0	0	105.5
767	S	24.9	Very low	25	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	80%	0.799	S	S	*	*			trans	62.7	84.2	155.5	56.8	0	0	0	0	117.5
768	F	26.6	Very low	25	Very low	210 Å²	210	139 Å²	139	92%	0.921	80%	0.797	S	S	*	*			trans	-104.5	120.3	149.7	-86.5	-84.5	0	0	0	109.2
769	S	26.6	Very low	25	Very low	100 Å²	100	141 Å²	141	70%	0.699	80%	0.797	S	S	*	*			trans	-64.7	129.7	178.1	39.7	0	0	0	0	111	F771	S769-F771 PolarHBondContact O-N 3.44Å; S769-F771 VanDerWaalsContact O-N 3.15Å
770	T	25.5	Very low	25	Very low	130 Å²	130	137.3 Å²	137.3	80%	0.798	80%	0.796	S	S	*	*			trans	-64.1	102.8	172.9	22.9	0	0	0	0	110.6	N772	T770-N772 PolarHBondContact O-N 3.38Å
771	F	24.5	Very low	25	Very low	199 Å²	199	133.7 Å²	133.7	87%	0.873	79%	0.786	S	S	*	*			trans	-81.3	103.1	162.1	-104.1	-91.1	0	0	0	108.8	S769 C773	S769-F771 PolarHBondContact O-N 3.44Å; S769-F771 VanDerWaalsContact O-N 3.15Å; F771-C773 PolarHBondContact O-N 2.97Å
772	N	22	Very low	25	Very low	145 Å²	145	137.9 Å²	137.9	78%	0.775	79%	0.789	S	S	*	*			trans	-65.5	105.4	172.2	-85.1	-20.7	0	0	0	110	T770	T770-N772 PolarHBondContact O-N 3.38Å
773	C	22.8	Very low	25	Very low	115 Å²	115	132.9 Å²	132.9	78%	0.777	78%	0.784	S	S	*	*			trans	-91.7	104	164.9	-173.1	0	0	0	0	109	F771 Y775	F771-C773 PolarHBondContact O-N 2.97Å; C773-Y775 PolarHBondContact O-N 3.16Å; C773-Y775 VanDerWaalsContact O-N 3.15Å
774	T	23.7	Very low	25	Very low	125 Å²	125	133.3 Å²	133.3	77%	0.767	79%	0.791	S	S	*	*			trans	-76.6	86.1	174.3	41.5	0	0	0	0	110.6
775	Y	25.6	Very low	25.1	Very low	225 Å²	225	138.7 Å²	138.7	88%	0.882	80%	0.797	S	S	*	*			trans	-138.9	60.1	155.7	-94.2	-84.5	0	0	0	109	C773	C773-Y775 PolarHBondContact O-N 3.16Å; C773-Y775 VanDerWaalsContact O-N 3.15Å
776	A	25.7	Very low	25.3	Very low	87 Å²	87	139.9 Å²	139.9	72%	0.719	80%	0.795	S	S	*	*			trans	-88.1	105.1	164.5	0	0	0	0	0	107.4
777	N	24.5	Very low	25.4	Very low	158 Å²	158	143.4 Å²	143.4	85%	0.845	80%	0.801	S	S	*	*			trans	177.5	74.3	150.1	-87.8	-17.3	0	0	0	110
778	N	25.2	Very low	25.6	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	79%	0.789	S	S	*	*			trans	-155.6	107.3	145.1	-119.7	-12.2	0	0	0	108.9	C780	N778-C780 VanDerWaalsContact C-N 3.33Å; N778-C780 PolarHBondContact O-N 2.9Å
779	P	26	Very low	25.5	Very low	115 Å²	115	136.9 Å²	136.9	75%	0.747	78%	0.779	S	S	*	*			trans	-80.7	82.8	-178.3	32.9	-30.5	0	0	0	108.9	S781	P779-S781 PolarHBondContact O-N 2.66Å; P779-S781 VanDerWaalsContact O-N 3.11Å
780	C	25.2	Very low	25.9	Very low	134 Å²	134	134 Å²	134	91%	0.905	76%	0.755	S	S	*	*			trans	-82.7	73.4	160.6	-167.3	0	0	0	0	108	N778	N778-C780 VanDerWaalsContact C-N 3.33Å; N778-C780 PolarHBondContact O-N 2.9Å
781	S	26.2	Very low	26.4	Very low	89 Å²	89	128.9 Å²	128.9	62%	0.622	72%	0.724	S	S	*	*			trans	-86.9	128.7	171	58.6	0	0	0	0	109.2	P779	P779-S781 PolarHBondContact O-N 2.66Å; P779-S781 VanDerWaalsContact O-N 3.11Å
782	I	26.8	Very low	26.8	Very low	163 Å²	163	123.4 Å²	123.4	84%	0.836	70%	0.704	S	S	*	*	S	Bend	trans	100	109.1	157.5	-53.8	155.1	0	0	0	115.1
783	A	26	Very low	27.4	Very low	90 Å²	90	118 Å²	118	74%	0.744	68%	0.675	S	S	*	*			trans	90.3	69.6	160.2	0	0	0	0	0	118.9
784	C	27.1	Very low	27.9	Very low	139 Å²	139	119.1 Å²	119.1	94%	0.939	66%	0.663	S	S	*	*			trans	-130.6	98.8	141.1	-105.7	0	0	0	0	108.9
785	R	23.8	Very low	28.7	Very low	242 Å²	242	117.6 Å²	117.6	91%	0.913	65%	0.648	S	S	*	*			trans	-79.5	133.3	169.1	-72.6	-176.6	177.4	-168	-0.5	108.5
786	T	27.4	Very low	29.1	Very low	112 Å²	112	108.9 Å²	108.9	69%	0.687	62%	0.616	S	S	*	*			trans	-22.2	150.6	171.7	50.2	0	0	0	0	120.5
787	H	26.5	Very low	29.6	Very low	167 Å²	167	113.3 Å²	113.3	77%	0.773	61%	0.614	S	S	*	*			trans	106.9	103.9	151.9	-73.4	-77.8	0	0	0	119.5
788	G	29	Very low	30.4	Very low	48 Å²	48	112.7 Å²	112.7	50%	0.495	61%	0.606	S	S	.	*			trans	86	97	138.9	0	0	0	0	0	114.6	I790	G788-I790 WeakPolarHBondContact O-CG1 3.31Å
789	D	26.3	Very low	31	Very low	134 Å²	134	109.1 Å²	109.1	72%	0.717	58%	0.584	S	S	*	*			trans	-71.2	120.1	175.8	-60.1	-47.7	0	0	0	110.3	D577	D577-D789 VanDerWaalsContact OD1-CB 3.3Å; D577-D789 WeakPolarHBondContact OD1-CB 3.42Å
790	I	34.3	Very low	31.4	Very low	40 Å²	40	106.8 Å²	106.8	21%	0.205	58%	0.581	C	S	.	*			trans	-152.1	145.9	-169.1	-54.5	170.6	0	0	0	109.6	E85 L576 G788 N792	E85-I790 HydrophobicContact CB-CG2 3.68Å; E85-I790 HydrophobicContact CG-CB 4.27Å; E85-I790 HydrophobicContact CG-CG2 3.32Å; E85-I790 WeakPolarHBondContact OE1-CB 3.33Å; E85-I790 WeakPolarHBondContact OE1-CD1 3.32Å; E85-I790 WeakPolarHBondContact OE1-CG2 3.46Å; E85-I790 VanDerWaalsContact OE2-CD1 3.28Å; E85-I790 WeakPolarHBondContact OE2-CD1 3.11Å; L576-I790 HydrophobicContact CD1-CG2 4.28Å; G788-I790 WeakPolarHBondContact O-CG1 3.31Å; I790-N792 PolarHBondContact O-N 3.44Å
791	V	35.8	Very low	31.9	Very low	22 Å²	22	106.6 Å²	106.6	13%	0.133	57%	0.565	C	S	.	*			trans	-47.6	107.1	170.3	-176	0	0	0	0	110.8	L576 V793	L576-V791 VanDerWaalsContact CA-CG2 3.45Å; L576-V791 HydrophobicContact CB-CG2 3.88Å; L576-V791 HydrophobicContact CD2-CB 4.34Å; L576-V791 HydrophobicContact CD2-CG2 3.62Å; L576-V791 HydrophobicContact CG-CG2 4.37Å; L576-V791 WeakPolarHBondContact O-CG2 3.45Å; L576-V791 PolarHBondContact O-N 3.2Å; V791-V793 HydrophobicContact CG1-CG2 4.2Å; V791-V793 PolarHBondContact O-N 3.17Å
792	N	32.5	Very low	32.5	Very low	84 Å²	84	111.9 Å²	111.9	45%	0.449	58%	0.577	S	S	.	*			trans	-82.1	82.8	180	-167.1	-12.5	0	0	0	110.4	I790 R794 H795	I790-N792 PolarHBondContact O-N 3.44Å; N792-R794 PolarHBondContact O-N 3.29Å; N792-R794 WeakPolarHBondContact OD1-CB 3.38Å; N792-R794 PolarHBondContact OD1-N 2.88Å; N792-H795 PolarHBondContact O-N 2.95Å
793	V	36.1	Very low	33.4	Very low	30 Å²	30	108.6 Å²	108.6	18%	0.182	56%	0.557	C	S	.	*	H	α-helix	trans	-60.4	-16.7	175.1	-174.1	0	0	0	0	111.5	R83 G84 V791 H795 L796 R797	R83-V793 VanDerWaalsContact O-CB 3.26Å; R83-V793 WeakPolarHBondContact O-CB 3.44Å; R83-V793 PolarHBondContact O-N 2.81Å; G84-V793 WeakPolarHBondContact O-CG2 3.37Å; V791-V793 HydrophobicContact CG1-CG2 4.2Å; V791-V793 PolarHBondContact O-N 3.17Å; V793-H795 VanDerWaalsContact C-N 3.34Å; V793-H795 PolarHBondContact O-N 2.96Å; V793-L796 PolarHBondContact O-N 3.15Å; V793-R797 PolarHBondContact O-N 2.85Å
794	R	32.8	Very low	35	Very low	139 Å²	139	107.9 Å²	107.9	53%	0.525	54%	0.543	S	S	.	.	H	α-helix	trans	-63.7	-35.4	171.5	-123.6	-178.9	-169	-178.9	2	112.7	N792 L796 R797 Q798	N792-R794 PolarHBondContact O-N 3.29Å; N792-R794 WeakPolarHBondContact OD1-CB 3.38Å; N792-R794 PolarHBondContact OD1-N 2.88Å; R794-L796 VanDerWaalsContact C-N 3.33Å; R794-R797 PolarHBondContact O-N 3.22Å; R794-Q798 WeakPolarHBondContact O-CB 3.28Å; R794-Q798 WeakPolarHBondContact O-CG 3.39Å; R794-Q798 PolarHBondContact O-N 2.99Å
795	H	39.2	Very low	36.9	Very low	94 Å²	94	103.3 Å²	103.3	44%	0.435	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-35.6	175.8	-149.4	68.3	0	0	0	111.1	N792 V793 Q798 Q799	N792-H795 PolarHBondContact O-N 2.95Å; V793-H795 VanDerWaalsContact C-N 3.34Å; V793-H795 PolarHBondContact O-N 2.96Å; H795-Q798 PolarHBondContact ND1-OE1 3.46Å; H795-Q798 PolarHBondContact O-N 3.31Å; H795-Q799 WeakPolarHBondContact O-CG 3.43Å; H795-Q799 PolarHBondContact O-N 3.06Å
796	L	36	Very low	38.9	Very low	42 Å²	42	94.1 Å²	94.1	22%	0.22	49%	0.485	C	S	.	.	H	α-helix	trans	-68.5	-36.4	174.1	-64.2	170.6	0	0	0	112.6	V793 R794 Q799	V793-L796 PolarHBondContact O-N 3.15Å; R794-L796 VanDerWaalsContact C-N 3.33Å; L796-Q799 PolarHBondContact O-N 3.39Å
797	R	34.6	Very low	40.9	Very low	179 Å²	179	93.3 Å²	93.3	68%	0.675	47%	0.473	S	S	*	.	H	α-helix	trans	-70.8	-34.5	171.9	-81	-173	177.2	178.6	0.2	112.9	V793 R794 Q799 G800	V793-R797 PolarHBondContact O-N 2.85Å; R794-R797 PolarHBondContact O-N 3.22Å; R797-Q799 PolarHBondContact O-N 3.19Å; R797-G800 PolarHBondContact O-N 3.35Å
798	Q	42	Very low	43.3	Very low	146 Å²	146	87.8 Å²	87.8	68%	0.682	45%	0.449	S	S	*	.	H	α-helix	trans	-63.1	-25.9	172.4	-77.8	173.4	-15.3	0	0	111.8	R794 H795 G800	R794-Q798 WeakPolarHBondContact O-CB 3.28Å; R794-Q798 WeakPolarHBondContact O-CG 3.39Å; R794-Q798 PolarHBondContact O-N 2.99Å; H795-Q798 PolarHBondContact ND1-OE1 3.46Å; H795-Q798 PolarHBondContact O-N 3.31Å; Q798-G800 VanDerWaalsContact C-N 3.29Å; Q798-G800 PolarHBondContact O-N 3.17Å
799	Q	38.1	Very low	46	Very low	82 Å²	82	86.4 Å²	86.4	38%	0.383	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	5.9	172.6	-67.2	172.4	7.7	0	0	114.4	H795 L796 R797 K801	H795-Q799 WeakPolarHBondContact O-CG 3.43Å; H795-Q799 PolarHBondContact O-N 3.06Å; L796-Q799 PolarHBondContact O-N 3.39Å; R797-Q799 PolarHBondContact O-N 3.19Å; Q799-K801 PolarHBondContact O-N 3.2Å
800	G	34.7	Very low	48.8	Very low	66 Å²	66	80.9 Å²	80.9	68%	0.68	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-1.8	177.7	0	0	0	0	0	115.7	R797 Q798 K802	R797-G800 PolarHBondContact O-N 3.35Å; Q798-G800 VanDerWaalsContact C-N 3.29Å; Q798-G800 PolarHBondContact O-N 3.17Å; G800-K802 PolarHBondContact O-N 3.17Å
801	K	34.8	Very low	51.2	Low	131 Å²	131	85 Å²	85	57%	0.57	42%	0.419	S	S	*	.			trans	-81.1	103.8	176.1	-70.9	-173.3	178	178.7	0	110	Q799 F803	Q799-K801 PolarHBondContact O-N 3.2Å; K801-F803 HydrophobicContact CB-CD2 4.16Å; K801-F803 HydrophobicContact CB-CE2 3.74Å; K801-F803 HydrophobicContact CB-CZ 4.48Å; K801-F803 HydrophobicContact CD-CE2 4.15Å; K801-F803 HydrophobicContact CD-CZ 4.26Å; K801-F803 PolarHBondContact O-N 3.04Å; K801-F803 VanDerWaalsContact O-N 3.13Å
802	K	38.3	Very low	53.8	Low	199 Å²	199	84 Å²	84	87%	0.865	41%	0.413	S	S	*	.			trans	-74.8	91.6	168.2	-75.3	179.7	179.4	175.3	0	108.7	G800	G800-K802 PolarHBondContact O-N 3.17Å
803	F	47.2	Very low	56.5	Low	95 Å²	95	80 Å²	80	42%	0.417	39%	0.392	S	S	.	.			trans	-75.6	135.6	162	-69	-84.6	0	0	0	109.2	K801 E807	K801-F803 HydrophobicContact CB-CD2 4.16Å; K801-F803 HydrophobicContact CB-CE2 3.74Å; K801-F803 HydrophobicContact CB-CZ 4.48Å; K801-F803 HydrophobicContact CD-CE2 4.15Å; K801-F803 HydrophobicContact CD-CZ 4.26Å; K801-F803 PolarHBondContact O-N 3.04Å; K801-F803 VanDerWaalsContact O-N 3.13Å; F803-E807 WeakPolarHBondContact CA-OE2 3.3Å; F803-E807 WeakPolarHBondContact CB-OE2 3.32Å; F803-E807 WeakPolarHBondContact CD1-OE2 3.33Å
804	T	58.5	Low	59.1	Low	75 Å²	75	78.8 Å²	78.8	46%	0.46	38%	0.384	S	S	.	.			trans	-83.2	147.1	167.4	65.7	0	0	0	0	108.8	A806 E807	T804-A806 PolarHBondContact O-N 3.3Å; T804-A806 VanDerWaalsContact O-N 3.1Å; T804-E807 PolarHBondContact N-OE2 3.36Å; T804-E807 WeakPolarHBondContact O-CB 3.45Å; T804-E807 PolarHBondContact O-N 3.26Å; T804-E807 WeakPolarHBondContact OG1-CG 3.45Å; T804-E807 PolarHBondContact OG1-OE1 3.02Å
805	L	66.4	Low	61.7	Low	42 Å²	42	74 Å²	74	22%	0.22	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-58.7	-26.6	179.3	-147.6	78.7	0	0	0	112.1	P48 F77 T79 E807 L808	P48-L805 HydrophobicContact CB-CB 4.24Å; P48-L805 HydrophobicContact CB-CD2 3.48Å; P48-L805 VanDerWaalsContact CB-CD2 3.48Å; P48-L805 HydrophobicContact CG-CD2 3.86Å; F77-L805 HydrophobicContact CE1-CD2 3.32Å; F77-L805 HydrophobicContact CE2-CD2 4.48Å; F77-L805 HydrophobicContact CZ-CD2 3.19Å; F77-L805 HydrophobicContact CZ-CG 3.95Å; T79-L805 HydrophobicContact CG2-CD1 4.24Å; T79-L805 HydrophobicContact CG2-CD2 3.5Å; T79-L805 VanDerWaalsContact CG2-CD2 3.5Å; L805-E807 VanDerWaalsContact C-N 3.29Å; L805-E807 PolarHBondContact O-N 3.09Å; L805-L808 HydrophobicContact CD1-CD1 4.47Å; L805-L808 PolarHBondContact O-N 3.48Å
806	A	66.3	Low	63.8	Low	50 Å²	50	73.3 Å²	73.3	41%	0.413	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-61.1	-32.4	173.8	0	0	0	0	0	113.1	P48 T804 L808 I809	P48-A806 PolarHBondContact O-N 3.45Å; T804-A806 PolarHBondContact O-N 3.3Å; T804-A806 VanDerWaalsContact O-N 3.1Å; A806-L808 PolarHBondContact O-N 3.36Å; A806-I809 PolarHBondContact O-N 3.27Å
807	E	70	Confident	66.1	Low	94 Å²	94	72.1 Å²	72.1	44%	0.439	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-74.2	-15.3	179.3	-68.6	159.3	-178.5	0	0	113.3	F803 T804 L805	F803-E807 WeakPolarHBondContact CA-OE2 3.3Å; F803-E807 WeakPolarHBondContact CB-OE2 3.32Å; F803-E807 WeakPolarHBondContact CD1-OE2 3.33Å; T804-E807 PolarHBondContact N-OE2 3.36Å; T804-E807 WeakPolarHBondContact O-CB 3.45Å; T804-E807 PolarHBondContact O-N 3.26Å; T804-E807 WeakPolarHBondContact OG1-CG 3.45Å; T804-E807 PolarHBondContact OG1-OE1 3.02Å; L805-E807 VanDerWaalsContact C-N 3.29Å; L805-E807 PolarHBondContact O-N 3.09Å
808	L	77.6	Confident	68.1	Low	51 Å²	51	66.9 Å²	66.9	27%	0.267	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-92.2	-10.7	178.7	-57.9	177.2	0	0	0	112.5	F86 L805 A806 K816	F86-L808 HydrophobicContact CD1-CD1 4.26Å; F86-L808 HydrophobicContact CE1-CB 4.12Å; F86-L808 HydrophobicContact CE1-CD1 3.68Å; F86-L808 HydrophobicContact CZ-CB 3.94Å; F86-L808 HydrophobicContact CZ-CD1 4.36Å; L805-L808 HydrophobicContact CD1-CD1 4.47Å; L805-L808 PolarHBondContact O-N 3.48Å; A806-L808 PolarHBondContact O-N 3.36Å; L808-K816 PolarHBondContact O-N 3.27Å
809	I	84.4	Confident	70	Confident	20 Å²	20	61.5 Å²	61.5	10%	0.103	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-103.9	125.5	177.4	-56.9	-61.1	0	0	0	108.2	F49 F77 F86 N88 A806 L814	F49-I809 HydrophobicContact CB-CB 4.31Å; F49-I809 HydrophobicContact CB-CG1 4.07Å; F49-I809 HydrophobicContact CB-CG2 4.34Å; F77-I809 HydrophobicContact CE2-CD1 3.93Å; F86-I809 HydrophobicContact CE2-CD1 3.9Å; N88-I809 HydrophobicContact CB-CD1 4.35Å; N88-I809 WeakPolarHBondContact ND2-CD1 3.48Å; A806-I809 PolarHBondContact O-N 3.27Å; I809-L814 CarbonylContact C-O 3.4Å; I809-L814 WeakPolarHBondContact CA-O 3.27Å
810	D	86.4	Confident	72	Confident	18 Å²	18	59.4 Å²	59.4	10%	0.096	31%	0.313	C	S	.	.			trans	-84.2	172	-178.9	-164.8	8.5	0	0	0	110.9	K500 Y536 D812 G813 L814 K816	K500-D810 WeakPolarHBondContact CE-OD2 3.47Å; K500-D810 IonicContact NZ-OD2 2.82Å; K500-D810 PolarHBondContact NZ-OD2 3.27Å; Y536-D810 PolarHBondContact OH-OD2 3.06Å; D810-D812 WeakPolarHBondContact CB-OD1 3.29Å; D810-D812 PolarHBondContact O-N 2.84Å; D810-D812 VanDerWaalsContact O-N 3.13Å; D810-G813 PolarHBondContact O-N 3.09Å; D810-L814 PolarHBondContact N-O 2.93Å; D810-K816 HydrophobicContact CB-CB 4.08Å; D810-K816 HydrophobicContact CB-CG 4.41Å
811	Q	84.8	Confident	74.2	Confident	126 Å²	126	60.1 Å²	60.1	59%	0.589	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.2	-173.4	-61.4	178.3	3.8	0	0	112.9	L52 L165 G813	L52-Q811 VanDerWaalsContact CD2-O 3.27Å; L52-Q811 WeakPolarHBondContact CD2-O 3.5Å; L165-Q811 WeakPolarHBondContact CD1-O 3.27Å; L165-Q811 HydrophobicContact CG-CB 4.42Å; Q811-G813 PolarHBondContact O-N 2.94Å
812	D	89.7	Confident	76.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	2.3	175.7	68.4	-14	0	0	0	114.1	K500 H504 L509 Y536 D810 L814	K500-D812 IonicContact NZ-OD1 2.71Å; K500-D812 PolarHBondContact NZ-OD1 3.38Å; K500-D812 VanDerWaalsContact NZ-OD1 3.1Å; K500-D812 IonicContact NZ-OD2 2.8Å; K500-D812 PolarHBondContact NZ-OD2 3.03Å; H504-D812 IonicContact CE1-OD2 3.58Å; H504-D812 PolarHBondContact CE1-OD2 2.85Å; H504-D812 IonicContact NE2-OD2 3.23Å; H504-D812 PolarHBondContact NE2-OD2 3.03Å; L509-D812 HydrophobicContact CD2-CB 4.12Å; Y536-D812 HydrophobicContact CE2-CB 4.01Å; Y536-D812 PolarHBondContact OH-OD2 2.97Å; D810-D812 WeakPolarHBondContact CB-OD1 3.29Å; D810-D812 PolarHBondContact O-N 2.84Å; D810-D812 VanDerWaalsContact O-N 3.13Å; D812-L814 PolarHBondContact O-N 3.42Å; D812-L814 PolarHBondContact OD1-N 3Å
813	G	89.3	Confident	78.9	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	74.8	6.9	-176.4	0	0	0	0	0	114.3	R75 N88 D810 Q811	R75-G813 PolarHBondContact NH1-O 3.14Å; N88-G813 PolarHBondContact ND2-O 2.93Å; D810-G813 PolarHBondContact O-N 3.09Å; Q811-G813 PolarHBondContact O-N 2.94Å
814	L	90.7	Very high	80.8	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-99.8	175.6	175.8	-54.9	-170.3	0	0	0	111.2	F74 N88 P90 Q503 I809 D810 D812 K816	F74-L814 HydrophobicContact CE1-CD2 4.11Å; F74-L814 HydrophobicContact CZ-CD2 4.08Å; N88-L814 WeakPolarHBondContact ND2-CA 3.48Å; P90-L814 HydrophobicContact CG-CD2 3.53Å; Q503-L814 HydrophobicContact CB-CD1 3.81Å; I809-L814 CarbonylContact C-O 3.4Å; I809-L814 WeakPolarHBondContact CA-O 3.27Å; D810-L814 PolarHBondContact N-O 2.93Å; D812-L814 PolarHBondContact O-N 3.42Å; D812-L814 PolarHBondContact OD1-N 3Å; L814-K816 PolarHBondContact O-N 2.86Å
815	V	85.9	Confident	82.2	Confident	38 Å²	38	48.7 Å²	48.7	23%	0.23	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-64.5	134.6	176.4	-178.4	0	0	0	0	109.2	F86 N88 V817	F86-V815 HydrophobicContact CE2-CG2 3.84Å; F86-V815 HydrophobicContact CZ-CG1 4.12Å; F86-V815 HydrophobicContact CZ-CG2 4.04Å; N88-V815 HydrophobicContact CB-CG2 3.92Å; V815-V817 PolarHBondContact O-N 3.27Å
816	K	84.1	Confident	83.1	Confident	81 Å²	81	49.1 Å²	49.1	35%	0.352	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-67.8	120	173.6	-170	167.9	-174.1	165.7	0	109.6	L808 D810 L814 K818	L808-K816 PolarHBondContact O-N 3.27Å; D810-K816 HydrophobicContact CB-CB 4.08Å; D810-K816 HydrophobicContact CB-CG 4.41Å; L814-K816 PolarHBondContact O-N 2.86Å; K816-K818 HydrophobicContact CG-CG 4.28Å
817	V	84.2	Confident	84.2	Confident	16 Å²	16	51.8 Å²	51.8	10%	0.097	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-95.1	126.4	175.7	-176.7	0	0	0	0	107.2	V496 V499 T571 V815	V496-V817 HydrophobicContact CG1-CB 4.22Å; V496-V817 HydrophobicContact CG1-CG1 4.43Å; V496-V817 HydrophobicContact CG2-CG1 4.22Å; V499-V817 HydrophobicContact CB-CG1 4.36Å; V499-V817 HydrophobicContact CB-CG2 4.5Å; V499-V817 HydrophobicContact CG1-CG1 4.2Å; V499-V817 HydrophobicContact CG1-CG2 3.68Å; V499-V817 HydrophobicContact CG2-CG1 4.47Å; T571-V817 HydrophobicContact CG2-CG1 3.58Å; V815-V817 PolarHBondContact O-N 3.27Å
818	K	76.9	Confident	85.1	Confident	70 Å²	70	51.7 Å²	51.7	30%	0.304	25%	0.254	S	S	.	.			trans	-120.9	128.2	-179.6	-66	-172.4	179.9	179	0	109.6	K816	K816-K818 HydrophobicContact CG-CG 4.28Å
819	D	82	Confident	85.5	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.171	25%	0.253	C	S	.	.			trans	-99.7	103	163.7	-176.8	-28.3	0	0	0	107.8	V496 V821 Q822 Q823	V496-D819 HydrophobicContact CG2-CB 3.92Å; D819-V821 PolarHBondContact O-N 3.13Å; D819-V821 WeakPolarHBondContact OD1-CA 3.4Å; D819-V821 WeakPolarHBondContact OD1-CB 3.47Å; D819-V821 PolarHBondContact OD1-N 2.98Å; D819-Q822 HydrophobicContact CB-CB 3.97Å; D819-Q822 HydrophobicContact CB-CG 4.06Å; D819-Q822 VanDerWaalsContact CG-CG 3.41Å; D819-Q822 PolarHBondContact O-N 2.91Å; D819-Q822 PolarHBondContact OD1-N 3.47Å; D819-Q822 WeakPolarHBondContact OD2-CG 3.25Å; D819-Q823 WeakPolarHBondContact O-CB 3.44Å; D819-Q823 WeakPolarHBondContact O-CG 3.49Å; D819-Q823 PolarHBondContact O-N 3.36Å
820	S	79.2	Confident	85.6	Confident	39 Å²	39	53 Å²	53	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-29	-178.5	62.5	0	0	0	0	113	R824	S820-R824 WeakPolarHBondContact O-CB 3.34Å; S820-R824 PolarHBondContact O-N 3.25Å; S820-R824 VanDerWaalsContact O-N 3.08Å
821	V	82	Confident	85.9	Confident	80 Å²	80	54.8 Å²	54.8	49%	0.485	28%	0.284	S	S	.	.	H	α-helix	trans	-74	-49.2	178.9	177.9	0	0	0	0	109.2	D819 Q823 R824 I825	D819-V821 PolarHBondContact O-N 3.13Å; D819-V821 WeakPolarHBondContact OD1-CA 3.4Å; D819-V821 WeakPolarHBondContact OD1-CB 3.47Å; D819-V821 PolarHBondContact OD1-N 2.98Å; V821-Q823 PolarHBondContact O-N 3.49Å; V821-R824 PolarHBondContact O-N 2.84Å; V821-I825 HydrophobicContact CG1-CD1 3.82Å; V821-I825 VanDerWaalsContact O-CG1 3.27Å; V821-I825 WeakPolarHBondContact O-CG1 3.3Å; V821-I825 PolarHBondContact O-N 2.94Å
822	Q	87.1	Confident	86.2	Confident	21 Å²	21	56.4 Å²	56.4	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-40.2	178.2	-67.1	-66.4	-28.3	0	0	112.1	N546 D819 R824 I825 Q826	N546-Q822 PolarHBondContact OD1-NE2 3.4Å; N546-Q822 PolarHBondContact OD1-OE1 2.96Å; D819-Q822 HydrophobicContact CB-CB 3.97Å; D819-Q822 HydrophobicContact CB-CG 4.06Å; D819-Q822 VanDerWaalsContact CG-CG 3.41Å; D819-Q822 PolarHBondContact O-N 2.91Å; D819-Q822 PolarHBondContact OD1-N 3.47Å; D819-Q822 WeakPolarHBondContact OD2-CG 3.25Å; Q822-R824 VanDerWaalsContact C-N 3.33Å; Q822-R824 PolarHBondContact O-N 3.05Å; Q822-I825 PolarHBondContact O-N 3Å; Q822-Q826 WeakPolarHBondContact O-CB 3.4Å; Q822-Q826 PolarHBondContact O-N 3.17Å
823	Q	83.7	Confident	86.2	Confident	71 Å²	71	62.1 Å²	62.1	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-44.6	173.7	-76.1	174.4	0.2	0	0	111.4	D819 V821 I825 Q826 E827	D819-Q823 WeakPolarHBondContact O-CB 3.44Å; D819-Q823 WeakPolarHBondContact O-CG 3.49Å; D819-Q823 PolarHBondContact O-N 3.36Å; V821-Q823 PolarHBondContact O-N 3.49Å; Q823-I825 VanDerWaalsContact C-N 3.34Å; Q823-I825 PolarHBondContact O-N 3.18Å; Q823-Q826 WeakPolarHBondContact O-CB 3.41Å; Q823-Q826 PolarHBondContact O-N 2.82Å; Q823-E827 WeakPolarHBondContact O-CG 3.38Å; Q823-E827 PolarHBondContact O-N 3.26Å
824	R	88.7	Confident	86.3	Confident	135 Å²	135	68.3 Å²	68.3	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-39.5	177.9	-177.7	55.3	-179.6	163.7	3	112.1	S820 V821 Q822 E827 L828	S820-R824 WeakPolarHBondContact O-CB 3.34Å; S820-R824 PolarHBondContact O-N 3.25Å; S820-R824 VanDerWaalsContact O-N 3.08Å; V821-R824 PolarHBondContact O-N 2.84Å; Q822-R824 VanDerWaalsContact C-N 3.33Å; Q822-R824 PolarHBondContact O-N 3.05Å; R824-E827 WeakPolarHBondContact CD-OE2 3.47Å; R824-E827 IonicContact CZ-OE2 2.71Å; R824-E827 IonicContact NH1-OE2 2.76Å; R824-E827 PolarHBondContact NH1-OE2 3.1Å; R824-E827 PolarHBondContact O-N 3.35Å; R824-L828 HydrophobicContact CG-CD1 4.45Å; R824-L828 VanDerWaalsContact O-CG 3.29Å; R824-L828 WeakPolarHBondContact O-CG 3.33Å; R824-L828 PolarHBondContact O-N 3.32Å; R824-L828 VanDerWaalsContact O-N 3.14Å
825	I	87.6	Confident	86.4	Confident	34 Å²	34	75.6 Å²	75.6	17%	0.174	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-43.1	176.3	-63.6	163.9	0	0	0	110.1	F547 L548 V821 Q822 Q823 E827 L828 V829	F547-I825 HydrophobicContact CB-CB 4.19Å; F547-I825 HydrophobicContact CB-CG2 3.39Å; F547-I825 HydrophobicContact CG-CG2 4.25Å; L548-I825 HydrophobicContact CD1-CD1 4.2Å; L548-I825 HydrophobicContact CD2-CD1 3.79Å; L548-I825 HydrophobicContact CG-CD1 3.85Å; V821-I825 HydrophobicContact CG1-CD1 3.82Å; V821-I825 VanDerWaalsContact O-CG1 3.27Å; V821-I825 WeakPolarHBondContact O-CG1 3.3Å; V821-I825 PolarHBondContact O-N 2.94Å; Q822-I825 PolarHBondContact O-N 3Å; Q823-I825 VanDerWaalsContact C-N 3.34Å; Q823-I825 PolarHBondContact O-N 3.18Å; I825-E827 PolarHBondContact O-N 3.44Å; I825-L828 WeakPolarHBondContact O-CB 3.06Å; I825-L828 PolarHBondContact O-N 2.84Å; I825-L828 VanDerWaalsContact O-N 3.14Å; I825-V829 HydrophobicContact CG2-CG2 4.16Å; I825-V829 WeakPolarHBondContact O-CG2 3.26Å; I825-V829 PolarHBondContact O-N 2.78Å
826	Q	85	Confident	86.8	Confident	50 Å²	50	75.9 Å²	75.9	23%	0.234	37%	0.37	C	S	.	.	H	α-helix	trans	-56.4	-48.6	175.3	-177.6	177.4	5.3	0	0	111.7	F547 Q822 Q823 L828 V829 C830	F547-Q826 HydrophobicContact CD2-CB 4.02Å; F547-Q826 HydrophobicContact CE1-CB 4.25Å; F547-Q826 HydrophobicContact CE1-CG 4.09Å; F547-Q826 HydrophobicContact CE2-CB 3.54Å; F547-Q826 HydrophobicContact CE2-CG 3.81Å; F547-Q826 HydrophobicContact CZ-CB 3.66Å; F547-Q826 HydrophobicContact CZ-CG 3.45Å; F547-Q826 VanDerWaalsContact CZ-CG 3.45Å; Q822-Q826 WeakPolarHBondContact O-CB 3.4Å; Q822-Q826 PolarHBondContact O-N 3.17Å; Q823-Q826 WeakPolarHBondContact O-CB 3.41Å; Q823-Q826 PolarHBondContact O-N 2.82Å; Q826-L828 VanDerWaalsContact C-N 3.28Å; Q826-L828 PolarHBondContact O-N 3.02Å; Q826-V829 PolarHBondContact O-N 3.39Å; Q826-C830 PolarHBondContact O-N 3.1Å; Q826-C830 PolarHBondContact O-SG 2.91Å
827	E	88.3	Confident	87.3	Confident	107 Å²	107	74.7 Å²	74.7	50%	0.5	38%	0.375	S	S	.	.	H	α-helix	trans	-55.6	-44.1	175.7	-72.6	169.7	-175.1	0	0	111.8	Q823 R824 I825 A831	Q823-E827 WeakPolarHBondContact O-CG 3.38Å; Q823-E827 PolarHBondContact O-N 3.26Å; R824-E827 WeakPolarHBondContact CD-OE2 3.47Å; R824-E827 IonicContact CZ-OE2 2.71Å; R824-E827 IonicContact NH1-OE2 2.76Å; R824-E827 PolarHBondContact NH1-OE2 3.1Å; R824-E827 PolarHBondContact O-N 3.35Å; I825-E827 PolarHBondContact O-N 3.44Å; E827-A831 WeakPolarHBondContact O-CB 3.39Å; E827-A831 PolarHBondContact O-N 3.36Å
828	L	90.3	Very high	87.8	Confident	92 Å²	92	78 Å²	78	48%	0.482	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-41.4	178.5	-69.6	171	0	0	0	112.2	R824 I825 Q826 Y832	R824-L828 HydrophobicContact CG-CD1 4.45Å; R824-L828 VanDerWaalsContact O-CG 3.29Å; R824-L828 WeakPolarHBondContact O-CG 3.33Å; R824-L828 PolarHBondContact O-N 3.32Å; R824-L828 VanDerWaalsContact O-N 3.14Å; I825-L828 WeakPolarHBondContact O-CB 3.06Å; I825-L828 PolarHBondContact O-N 2.84Å; I825-L828 VanDerWaalsContact O-N 3.14Å; Q826-L828 VanDerWaalsContact C-N 3.28Å; Q826-L828 PolarHBondContact O-N 3.02Å; L828-Y832 WeakPolarHBondContact O-CB 3.4Å; L828-Y832 PolarHBondContact O-N 3.47Å
829	V	85.9	Confident	88.7	Confident	43 Å²	43	79.3 Å²	79.3	26%	0.261	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-49.4	177.2	170.4	0	0	0	0	110.1	F547 I825 Q826 A831 Y832 E833	F547-V829 HydrophobicContact CD1-CB 4.45Å; F547-V829 HydrophobicContact CD1-CG1 4.49Å; F547-V829 HydrophobicContact CD1-CG2 4.23Å; I825-V829 HydrophobicContact CG2-CG2 4.16Å; I825-V829 WeakPolarHBondContact O-CG2 3.26Å; I825-V829 PolarHBondContact O-N 2.78Å; Q826-V829 PolarHBondContact O-N 3.39Å; V829-A831 PolarHBondContact O-N 3.08Å; V829-Y832 PolarHBondContact O-N 2.82Å; V829-Y832 VanDerWaalsContact O-N 3.15Å; V829-E833 HydrophobicContact CG1-CG 4.38Å; V829-E833 WeakPolarHBondContact O-CG 3.32Å; V829-E833 PolarHBondContact O-N 3.08Å
830	C	86.7	Confident	89.2	Confident	56 Å²	56	83.8 Å²	83.8	38%	0.378	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-43.3	178.2	-66.6	0	0	0	0	112	Q826 Y832 E833 E834	Q826-C830 PolarHBondContact O-N 3.1Å; Q826-C830 PolarHBondContact O-SG 2.91Å; C830-Y832 VanDerWaalsContact C-N 3.32Å; C830-Y832 PolarHBondContact O-N 3.27Å; C830-E833 PolarHBondContact O-N 3.24Å; C830-E834 PolarHBondContact O-N 3.1Å
831	A	91.1	Very high	90	Very high	55 Å²	55	84.1 Å²	84.1	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-36	176.6	0	0	0	0	0	112.5	E827 V829 R835	E827-A831 WeakPolarHBondContact O-CB 3.39Å; E827-A831 PolarHBondContact O-N 3.36Å; V829-A831 PolarHBondContact O-N 3.08Å; A831-R835 PolarHBondContact O-N 3.26Å; A831-R835 VanDerWaalsContact O-N 3.1Å
832	Y	91.4	Very high	90.6	Very high	160 Å²	160	86.7 Å²	86.7	63%	0.627	43%	0.431	S	S	*	.	H	α-helix	trans	-68.7	-45	175.5	-178.1	-97.3	0	0	0	111.9	L828 V829 C830 E834 R835 V836	L828-Y832 WeakPolarHBondContact O-CB 3.4Å; L828-Y832 PolarHBondContact O-N 3.47Å; V829-Y832 PolarHBondContact O-N 2.82Å; V829-Y832 VanDerWaalsContact O-N 3.15Å; C830-Y832 VanDerWaalsContact C-N 3.32Å; C830-Y832 PolarHBondContact O-N 3.27Å; Y832-E834 VanDerWaalsContact C-N 3.32Å; Y832-E834 PolarHBondContact O-N 2.8Å; Y832-R835 PolarHBondContact O-N 2.9Å; Y832-R835 VanDerWaalsContact O-N 3.17Å; Y832-V836 HydrophobicContact CD1-CG2 3.99Å; Y832-V836 HydrophobicContact CE1-CG2 3.56Å; Y832-V836 HydrophobicContact CE2-CG2 4.42Å; Y832-V836 WeakPolarHBondContact O-CG2 3.39Å; Y832-V836 PolarHBondContact O-N 2.76Å
833	E	89.3	Confident	90.9	Very high	119 Å²	119	90.8 Å²	90.8	56%	0.556	45%	0.453	S	S	*	.	H	α-helix	trans	-59.3	-42.3	176.2	-73.1	175.5	165.2	0	0	111.7	V829 C830 V836 A837	V829-E833 HydrophobicContact CG1-CG 4.38Å; V829-E833 WeakPolarHBondContact O-CG 3.32Å; V829-E833 PolarHBondContact O-N 3.08Å; C830-E833 PolarHBondContact O-N 3.24Å; E833-V836 PolarHBondContact O-N 3.14Å; E833-A837 PolarHBondContact O-N 2.97Å
834	E	92.8	Very high	91.4	Very high	132 Å²	132	90 Å²	90	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-61.1	-44.8	174.1	-173.1	178.2	-173	0	0	111.7	C830 Y832 V836 A837 I838	C830-E834 PolarHBondContact O-N 3.1Å; Y832-E834 VanDerWaalsContact C-N 3.32Å; Y832-E834 PolarHBondContact O-N 2.8Å; E834-V836 PolarHBondContact O-N 2.7Å; E834-A837 PolarHBondContact O-N 3.11Å; E834-I838 HydrophobicContact CG-CD1 4.19Å; E834-I838 WeakPolarHBondContact O-CG1 3.33Å; E834-I838 PolarHBondContact O-N 3.36Å
835	R	93	Very high	91.6	Very high	156 Å²	156	91.9 Å²	91.9	59%	0.589	46%	0.462	S	S	*	.	H	α-helix	trans	-62.7	-40.8	176.4	-173	173.5	179.2	138.7	0.8	111.9	A831 Y832 I838 L839	A831-R835 PolarHBondContact O-N 3.26Å; A831-R835 VanDerWaalsContact O-N 3.1Å; Y832-R835 PolarHBondContact O-N 2.9Å; Y832-R835 VanDerWaalsContact O-N 3.17Å; R835-I838 PolarHBondContact O-N 3.38Å; R835-L839 HydrophobicContact CG-CD1 4.23Å; R835-L839 WeakPolarHBondContact O-CB 2.94Å; R835-L839 VanDerWaalsContact O-CG 3.3Å; R835-L839 WeakPolarHBondContact O-CG 2.94Å; R835-L839 PolarHBondContact O-N 2.82Å
836	V	93.8	Very high	91.8	Very high	45 Å²	45	92.6 Å²	92.6	27%	0.273	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-45.5	175.6	170.2	0	0	0	0	110.5	Y832 E833 E834 I838 L839 Q840	Y832-V836 HydrophobicContact CD1-CG2 3.99Å; Y832-V836 HydrophobicContact CE1-CG2 3.56Å; Y832-V836 HydrophobicContact CE2-CG2 4.42Å; Y832-V836 WeakPolarHBondContact O-CG2 3.39Å; Y832-V836 PolarHBondContact O-N 2.76Å; E833-V836 PolarHBondContact O-N 3.14Å; E834-V836 PolarHBondContact O-N 2.7Å; V836-I838 VanDerWaalsContact C-N 3.35Å; V836-I838 PolarHBondContact O-N 3.19Å; V836-L839 PolarHBondContact O-N 3.1Å; V836-Q840 HydrophobicContact CG1-CG 4.31Å; V836-Q840 WeakPolarHBondContact O-CB 3.41Å; V836-Q840 WeakPolarHBondContact O-CG 3.37Å; V836-Q840 PolarHBondContact O-N 3.47Å
837	A	93.9	Very high	92.1	Very high	56 Å²	56	95.8 Å²	95.8	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-43.2	177.4	0	0	0	0	0	111.9	E833 E834 Q840 A841	E833-A837 PolarHBondContact O-N 2.97Å; E834-A837 PolarHBondContact O-N 3.11Å; A837-Q840 PolarHBondContact O-N 3.35Å; A837-A841 WeakPolarHBondContact O-CB 3.18Å; A837-A841 PolarHBondContact O-N 2.92Å
838	I	95.2	Very high	92.3	Very high	86 Å²	86	96.6 Å²	96.6	44%	0.441	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-44.4	175.6	-68.1	166.2	0	0	0	111.2	E834 R835 V836 A841 K842	E834-I838 HydrophobicContact CG-CD1 4.19Å; E834-I838 WeakPolarHBondContact O-CG1 3.33Å; E834-I838 PolarHBondContact O-N 3.36Å; R835-I838 PolarHBondContact O-N 3.38Å; V836-I838 VanDerWaalsContact C-N 3.35Å; V836-I838 PolarHBondContact O-N 3.19Å; I838-A841 PolarHBondContact O-N 3.24Å; I838-K842 HydrophobicContact CG2-CD 4.4Å; I838-K842 WeakPolarHBondContact O-CG 3.39Å; I838-K842 PolarHBondContact O-N 3.39Å
839	L	94.9	Very high	92.2	Very high	96 Å²	96	95.8 Å²	95.8	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-40.4	179.2	-72.9	172.5	0	0	0	112	R835 V836 A841 K842 L843	R835-L839 HydrophobicContact CG-CD1 4.23Å; R835-L839 WeakPolarHBondContact O-CB 2.94Å; R835-L839 VanDerWaalsContact O-CG 3.3Å; R835-L839 WeakPolarHBondContact O-CG 2.94Å; R835-L839 PolarHBondContact O-N 2.82Å; V836-L839 PolarHBondContact O-N 3.1Å; L839-A841 VanDerWaalsContact C-N 3.35Å; L839-K842 PolarHBondContact O-N 3.4Å; L839-L843 WeakPolarHBondContact O-CB 3.02Å; L839-L843 PolarHBondContact O-N 3.48Å
840	Q	94.3	Very high	92.4	Very high	126 Å²	126	98.3 Å²	98.3	59%	0.589	50%	0.501	S	S	*	.	H	α-helix	trans	-62.2	-41.9	173.9	-74.4	175.2	-14.5	0	0	111.5	V836 A837 L843 C844	V836-Q840 HydrophobicContact CG1-CG 4.31Å; V836-Q840 WeakPolarHBondContact O-CB 3.41Å; V836-Q840 WeakPolarHBondContact O-CG 3.37Å; V836-Q840 PolarHBondContact O-N 3.47Å; A837-Q840 PolarHBondContact O-N 3.35Å; Q840-L843 PolarHBondContact O-N 3.15Å; Q840-C844 WeakPolarHBondContact O-CB 3.48Å; Q840-C844 PolarHBondContact O-N 3.39Å
841	A	94.3	Very high	92.2	Very high	47 Å²	47	99.4 Å²	99.4	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-41.5	175.1	0	0	0	0	0	112.1	A837 I838 L839 C844 R845	A837-A841 WeakPolarHBondContact O-CB 3.18Å; A837-A841 PolarHBondContact O-N 2.92Å; I838-A841 PolarHBondContact O-N 3.24Å; L839-A841 VanDerWaalsContact C-N 3.35Å; A841-C844 PolarHBondContact O-N 3.15Å; A841-R845 WeakPolarHBondContact O-CG 3.45Å; A841-R845 PolarHBondContact O-N 3.17Å; A841-R845 VanDerWaalsContact O-N 3.08Å
842	K	95.2	Very high	91.7	Very high	134 Å²	134	99.3 Å²	99.3	58%	0.583	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-42.6	174.5	-74.1	-178.9	179.4	-176.9	0	112.1	I838 L839 R845 A846	I838-K842 HydrophobicContact CG2-CD 4.4Å; I838-K842 WeakPolarHBondContact O-CG 3.39Å; I838-K842 PolarHBondContact O-N 3.39Å; L839-K842 PolarHBondContact O-N 3.4Å; K842-R845 PolarHBondContact O-N 3.46Å; K842-A846 WeakPolarHBondContact O-CB 3.3Å; K842-A846 PolarHBondContact O-N 3.29Å
843	L	94.5	Very high	91.2	Very high	106 Å²	106	96.7 Å²	96.7	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-60.1	-46.7	176.2	-170.9	86.5	0	0	0	111	L839 Q840 R845 A846 Q847	L839-L843 WeakPolarHBondContact O-CB 3.02Å; L839-L843 PolarHBondContact O-N 3.48Å; Q840-L843 PolarHBondContact O-N 3.15Å; L843-R845 PolarHBondContact O-N 3.18Å; L843-A846 PolarHBondContact O-N 3.39Å; L843-Q847 WeakPolarHBondContact O-CG 3.45Å; L843-Q847 PolarHBondContact O-N 3.2Å
844	C	94	Very high	90.5	Very high	56 Å²	56	95.4 Å²	95.4	38%	0.378	50%	0.495	S	S	.	.	H	α-helix	trans	-59	-45.4	177.3	-177.6	0	0	0	0	111.6	Q840 A841 A846 Q847 Q848	Q840-C844 WeakPolarHBondContact O-CB 3.48Å; Q840-C844 PolarHBondContact O-N 3.39Å; A841-C844 PolarHBondContact O-N 3.15Å; C844-A846 PolarHBondContact O-N 3.24Å; C844-Q847 PolarHBondContact O-N 3.43Å; C844-Q848 WeakPolarHBondContact O-CG 3.18Å; C844-Q848 PolarHBondContact O-N 2.9Å
845	R	93.2	Very high	89.1	Confident	174 Å²	174	92.8 Å²	92.8	66%	0.657	49%	0.49	S	S	*	.	H	α-helix	trans	-61.8	-44.1	175	-71.5	177.6	-174.6	175.2	3	112.3	A841 K842 L843 Q847 Q848 T849	A841-R845 WeakPolarHBondContact O-CG 3.45Å; A841-R845 PolarHBondContact O-N 3.17Å; A841-R845 VanDerWaalsContact O-N 3.08Å; K842-R845 PolarHBondContact O-N 3.46Å; L843-R845 PolarHBondContact O-N 3.18Å; R845-Q847 PolarHBondContact O-N 3.05Å; R845-Q848 PolarHBondContact O-N 3.39Å; R845-T849 PolarHBondContact O-N 3.21Å; R845-T849 PolarHBondContact O-OG1 2.91Å; R845-T849 VanDerWaalsContact O-OG1 3.09Å
846	A	91.1	Very high	87.9	Confident	48 Å²	48	89.7 Å²	89.7	40%	0.397	49%	0.485	S	S	.	.	H	α-helix	trans	-62.5	-42.1	177.8	0	0	0	0	0	111.9	K842 L843 C844 Q848 T849 I850	K842-A846 WeakPolarHBondContact O-CB 3.3Å; K842-A846 PolarHBondContact O-N 3.29Å; L843-A846 PolarHBondContact O-N 3.39Å; C844-A846 PolarHBondContact O-N 3.24Å; A846-Q848 PolarHBondContact O-N 3.49Å; A846-T849 PolarHBondContact O-N 3.3Å; A846-I850 WeakPolarHBondContact O-CG1 3.3Å; A846-I850 PolarHBondContact O-N 2.89Å
847	Q	92	Very high	86.5	Confident	117 Å²	117	89.7 Å²	89.7	55%	0.547	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-41.5	175.1	-73.7	173.2	-19.1	0	0	112	L843 C844 R845 I850 S851	L843-Q847 WeakPolarHBondContact O-CG 3.45Å; L843-Q847 PolarHBondContact O-N 3.2Å; C844-Q847 PolarHBondContact O-N 3.43Å; R845-Q847 PolarHBondContact O-N 3.05Å; Q847-I850 PolarHBondContact O-N 3.46Å; Q847-S851 WeakPolarHBondContact O-CB 3.47Å; Q847-S851 PolarHBondContact O-N 3.33Å
848	Q	90.8	Very high	84.7	Confident	124 Å²	124	88.7 Å²	88.7	58%	0.579	48%	0.478	S	S	*	.	H	α-helix	trans	-62.1	-44.5	174.9	-72.3	172.5	-6.4	0	0	111.8	C844 R845 A846 S851 A852	C844-Q848 WeakPolarHBondContact O-CG 3.18Å; C844-Q848 PolarHBondContact O-N 2.9Å; R845-Q848 PolarHBondContact O-N 3.39Å; A846-Q848 PolarHBondContact O-N 3.49Å; Q848-S851 PolarHBondContact O-N 3.31Å; Q848-A852 WeakPolarHBondContact O-CB 3.22Å; Q848-A852 PolarHBondContact O-N 2.9Å
849	T	89.7	Confident	82.9	Confident	76 Å²	76	89.7 Å²	89.7	47%	0.466	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.7	-55.6	0	0	0	0	112.1	R845 A846 S851 A852 H853	R845-T849 PolarHBondContact O-N 3.21Å; R845-T849 PolarHBondContact O-OG1 2.91Å; R845-T849 VanDerWaalsContact O-OG1 3.09Å; A846-T849 PolarHBondContact O-N 3.3Å; T849-S851 PolarHBondContact O-N 3.33Å; T849-A852 PolarHBondContact O-N 3.38Å; T849-H853 PolarHBondContact O-N 2.98Å
850	I	88.7	Confident	80.9	Confident	95 Å²	95	90.2 Å²	90.2	49%	0.487	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-43.1	176.6	-68.8	167	0	0	0	110.8	A846 Q847 A852 H853 K854	A846-I850 WeakPolarHBondContact O-CG1 3.3Å; A846-I850 PolarHBondContact O-N 2.89Å; Q847-I850 PolarHBondContact O-N 3.46Å; I850-A852 VanDerWaalsContact C-N 3.34Å; I850-A852 PolarHBondContact O-N 3.03Å; I850-H853 PolarHBondContact O-N 3.18Å; I850-K854 PolarHBondContact O-N 2.95Å
851	S	83.5	Confident	78.9	Confident	80 Å²	80	87.2 Å²	87.2	56%	0.559	48%	0.48	S	S	*	.	H	α-helix	trans	-60.8	-42.9	176.2	-171.4	0	0	0	0	111.7	Q847 Q848 T849 K854 C855	Q847-S851 WeakPolarHBondContact O-CB 3.47Å; Q847-S851 PolarHBondContact O-N 3.33Å; Q848-S851 PolarHBondContact O-N 3.31Å; T849-S851 PolarHBondContact O-N 3.33Å; S851-K854 PolarHBondContact O-N 3.14Å; S851-C855 PolarHBondContact O-N 3.48Å
852	A	80.4	Confident	76.7	Confident	52 Å²	52	91.5 Å²	91.5	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-44.1	175.2	0	0	0	0	0	112.2	Q848 T849 I850 C855 I856	Q848-A852 WeakPolarHBondContact O-CB 3.22Å; Q848-A852 PolarHBondContact O-N 2.9Å; T849-A852 PolarHBondContact O-N 3.38Å; I850-A852 VanDerWaalsContact C-N 3.34Å; I850-A852 PolarHBondContact O-N 3.03Å; A852-C855 WeakPolarHBondContact O-CB 3.5Å; A852-C855 PolarHBondContact O-N 3.27Å; A852-I856 WeakPolarHBondContact O-CG1 3.41Å; A852-I856 PolarHBondContact O-N 3.36Å
853	H	80	Confident	74.5	Confident	106 Å²	106	87.9 Å²	87.9	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-66.3	-38.1	176.6	-77.1	-177.9	0	0	0	113.2	T849 I850 C855 I856 I857	T849-H853 PolarHBondContact O-N 2.98Å; I850-H853 PolarHBondContact O-N 3.18Å; H853-C855 VanDerWaalsContact C-N 3.27Å; H853-C855 PolarHBondContact O-N 3.48Å; H853-I856 PolarHBondContact O-N 3.05Å; H853-I856 VanDerWaalsContact O-N 3.11Å; H853-I857 WeakPolarHBondContact O-CG1 3.4Å; H853-I857 PolarHBondContact O-N 2.81Å
854	K	74.6	Confident	71.8	Confident	91 Å²	91	89.5 Å²	89.5	40%	0.396	49%	0.494	S	S	.	.	H	α-helix	trans	-58	-40.3	173.2	-86.7	-171.1	173.6	-173.5	0	111.9	I850 S851 I856 G858	I850-K854 PolarHBondContact O-N 2.95Å; S851-K854 PolarHBondContact O-N 3.14Å; K854-I856 VanDerWaalsContact C-N 3.34Å; K854-G858 PolarHBondContact O-N 3.25Å
855	C	63.3	Low	69.3	Low	78 Å²	78	95.1 Å²	95.1	53%	0.527	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-39.9	175.6	-168.2	0	0	0	0	111.8	S851 A852 H853 N859	S851-C855 PolarHBondContact O-N 3.48Å; A852-C855 WeakPolarHBondContact O-CB 3.5Å; A852-C855 PolarHBondContact O-N 3.27Å; H853-C855 VanDerWaalsContact C-N 3.27Å; H853-C855 PolarHBondContact O-N 3.48Å; C855-N859 VanDerWaalsContact O-CG 3.28Å; C855-N859 PolarHBondContact O-N 3.28Å; C855-N859 VanDerWaalsContact O-N 3.12Å; C855-N859 PolarHBondContact O-ND2 3.48Å
856	I	68.3	Low	66.6	Low	91 Å²	91	92.7 Å²	92.7	47%	0.467	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-44.6	178.3	-65.7	168.1	0	0	0	111.6	A852 H853 K854 N859 L860	A852-I856 WeakPolarHBondContact O-CG1 3.41Å; A852-I856 PolarHBondContact O-N 3.36Å; H853-I856 PolarHBondContact O-N 3.05Å; H853-I856 VanDerWaalsContact O-N 3.11Å; K854-I856 VanDerWaalsContact C-N 3.34Å; I856-N859 PolarHBondContact O-N 3.47Å; I856-N859 VanDerWaalsContact O-N 3.17Å; I856-L860 HydrophobicContact CG2-CD1 3.8Å; I856-L860 PolarHBondContact O-N 2.92Å
857	I	64.8	Low	63.7	Low	44 Å²	44	99.5 Å²	99.5	23%	0.226	55%	0.545	C	S	.	.	H	α-helix	trans	-68.9	-37.6	179.1	-63.5	168.6	0	0	0	111.2	E661 M664 H853 N859 L860 S861	E661-I857 HydrophobicContact CG-CG2 4.43Å; M664-I857 HydrophobicContact CE-CD1 3.45Å; M664-I857 VanDerWaalsContact CE-CD1 3.45Å; M664-I857 HydrophobicContact SD-CD1 3.38Å; M664-I857 WeakPolarHBondContact SD-CD1 3.4Å; H853-I857 WeakPolarHBondContact O-CG1 3.4Å; H853-I857 PolarHBondContact O-N 2.81Å; I857-N859 PolarHBondContact O-N 3.2Å; I857-L860 PolarHBondContact O-N 2.85Å; I857-S861 PolarHBondContact O-N 3.05Å; I857-S861 PolarHBondContact O-OG 3.14Å
858	G	56.5	Low	61.2	Low	36 Å²	36	99.5 Å²	99.5	37%	0.371	56%	0.555	S	S	.	*	H	α-helix	trans	-59.7	-32.5	171.2	0	0	0	0	0	113	K854 S861	K854-G858 PolarHBondContact O-N 3.25Å; G858-S861 PolarHBondContact O-OG 2.76Å; G858-S861 VanDerWaalsContact O-OG 3.08Å
859	N	57	Low	58.4	Low	106 Å²	106	98.1 Å²	98.1	57%	0.567	57%	0.565	S	S	*	*	H	α-helix	trans	-80.9	-34.6	175.9	-71.3	-22.1	0	0	0	113	C855 I856 I857 N862 A863	C855-N859 VanDerWaalsContact O-CG 3.28Å; C855-N859 PolarHBondContact O-N 3.28Å; C855-N859 VanDerWaalsContact O-N 3.12Å; C855-N859 PolarHBondContact O-ND2 3.48Å; I856-N859 PolarHBondContact O-N 3.47Å; I856-N859 VanDerWaalsContact O-N 3.17Å; I857-N859 PolarHBondContact O-N 3.2Å; N859-N862 PolarHBondContact O-N 3.27Å; N859-A863 PolarHBondContact O-N 2.9Å
860	L	52.9	Low	55.7	Low	107 Å²	107	99.2 Å²	99.2	56%	0.56	58%	0.582	S	S	*	*	H	α-helix	trans	-71.3	-34.7	177.5	-82.8	158.7	0	0	0	113	I856 I857 N862 A863	I856-L860 HydrophobicContact CG2-CD1 3.8Å; I856-L860 PolarHBondContact O-N 2.92Å; I857-L860 PolarHBondContact O-N 2.85Å; L860-N862 PolarHBondContact O-N 2.81Å; L860-A863 PolarHBondContact O-N 3.35Å
861	S	52.3	Low	52.9	Low	63 Å²	63	100.2 Å²	100.2	44%	0.441	60%	0.597	S	S	.	*	H	α-helix	trans	-63	-28.5	172.9	48.5	0	0	0	0	112.3	I857 G858	I857-S861 PolarHBondContact O-N 3.05Å; I857-S861 PolarHBondContact O-OG 3.14Å; G858-S861 PolarHBondContact O-OG 2.76Å; G858-S861 VanDerWaalsContact O-OG 3.08Å
862	N	48.1	Very low	50.6	Low	138 Å²	138	106.1 Å²	106.1	74%	0.738	61%	0.613	S	S	*	*	H	α-helix	trans	-81.5	-13.9	171.8	-77.4	-22.3	0	0	0	114.5	N859 L860	N859-N862 PolarHBondContact O-N 3.27Å; L860-N862 PolarHBondContact O-N 2.81Å
863	A	48	Very low	48.3	Very low	58 Å²	58	108.9 Å²	108.9	48%	0.479	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	2.9	-175.9	0	0	0	0	0	114.6	N859 L860 H865	N859-A863 PolarHBondContact O-N 2.9Å; L860-A863 PolarHBondContact O-N 3.35Å; A863-H865 PolarHBondContact O-N 2.77Å
864	K	39.5	Very low	45.8	Very low	139 Å²	139	110.6 Å²	110.6	60%	0.604	64%	0.639	S	S	*	*			trans	-68.6	7.6	176.6	-81.8	-177	-179.4	163.2	0	115.3
865	H	40.4	Very low	43.7	Very low	174 Å²	174	112.4 Å²	112.4	81%	0.806	65%	0.653	S	S	*	*	S	Bend	trans	-122.1	74.7	169.3	-72.9	-63.3	0	0	0	111.3	A863	A863-H865 PolarHBondContact O-N 2.77Å
866	T	37.6	Very low	42.1	Very low	124 Å²	124	117.3 Å²	117.3	76%	0.761	67%	0.673	S	S	*	*			trans	-174.1	101.4	147	14.7	0	0	0	0	110.4	P868	T866-P868 WeakPolarHBondContact O-CD 3.38Å
867	M	29.6	Very low	40	Very low	190 Å²	190	121.5 Å²	121.5	94%	0.936	69%	0.688	S	S	*	*			trans	-91.6	122	161.1	-76.9	-77.1	-72.6	0	0	108.2
868	P	39.6	Very low	38.2	Very low	117 Å²	117	127.5 Å²	127.5	76%	0.76	72%	0.719	S	S	*	*			trans	-117.7	132.8	153.2	10.8	10.1	0	0	0	111	T866	T866-P868 WeakPolarHBondContact O-CD 3.38Å
869	A	32.7	Very low	36.8	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	74%	0.743	S	S	*	*			trans	-72.1	142.2	-174.4	0	0	0	0	0	114
870	A	31.9	Very low	35.4	Very low	100 Å²	100	137 Å²	137	83%	0.826	76%	0.756	S	S	*	*			trans	50.7	113.9	134.4	0	0	0	0	0	120.4
871	S	31	Very low	34.2	Very low	116 Å²	116	140 Å²	140	81%	0.811	77%	0.772	S	S	*	*			trans	-160.1	116.8	136.5	55.4	0	0	0	0	111
872	K	34.6	Very low	33	Very low	204 Å²	204	141 Å²	141	89%	0.887	78%	0.784	S	S	*	*			trans	-70.9	146.6	164.4	-76.5	178.4	169.9	-176.5	0	110.3
873	P	31.3	Very low	32	Very low	109 Å²	109	143.1 Å²	143.1	71%	0.708	80%	0.795	S	S	*	*				-143.1	126	117.8	26.9	-7.5	0	0	0	112.2
874	D	29	Very low	31	Very low	143 Å²	143	149 Å²	149	77%	0.765	81%	0.812	S	S	*	*				70.7	95.9	96.2	-70.2	-11.3	0	0	0	113.2
875	D	30.5	Very low	30.8	Very low	129 Å²	129	148.1 Å²	148.1	69%	0.69	82%	0.821	S	S	*	*				73.1	90.6	91.4	-99.1	9.8	0	0	0	113.4
876	L	27.9	Very low	30.1	Very low	181 Å²	181	145.2 Å²	145.2	95%	0.948	82%	0.82	S	S	*	*			trans	-132.8	100.3	155.2	-89	166	0	0	0	109.6
877	K	25.4	Very low	29.6	Very low	179 Å²	179	144.3 Å²	144.3	78%	0.778	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65	127.7	178.5	-64.2	165.6	177.6	173.3	0	110
878	L	26.2	Very low	29.3	Very low	169 Å²	169	145 Å²	145	89%	0.885	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-103.1	123	159.2	-147.3	83.5	0	0	0	107.2	N880	L878-N880 PolarHBondContact O-N 2.71Å
879	E	27.3	Very low	28.7	Very low	184 Å²	184	146.7 Å²	146.7	86%	0.86	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.9	126.2	-171.2	-73.2	168.6	143.9	0	0	111.7
880	N	27	Very low	28.4	Very low	158 Å²	158	147.1 Å²	147.1	85%	0.845	81%	0.813	S	S	*	*			trans	-87.9	110.9	170.1	-73.8	-34	0	0	0	108.1	L878 A882	L878-N880 PolarHBondContact O-N 2.71Å; N880-A882 PolarHBondContact O-N 3.19Å
881	D	28.4	Very low	28.2	Very low	170 Å²	170	151.8 Å²	151.8	91%	0.909	81%	0.814	S	S	*	*			trans	-78.4	112.2	163.4	-85.7	-32	0	0	0	109.5
882	A	26.5	Very low	28.1	Very low	84 Å²	84	151.4 Å²	151.4	69%	0.694	82%	0.818	S	S	*	*			trans	-70.7	132.6	-179.1	0	0	0	0	0	111.8	N880	N880-A882 PolarHBondContact O-N 3.19Å
883	L	27.5	Very low	27.9	Very low	182 Å²	182	147 Å²	147	95%	0.953	81%	0.813	S	S	*	*			trans	-127.7	120.2	148.6	-88.1	161.9	0	0	0	107.6
884	E	27.8	Very low	27.8	Very low	181 Å²	181	150.3 Å²	150.3	85%	0.846	82%	0.819	S	S	*	*			trans	-70.4	161	-162.8	-79	-159.8	154.4	0	0	115.6
885	P	33.7	Very low	27.9	Very low	122 Å²	122	148.4 Å²	148.4	79%	0.792	82%	0.817	S	S	*	*			trans	-96.3	127.3	-164.4	34.8	-26.5	0	0	0	112.9
886	S	27.7	Very low	27.9	Very low	113 Å²	113	149.9 Å²	149.9	79%	0.79	83%	0.825	S	S	*	*			trans	-92.9	103.4	164.8	61.1	0	0	0	0	110.9
887	S	26.2	Very low	28.2	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	80%	0.804	S	S	*	*			trans	35.1	109.3	142.8	64.9	0	0	0	0	120.2
888	Y	23.4	Very low	28.6	Very low	204 Å²	204	142.3 Å²	142.3	80%	0.8	81%	0.806	S	S	*	*				47.4	102.1	118.7	-134.2	-90.2	0	0	0	117.7
889	D	27.4	Very low	29.3	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	80%	0.795	S	S	*	*				-163.6	128.2	118	-115.6	-16.9	0	0	0	112.5	K891	D889-K891 PolarHBondContact O-N 2.82Å
890	S	25.9	Very low	29.8	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	79%	0.794	S	S	*	*			trans	-76.6	105.5	179.5	-52.1	0	0	0	0	110.7
891	K	28.5	Very low	30.6	Very low	197 Å²	197	139.2 Å²	139.2	86%	0.857	79%	0.791	S	S	*	*			trans	-129.6	108.6	152.6	-76.7	-171.5	179.2	174.9	0	108.3	D889 S893	D889-K891 PolarHBondContact O-N 2.82Å; K891-S893 PolarHBondContact O-N 3.23Å
892	A	29	Very low	31.1	Very low	108 Å²	108	137 Å²	137	89%	0.893	78%	0.779	S	S	*	*			trans	-51.7	97.2	174.1	0	0	0	0	0	109.7	Q894	A892-Q894 PolarHBondContact O-N 2.86Å
893	S	28.8	Very low	31.9	Very low	112 Å²	112	139.9 Å²	139.9	78%	0.783	78%	0.783	S	S	*	*			trans	-76.5	121.9	169.7	60.1	0	0	0	0	107.6	K891 S895	K891-S893 PolarHBondContact O-N 3.23Å; S893-S895 PolarHBondContact O-N 2.98Å
894	Q	29.2	Very low	32.9	Very low	178 Å²	178	138.1 Å²	138.1	83%	0.832	77%	0.77	S	S	*	*			trans	-44.7	130.5	172.5	-69.2	162.7	-16.8	0	0	109.8	A892 D896	A892-Q894 PolarHBondContact O-N 2.86Å; Q894-D896 PolarHBondContact O-N 2.79Å
895	S	31	Very low	33.8	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	77%	0.769	S	S	*	*			trans	-65.7	101.6	173.9	52.4	0	0	0	0	108.4	S893 T897	S893-S895 PolarHBondContact O-N 2.98Å; S895-T897 PolarHBondContact O-N 2.8Å
896	D	30.5	Very low	34.4	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	77%	0.767	S	S	*	*			trans	-66	83.7	164.5	-81.8	-27	0	0	0	108	Q894 S898	Q894-D896 PolarHBondContact O-N 2.79Å; D896-S898 PolarHBondContact O-N 3.26Å
897	T	34.7	Very low	35.2	Very low	84 Å²	84	135.2 Å²	135.2	52%	0.515	75%	0.746	S	S	.	*			trans	-62.7	106.2	165.2	39	0	0	0	0	107.5	S895 W899	S895-T897 PolarHBondContact O-N 2.8Å; T897-W899 PolarHBondContact O-N 2.81Å; T897-W899 VanDerWaalsContact O-N 3.1Å; T897-W899 PolarHBondContact O-NE1 2.93Å; T897-W899 PolarHBondContact OG1-NE1 3.25Å
898	S	33.4	Very low	36.7	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	75%	0.748	S	S	*	*			trans	-63.3	101.6	174.7	174.1	0	0	0	0	109.9	D896 E900	D896-S898 PolarHBondContact O-N 3.26Å; S898-E900 PolarHBondContact O-N 2.98Å
899	W	40.8	Very low	38.9	Very low	169 Å²	169	131.1 Å²	131.1	64%	0.64	74%	0.74	S	S	*	*			trans	-80.1	116.9	177.2	-59.9	101.4	0	0	0	110.2	T897 A901	T897-W899 PolarHBondContact O-N 2.81Å; T897-W899 VanDerWaalsContact O-N 3.1Å; T897-W899 PolarHBondContact O-NE1 2.93Å; T897-W899 PolarHBondContact OG1-NE1 3.25Å; W899-A901 PolarHBondContact O-N 3.21Å
900	E	38.5	Very low	41.4	Very low	181 Å²	181	125.4 Å²	125.4	85%	0.846	71%	0.71	S	S	*	*			trans	-67	128.4	167.4	-71.8	-173.8	156	0	0	109.4	S898 L902	S898-E900 PolarHBondContact O-N 2.98Å; E900-L902 PolarHBondContact O-N 3.11Å
901	A	43.2	Very low	44	Very low	96 Å²	96	131.2 Å²	131.2	79%	0.793	72%	0.716	S	S	*	*			trans	-67	113.4	178.9	0	0	0	0	0	109.9	W899	W899-A901 PolarHBondContact O-N 3.21Å
902	L	38.6	Very low	46.9	Very low	125 Å²	125	127.7 Å²	127.7	65%	0.654	70%	0.697	S	S	*	*			trans	-66.9	130.1	172.6	-70.9	167.2	0	0	0	110.2	E900 R907	E900-L902 PolarHBondContact O-N 3.11Å; L902-R907 PolarHBondContact O-NH2 2.91Å
903	D	45	Very low	49.7	Very low	144 Å²	144	124.9 Å²	124.9	77%	0.77	67%	0.667	S	S	*	*			trans	-52.2	137.4	-178.8	-91.9	-36.3	0	0	0	112.6	A905	D903-A905 PolarHBondContact O-N 2.84Å; D903-A905 VanDerWaalsContact O-N 3.12Å
904	E	48.8	Very low	52.4	Low	145 Å²	145	122.7 Å²	122.7	68%	0.678	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-68.4	-14	-170.4	-155.2	135.8	-127.4	0	0	113.7	E906 R907	E904-E906 PolarHBondContact O-N 2.83Å; E904-R907 IonicContact OE1-CZ 3.58Å; E904-R907 IonicContact OE1-NH1 3.61Å; E904-R907 PolarHBondContact OE1-NH1 3.09Å
905	A	46.3	Very low	55.1	Low	101 Å²	101	118 Å²	118	84%	0.835	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-76	-13.3	-175.2	0	0	0	0	0	115	D903	D903-A905 PolarHBondContact O-N 2.84Å; D903-A905 VanDerWaalsContact O-N 3.12Å
906	E	44.8	Very low	57.6	Low	159 Å²	159	120.2 Å²	120.2	74%	0.743	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-103.9	4.8	-179.9	-71.1	-163.8	143.7	0	0	114.5	E904 V908	E904-E906 PolarHBondContact O-N 2.83Å; E906-V908 PolarHBondContact O-N 3.39Å
907	R	45.6	Very low	60.1	Low	95 Å²	95	115.8 Å²	115.8	36%	0.358	62%	0.615	S	S	.	*			trans	-86.8	98.4	-174.3	-57.8	-174.8	-165.5	153.2	4.5	112	L902 E904 P909 Q959	L902-R907 PolarHBondContact O-NH2 2.91Å; E904-R907 IonicContact OE1-CZ 3.58Å; E904-R907 IonicContact OE1-NH1 3.61Å; E904-R907 PolarHBondContact OE1-NH1 3.09Å; R907-P909 WeakPolarHBondContact O-CD 3.21Å; R907-Q959 VanDerWaalsContact NH1-NE2 3.16Å
908	V	58.6	Low	62.5	Low	127 Å²	127	112.5 Å²	112.5	77%	0.77	59%	0.594	S	S	*	*			trans	-89.7	110.8	165.8	-177.3	0	0	0	0	108	E906 T910	E906-V908 PolarHBondContact O-N 3.39Å; V908-T910 PolarHBondContact O-N 3.28Å
909	P	69.2	Low	65.3	Low	96 Å²	96	112.2 Å²	112.2	62%	0.623	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-60.4	133.1	-178.7	22.2	-31.1	0	0	0	110.6	R907 R911	R907-P909 WeakPolarHBondContact O-CD 3.21Å; P909-R911 PolarHBondContact O-N 3.47Å
910	T	79	Confident	67.9	Low	31 Å²	31	109.9 Å²	109.9	19%	0.19	57%	0.571	C	S	.	*	P	Polyproline II helix	trans	-55.6	122	179.1	-70.6	0	0	0	0	110.1	V908 S939 E958	V908-T910 PolarHBondContact O-N 3.28Å; T910-S939 PolarHBondContact OG1-O 3.01Å; T910-E958 WeakPolarHBondContact CB-OE1 3.34Å; T910-E958 PolarHBondContact N-OE1 3.47Å; T910-E958 PolarHBondContact N-OE2 3.24Å; T910-E958 VanDerWaalsContact OG1-CD 3.26Å; T910-E958 PolarHBondContact OG1-OE1 3.42Å
911	R	80.4	Confident	70.6	Confident	228 Å²	228	101.4 Å²	101.4	86%	0.86	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-79.1	121.5	175.8	-82	-176.2	175.9	177.9	-0.1	110.7	P909	P909-R911 PolarHBondContact O-N 3.47Å
912	W	90.3	Very high	73.1	Confident	122 Å²	122	100.7 Å²	100.7	46%	0.462	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-87	132.3	179.3	-71.4	57.5	0	0	0	111.2	P914 H936 R938	W912-P914 WeakPolarHBondContact O-CD 3.17Å; W912-H936 HydrophobicContact CD2-CB 4.44Å; W912-H936 HydrophobicContact CE3-CB 3.48Å; W912-H936 VanDerWaalsContact CE3-CB 3.48Å; W912-H936 AromaticContact CE3-CD2 3.49Å; W912-H936 VanDerWaalsContact CE3-CD2 3.49Å; W912-H936 AromaticContact CE3-CG 3.38Å; W912-H936 HydrophobicContact CH2-CB 3.93Å; W912-H936 HydrophobicContact CZ3-CB 3.2Å; W912-H936 AromaticContact CZ3-CG 3.49Å; W912-H936 VanDerWaalsContact CZ3-CG 3.49Å; W912-H936 AromaticContact CZ3-ND1 3.98Å; W912-R938 HydrophobicContact CH2-CG 3.96Å; W912-R938 HydrophobicContact CZ2-CG 4.01Å
913	I	86.5	Confident	75.6	Confident	49 Å²	49	97.2 Å²	97.2	25%	0.251	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-78.8	123	174.8	-60	-177.6	0	0	0	108.4	A917 M922 H936 G941 K942 V943	I913-A917 HydrophobicContact CG2-CB 4Å; I913-M922 HydrophobicContact CD1-CE 3.61Å; I913-M922 HydrophobicContact CD1-SD 3.78Å; I913-M922 HydrophobicContact CG2-CE 4.26Å; I913-H936 PolarHBondContact O-NE2 3.07Å; I913-G941 PolarHBondContact N-O 2.92Å; I913-K942 HydrophobicContact CD1-CB 4.44Å; I913-K942 HydrophobicContact CD1-CG 3.95Å; I913-V943 HydrophobicContact CB-CG2 4.3Å; I913-V943 HydrophobicContact CG2-CG2 4.49Å
914	P	86.6	Confident	78	Confident	67 Å²	67	93.7 Å²	93.7	44%	0.435	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-59.6	142.9	177.3	-23.1	33.3	0	0	0	112	W912 H916 A917	W912-P914 WeakPolarHBondContact O-CD 3.17Å; P914-H916 WeakPolarHBondContact CB-CE1 3.46Å; P914-H916 PolarHBondContact O-N 3Å; P914-H916 VanDerWaalsContact O-N 3.09Å; P914-A917 WeakPolarHBondContact O-CB 3.01Å; P914-A917 PolarHBondContact O-N 3.21Å
915	D	85.4	Confident	80.2	Confident	80 Å²	80	91.6 Å²	91.6	43%	0.428	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-55	-35	-176.6	-81.2	-30.5	0	0	0	113.8	A917 T918 K934 H936	D915-A917 VanDerWaalsContact C-N 3.29Å; D915-A917 PolarHBondContact O-N 2.84Å; D915-T918 VanDerWaalsContact O-O 3.14Å; D915-K934 HydrophobicContact CB-CD 4.15Å; D915-K934 PolarHBondContact O-NZ 2.96Å; D915-H936 IonicContact OD1-CE1 3.23Å; D915-H936 PolarHBondContact OD1-CE1 3.46Å; D915-H936 IonicContact OD1-ND1 3.56Å; D915-H936 IonicContact OD1-NE2 3.7Å
916	H	83.4	Confident	82.3	Confident	150 Å²	150	88.6 Å²	88.6	69%	0.694	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-75.1	-17.2	-178.5	62.8	-92.2	0	0	0	113.6	P914 T918 Q919	P914-H916 WeakPolarHBondContact CB-CE1 3.46Å; P914-H916 PolarHBondContact O-N 3Å; P914-H916 VanDerWaalsContact O-N 3.09Å; H916-T918 PolarHBondContact O-N 3.27Å; H916-Q919 PolarHBondContact O-NE2 3.4Å
917	A	83.7	Confident	84.6	Confident	66 Å²	66	86.3 Å²	86.3	55%	0.545	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-78.3	-8.1	-178.8	0	0	0	0	0	113.1	I913 P914 D915	I913-A917 HydrophobicContact CG2-CB 4Å; P914-A917 WeakPolarHBondContact O-CB 3.01Å; P914-A917 PolarHBondContact O-N 3.21Å; D915-A917 VanDerWaalsContact C-N 3.29Å; D915-A917 PolarHBondContact O-N 2.84Å
918	T	85.5	Confident	87	Confident	14 Å²	14	82.6 Å²	82.6	9%	0.086	44%	0.435	C	S	.	.			trans	-138.5	131.9	-179.4	-178.8	0	0	0	0	111.8	D915 H916 R920 M922 F928 K934 V943	D915-T918 VanDerWaalsContact O-O 3.14Å; H916-T918 PolarHBondContact O-N 3.27Å; T918-R920 PolarHBondContact OG1-N 2.79Å; T918-R920 PolarHBondContact OG1-O 3.28Å; T918-M922 HydrophobicContact CG2-CE 4.36Å; T918-F928 HydrophobicContact CG2-CE2 4.45Å; T918-K934 WeakPolarHBondContact O-CE 3.09Å; T918-K934 PolarHBondContact O-NZ 3.11Å; T918-V943 HydrophobicContact CG2-CB 3.63Å; T918-V943 HydrophobicContact CG2-CG1 4.01Å; T918-V943 HydrophobicContact CG2-CG2 3.67Å
919	Q	91.2	Very high	88.4	Confident	112 Å²	112	85 Å²	85	52%	0.523	43%	0.431	S	S	.	.	S	Bend	trans	-106.1	-4.8	176.2	-56	-56.4	-21.4	0	0	112.6	H916 F928	H916-Q919 PolarHBondContact O-NE2 3.4Å; Q919-F928 PolarHBondContact O-N 2.77Å
920	R	95.9	Very high	89.2	Confident	120 Å²	120	87.2 Å²	87.2	45%	0.453	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-136.2	150.2	-176.9	-60.7	-169.2	169.2	167.4	-1.9	112.2	T918 M922 D925 S926 E927 F928	T918-R920 PolarHBondContact OG1-N 2.79Å; T918-R920 PolarHBondContact OG1-O 3.28Å; R920-M922 PolarHBondContact O-N 3.28Å; R920-D925 WeakPolarHBondContact CB-OD1 3.01Å; R920-D925 VanDerWaalsContact CD-OD1 3.28Å; R920-D925 WeakPolarHBondContact CD-OD1 3.47Å; R920-D925 IonicContact NH1-OD2 3.85Å; R920-S926 WeakPolarHBondContact CA-O 3.2Å; R920-E927 HydrophobicContact CG-CB 4.4Å; R920-E927 HydrophobicContact CG-CG 4.43Å; R920-E927 IonicContact NH2-OE2 2.82Å; R920-F928 WeakPolarHBondContact O-CE2 3.47Å
921	C	95.3	Very high	89.6	Confident	2 Å²	2	93 Å²	93	1%	0.014	47%	0.47	C	S	.	.			trans	-62.3	124.6	177.8	174.4	0	0	0	0	110.6	G923 D925 S926 F928 C945	C921-G923 PolarHBondContact O-N 3.39Å; C921-G923 PolarHBondContact SG-N 2.96Å; C921-G923 VanDerWaalsContact SG-N 3.38Å; C921-D925 WeakPolarHBondContact O-CA 3.28Å; C921-D925 PolarHBondContact O-N 2.92Å; C921-S926 WeakPolarHBondContact CB-O 2.91Å; C921-S926 WeakPolarHBondContact CB-OG 3.48Å; C921-S926 PolarHBondContact N-O 2.85Å; C921-F928 VanDerWaalsContact CA-CZ 3.44Å; C921-F928 HydrophobicContact CB-CE1 4.2Å; C921-F928 HydrophobicContact CB-CZ 3.89Å; C921-C945 HydrophobicContact CB-CB 4.17Å; C921-C945 PolarHBondContact SG-N 3.11Å; C921-C945 VanDerWaalsContact SG-SG 3.6Å
922	M	94.9	Very high	90.1	Very high	82 Å²	82	84 Å²	84	40%	0.404	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	5.5	179.6	-62.7	-173.6	173.7	0	0	114.3	I913 T918 R920 K942 V943 F944	I913-M922 HydrophobicContact CD1-CE 3.61Å; I913-M922 HydrophobicContact CD1-SD 3.78Å; I913-M922 HydrophobicContact CG2-CE 4.26Å; T918-M922 HydrophobicContact CG2-CE 4.36Å; R920-M922 PolarHBondContact O-N 3.28Å; M922-K942 HydrophobicContact SD-CB 3.74Å; M922-K942 HydrophobicContact SD-CD 4.19Å; M922-K942 HydrophobicContact SD-CG 3.91Å; M922-V943 WeakPolarHBondContact CB-O 3.47Å; M922-V943 WeakPolarHBondContact CG-O 3.2Å; M922-V943 PolarHBondContact N-O 2.91Å; M922-F944 HydrophobicContact CB-CD1 4.39Å; M922-F944 HydrophobicContact CB-CE1 3.99Å; M922-F944 HydrophobicContact CB-CZ 4.35Å
923	G	92.3	Very high	90.1	Very high	51 Å²	51	86.8 Å²	86.8	53%	0.526	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-48.6	176.8	0	0	0	0	0	113.2	C921	C921-G923 PolarHBondContact O-N 3.39Å; C921-G923 PolarHBondContact SG-N 2.96Å; C921-G923 VanDerWaalsContact SG-N 3.38Å
924	C	94.7	Very high	90.5	Very high	71 Å²	71	87 Å²	87	48%	0.48	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	3.9	-177.1	65.7	0	0	0	0	114.3	S926 C945 C948	C924-S926 PolarHBondContact O-N 2.86Å; C924-S926 VanDerWaalsContact SG-CB 3.59Å; C924-S926 PolarHBondContact SG-OG 3.04Å; C924-C945 VanDerWaalsContact SG-SG 3.66Å; C924-C948 VanDerWaalsContact SG-SG 3.62Å
925	D	94.1	Very high	90.9	Very high	101 Å²	101	86.5 Å²	86.5	54%	0.54	44%	0.44	S	S	.	.			trans	59.3	13.2	-177.2	-156.5	37.2	0	0	0	115.6	R920 C921 E927	R920-D925 WeakPolarHBondContact CB-OD1 3.01Å; R920-D925 VanDerWaalsContact CD-OD1 3.28Å; R920-D925 WeakPolarHBondContact CD-OD1 3.47Å; R920-D925 IonicContact NH1-OD2 3.85Å; C921-D925 WeakPolarHBondContact O-CA 3.28Å; C921-D925 PolarHBondContact O-N 2.92Å; D925-E927 PolarHBondContact O-N 3.26Å
926	S	92.1	Very high	91.4	Very high	37 Å²	37	84 Å²	84	26%	0.259	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-64.2	134.2	174	69.4	0	0	0	0	111	R920 C921 C924 N932	R920-S926 WeakPolarHBondContact CA-O 3.2Å; C921-S926 WeakPolarHBondContact CB-O 2.91Å; C921-S926 WeakPolarHBondContact CB-OG 3.48Å; C921-S926 PolarHBondContact N-O 2.85Å; C924-S926 PolarHBondContact O-N 2.86Å; C924-S926 VanDerWaalsContact SG-CB 3.59Å; C924-S926 PolarHBondContact SG-OG 3.04Å; S926-N932 PolarHBondContact OG-ND2 2.85Å
927	E	92.7	Very high	91.9	Very high	112 Å²	112	76.9 Å²	76.9	52%	0.523	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-67	141	177.7	-162.8	164.9	173.3	0	0	112.5	R920 D925 N932	R920-E927 HydrophobicContact CG-CB 4.4Å; R920-E927 HydrophobicContact CG-CG 4.43Å; R920-E927 IonicContact NH2-OE2 2.82Å; D925-E927 PolarHBondContact O-N 3.26Å; E927-N932 PolarHBondContact O-ND2 2.94Å
928	F	95.1	Very high	92.4	Very high	16 Å²	16	77.4 Å²	77.4	7%	0.07	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-87.4	132.6	176.8	-67.3	-59.6	0	0	0	110.5	T918 Q919 R920 C921 N932 R933 K934 V943 C945	T918-F928 HydrophobicContact CG2-CE2 4.45Å; Q919-F928 PolarHBondContact O-N 2.77Å; R920-F928 WeakPolarHBondContact O-CE2 3.47Å; C921-F928 VanDerWaalsContact CA-CZ 3.44Å; C921-F928 HydrophobicContact CB-CE1 4.2Å; C921-F928 HydrophobicContact CB-CZ 3.89Å; F928-N932 WeakPolarHBondContact CA-O 3.26Å; F928-N932 WeakPolarHBondContact CD1-O 3.5Å; F928-R933 WeakPolarHBondContact CE1-O 3.46Å; F928-K934 HydrophobicContact CB-CD 4.48Å; F928-K934 HydrophobicContact CB-CG 4.01Å; F928-K934 HydrophobicContact CD1-CG 3.69Å; F928-K934 HydrophobicContact CD2-CD 4.02Å; F928-K934 VanDerWaalsContact CD2-CE 3.43Å; F928-K934 HydrophobicContact CD2-CG 3.52Å; F928-K934 HydrophobicContact CE1-CB 4.44Å; F928-K934 HydrophobicContact CE1-CG 3.92Å; F928-K934 HydrophobicContact CE2-CD 4.41Å; F928-K934 HydrophobicContact CE2-CG 3.74Å; F928-K934 HydrophobicContact CG-CD 4.25Å; F928-K934 HydrophobicContact CG-CG 3.48Å; F928-K934 VanDerWaalsContact CG-CG 3.48Å; F928-K934 HydrophobicContact CZ-CG 3.94Å; F928-V943 HydrophobicContact CE2-CG1 3.87Å; F928-V943 HydrophobicContact CZ-CG1 3.81Å; F928-C945 HydrophobicContact CE1-CB 4.16Å
929	W	88.9	Confident	92.7	Very high	179 Å²	179	78.2 Å²	78.2	68%	0.678	39%	0.387	S	S	*	.			trans	-152.7	-168.5	178.4	61.6	11.9	0	0	0	109.4	I931 N932	W929-I931 VanDerWaalsContact C-N 3.26Å; W929-I931 PolarHBondContact O-N 3.4Å; W929-I931 VanDerWaalsContact O-N 3.12Å; W929-N932 PolarHBondContact N-O 2.79Å; W929-N932 VanDerWaalsContact N-O 3.12Å; W929-N932 CarbonylContact O-C 3.22Å; W929-N932 PolarHBondContact O-N 3.24Å
930	V	86.2	Confident	92.7	Very high	141 Å²	141	74.8 Å²	74.8	86%	0.855	38%	0.375	S	S	*	.	S	Bend	trans	-55.5	-36.6	-173.1	-178	0	0	0	0	113.5
931	I	85.6	Confident	92.6	Very high	153 Å²	153	69.1 Å²	69.1	79%	0.785	35%	0.354	S	S	*	.	S	Bend	trans	-89.4	-48.4	-177.3	-60.4	173.3	0	0	0	112	W929 R933	W929-I931 VanDerWaalsContact C-N 3.26Å; W929-I931 PolarHBondContact O-N 3.4Å; W929-I931 VanDerWaalsContact O-N 3.12Å; I931-R933 PolarHBondContact O-N 2.96Å
932	N	91.5	Very high	92.7	Very high	40 Å²	40	74 Å²	74	21%	0.214	38%	0.375	C	S	.	.	S	Bend	trans	-84.6	91.1	175.9	-167.9	31.5	0	0	0	110.8	S926 E927 F928 W929 C945	S926-N932 PolarHBondContact OG-ND2 2.85Å; E927-N932 PolarHBondContact O-ND2 2.94Å; F928-N932 WeakPolarHBondContact CA-O 3.26Å; F928-N932 WeakPolarHBondContact CD1-O 3.5Å; W929-N932 PolarHBondContact N-O 2.79Å; W929-N932 VanDerWaalsContact N-O 3.12Å; W929-N932 CarbonylContact O-C 3.22Å; W929-N932 PolarHBondContact O-N 3.24Å; N932-C945 WeakPolarHBondContact OD1-CB 3.4Å
933	R	91.2	Very high	92.7	Very high	180 Å²	180	70.1 Å²	70.1	68%	0.679	36%	0.355	S	S	*	.			trans	-85.9	160.2	-174.4	-57.9	-162.8	72.5	-175.6	0.6	113.2	F928 I931 H935	F928-R933 WeakPolarHBondContact CE1-O 3.46Å; I931-R933 PolarHBondContact O-N 2.96Å; R933-H935 PolarHBondContact O-CD2 2.68Å; R933-H935 VanDerWaalsContact O-CD2 3.31Å
934	K	94.6	Very high	93	Very high	53 Å²	53	68.3 Å²	68.3	23%	0.23	33%	0.333	C	S	.	.			trans	-81.5	135.6	178.8	-69.5	177.4	-174.2	177.2	0	111.1	D915 T918 F928 V943	D915-K934 HydrophobicContact CB-CD 4.15Å; D915-K934 PolarHBondContact O-NZ 2.96Å; T918-K934 WeakPolarHBondContact O-CE 3.09Å; T918-K934 PolarHBondContact O-NZ 3.11Å; F928-K934 HydrophobicContact CB-CD 4.48Å; F928-K934 HydrophobicContact CB-CG 4.01Å; F928-K934 HydrophobicContact CD1-CG 3.69Å; F928-K934 HydrophobicContact CD2-CD 4.02Å; F928-K934 VanDerWaalsContact CD2-CE 3.43Å; F928-K934 HydrophobicContact CD2-CG 3.52Å; F928-K934 HydrophobicContact CE1-CB 4.44Å; F928-K934 HydrophobicContact CE1-CG 3.92Å; F928-K934 HydrophobicContact CE2-CD 4.41Å; F928-K934 HydrophobicContact CE2-CG 3.74Å; F928-K934 HydrophobicContact CG-CD 4.25Å; F928-K934 HydrophobicContact CG-CG 3.48Å; F928-K934 VanDerWaalsContact CG-CG 3.48Å; F928-K934 HydrophobicContact CZ-CG 3.94Å; K934-V943 HydrophobicContact CB-CG1 3.55Å; K934-V943 HydrophobicContact CD-CG1 4.26Å; K934-V943 HydrophobicContact CG-CG1 3.8Å
935	H	94.4	Very high	93	Very high	56 Å²	56	65.1 Å²	65.1	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123.3	176.8	-59.4	-77.8	0	0	0	111.3	R933 F944 G946 S949	R933-H935 PolarHBondContact O-CD2 2.68Å; R933-H935 VanDerWaalsContact O-CD2 3.31Å; H935-F944 WeakPolarHBondContact CB-O 3.19Å; H935-F944 PolarHBondContact N-O 3.32Å; H935-F944 PolarHBondContact O-N 2.92Å; H935-G946 PolarHBondContact CD2-N 2.86Å; H935-S949 WeakPolarHBondContact CB-OG 3.28Å
936	H	95.7	Very high	93	Very high	28 Å²	28	61.5 Å²	61.5	13%	0.13	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	140.4	175.4	-62.3	81.3	0	0	0	112.9	W912 I913 D915 R938 K942 V943	W912-H936 HydrophobicContact CD2-CB 4.44Å; W912-H936 HydrophobicContact CE3-CB 3.48Å; W912-H936 VanDerWaalsContact CE3-CB 3.48Å; W912-H936 AromaticContact CE3-CD2 3.49Å; W912-H936 VanDerWaalsContact CE3-CD2 3.49Å; W912-H936 AromaticContact CE3-CG 3.38Å; W912-H936 HydrophobicContact CH2-CB 3.93Å; W912-H936 HydrophobicContact CZ3-CB 3.2Å; W912-H936 AromaticContact CZ3-CG 3.49Å; W912-H936 VanDerWaalsContact CZ3-CG 3.49Å; W912-H936 AromaticContact CZ3-ND1 3.98Å; I913-H936 PolarHBondContact O-NE2 3.07Å; D915-H936 IonicContact OD1-CE1 3.23Å; D915-H936 PolarHBondContact OD1-CE1 3.46Å; D915-H936 IonicContact OD1-ND1 3.56Å; D915-H936 IonicContact OD1-NE2 3.7Å; H936-R938 PolarHBondContact O-NH1 3.29Å; H936-K942 WeakPolarHBondContact CA-O 3.39Å; H936-V943 WeakPolarHBondContact NE2-CG2 3.25Å
937	C	95.4	Very high	93.1	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.321	C	S	.	.			trans	-77.3	124.5	163.8	177.6	0	0	0	0	109.6	S939 C940 G941 K942 F944 C967 C970	C937-S939 PolarHBondContact O-N 3.33Å; C937-S939 PolarHBondContact SG-N 3.1Å; C937-C940 VanDerWaalsContact CB-SG 3.54Å; C937-G941 WeakPolarHBondContact O-CA 3.29Å; C937-G941 PolarHBondContact O-N 3.48Å; C937-K942 PolarHBondContact N-O 3.48Å; C937-F944 HydrophobicContact CB-CD2 4.08Å; C937-F944 HydrophobicContact CB-CE2 3.75Å; C937-C967 HydrophobicContact CB-CB 4.12Å; C937-C967 PolarHBondContact SG-N 3.15Å; C937-C970 VanDerWaalsContact SG-SG 3.61Å
938	R	93.3	Very high	93.3	Very high	78 Å²	78	61.8 Å²	61.8	29%	0.294	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.5	-179.9	-82.1	72.4	172.9	160.3	-5.2	113.9	W912 H936 L960 V964 R965	W912-R938 HydrophobicContact CH2-CG 3.96Å; W912-R938 HydrophobicContact CZ2-CG 4.01Å; H936-R938 PolarHBondContact O-NH1 3.29Å; R938-L960 HydrophobicContact CB-CD1 3.89Å; R938-L960 HydrophobicContact CG-CD1 4Å; R938-V964 HydrophobicContact CB-CB 4.06Å; R938-V964 HydrophobicContact CB-CG2 3.61Å; R938-V964 HydrophobicContact CG-CB 3.89Å; R938-V964 HydrophobicContact CG-CG2 4Å; R938-R965 WeakPolarHBondContact CD-O 3.36Å; R938-R965 PolarHBondContact N-O 2.72Å
939	S	91.4	Very high	93.2	Very high	31 Å²	31	61 Å²	61	22%	0.217	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-30.7	178.6	160.1	0	0	0	0	114.1	T910 C937	T910-S939 PolarHBondContact OG1-O 3.01Å; C937-S939 PolarHBondContact O-N 3.33Å; C937-S939 PolarHBondContact SG-N 3.1Å
940	C	92.5	Very high	93.3	Very high	40 Å²	40	55.7 Å²	55.7	27%	0.27	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-2.6	-178.1	71.6	0	0	0	0	114.7	C937 K942 C970	C937-C940 VanDerWaalsContact CB-SG 3.54Å; C940-K942 PolarHBondContact O-N 3.13Å; C940-C970 VanDerWaalsContact SG-SG 3.7Å
941	G	93	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.			trans	70.3	-2.3	175.2	0	0	0	0	0	115.6	I913 C937	I913-G941 PolarHBondContact N-O 2.92Å; C937-G941 WeakPolarHBondContact O-CA 3.29Å; C937-G941 PolarHBondContact O-N 3.48Å
942	K	96.4	Very high	94.1	Very high	105 Å²	105	52.2 Å²	52.2	46%	0.457	26%	0.256	S	S	.	.			trans	-76.7	159.7	177.6	-65.6	179.6	-176.2	179.3	0	112.1	I913 M922 H936 C937 C940 F944	I913-K942 HydrophobicContact CD1-CB 4.44Å; I913-K942 HydrophobicContact CD1-CG 3.95Å; M922-K942 HydrophobicContact SD-CB 3.74Å; M922-K942 HydrophobicContact SD-CD 4.19Å; M922-K942 HydrophobicContact SD-CG 3.91Å; H936-K942 WeakPolarHBondContact CA-O 3.39Å; C937-K942 PolarHBondContact N-O 3.48Å; C940-K942 PolarHBondContact O-N 3.13Å; K942-F944 HydrophobicContact CB-CD2 4.47Å; K942-F944 HydrophobicContact CB-CE2 3.51Å; K942-F944 HydrophobicContact CB-CZ 3.74Å; K942-F944 HydrophobicContact CD-CZ 4.44Å; K942-F944 WeakPolarHBondContact O-CD2 3.49Å; K942-F944 WeakPolarHBondContact O-CE2 3.37Å
943	V	96.3	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.6	-174.5	-170.5	0	0	0	0	111.8	I913 T918 M922 F928 K934 H936	I913-V943 HydrophobicContact CB-CG2 4.3Å; I913-V943 HydrophobicContact CG2-CG2 4.49Å; T918-V943 HydrophobicContact CG2-CB 3.63Å; T918-V943 HydrophobicContact CG2-CG1 4.01Å; T918-V943 HydrophobicContact CG2-CG2 3.67Å; M922-V943 WeakPolarHBondContact CB-O 3.47Å; M922-V943 WeakPolarHBondContact CG-O 3.2Å; M922-V943 PolarHBondContact N-O 2.91Å; F928-V943 HydrophobicContact CE2-CG1 3.87Å; F928-V943 HydrophobicContact CZ-CG1 3.81Å; K934-V943 HydrophobicContact CB-CG1 3.55Å; K934-V943 HydrophobicContact CD-CG1 4.26Å; K934-V943 HydrophobicContact CG-CG1 3.8Å; H936-V943 WeakPolarHBondContact NE2-CG2 3.25Å
944	F	97.1	Very high	93.8	Very high	14 Å²	14	43.7 Å²	43.7	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.6	-174.5	-60	-85.9	0	0	0	111.7	M922 H935 C937 K942 C948 C967	M922-F944 HydrophobicContact CB-CD1 4.39Å; M922-F944 HydrophobicContact CB-CE1 3.99Å; M922-F944 HydrophobicContact CB-CZ 4.35Å; H935-F944 WeakPolarHBondContact CB-O 3.19Å; H935-F944 PolarHBondContact N-O 3.32Å; H935-F944 PolarHBondContact O-N 2.92Å; C937-F944 HydrophobicContact CB-CD2 4.08Å; C937-F944 HydrophobicContact CB-CE2 3.75Å; K942-F944 HydrophobicContact CB-CD2 4.47Å; K942-F944 HydrophobicContact CB-CE2 3.51Å; K942-F944 HydrophobicContact CB-CZ 3.74Å; K942-F944 HydrophobicContact CD-CZ 4.44Å; K942-F944 WeakPolarHBondContact O-CD2 3.49Å; K942-F944 WeakPolarHBondContact O-CE2 3.37Å; F944-C948 HydrophobicContact CB-CB 3.99Å; F944-C948 HydrophobicContact CD1-CB 3.97Å; F944-C948 HydrophobicContact CG-CB 4.37Å; F944-C967 HydrophobicContact CD1-CB 4.15Å; F944-C967 HydrophobicContact CD2-CB 3.7Å; F944-C967 HydrophobicContact CE1-CB 3.93Å; F944-C967 HydrophobicContact CE2-CB 3.45Å; F944-C967 VanDerWaalsContact CE2-CB 3.45Å; F944-C967 HydrophobicContact CG-CB 4.05Å; F944-C967 HydrophobicContact CZ-CB 3.58Å
945	C	95.9	Very high	93.5	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.027	22%	0.215	C	C	.	.			trans	-78.1	169.6	165.1	68.6	0	0	0	0	111	C921 C924 F928 N932 N947 C948 S949	C921-C945 HydrophobicContact CB-CB 4.17Å; C921-C945 PolarHBondContact SG-N 3.11Å; C921-C945 VanDerWaalsContact SG-SG 3.6Å; C924-C945 VanDerWaalsContact SG-SG 3.66Å; F928-C945 HydrophobicContact CE1-CB 4.16Å; N932-C945 WeakPolarHBondContact OD1-CB 3.4Å; C945-N947 VanDerWaalsContact C-N 3.25Å; C945-N947 PolarHBondContact O-N 2.85Å; C945-C948 PolarHBondContact O-N 2.91Å; C945-C948 VanDerWaalsContact SG-SG 3.7Å; C945-S949 PolarHBondContact O-N 3.36Å; C945-S949 PolarHBondContact O-OG 3Å
946	G	93	Very high	92.7	Very high	25 Å²	25	41.1 Å²	41.1	26%	0.258	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.1	-179.5	0	0	0	0	0	113.3	H935 S949 S950	H935-G946 PolarHBondContact CD2-N 2.86Å; G946-S949 CarbonylContact O-C 3.43Å; G946-S949 PolarHBondContact O-N 2.85Å; G946-S950 WeakPolarHBondContact O-CA 3.49Å; G946-S950 PolarHBondContact O-N 3.3Å
947	N	94.7	Very high	91.7	Very high	136 Å²	136	45.2 Å²	45.2	73%	0.727	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-70.1	-38.1	-179	-67.6	-1.8	0	0	0	112.9	C945 S949 S950 N968	C945-N947 VanDerWaalsContact C-N 3.25Å; C945-N947 PolarHBondContact O-N 2.85Å; N947-S949 VanDerWaalsContact C-N 3.27Å; N947-S949 PolarHBondContact O-N 2.97Å; N947-S950 PolarHBondContact O-OG 2.93Å; N947-S950 VanDerWaalsContact O-OG 3.13Å; N947-N968 PolarHBondContact O-ND2 3.04Å
948	C	96.8	Very high	90.8	Very high	18 Å²	18	47.8 Å²	47.8	12%	0.122	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-81	-6	179.6	-68.8	0	0	0	0	113.8	C924 F944 C945 C967 N968	C924-C948 VanDerWaalsContact SG-SG 3.62Å; F944-C948 HydrophobicContact CB-CB 3.99Å; F944-C948 HydrophobicContact CD1-CB 3.97Å; F944-C948 HydrophobicContact CG-CB 4.37Å; C945-C948 PolarHBondContact O-N 2.91Å; C945-C948 VanDerWaalsContact SG-SG 3.7Å; C948-C967 VanDerWaalsContact O-CA 3.28Å; C948-C967 WeakPolarHBondContact O-CA 3.27Å; C948-C967 WeakPolarHBondContact O-CB 3.19Å; C948-N968 PolarHBondContact O-N 2.8Å; C948-N968 VanDerWaalsContact O-N 3.07Å; C948-N968 PolarHBondContact O-OD1 3.03Å
949	S	94.1	Very high	90.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-136.6	41.4	179.2	61	0	0	0	0	111.8	H935 C945 G946 N947 Y951 R965 V966	H935-S949 WeakPolarHBondContact CB-OG 3.28Å; C945-S949 PolarHBondContact O-N 3.36Å; C945-S949 PolarHBondContact O-OG 3Å; G946-S949 CarbonylContact O-C 3.43Å; G946-S949 PolarHBondContact O-N 2.85Å; N947-S949 VanDerWaalsContact C-N 3.27Å; N947-S949 PolarHBondContact O-N 2.97Å; S949-Y951 VanDerWaalsContact C-N 3.31Å; S949-Y951 PolarHBondContact O-N 2.83Å; S949-R965 WeakPolarHBondContact O-CG 3.13Å; S949-R965 PolarHBondContact O-NH1 3.02Å; S949-V966 CarbonylContact C-O 3.4Å; S949-V966 WeakPolarHBondContact CA-O 3.17Å
950	S	91.2	Very high	89.7	Confident	68 Å²	68	50.9 Å²	50.9	48%	0.476	27%	0.267	S	S	.	.			trans	-80.6	-10.3	-172.7	43.6	0	0	0	0	114	G946 N947	G946-S950 WeakPolarHBondContact O-CA 3.49Å; G946-S950 PolarHBondContact O-N 3.3Å; N947-S950 PolarHBondContact O-OG 2.93Å; N947-S950 VanDerWaalsContact O-OG 3.13Å
951	Y	93.9	Very high	89.3	Confident	107 Å²	107	55.4 Å²	55.4	42%	0.42	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	151.1	-176.5	-60.2	-79.9	0	0	0	112.4	S949 R965 V966 N968 F971	S949-Y951 VanDerWaalsContact C-N 3.31Å; S949-Y951 PolarHBondContact O-N 2.83Å; Y951-R965 WeakPolarHBondContact O-CA 3.46Å; Y951-V966 PolarHBondContact O-N 3.37Å; Y951-N968 HydrophobicContact CD2-CB 4.47Å; Y951-N968 VanDerWaalsContact CD2-OD1 3.29Å; Y951-N968 WeakPolarHBondContact CD2-OD1 2.9Å; Y951-N968 HydrophobicContact CE2-CB 4.34Å; Y951-N968 WeakPolarHBondContact CE2-OD1 3.47Å; Y951-F971 VanDerWaalsContact CB-CD2 3.45Å; Y951-F971 VanDerWaalsContact CB-CG 3.49Å; Y951-F971 AromaticContact CD1-CD1 3.8Å; Y951-F971 HydrophobicContact CD1-CD1 3.8Å; Y951-F971 HydrophobicContact CD1-CD2 4.39Å; Y951-F971 AromaticContact CD1-CE1 3.69Å; Y951-F971 HydrophobicContact CD1-CE1 3.69Å; Y951-F971 HydrophobicContact CD1-CE2 4.29Å; Y951-F971 HydrophobicContact CD1-CG 4.15Å; Y951-F971 AromaticContact CD1-CZ 3.95Å; Y951-F971 HydrophobicContact CD1-CZ 3.95Å; Y951-F971 HydrophobicContact CD2-CB 4.22Å; Y951-F971 HydrophobicContact CD2-CD1 4.1Å; Y951-F971 HydrophobicContact CD2-CG 4.17Å; Y951-F971 HydrophobicContact CE1-CD1 4.28Å; Y951-F971 HydrophobicContact CE1-CE1 4.09Å; Y951-F971 HydrophobicContact CG-CB 4.13Å; Y951-F971 AromaticContact CG-CD1 3.71Å; Y951-F971 HydrophobicContact CG-CD1 3.71Å; Y951-F971 HydrophobicContact CG-CD2 4.05Å; Y951-F971 HydrophobicContact CG-CE1 4.08Å; Y951-F971 HydrophobicContact CG-CE2 4.39Å; Y951-F971 AromaticContact CG-CG 3.68Å; Y951-F971 HydrophobicContact CG-CG 3.68Å; Y951-F971 HydrophobicContact CG-CZ 4.41Å
952	E	94.3	Very high	88.9	Confident	114 Å²	114	63 Å²	63	53%	0.533	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.1	172.3	-62.1	-175.6	163.7	0	0	109.1	P963 V964	E952-P963 HydrophobicContact CB-CB 4.02Å; E952-V964 VanDerWaalsContact CA-O 3.25Å; E952-V964 WeakPolarHBondContact CA-O 3.44Å
953	C	89.6	Confident	88.6	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	147.3	-180	-171.6	0	0	0	0	109.2	V964 V966 F971 Q978	C953-V964 PolarHBondContact N-O 3.08Å; C953-V964 WeakPolarHBondContact O-CG2 3.47Å; C953-V964 PolarHBondContact O-N 3.03Å; C953-V966 HydrophobicContact CB-CG2 4.17Å; C953-F971 HydrophobicContact CB-CD2 3.75Å; C953-F971 HydrophobicContact CB-CE2 3.91Å; C953-Q978 PolarHBondContact SG-NE2 2.84Å
954	P	86.2	Confident	88.5	Confident	35 Å²	35	63 Å²	63	23%	0.227	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	142.6	171.3	-26.1	35.9	0	0	0	111.5	L960 F961 P963	P954-L960 CarbonylContact C-O 3.56Å; P954-L960 WeakPolarHBondContact CA-O 3.42Å; P954-F961 WeakPolarHBondContact CB-O 3.27Å; P954-F961 WeakPolarHBondContact CG-O 3.33Å; P954-P963 HydrophobicContact CG-CG 4.36Å
955	V	88.2	Confident	88.4	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	80.8	174.5	-172.2	0	0	0	0	108.1	E957 E958 Q959 L960 V964 V966 L974	V955-E957 VanDerWaalsContact C-N 3.28Å; V955-E957 PolarHBondContact O-N 2.85Å; V955-E958 HydrophobicContact CG1-CB 3.99Å; V955-E958 HydrophobicContact CG1-CG 3.83Å; V955-E958 PolarHBondContact O-N 3.4Å; V955-E958 VanDerWaalsContact O-N 3.09Å; V955-Q959 PolarHBondContact O-N 3.47Å; V955-L960 CarbonylContact C-O 3.59Å; V955-L960 HydrophobicContact CB-CB 4.31Å; V955-L960 PolarHBondContact N-O 2.74Å; V955-L960 PolarHBondContact O-N 2.95Å; V955-L960 VanDerWaalsContact O-N 3.07Å; V955-V964 HydrophobicContact CB-CG2 4.29Å; V955-V964 HydrophobicContact CG2-CG2 3.62Å; V955-V966 HydrophobicContact CG2-CG1 3.82Å; V955-L974 HydrophobicContact CG2-CD1 3.91Å
956	P	77.6	Confident	88.4	Confident	53 Å²	53	65 Å²	65	34%	0.344	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-62.8	-31.7	-173	-23.5	34.6	0	0	0	113.9	E958 Q959 F961	P956-E958 PolarHBondContact O-N 3Å; P956-Q959 WeakPolarHBondContact O-CA 3.37Å; P956-Q959 PolarHBondContact O-N 2.89Å; P956-F961 HydrophobicContact CB-CE1 4.29Å
957	E	73.8	Confident	88.6	Confident	114 Å²	114	64.1 Å²	64.1	53%	0.533	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-58.6	-28.4	176.3	-68.2	179.5	-177.9	0	0	112.3	V955	V955-E957 VanDerWaalsContact C-N 3.28Å; V955-E957 PolarHBondContact O-N 2.85Å
958	E	78.4	Confident	88.6	Confident	54 Å²	54	60.5 Å²	60.5	25%	0.252	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-100.9	12.5	176.4	-63.2	-67.1	153	0	0	112.4	T910 V955 P956 L960	T910-E958 WeakPolarHBondContact CB-OE1 3.34Å; T910-E958 PolarHBondContact N-OE1 3.47Å; T910-E958 PolarHBondContact N-OE2 3.24Å; T910-E958 VanDerWaalsContact OG1-CD 3.26Å; T910-E958 PolarHBondContact OG1-OE1 3.42Å; V955-E958 HydrophobicContact CG1-CB 3.99Å; V955-E958 HydrophobicContact CG1-CG 3.83Å; V955-E958 PolarHBondContact O-N 3.4Å; V955-E958 VanDerWaalsContact O-N 3.09Å; P956-E958 PolarHBondContact O-N 3Å; E958-L960 HydrophobicContact CB-CD1 4.17Å; E958-L960 HydrophobicContact CB-CG 4.25Å; E958-L960 PolarHBondContact O-N 3.27Å
959	Q	77.9	Confident	88.3	Confident	113 Å²	113	64 Å²	64	53%	0.528	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	25.4	-174.6	-56.2	-175.5	-9.1	0	0	114.4	R907 V955 P956 F961	R907-Q959 VanDerWaalsContact NH1-NE2 3.16Å; V955-Q959 PolarHBondContact O-N 3.47Å; P956-Q959 WeakPolarHBondContact O-CA 3.37Å; P956-Q959 PolarHBondContact O-N 2.89Å; Q959-F961 HydrophobicContact CB-CE2 4.03Å; Q959-F961 HydrophobicContact CB-CZ 4.43Å; Q959-F961 WeakPolarHBondContact O-CD2 3.32Å; Q959-F961 WeakPolarHBondContact O-CE2 3.47Å; Q959-F961 PolarHBondContact O-N 2.81Å
960	L	83	Confident	88.4	Confident	61 Å²	61	64.7 Å²	64.7	32%	0.319	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	84.8	176.8	-62.9	172.7	0	0	0	109.2	R938 P954 V955 E958 V964	R938-L960 HydrophobicContact CB-CD1 3.89Å; R938-L960 HydrophobicContact CG-CD1 4Å; P954-L960 CarbonylContact C-O 3.56Å; P954-L960 WeakPolarHBondContact CA-O 3.42Å; V955-L960 CarbonylContact C-O 3.59Å; V955-L960 HydrophobicContact CB-CB 4.31Å; V955-L960 PolarHBondContact N-O 2.74Å; V955-L960 PolarHBondContact O-N 2.95Å; V955-L960 VanDerWaalsContact O-N 3.07Å; E958-L960 HydrophobicContact CB-CD1 4.17Å; E958-L960 HydrophobicContact CB-CG 4.25Å; E958-L960 PolarHBondContact O-N 3.27Å; L960-V964 HydrophobicContact CB-CG1 4.14Å; L960-V964 HydrophobicContact CB-CG2 3.99Å; L960-V964 HydrophobicContact CD1-CG1 4.24Å; L960-V964 HydrophobicContact CD1-CG2 3.93Å; L960-V964 HydrophobicContact CD2-CG1 4.45Å
961	F	83	Confident	88.5	Confident	135 Å²	135	63.5 Å²	63.5	59%	0.592	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	-23.7	-175.5	-57	-77	0	0	0	113.6	P954 P956 Q959	P954-F961 WeakPolarHBondContact CB-O 3.27Å; P954-F961 WeakPolarHBondContact CG-O 3.33Å; P956-F961 HydrophobicContact CB-CE1 4.29Å; Q959-F961 HydrophobicContact CB-CE2 4.03Å; Q959-F961 HydrophobicContact CB-CZ 4.43Å; Q959-F961 WeakPolarHBondContact O-CD2 3.32Å; Q959-F961 WeakPolarHBondContact O-CE2 3.47Å; Q959-F961 PolarHBondContact O-N 2.81Å
962	E	85.3	Confident	88.2	Confident	160 Å²	160	62.1 Å²	62.1	75%	0.748	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	147.9	169	-65.8	-174.5	171.1	0	0	110.2	V964	E962-V964 PolarHBondContact O-N 2.87Å; E962-V964 VanDerWaalsContact O-N 3.16Å
963	P	90.1	Very high	87.9	Confident	79 Å²	79	59.2 Å²	59.2	51%	0.513	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	121.3	176.5	-25.5	34.2	0	0	0	112.2	E952 P954	E952-P963 HydrophobicContact CB-CB 4.02Å; P954-P963 HydrophobicContact CG-CG 4.36Å
964	V	93.7	Very high	87.7	Confident	27 Å²	27	59.6 Å²	59.6	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.4	178.6	-70.4	0	0	0	0	111.3	R938 E952 C953 V955 L960 E962 V966	R938-V964 HydrophobicContact CB-CB 4.06Å; R938-V964 HydrophobicContact CB-CG2 3.61Å; R938-V964 HydrophobicContact CG-CB 3.89Å; R938-V964 HydrophobicContact CG-CG2 4Å; E952-V964 VanDerWaalsContact CA-O 3.25Å; E952-V964 WeakPolarHBondContact CA-O 3.44Å; C953-V964 PolarHBondContact N-O 3.08Å; C953-V964 WeakPolarHBondContact O-CG2 3.47Å; C953-V964 PolarHBondContact O-N 3.03Å; V955-V964 HydrophobicContact CB-CG2 4.29Å; V955-V964 HydrophobicContact CG2-CG2 3.62Å; L960-V964 HydrophobicContact CB-CG1 4.14Å; L960-V964 HydrophobicContact CB-CG2 3.99Å; L960-V964 HydrophobicContact CD1-CG1 4.24Å; L960-V964 HydrophobicContact CD1-CG2 3.93Å; L960-V964 HydrophobicContact CD2-CG1 4.45Å; E962-V964 PolarHBondContact O-N 2.87Å; E962-V964 VanDerWaalsContact O-N 3.16Å; V964-V966 PolarHBondContact O-N 3.15Å
965	R	95.9	Very high	87.4	Confident	59 Å²	59	60.3 Å²	60.3	22%	0.223	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	124.3	-178.6	-178.2	176.4	-63	-95.7	-6.5	113	R938 S949 Y951	R938-R965 WeakPolarHBondContact CD-O 3.36Å; R938-R965 PolarHBondContact N-O 2.72Å; S949-R965 WeakPolarHBondContact O-CG 3.13Å; S949-R965 PolarHBondContact O-NH1 3.02Å; Y951-R965 WeakPolarHBondContact O-CA 3.46Å
966	V	95.9	Very high	86.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154	175.8	-70.9	0	0	0	0	110.8	S949 Y951 C953 V955 V964 C970 F971 L974	S949-V966 CarbonylContact C-O 3.4Å; S949-V966 WeakPolarHBondContact CA-O 3.17Å; Y951-V966 PolarHBondContact O-N 3.37Å; C953-V966 HydrophobicContact CB-CG2 4.17Å; V955-V966 HydrophobicContact CG2-CG1 3.82Å; V964-V966 PolarHBondContact O-N 3.15Å; V966-C970 HydrophobicContact CB-CB 4.1Å; V966-F971 HydrophobicContact CG2-CB 3.79Å; V966-F971 HydrophobicContact CG2-CD2 4.01Å; V966-F971 HydrophobicContact CG2-CG 4.41Å; V966-L974 HydrophobicContact CG1-CD1 4.1Å
967	C	96.6	Very high	86.6	Confident	6 Å²	6	68.7 Å²	68.7	4%	0.041	36%	0.358	C	S	.	.			trans	-71.7	159.6	173	75.2	0	0	0	0	111	C937 F944 C948 S969 C970 F971	C937-C967 HydrophobicContact CB-CB 4.12Å; C937-C967 PolarHBondContact SG-N 3.15Å; F944-C967 HydrophobicContact CD1-CB 4.15Å; F944-C967 HydrophobicContact CD2-CB 3.7Å; F944-C967 HydrophobicContact CE1-CB 3.93Å; F944-C967 HydrophobicContact CE2-CB 3.45Å; F944-C967 VanDerWaalsContact CE2-CB 3.45Å; F944-C967 HydrophobicContact CG-CB 4.05Å; F944-C967 HydrophobicContact CZ-CB 3.58Å; C948-C967 VanDerWaalsContact O-CA 3.28Å; C948-C967 WeakPolarHBondContact O-CA 3.27Å; C948-C967 WeakPolarHBondContact O-CB 3.19Å; C967-S969 PolarHBondContact O-N 2.96Å; C967-S969 VanDerWaalsContact O-N 3.12Å; C967-C970 PolarHBondContact O-N 2.89Å; C967-C970 VanDerWaalsContact O-N 3.09Å; C967-C970 PolarHBondContact SG-N 3.4Å; C967-F971 PolarHBondContact O-N 3.48Å
968	N	94.3	Very high	86.3	Confident	60 Å²	60	66.5 Å²	66.5	32%	0.321	35%	0.348	S	S	.	.	H	α-helix	trans	-55.7	-35.4	-175.9	-60.5	-4.7	0	0	0	112.9	N947 C948 Y951 S972	N947-N968 PolarHBondContact O-ND2 3.04Å; C948-N968 PolarHBondContact O-N 2.8Å; C948-N968 VanDerWaalsContact O-N 3.07Å; C948-N968 PolarHBondContact O-OD1 3.03Å; Y951-N968 HydrophobicContact CD2-CB 4.47Å; Y951-N968 VanDerWaalsContact CD2-OD1 3.29Å; Y951-N968 WeakPolarHBondContact CD2-OD1 2.9Å; Y951-N968 HydrophobicContact CE2-CB 4.34Å; Y951-N968 WeakPolarHBondContact CE2-OD1 3.47Å; N968-S972 PolarHBondContact O-N 2.84Å; N968-S972 VanDerWaalsContact O-N 3.14Å; N968-S972 PolarHBondContact O-OG 3.33Å
969	S	92.4	Very high	86	Confident	91 Å²	91	71 Å²	71	64%	0.636	37%	0.366	S	S	*	.	H	α-helix	trans	-67.9	-50.8	176.4	176.9	0	0	0	0	111.6	C967 F971 S972 A973	C967-S969 PolarHBondContact O-N 2.96Å; C967-S969 VanDerWaalsContact O-N 3.12Å; S969-F971 VanDerWaalsContact C-N 3.33Å; S969-F971 PolarHBondContact O-N 3.19Å; S969-S972 PolarHBondContact O-N 2.99Å; S969-A973 PolarHBondContact O-N 3.49Å
970	C	94.5	Very high	85.1	Confident	16 Å²	16	70 Å²	70	11%	0.108	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-38.9	176.8	-71.4	0	0	0	0	112.2	C937 C940 V966 C967 S972 A973 L974	C937-C970 VanDerWaalsContact SG-SG 3.61Å; C940-C970 VanDerWaalsContact SG-SG 3.7Å; V966-C970 HydrophobicContact CB-CB 4.1Å; C967-C970 PolarHBondContact O-N 2.89Å; C967-C970 VanDerWaalsContact O-N 3.09Å; C967-C970 PolarHBondContact SG-N 3.4Å; C970-S972 VanDerWaalsContact C-N 3.33Å; C970-S972 PolarHBondContact O-N 3.37Å; C970-A973 PolarHBondContact O-N 2.81Å; C970-L974 WeakPolarHBondContact O-CB 3.16Å; C970-L974 VanDerWaalsContact O-CG 3.3Å; C970-L974 WeakPolarHBondContact O-CG 3.33Å; C970-L974 PolarHBondContact O-N 3.39Å
971	F	93.4	Very high	83.8	Confident	43 Å²	43	73.1 Å²	73.1	19%	0.189	39%	0.385	C	S	.	.	H	α-helix	trans	-59.2	-45.8	175	-177	-105.3	0	0	0	111.6	Y951 C953 V966 C967 S969 A973 L974 N975	Y951-F971 VanDerWaalsContact CB-CD2 3.45Å; Y951-F971 VanDerWaalsContact CB-CG 3.49Å; Y951-F971 AromaticContact CD1-CD1 3.8Å; Y951-F971 HydrophobicContact CD1-CD1 3.8Å; Y951-F971 HydrophobicContact CD1-CD2 4.39Å; Y951-F971 AromaticContact CD1-CE1 3.69Å; Y951-F971 HydrophobicContact CD1-CE1 3.69Å; Y951-F971 HydrophobicContact CD1-CE2 4.29Å; Y951-F971 HydrophobicContact CD1-CG 4.15Å; Y951-F971 AromaticContact CD1-CZ 3.95Å; Y951-F971 HydrophobicContact CD1-CZ 3.95Å; Y951-F971 HydrophobicContact CD2-CB 4.22Å; Y951-F971 HydrophobicContact CD2-CD1 4.1Å; Y951-F971 HydrophobicContact CD2-CG 4.17Å; Y951-F971 HydrophobicContact CE1-CD1 4.28Å; Y951-F971 HydrophobicContact CE1-CE1 4.09Å; Y951-F971 HydrophobicContact CG-CB 4.13Å; Y951-F971 AromaticContact CG-CD1 3.71Å; Y951-F971 HydrophobicContact CG-CD1 3.71Å; Y951-F971 HydrophobicContact CG-CD2 4.05Å; Y951-F971 HydrophobicContact CG-CE1 4.08Å; Y951-F971 HydrophobicContact CG-CE2 4.39Å; Y951-F971 AromaticContact CG-CG 3.68Å; Y951-F971 HydrophobicContact CG-CG 3.68Å; Y951-F971 HydrophobicContact CG-CZ 4.41Å; C953-F971 HydrophobicContact CB-CD2 3.75Å; C953-F971 HydrophobicContact CB-CE2 3.91Å; V966-F971 HydrophobicContact CG2-CB 3.79Å; V966-F971 HydrophobicContact CG2-CD2 4.01Å; V966-F971 HydrophobicContact CG2-CG 4.41Å; C967-F971 PolarHBondContact O-N 3.48Å; S969-F971 VanDerWaalsContact C-N 3.33Å; S969-F971 PolarHBondContact O-N 3.19Å; F971-A973 VanDerWaalsContact C-N 3.33Å; F971-A973 PolarHBondContact O-N 3.49Å; F971-L974 PolarHBondContact O-N 2.86Å; F971-N975 WeakPolarHBondContact O-CB 3.26Å; F971-N975 PolarHBondContact O-N 3.43Å
972	S	88.6	Confident	82	Confident	78 Å²	78	73 Å²	73	55%	0.545	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-42.2	179.1	-56.1	0	0	0	0	111.4	N968 S969 C970 F976	N968-S972 PolarHBondContact O-N 2.84Å; N968-S972 VanDerWaalsContact O-N 3.14Å; N968-S972 PolarHBondContact O-OG 3.33Å; S969-S972 PolarHBondContact O-N 2.99Å; C970-S972 VanDerWaalsContact C-N 3.33Å; C970-S972 PolarHBondContact O-N 3.37Å; S972-F976 VanDerWaalsContact O-CB 3.27Å; S972-F976 WeakPolarHBondContact O-CB 3.37Å; S972-F976 PolarHBondContact O-N 2.87Å
973	A	86.8	Confident	81.9	Confident	53 Å²	53	68.6 Å²	68.6	44%	0.438	39%	0.392	S	S	.	.	H	α-helix	trans	-65.9	-48.7	177.6	0	0	0	0	0	112.6	S969 C970 F971 F976 Q977	S969-A973 PolarHBondContact O-N 3.49Å; C970-A973 PolarHBondContact O-N 2.81Å; F971-A973 VanDerWaalsContact C-N 3.33Å; F971-A973 PolarHBondContact O-N 3.49Å; A973-F976 PolarHBondContact O-N 3.2Å; A973-Q977 PolarHBondContact O-N 2.91Å
974	L	86.4	Confident	81.4	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-40.6	-179.4	-72.3	166.5	0	0	0	112	V955 V966 C970 F971 F976 Q977 Q978	V955-L974 HydrophobicContact CG2-CD1 3.91Å; V966-L974 HydrophobicContact CG1-CD1 4.1Å; C970-L974 WeakPolarHBondContact O-CB 3.16Å; C970-L974 VanDerWaalsContact O-CG 3.3Å; C970-L974 WeakPolarHBondContact O-CG 3.33Å; C970-L974 PolarHBondContact O-N 3.39Å; F971-L974 PolarHBondContact O-N 2.86Å; L974-F976 VanDerWaalsContact C-N 3.33Å; L974-Q977 PolarHBondContact O-N 3.21Å; L974-Q978 WeakPolarHBondContact O-CG 3.4Å; L974-Q978 PolarHBondContact O-N 3.09Å
975	N	80.7	Confident	80.8	Confident	50 Å²	50	70.3 Å²	70.3	27%	0.267	40%	0.398	S	S	.	.	H	α-helix	trans	-68	-36	176.9	-165.1	-5	0	0	0	111.1	F971 Q978 K979	F971-N975 WeakPolarHBondContact O-CB 3.26Å; F971-N975 PolarHBondContact O-N 3.43Å; N975-Q978 PolarHBondContact O-N 3.17Å; N975-K979 WeakPolarHBondContact O-CG 3.48Å; N975-K979 PolarHBondContact O-N 2.92Å
976	F	77.7	Confident	79.9	Confident	143 Å²	143	71 Å²	71	63%	0.627	41%	0.408	S	S	*	.	H	α-helix	trans	-63.5	-46.5	170.9	-175.6	-96.9	0	0	0	111.6	S972 A973 L974 Q978 K979 V980	S972-F976 VanDerWaalsContact O-CB 3.27Å; S972-F976 WeakPolarHBondContact O-CB 3.37Å; S972-F976 PolarHBondContact O-N 2.87Å; A973-F976 PolarHBondContact O-N 3.2Å; L974-F976 VanDerWaalsContact C-N 3.33Å; F976-Q978 VanDerWaalsContact C-N 3.34Å; F976-Q978 PolarHBondContact O-N 2.92Å; F976-K979 PolarHBondContact O-N 3.16Å; F976-V980 HydrophobicContact CD1-CG2 4.05Å; F976-V980 HydrophobicContact CE1-CG2 3.68Å; F976-V980 HydrophobicContact CE2-CG2 4.46Å; F976-V980 HydrophobicContact CZ-CG2 3.91Å; F976-V980 WeakPolarHBondContact O-CG2 3.32Å; F976-V980 PolarHBondContact O-N 3.18Å
977	Q	70.4	Confident	78.9	Confident	87 Å²	87	75.4 Å²	75.4	41%	0.407	43%	0.434	S	S	.	.	H	α-helix	trans	-58.7	-43.4	174.3	-91.8	175.8	-48.6	0	0	112.3	A973 L974 K979 V980 N981	A973-Q977 PolarHBondContact O-N 2.91Å; L974-Q977 PolarHBondContact O-N 3.21Å; Q977-K979 VanDerWaalsContact C-N 3.3Å; Q977-K979 PolarHBondContact O-N 3.2Å; Q977-V980 PolarHBondContact O-N 3.25Å; Q977-V980 VanDerWaalsContact O-N 3.14Å; Q977-N981 WeakPolarHBondContact O-CB 3.45Å; Q977-N981 VanDerWaalsContact O-CG 3.26Å; Q977-N981 PolarHBondContact O-N 3.45Å
978	Q	68.3	Low	77.7	Confident	67 Å²	67	80.1 Å²	80.1	31%	0.313	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-37.4	177.3	-75.7	175.1	3.9	0	0	112.2	C953 L974 N975 F976 V980 N981 A982	C953-Q978 PolarHBondContact SG-NE2 2.84Å; L974-Q978 WeakPolarHBondContact O-CG 3.4Å; L974-Q978 PolarHBondContact O-N 3.09Å; N975-Q978 PolarHBondContact O-N 3.17Å; F976-Q978 VanDerWaalsContact C-N 3.34Å; F976-Q978 PolarHBondContact O-N 2.92Å; Q978-V980 VanDerWaalsContact C-N 3.35Å; Q978-N981 PolarHBondContact O-N 3.31Å; Q978-A982 VanDerWaalsContact O-CB 3.27Å; Q978-A982 WeakPolarHBondContact O-CB 3.47Å; Q978-A982 PolarHBondContact O-N 3.32Å
979	K	71.6	Confident	76.5	Confident	148 Å²	148	81.5 Å²	81.5	64%	0.643	47%	0.47	S	S	*	.	H	α-helix	trans	-73.8	-21.5	174.4	-73.1	-178.5	-179.2	-173	0	114.7	N975 F976 Q977 A982	N975-K979 WeakPolarHBondContact O-CG 3.48Å; N975-K979 PolarHBondContact O-N 2.92Å; F976-K979 PolarHBondContact O-N 3.16Å; Q977-K979 VanDerWaalsContact C-N 3.3Å; Q977-K979 PolarHBondContact O-N 3.2Å; K979-A982 VanDerWaalsContact O-OXT 3.09Å
980	V	59.4	Low	75.3	Confident	94 Å²	94	80.8 Å²	80.8	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-84.1	-32.5	174.2	170.7	0	0	0	0	110.6	F976 Q977 Q978	F976-V980 HydrophobicContact CD1-CG2 4.05Å; F976-V980 HydrophobicContact CE1-CG2 3.68Å; F976-V980 HydrophobicContact CE2-CG2 4.46Å; F976-V980 HydrophobicContact CZ-CG2 3.91Å; F976-V980 WeakPolarHBondContact O-CG2 3.32Å; F976-V980 PolarHBondContact O-N 3.18Å; Q977-V980 PolarHBondContact O-N 3.25Å; Q977-V980 VanDerWaalsContact O-N 3.14Å; Q978-V980 VanDerWaalsContact C-N 3.35Å
981	N	54.4	Low	73.7	Confident	125 Å²	125	86.2 Å²	86.2	67%	0.668	49%	0.486	S	S	*	.	H	α-helix	trans	-79.8	-30.2	178	-70.4	-8.8	0	0	0	113	Q977 Q978	Q977-N981 WeakPolarHBondContact O-CB 3.45Å; Q977-N981 VanDerWaalsContact O-CG 3.26Å; Q977-N981 PolarHBondContact O-N 3.45Å; Q978-N981 PolarHBondContact O-N 3.31Å
982	A	46.4	Very low	71.9	Confident	132 Å²	132	90.1 Å²	90.1	100%	1.091	51%	0.513	S	S	*	.			trans	-81.8	0	170.2	0	0	0	0	0	110.5	Q978 K979	Q978-A982 VanDerWaalsContact O-CB 3.27Å; Q978-A982 WeakPolarHBondContact O-CB 3.47Å; Q978-A982 PolarHBondContact O-N 3.32Å; K979-A982 VanDerWaalsContact O-OXT 3.09Å

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