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N(6)-L-threonylcarbamoyladenine synthase

Required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in mitochondrial tRNAs that read codons beginning with adenine. Probably involved in the transfer of the threonylcarbamoyl moiety of threonylcarbamoyl-AMP (TC-AMP) to the N6 group of A37. Involved in mitochondrial genome maintenance.

AlphaFold DB , UniProt , Accession A0A077Z420, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 434 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	30.2	Very low	246 Å²	246	127.4 Å²	127.4	100%	1.212	68%	0.678	S	S	*	*				0	77.8	0	-71.2	-170.8	-174.6	0	0	109.9	A3	M1-A3 PolarHBondContact O-N 2.96Å
2	L	31.7	Very low	30.4	Very low	175 Å²	175	123.1 Å²	123.1	92%	0.916	67%	0.674	S	S	*	*			trans	-77.7	110	160.3	-80.2	161.6	0	0	0	105.1	K4	L2-K4 PolarHBondContact O-N 2.71Å
3	A	30.3	Very low	30.9	Very low	91 Å²	91	122.5 Å²	122.5	75%	0.752	67%	0.667	S	S	*	*			trans	-49.1	127.7	173.8	0	0	0	0	0	107.7	M1 S5	M1-A3 PolarHBondContact O-N 2.96Å; A3-S5 PolarHBondContact O-N 3.48Å
4	K	27.8	Very low	31.3	Very low	169 Å²	169	117.6 Å²	117.6	74%	0.735	64%	0.638	S	S	*	*			trans	-57	89.3	169.9	-75.3	174.5	177.3	173.3	0	107.3	L2 R6	L2-K4 PolarHBondContact O-N 2.71Å; K4-R6 HydrophobicContact CB-CG 4.28Å; K4-R6 PolarHBondContact O-N 3.37Å
5	S	30.6	Very low	31.4	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	65%	0.651	S	S	*	*			trans	-72.2	66.9	157.7	60.1	0	0	0	0	106.5	A3 L7	A3-S5 PolarHBondContact O-N 3.48Å; S5-L7 PolarHBondContact O-N 2.86Å
6	R	28.8	Very low	31.7	Very low	147 Å²	147	121.9 Å²	121.9	56%	0.555	66%	0.659	S	S	*	*			trans	-58.9	118.5	161.6	-82.7	179.4	176.2	-159.4	-3.9	104.4	K4 Y8	K4-R6 HydrophobicContact CB-CG 4.28Å; K4-R6 PolarHBondContact O-N 3.37Å; R6-Y8 HydrophobicContact CB-CD2 3.56Å; R6-Y8 HydrophobicContact CB-CE2 3.76Å; R6-Y8 HydrophobicContact CB-CG 4.41Å; R6-Y8 HydrophobicContact CG-CD2 4.42Å; R6-Y8 HydrophobicContact CG-CE2 4.12Å; R6-Y8 PolarHBondContact NH1-OH 2.87Å; R6-Y8 PolarHBondContact O-N 2.97Å
7	L	30.2	Very low	32.2	Very low	94 Å²	94	119.9 Å²	119.9	49%	0.492	64%	0.64	S	S	.	*			trans	-65.8	67.1	167.4	-100.9	131.8	0	0	0	108.4	S5 L9 L183	S5-L7 PolarHBondContact O-N 2.86Å; L7-L9 HydrophobicContact CD2-CB 4.31Å; L7-L9 HydrophobicContact CD2-CD1 3.88Å; L7-L9 PolarHBondContact O-N 3.04Å; L7-L183 HydrophobicContact CD1-CB 4.17Å; L7-L183 HydrophobicContact CD1-CD2 4.32Å
8	Y	26.8	Very low	32.2	Very low	158 Å²	158	117.7 Å²	117.7	62%	0.62	64%	0.642	S	S	*	*			trans	-78	65.5	160.7	-77.3	-64.9	0	0	0	107.8	R6	R6-Y8 HydrophobicContact CB-CD2 3.56Å; R6-Y8 HydrophobicContact CB-CE2 3.76Å; R6-Y8 HydrophobicContact CB-CG 4.41Å; R6-Y8 HydrophobicContact CG-CD2 4.42Å; R6-Y8 HydrophobicContact CG-CE2 4.12Å; R6-Y8 PolarHBondContact NH1-OH 2.87Å; R6-Y8 PolarHBondContact O-N 2.97Å
9	L	31.3	Very low	32.3	Very low	89 Å²	89	117.9 Å²	117.9	47%	0.466	64%	0.642	S	S	.	*			trans	-107.7	-1.7	176.6	-102.6	144.4	0	0	0	113.2	L7	L7-L9 HydrophobicContact CD2-CB 4.31Å; L7-L9 HydrophobicContact CD2-CD1 3.88Å; L7-L9 PolarHBondContact O-N 3.04Å
10	S	36.4	Very low	32.3	Very low	58 Å²	58	119.8 Å²	119.8	41%	0.406	65%	0.646	S	S	.	*	S	Bend	trans	-82.6	-35.5	169.7	157.1	0	0	0	0	112.4	H14	S10-H14 PolarHBondContact O-CD2 3.07Å
11	A	30.5	Very low	32.5	Very low	68 Å²	68	119.4 Å²	119.4	56%	0.562	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-23.6	-171.9	0	0	0	0	0	115.6
12	A	33.1	Very low	32.7	Very low	76 Å²	76	117.8 Å²	117.8	63%	0.628	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-26.7	-169.1	0	0	0	0	0	114.4
13	I	36.2	Very low	32.7	Very low	115 Å²	115	115.2 Å²	115.2	59%	0.59	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-18	-177.7	-60.4	176.8	0	0	0	111.9
14	H	37	Very low	33.3	Very low	55 Å²	55	113.8 Å²	113.8	26%	0.255	61%	0.605	S	S	.	*			trans	-94.1	14	-174.8	-76.5	-75.2	0	0	0	115.8	S10 S16	S10-H14 PolarHBondContact O-CD2 3.07Å; H14-S16 PolarHBondContact O-N 3.39Å
15	K	33.2	Very low	33.7	Very low	191 Å²	191	109.8 Å²	109.8	83%	0.83	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	7.1	-174.8	-101.5	-172.8	-179.7	-176.3	0	116.6
16	S	35.6	Very low	34.3	Very low	112 Å²	112	112 Å²	112	78%	0.783	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	3.6	-178.7	-53.9	0	0	0	0	116.5	H14	H14-S16 PolarHBondContact O-N 3.39Å
17	Y	39.5	Very low	35	Very low	88 Å²	88	112.8 Å²	112.8	35%	0.345	61%	0.606	S	S	.	*	S	Bend	trans	-101.5	121.9	174.1	-57.7	-75.1	0	0	0	109.7	L19 P398	Y17-L19 PolarHBondContact O-N 3.24Å; Y17-P398 WeakPolarHBondContact OH-CD 3.41Å; Y17-P398 WeakPolarHBondContact OH-CG 3.25Å
18	A	33.3	Very low	36	Very low	80 Å²	80	115.7 Å²	115.7	66%	0.661	62%	0.621	S	S	*	*			trans	-62.7	104.7	175.6	0	0	0	0	0	109.1	Q20	A18-Q20 PolarHBondContact O-N 3.01Å
19	L	33.3	Very low	37.6	Very low	123 Å²	123	110.8 Å²	110.8	64%	0.644	61%	0.61	S	S	*	*			trans	-66.6	84.4	166.4	-74.9	162.8	0	0	0	108.2	Y17 V21	Y17-L19 PolarHBondContact O-N 3.24Å; L19-V21 VanDerWaalsContact C-N 3.26Å; L19-V21 PolarHBondContact O-N 3.38Å
20	Q	33.1	Very low	40.2	Very low	155 Å²	155	115 Å²	115	72%	0.724	62%	0.62	S	S	*	*			trans	-75.9	87.1	162.4	-83.9	-165.7	-13.8	0	0	108.4	A18 R22	A18-Q20 PolarHBondContact O-N 3.01Å; Q20-R22 PolarHBondContact O-N 3.24Å
21	V	36.1	Very low	42.9	Very low	111 Å²	111	112.4 Å²	112.4	67%	0.673	60%	0.601	S	S	*	*			trans	-69.1	96.3	165.7	-177	0	0	0	0	107	L19 C23	L19-V21 VanDerWaalsContact C-N 3.26Å; L19-V21 PolarHBondContact O-N 3.38Å; V21-C23 PolarHBondContact O-N 2.88Å
22	R	31	Very low	46.1	Very low	212 Å²	212	110.1 Å²	110.1	80%	0.8	58%	0.58	S	S	*	*			trans	-63.9	121.2	156.3	-86.6	-172.7	173.5	-170.5	-0.9	106.1	Q20 V24	Q20-R22 PolarHBondContact O-N 3.24Å; R22-V24 PolarHBondContact O-N 3.5Å
23	C	32.6	Very low	49.2	Very low	121 Å²	121	106.5 Å²	106.5	82%	0.818	55%	0.551	S	S	*	*			trans	-64	88.1	166.1	-168.1	0	0	0	0	107.1	V21 S25	V21-C23 PolarHBondContact O-N 2.88Å; C23-S25 PolarHBondContact O-N 2.93Å
24	V	41.9	Very low	52.2	Low	61 Å²	61	101 Å²	101	37%	0.37	52%	0.522	S	S	.	.			trans	-68	115.4	170.7	-179.4	0	0	0	0	105.3	R22 Q26 C29	R22-V24 PolarHBondContact O-N 3.5Å; V24-Q26 PolarHBondContact O-N 3.01Å; V24-C29 HydrophobicContact CG1-CB 4.09Å
25	S	37.7	Very low	55.2	Low	85 Å²	85	98.4 Å²	98.4	59%	0.594	51%	0.51	S	S	*	.			trans	-46.4	114.5	178.6	-179.6	0	0	0	0	110.2	C23 H27	C23-S25 PolarHBondContact O-N 2.93Å; S25-H27 PolarHBondContact O-N 3.32Å
26	Q	43.1	Very low	58.3	Low	154 Å²	154	89.4 Å²	89.4	72%	0.72	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.5	-167.4	-70.2	-176.9	-19.7	0	0	114.6	V24	V24-Q26 PolarHBondContact O-N 3.01Å
27	H	42.4	Very low	61.3	Low	162 Å²	162	84 Å²	84	75%	0.75	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-4.9	-167.5	-74.6	-9.8	0	0	0	116.6	S25	S25-H27 PolarHBondContact O-N 3.32Å
28	L	51.6	Low	64	Low	155 Å²	155	79.9 Å²	79.9	81%	0.812	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	-11	-179.7	-90.4	119.7	0	0	0	117.4	R30	L28-R30 PolarHBondContact O-N 2.84Å
29	C	59.9	Low	67	Low	56 Å²	56	76 Å²	76	38%	0.378	39%	0.386	S	S	.	.			trans	-82.9	123.4	178.2	-73.6	0	0	0	0	111.1	V24 P31 R50	V24-C29 HydrophobicContact CG1-CB 4.09Å; C29-P31 WeakPolarHBondContact O-CD 3.37Å; C29-R50 PolarHBondContact O-NH1 2.81Å
30	R	86.2	Confident	69.8	Low	177 Å²	177	71.1 Å²	71.1	67%	0.668	36%	0.361	S	S	*	.			trans	-91.8	83.8	160.8	-70.2	-175.2	168.2	157	4.2	107.5	L28 V32 E51	L28-R30 PolarHBondContact O-N 2.84Å; R30-V32 PolarHBondContact O-N 2.91Å; R30-E51 VanDerWaalsContact CD-OE1 3.29Å; R30-E51 WeakPolarHBondContact CD-OE1 3.46Å; R30-E51 WeakPolarHBondContact CG-OE1 3.47Å; R30-E51 IonicContact CZ-OE1 3.22Å; R30-E51 IonicContact NE-OE1 3.59Å; R30-E51 PolarHBondContact NE-OE1 3.01Å; R30-E51 IonicContact NE-OE2 3.84Å
31	P	94	Very high	72.5	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.026	33%	0.332	C	S	.	.			trans	-57.9	133.6	-179.1	23.6	-35.6	0	0	0	110.9	C29 D49 R50 D104 Y387 V388	C29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-D49 CarbonylContact O-C 3.58Å; P31-D49 WeakPolarHBondContact O-CA 3.32Å; P31-R50 HydrophobicContact CG-CB 3.95Å; P31-R50 HydrophobicContact CG-CG 4.4Å; P31-R50 PolarHBondContact O-N 3.49Å; P31-R50 VanDerWaalsContact O-N 3.1Å; P31-D104 WeakPolarHBondContact CA-OD2 3.21Å; P31-Y387 HydrophobicContact CB-CD1 3.46Å; P31-Y387 VanDerWaalsContact CB-CD1 3.46Å; P31-Y387 HydrophobicContact CB-CE1 3.73Å; P31-Y387 HydrophobicContact CB-CG 4.1Å; P31-Y387 HydrophobicContact CG-CD1 3.94Å; P31-Y387 HydrophobicContact CG-CE1 4.42Å; P31-V388 HydrophobicContact CG-CG2 3.93Å
32	V	97.8	Very high	75.3	Confident	20 Å²	20	60 Å²	60	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123	172	-179.2	0	0	0	0	108.2	R30 V47 D49 L55 L98 V103 D104	R30-V32 PolarHBondContact O-N 2.91Å; V32-V47 HydrophobicContact CG1-CG1 3.37Å; V32-D49 HydrophobicContact CG2-CB 4.28Å; V32-L55 HydrophobicContact CG1-CD1 4Å; V32-L55 HydrophobicContact CG2-CD1 4.38Å; V32-L98 HydrophobicContact CG1-CD1 3.8Å; V32-V103 HydrophobicContact CG1-CG1 4.25Å; V32-V103 CarbonylContact O-C 3.59Å; V32-D104 PolarHBondContact N-OD2 2.88Å; V32-D104 PolarHBondContact O-N 2.9Å
33	V	98.5	Very high	78.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.8	-175.7	178.9	0	0	0	0	110.6	V47 V48 A105 A107 V384	V33-V47 WeakPolarHBondContact O-CA 3.41Å; V33-V48 PolarHBondContact N-O 2.74Å; V33-V48 PolarHBondContact O-N 3.05Å; V33-A105 HydrophobicContact CG2-CB 4.35Å; V33-A107 HydrophobicContact CG1-CB 3.69Å; V33-V384 HydrophobicContact CB-CG2 3.83Å; V33-V384 HydrophobicContact CG2-CB 4.48Å; V33-V384 HydrophobicContact CG2-CG2 3.72Å
34	L	98.8	Very high	81.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.2	167.3	172.6	64.5	0	0	0	109.3	I36 A46 V47 V89 L100 V103 A105 I106 A107 L128	L34-I36 HydrophobicContact CD2-CD1 4.41Å; L34-I36 HydrophobicContact CG-CG1 4.33Å; L34-A46 CarbonylContact C-O 3.46Å; L34-A46 WeakPolarHBondContact CA-O 3.4Å; L34-V47 HydrophobicContact CD1-CG2 3.98Å; L34-V89 HydrophobicContact CD1-CG1 4.36Å; L34-V89 HydrophobicContact CD2-CG1 3.93Å; L34-L100 HydrophobicContact CD2-CD1 4.09Å; L34-V103 HydrophobicContact CB-CG1 4.31Å; L34-V103 HydrophobicContact CB-CG2 4.41Å; L34-A105 PolarHBondContact N-O 3.25Å; L34-A105 VanDerWaalsContact N-O 3.12Å; L34-I106 HydrophobicContact CD2-CG2 4.31Å; L34-I106 HydrophobicContact CG-CG2 4.47Å; L34-I106 CarbonylContact O-C 3.44Å; L34-I106 WeakPolarHBondContact O-CA 3.19Å; L34-A107 PolarHBondContact O-N 3.14Å; L34-L128 HydrophobicContact CD2-CD1 4.02Å
35	G	98.8	Very high	84.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.4	172.8	0	0	0	0	0	112.3	A45 A46 A107	G35-A45 WeakPolarHBondContact O-CA 3.42Å; G35-A46 PolarHBondContact N-O 3.18Å; G35-A46 PolarHBondContact O-N 2.88Å; G35-A107 CarbonylContact C-O 3.57Å; G35-A107 VanDerWaalsContact CA-O 3.3Å; G35-A107 WeakPolarHBondContact CA-O 3.39Å
36	I	98.8	Very high	87.2	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.4	178	-57.6	177.8	0	0	0	110.2	L34 I85 V89 I106 A107 V108 T109 Y124 A125 L128	L34-I36 HydrophobicContact CD2-CD1 4.41Å; L34-I36 HydrophobicContact CG-CG1 4.33Å; I36-I85 HydrophobicContact CG2-CD1 4.18Å; I36-V89 HydrophobicContact CD1-CG2 4.07Å; I36-V89 HydrophobicContact CG1-CG2 4.15Å; I36-I106 HydrophobicContact CD1-CG2 4.04Å; I36-A107 PolarHBondContact N-O 2.97Å; I36-V108 HydrophobicContact CB-CB 4.42Å; I36-V108 HydrophobicContact CB-CG2 4.11Å; I36-V108 HydrophobicContact CG2-CG2 4.28Å; I36-V108 WeakPolarHBondContact O-CA 3.32Å; I36-T109 PolarHBondContact O-N 3.02Å; I36-Y124 HydrophobicContact CD1-CD1 4.11Å; I36-A125 HydrophobicContact CD1-CB 4.12Å; I36-L128 HydrophobicContact CD1-CD1 4.23Å
37	E	98.2	Very high	89.9	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.6	-179	-178.9	49.5	-94.3	0	0	110.5	S39 G44 T109 H141 D374 M378 I379	E37-S39 WeakPolarHBondContact OE1-CA 3.37Å; E37-S39 WeakPolarHBondContact OE1-CB 3.43Å; E37-S39 PolarHBondContact OE1-N 2.98Å; E37-S39 PolarHBondContact OE1-OG 3.44Å; E37-G44 PolarHBondContact N-O 2.86Å; E37-G44 PolarHBondContact O-N 3.26Å; E37-T109 PolarHBondContact OE1-OG1 3.39Å; E37-T109 PolarHBondContact OE2-OG1 3.47Å; E37-H141 IonicContact OE1-ND1 3.25Å; E37-H141 IonicContact OE2-CE1 4Å; E37-H141 IonicContact OE2-ND1 2.81Å; E37-H141 PolarHBondContact OE2-ND1 3.4Å; E37-D374 HydrophobicContact CG-CB 4.26Å; E37-M378 HydrophobicContact CG-CE 4.06Å; E37-M378 WeakPolarHBondContact OE2-CE 3.44Å; E37-I379 HydrophobicContact CB-CG1 3.83Å; E37-I379 HydrophobicContact CG-CG1 4.34Å; E37-I379 WeakPolarHBondContact OE2-CD1 3.42Å
38	T	97.6	Very high	92.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.			trans	-152.7	27.5	-179.7	54	0	0	0	0	112	T43 I85 C117 L118 G121	T38-T43 HydrophobicContact CG2-CG2 4.29Å; T38-I85 HydrophobicContact CG2-CD1 4.05Å; T38-C117 CarbonylContact O-C 3.47Å; T38-C117 WeakPolarHBondContact O-CB 3.32Å; T38-C117 PolarHBondContact OG1-O 3.19Å; T38-L118 PolarHBondContact O-N 3.3Å; T38-G121 WeakPolarHBondContact OG1-CA 3.32Å; T38-G121 PolarHBondContact OG1-N 3.21Å
39	S	94.9	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-69.9	-34.6	-172	54.5	0	0	0	0	113.6	E37 G113 L114 H141	E37-S39 WeakPolarHBondContact OE1-CA 3.37Å; E37-S39 WeakPolarHBondContact OE1-CB 3.43Å; E37-S39 PolarHBondContact OE1-N 2.98Å; E37-S39 PolarHBondContact OE1-OG 3.44Å; S39-G113 CarbonylContact O-C 3.53Å; S39-G113 WeakPolarHBondContact O-CA 3.48Å; S39-L114 PolarHBondContact O-N 2.9Å; S39-H141 PolarHBondContact OG-CE1 3.42Å; S39-H141 VanDerWaalsContact OG-CE1 3.29Å; S39-H141 PolarHBondContact OG-ND1 2.96Å
40	C	92.4	Very high	96.3	Very high	19 Å²	19	17.9 Å²	17.9	13%	0.128	8%	0.077	C	C	.	.	S	Bend	trans	-129	-98.3	-177.7	-68.1	0	0	0	0	112.2	H81 C117	C40-H81 PolarHBondContact O-NE2 2.93Å; C40-C117 PolarHBondContact O-SG 2.82Å
41	D	90.6	Very high	96.6	Very high	20 Å²	20	13.3 Å²	13.3	11%	0.107	6%	0.064	C	C	.	.	S	Bend	trans	-122.2	-3.5	-172.3	64	-37.6	0	0	0	113.2	Q62 S66 V72	D41-Q62 HydrophobicContact CB-CB 4.06Å; D41-Q62 VanDerWaalsContact O-CB 3.23Å; D41-Q62 WeakPolarHBondContact O-CB 3.25Å; D41-Q62 VanDerWaalsContact O-CD 3.25Å; D41-Q62 WeakPolarHBondContact O-CG 3.24Å; D41-Q62 PolarHBondContact O-N 3.41Å; D41-Q62 PolarHBondContact O-NE2 3.48Å; D41-S66 WeakPolarHBondContact OD2-CB 3.4Å; D41-S66 PolarHBondContact OD2-OG 2.71Å; D41-V72 HydrophobicContact CB-CG1 3.92Å; D41-V72 HydrophobicContact CB-CG2 3.84Å
42	D	94.1	Very high	96.6	Very high	13 Å²	13	13.6 Å²	13.6	7%	0.07	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.8	175.3	-65.6	-38.8	0	0	0	111.6	L59 S61 H81 D374	D42-L59 HydrophobicContact CB-CD1 4.08Å; D42-S61 WeakPolarHBondContact OD1-CA 3.31Å; D42-S61 WeakPolarHBondContact OD1-CB 3.21Å; D42-S61 PolarHBondContact OD1-OG 3.39Å; D42-H81 PolarHBondContact O-CE1 2.98Å; D42-H81 VanDerWaalsContact O-CE1 3.22Å; D42-D374 HydrophobicContact CB-CB 4.32Å
43	T	98.2	Very high	96.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	104.4	168.5	-46.6	0	0	0	0	107.8	T38 F60 H81 I85 V88	T38-T43 HydrophobicContact CG2-CG2 4.29Å; T43-F60 PolarHBondContact N-O 2.85Å; T43-F60 PolarHBondContact O-N 2.89Å; T43-H81 PolarHBondContact OG1-ND1 3.15Å; T43-I85 HydrophobicContact CG2-CB 4.08Å; T43-I85 HydrophobicContact CG2-CG1 4.36Å; T43-V88 HydrophobicContact CG2-CB 4.26Å; T43-V88 HydrophobicContact CG2-CG1 4.38Å; T43-V88 HydrophobicContact CG2-CG2 4.17Å
44	G	98.2	Very high	96.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.8	-177.8	0	0	0	0	0	112.1	E37	E37-G44 PolarHBondContact N-O 2.86Å; E37-G44 PolarHBondContact O-N 3.26Å
45	A	98.8	Very high	96.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145	166.5	0	0	0	0	0	111	G35 E57 D58 V88 V89 A92	G35-A45 WeakPolarHBondContact O-CA 3.42Å; A45-E57 CarbonylContact O-C 3.53Å; A45-E57 WeakPolarHBondContact O-CA 2.99Å; A45-D58 PolarHBondContact N-O 3.44Å; A45-D58 PolarHBondContact O-N 2.79Å; A45-V88 HydrophobicContact CB-CG1 3.79Å; A45-V89 HydrophobicContact CB-CB 4.33Å; A45-V89 HydrophobicContact CB-CG2 3.7Å; A45-A92 HydrophobicContact CB-CB 3.87Å
46	A	98.7	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.6	174.3	0	0	0	0	0	112	L34 G35 V48 G56 E57 G376 V377 A380	L34-A46 CarbonylContact C-O 3.46Å; L34-A46 WeakPolarHBondContact CA-O 3.4Å; G35-A46 PolarHBondContact N-O 3.18Å; G35-A46 PolarHBondContact O-N 2.88Å; A46-V48 HydrophobicContact CB-CG2 4.47Å; A46-G56 CarbonylContact C-O 3.58Å; A46-G56 VanDerWaalsContact CA-O 3.24Å; A46-G56 WeakPolarHBondContact CA-O 3.46Å; A46-E57 HydrophobicContact CB-CB 3.84Å; A46-G376 VanDerWaalsContact CB-C 3.45Å; A46-V377 HydrophobicContact CB-CB 4.22Å; A46-V377 HydrophobicContact CB-CG2 3.53Å; A46-A380 HydrophobicContact CB-CB 4.43Å
47	V	98.7	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.1	174.2	-174.1	0	0	0	0	107.7	V32 V33 L34 L55 G56 L93 L98 V103	V32-V47 HydrophobicContact CG1-CG1 3.37Å; V33-V47 WeakPolarHBondContact O-CA 3.41Å; L34-V47 HydrophobicContact CD1-CG2 3.98Å; V47-L55 HydrophobicContact CB-CB 4.42Å; V47-L55 HydrophobicContact CG1-CB 4.36Å; V47-L55 HydrophobicContact CG1-CD1 4.23Å; V47-L55 PolarHBondContact O-N 2.85Å; V47-G56 PolarHBondContact N-O 3.08Å; V47-G56 PolarHBondContact O-N 3.4Å; V47-L93 HydrophobicContact CG2-CD2 3.95Å; V47-L93 HydrophobicContact CG2-CG 4.47Å; V47-L98 HydrophobicContact CG1-CD1 4.16Å; V47-V103 HydrophobicContact CG1-CG1 4.31Å
48	V	98.3	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.3	-174.9	-179	0	0	0	0	109.8	V33 A46 N53 I54 L151 V377 A380 W381 V384	V33-V48 PolarHBondContact N-O 2.74Å; V33-V48 PolarHBondContact O-N 3.05Å; A46-V48 HydrophobicContact CB-CG2 4.47Å; V48-N53 WeakPolarHBondContact CA-O 3.29Å; V48-I54 HydrophobicContact CG2-CG1 4.45Å; V48-L151 HydrophobicContact CG1-CD1 4.15Å; V48-V377 HydrophobicContact CG2-CG1 4.3Å; V48-A380 HydrophobicContact CB-CB 3.85Å; V48-A380 HydrophobicContact CG2-CB 3.56Å; V48-W381 HydrophobicContact CG1-CE3 3.86Å; V48-V384 HydrophobicContact CG1-CG2 4.46Å
49	D	96.5	Very high	96.2	Very high	16 Å²	16	31.6 Å²	31.6	9%	0.086	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	175.6	175.9	70.9	13.5	0	0	0	113.2	P31 V32 E51 G52 N53 L55	P31-D49 CarbonylContact O-C 3.58Å; P31-D49 WeakPolarHBondContact O-CA 3.32Å; V32-D49 HydrophobicContact CG2-CB 4.28Å; D49-E51 VanDerWaalsContact C-N 3.28Å; D49-E51 PolarHBondContact O-N 2.75Å; D49-E51 WeakPolarHBondContact OD1-CA 3.17Å; D49-E51 WeakPolarHBondContact OD1-CB 3.06Å; D49-E51 PolarHBondContact OD1-N 3Å; D49-E51 VanDerWaalsContact OD1-N 3.09Å; D49-G52 PolarHBondContact O-N 3.37Å; D49-G52 VanDerWaalsContact O-N 3.07Å; D49-G52 PolarHBondContact OD1-N 3.5Å; D49-N53 PolarHBondContact N-O 2.87Å; D49-N53 WeakPolarHBondContact OD1-CB 3.44Å; D49-N53 PolarHBondContact OD1-N 2.93Å; D49-N53 PolarHBondContact OD1-ND2 2.85Å; D49-N53 WeakPolarHBondContact OD2-CB 3.23Å; D49-N53 PolarHBondContact OD2-ND2 3.25Å; D49-L55 HydrophobicContact CB-CD1 4.3Å
50	R	94	Very high	96.3	Very high	102 Å²	102	34.5 Å²	34.5	39%	0.385	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.6	176.4	-174.1	176.1	173.8	-174.8	1.2	113.3	C29 P31 G52 R154 V384 V388	C29-R50 PolarHBondContact O-NH1 2.81Å; P31-R50 HydrophobicContact CG-CB 3.95Å; P31-R50 HydrophobicContact CG-CG 4.4Å; P31-R50 PolarHBondContact O-N 3.49Å; P31-R50 VanDerWaalsContact O-N 3.1Å; R50-G52 PolarHBondContact O-N 2.85Å; R50-R154 PolarHBondContact O-NH2 3.31Å; R50-V384 HydrophobicContact CB-CG1 4.48Å; R50-V388 HydrophobicContact CG-CG2 4.29Å
51	E	92.8	Very high	96.3	Very high	82 Å²	82	35.7 Å²	35.7	38%	0.383	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12	177.5	-70.4	77.6	-173.6	0	0	112.6	R30 D49 N53 R154	R30-E51 VanDerWaalsContact CD-OE1 3.29Å; R30-E51 WeakPolarHBondContact CD-OE1 3.46Å; R30-E51 WeakPolarHBondContact CG-OE1 3.47Å; R30-E51 IonicContact CZ-OE1 3.22Å; R30-E51 IonicContact NE-OE1 3.59Å; R30-E51 PolarHBondContact NE-OE1 3.01Å; R30-E51 IonicContact NE-OE2 3.84Å; D49-E51 VanDerWaalsContact C-N 3.28Å; D49-E51 PolarHBondContact O-N 2.75Å; D49-E51 WeakPolarHBondContact OD1-CA 3.17Å; D49-E51 WeakPolarHBondContact OD1-CB 3.06Å; D49-E51 PolarHBondContact OD1-N 3Å; D49-E51 VanDerWaalsContact OD1-N 3.09Å; E51-N53 WeakPolarHBondContact CB-ND2 3.36Å; E51-R154 PolarHBondContact O-NH2 3.32Å
52	G	92.9	Very high	96.2	Very high	10 Å²	10	35 Å²	35	10%	0.103	18%	0.178	C	C	.	.			trans	86.4	13.5	177.1	0	0	0	0	0	113.1	D49 R50 I54	D49-G52 PolarHBondContact O-N 3.37Å; D49-G52 VanDerWaalsContact O-N 3.07Å; D49-G52 PolarHBondContact OD1-N 3.5Å; R50-G52 PolarHBondContact O-N 2.85Å; G52-I54 PolarHBondContact O-N 3.22Å
53	N	95.6	Very high	95.7	Very high	85 Å²	85	38.7 Å²	38.7	46%	0.455	19%	0.194	S	C	.	.			trans	-72	127.2	173.2	-53.7	-54.4	0	0	0	107.9	V48 D49 E51 L55	V48-N53 WeakPolarHBondContact CA-O 3.29Å; D49-N53 PolarHBondContact N-O 2.87Å; D49-N53 WeakPolarHBondContact OD1-CB 3.44Å; D49-N53 PolarHBondContact OD1-N 2.93Å; D49-N53 PolarHBondContact OD1-ND2 2.85Å; D49-N53 WeakPolarHBondContact OD2-CB 3.23Å; D49-N53 PolarHBondContact OD2-ND2 3.25Å; E51-N53 WeakPolarHBondContact CB-ND2 3.36Å; N53-L55 HydrophobicContact CB-CD2 3.91Å; N53-L55 PolarHBondContact O-N 3.26Å
54	I	97	Very high	94.9	Very high	64 Å²	64	42.1 Å²	42.1	33%	0.328	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	97.6	168	-57	166.3	0	0	0	105.5	V48 G52 E57 L151 V377	V48-I54 HydrophobicContact CG2-CG1 4.45Å; G52-I54 PolarHBondContact O-N 3.22Å; I54-E57 HydrophobicContact CG2-CB 4.07Å; I54-E57 HydrophobicContact CG2-CG 4.19Å; I54-L151 HydrophobicContact CG1-CD1 4.33Å; I54-V377 HydrophobicContact CD1-CG1 3.81Å; I54-V377 HydrophobicContact CD1-CG2 4.03Å; I54-V377 HydrophobicContact CG1-CG1 3.9Å; I54-V377 HydrophobicContact CG1-CG2 4.2Å; I54-V377 HydrophobicContact CG2-CG2 3.9Å
55	L	97.8	Very high	94.1	Very high	57 Å²	57	45.4 Å²	45.4	30%	0.298	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-39	-176.5	-57.1	-177.2	0	0	0	110.4	V32 V47 D49 N53 S96 L98	V32-L55 HydrophobicContact CG1-CD1 4Å; V32-L55 HydrophobicContact CG2-CD1 4.38Å; V47-L55 HydrophobicContact CB-CB 4.42Å; V47-L55 HydrophobicContact CG1-CB 4.36Å; V47-L55 HydrophobicContact CG1-CD1 4.23Å; V47-L55 PolarHBondContact O-N 2.85Å; D49-L55 HydrophobicContact CB-CD1 4.3Å; N53-L55 HydrophobicContact CB-CD2 3.91Å; N53-L55 PolarHBondContact O-N 3.26Å; L55-S96 WeakPolarHBondContact O-CA 3.24Å; L55-L98 HydrophobicContact CD1-CD1 3.83Å
56	G	98.1	Very high	93	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	144.5	173.8	0	0	0	0	0	111.1	A46 V47	A46-G56 CarbonylContact C-O 3.58Å; A46-G56 VanDerWaalsContact CA-O 3.24Å; A46-G56 WeakPolarHBondContact CA-O 3.46Å; V47-G56 PolarHBondContact N-O 3.08Å; V47-G56 PolarHBondContact O-N 3.4Å
57	E	98	Very high	92	Very high	85 Å²	85	47.8 Å²	47.8	40%	0.397	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.6	176.9	66.7	177	161	0	0	110.8	A45 A46 I54 R95 V377	A45-E57 CarbonylContact O-C 3.53Å; A45-E57 WeakPolarHBondContact O-CA 2.99Å; A46-E57 HydrophobicContact CB-CB 3.84Å; I54-E57 HydrophobicContact CG2-CB 4.07Å; I54-E57 HydrophobicContact CG2-CG 4.19Å; E57-R95 VanDerWaalsContact O-CD 3.27Å; E57-R95 WeakPolarHBondContact O-CD 3.01Å; E57-R95 PolarHBondContact O-NH1 3.16Å; E57-V377 HydrophobicContact CB-CG2 4.15Å; E57-V377 WeakPolarHBondContact OE2-CG2 3.38Å
58	D	98.1	Very high	90.8	Very high	27 Å²	27	57.4 Å²	57.4	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.8	166.2	-158.2	36.9	0	0	0	110.2	A45 V88 N91 R95	A45-D58 PolarHBondContact N-O 3.44Å; A45-D58 PolarHBondContact O-N 2.79Å; D58-V88 HydrophobicContact CB-CG1 4.19Å; D58-V88 WeakPolarHBondContact O-CG1 3.28Å; D58-N91 HydrophobicContact CB-CB 3.83Å; D58-N91 VanDerWaalsContact OD2-CB 3.27Å; D58-N91 WeakPolarHBondContact OD2-CB 3.33Å; D58-N91 PolarHBondContact OD2-ND2 2.81Å; D58-R95 IonicContact OD1-CZ 2.81Å; D58-R95 VanDerWaalsContact OD1-CZ 3.25Å; D58-R95 IonicContact OD1-NH1 3.53Å; D58-R95 PolarHBondContact OD1-NH1 2.75Å; D58-R95 IonicContact OD1-NH2 3.73Å; D58-R95 PolarHBondContact OD1-NH2 3.27Å
59	L	97.3	Very high	89.6	Confident	76 Å²	76	62.9 Å²	62.9	40%	0.398	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	121.3	-175.6	-178	67.3	0	0	0	109.7	D42	D42-L59 HydrophobicContact CB-CD1 4.08Å
60	F	96.5	Very high	88.3	Confident	60 Å²	60	63.6 Å²	63.6	26%	0.263	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.6	164.9	175.9	-93.5	0	0	0	108.8	T43 Q62 Q80 K84 V88	T43-F60 PolarHBondContact N-O 2.85Å; T43-F60 PolarHBondContact O-N 2.89Å; F60-Q62 HydrophobicContact CD1-CG 4.35Å; F60-Q62 HydrophobicContact CE1-CG 3.68Å; F60-Q62 HydrophobicContact CZ-CG 4.49Å; F60-Q80 HydrophobicContact CE1-CB 4.01Å; F60-Q80 HydrophobicContact CE1-CG 4.47Å; F60-K84 HydrophobicContact CB-CB 4.32Å; F60-K84 HydrophobicContact CD1-CB 4.03Å; F60-K84 HydrophobicContact CD1-CD 4.47Å; F60-K84 HydrophobicContact CD1-CG 3.66Å; F60-K84 HydrophobicContact CD2-CD 4.04Å; F60-K84 HydrophobicContact CD2-CG 4.11Å; F60-K84 HydrophobicContact CE1-CG 3.79Å; F60-K84 HydrophobicContact CE2-CD 4.11Å; F60-K84 HydrophobicContact CE2-CG 4.23Å; F60-K84 HydrophobicContact CG-CB 4.1Å; F60-K84 HydrophobicContact CG-CD 4.21Å; F60-K84 HydrophobicContact CG-CG 3.82Å; F60-K84 HydrophobicContact CZ-CD 4.36Å; F60-K84 HydrophobicContact CZ-CG 4.07Å; F60-V88 HydrophobicContact CB-CG2 3.82Å
61	S	92.2	Very high	87.5	Confident	45 Å²	45	60.4 Å²	60.4	32%	0.315	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.6	-179.8	-176.8	0	0	0	0	112.5	D42 Q63	D42-S61 WeakPolarHBondContact OD1-CA 3.31Å; D42-S61 WeakPolarHBondContact OD1-CB 3.21Å; D42-S61 PolarHBondContact OD1-OG 3.39Å; S61-Q63 WeakPolarHBondContact OG-CB 3.41Å; S61-Q63 PolarHBondContact OG-N 3.13Å
62	Q	89.5	Confident	87.1	Confident	6 Å²	6	59 Å²	59	3%	0.028	31%	0.313	C	S	.	.			trans	-101.9	9.9	172.9	-60.6	172.3	74.8	0	0	112.4	D41 F60 S64 Y65 S66 Q80	D41-Q62 HydrophobicContact CB-CB 4.06Å; D41-Q62 VanDerWaalsContact O-CB 3.23Å; D41-Q62 WeakPolarHBondContact O-CB 3.25Å; D41-Q62 VanDerWaalsContact O-CD 3.25Å; D41-Q62 WeakPolarHBondContact O-CG 3.24Å; D41-Q62 PolarHBondContact O-N 3.41Å; D41-Q62 PolarHBondContact O-NE2 3.48Å; F60-Q62 HydrophobicContact CD1-CG 4.35Å; F60-Q62 HydrophobicContact CE1-CG 3.68Å; F60-Q62 HydrophobicContact CZ-CG 4.49Å; Q62-S64 VanDerWaalsContact C-N 3.26Å; Q62-S64 PolarHBondContact O-N 2.74Å; Q62-S64 VanDerWaalsContact O-N 3.15Å; Q62-Y65 WeakPolarHBondContact O-CA 3.31Å; Q62-Y65 WeakPolarHBondContact O-CB 3.45Å; Q62-Y65 PolarHBondContact O-N 2.8Å; Q62-S66 PolarHBondContact O-N 3.23Å; Q62-S66 PolarHBondContact O-OG 2.99Å; Q62-Q80 VanDerWaalsContact CD-CB 3.41Å; Q62-Q80 HydrophobicContact CG-CB 4.19Å; Q62-Q80 HydrophobicContact CG-CG 4.28Å; Q62-Q80 VanDerWaalsContact OE1-CB 3.29Å
63	Q	82.2	Confident	86.9	Confident	90 Å²	90	61.9 Å²	61.9	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-55.8	-37.8	-172.3	-173.1	179.9	10.4	0	0	113.3	S61 S66 T67	S61-Q63 WeakPolarHBondContact OG-CB 3.41Å; S61-Q63 PolarHBondContact OG-N 3.13Å; Q63-S66 PolarHBondContact O-N 3Å; Q63-T67 VanDerWaalsContact O-CB 3.26Å; Q63-T67 WeakPolarHBondContact O-CB 3.21Å; Q63-T67 PolarHBondContact O-N 3.22Å; Q63-T67 PolarHBondContact O-OG1 3.32Å
64	S	81	Confident	86.6	Confident	73 Å²	73	60.5 Å²	60.5	51%	0.51	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-40.4	177.3	58.2	0	0	0	0	112.1	Q62 R68	Q62-S64 VanDerWaalsContact C-N 3.26Å; Q62-S64 PolarHBondContact O-N 2.74Å; Q62-S64 VanDerWaalsContact O-N 3.15Å; S64-R68 WeakPolarHBondContact O-CB 3.41Å; S64-R68 PolarHBondContact O-N 2.88Å
65	Y	81.5	Confident	86.4	Confident	69 Å²	69	62.5 Å²	62.5	27%	0.271	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-51	173.6	-173.8	-84.7	0	0	0	110.6	Q62 T67 R68 F69 I73 F76	Q62-Y65 WeakPolarHBondContact O-CA 3.31Å; Q62-Y65 WeakPolarHBondContact O-CB 3.45Å; Q62-Y65 PolarHBondContact O-N 2.8Å; Y65-T67 PolarHBondContact O-N 3.11Å; Y65-R68 PolarHBondContact O-N 3.34Å; Y65-R68 VanDerWaalsContact O-N 3.14Å; Y65-F69 AromaticContact CD1-CD2 3.73Å; Y65-F69 HydrophobicContact CD1-CD2 3.73Å; Y65-F69 HydrophobicContact CD1-CE2 4.3Å; Y65-F69 AromaticContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CD2-CD2 3.84Å; Y65-F69 AromaticContact CD2-CE2 3.57Å; Y65-F69 HydrophobicContact CD2-CE2 3.57Å; Y65-F69 AromaticContact CE1-CD2 3.49Å; Y65-F69 HydrophobicContact CE1-CD2 3.49Å; Y65-F69 VanDerWaalsContact CE1-CD2 3.49Å; Y65-F69 AromaticContact CE1-CE2 3.95Å; Y65-F69 HydrophobicContact CE1-CE2 3.95Å; Y65-F69 HydrophobicContact CE1-CG 4.16Å; Y65-F69 AromaticContact CE2-CD2 3.62Å; Y65-F69 HydrophobicContact CE2-CD2 3.62Å; Y65-F69 AromaticContact CE2-CE2 3.17Å; Y65-F69 HydrophobicContact CE2-CE2 3.17Å; Y65-F69 HydrophobicContact CE2-CZ 4.01Å; Y65-F69 AromaticContact CG-CD2 3.89Å; Y65-F69 HydrophobicContact CG-CD2 3.89Å; Y65-F69 HydrophobicContact CG-CE2 4.12Å; Y65-F69 AromaticContact CZ-CD2 3.43Å; Y65-F69 VanDerWaalsContact CZ-CD2 3.43Å; Y65-F69 AromaticContact CZ-CE2 3.37Å; Y65-F69 VanDerWaalsContact O-CD2 3.3Å; Y65-F69 WeakPolarHBondContact O-CD2 3.35Å; Y65-F69 PolarHBondContact O-N 3.39Å; Y65-I73 HydrophobicContact CE1-CD1 4.09Å; Y65-F76 AromaticContact CD1-CD1 3.63Å; Y65-F76 HydrophobicContact CD1-CD1 3.63Å; Y65-F76 AromaticContact CD1-CE1 3.46Å; Y65-F76 HydrophobicContact CD1-CE1 3.46Å; Y65-F76 VanDerWaalsContact CD1-CE1 3.46Å; Y65-F76 HydrophobicContact CD1-CG 4.49Å; Y65-F76 HydrophobicContact CD1-CZ 4.22Å; Y65-F76 AromaticContact CD2-CE1 3.79Å; Y65-F76 HydrophobicContact CD2-CE1 3.79Å; Y65-F76 AromaticContact CD2-CZ 3.75Å; Y65-F76 HydrophobicContact CD2-CZ 3.75Å; Y65-F76 AromaticContact CE1-CD1 3.4Å; Y65-F76 HydrophobicContact CE1-CD1 3.4Å; Y65-F76 VanDerWaalsContact CE1-CD1 3.4Å; Y65-F76 HydrophobicContact CE1-CD2 4.35Å; Y65-F76 AromaticContact CE1-CE1 3.55Å; Y65-F76 HydrophobicContact CE1-CE1 3.55Å; Y65-F76 HydrophobicContact CE1-CE2 4.47Å; Y65-F76 AromaticContact CE1-CG 3.83Å; Y65-F76 HydrophobicContact CE1-CG 3.83Å; Y65-F76 HydrophobicContact CE1-CZ 4.09Å; Y65-F76 HydrophobicContact CE2-CD1 4.42Å; Y65-F76 AromaticContact CE2-CE1 3.86Å; Y65-F76 HydrophobicContact CE2-CE1 3.86Å; Y65-F76 AromaticContact CE2-CE2 3.96Å; Y65-F76 HydrophobicContact CE2-CE2 3.96Å; Y65-F76 AromaticContact CE2-CZ 3.6Å; Y65-F76 HydrophobicContact CE2-CZ 3.6Å; Y65-F76 HydrophobicContact CG-CD1 4.25Å; Y65-F76 AromaticContact CG-CE1 3.6Å; Y65-F76 HydrophobicContact CG-CE1 3.6Å; Y65-F76 HydrophobicContact CG-CZ 4.06Å; Y65-F76 AromaticContact CZ-CD1 3.85Å; Y65-F76 AromaticContact CZ-CE1 3.75Å; Y65-F76 AromaticContact CZ-CE2 3.92Å; Y65-F76 AromaticContact CZ-CG 3.97Å; Y65-F76 AromaticContact CZ-CZ 3.79Å
66	S	77.2	Confident	86.2	Confident	11 Å²	11	62.6 Å²	62.6	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-56.1	-40	177.6	-60.3	0	0	0	0	111.9	D41 Q62 Q63 G70 G71	D41-S66 WeakPolarHBondContact OD2-CB 3.4Å; D41-S66 PolarHBondContact OD2-OG 2.71Å; Q62-S66 PolarHBondContact O-N 3.23Å; Q62-S66 PolarHBondContact O-OG 2.99Å; Q63-S66 PolarHBondContact O-N 3Å; S66-G70 PolarHBondContact O-N 2.74Å; S66-G71 PolarHBondContact O-N 2.86Å
67	T	76.6	Confident	86	Confident	40 Å²	40	62.4 Å²	62.4	25%	0.245	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-48.2	177.3	-60.6	0	0	0	0	111	Q63 Y65 F69 G70 M215	Q63-T67 VanDerWaalsContact O-CB 3.26Å; Q63-T67 WeakPolarHBondContact O-CB 3.21Å; Q63-T67 PolarHBondContact O-N 3.22Å; Q63-T67 PolarHBondContact O-OG1 3.32Å; Y65-T67 PolarHBondContact O-N 3.11Å; T67-F69 VanDerWaalsContact C-N 3.35Å; T67-F69 PolarHBondContact O-N 3.27Å; T67-G70 PolarHBondContact O-N 3.06Å; T67-M215 WeakPolarHBondContact CG2-O 3.26Å
68	R	72.9	Confident	86	Confident	202 Å²	202	64.1 Å²	64.1	76%	0.762	34%	0.335	S	S	*	.	H	α-helix	trans	-62.9	-37.8	-179.8	-172.7	175.9	-177.1	171.4	3.7	113.3	S64 Y65	S64-R68 WeakPolarHBondContact O-CB 3.41Å; S64-R68 PolarHBondContact O-N 2.88Å; Y65-R68 PolarHBondContact O-N 3.34Å; Y65-R68 VanDerWaalsContact O-N 3.14Å
69	F	73.4	Confident	85.9	Confident	115 Å²	115	65.7 Å²	65.7	50%	0.504	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.7	-179.6	-69.3	-80.8	0	0	0	113.5	Y65 T67 G71 I73	Y65-F69 AromaticContact CD1-CD2 3.73Å; Y65-F69 HydrophobicContact CD1-CD2 3.73Å; Y65-F69 HydrophobicContact CD1-CE2 4.3Å; Y65-F69 AromaticContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CD2-CD2 3.84Å; Y65-F69 AromaticContact CD2-CE2 3.57Å; Y65-F69 HydrophobicContact CD2-CE2 3.57Å; Y65-F69 AromaticContact CE1-CD2 3.49Å; Y65-F69 HydrophobicContact CE1-CD2 3.49Å; Y65-F69 VanDerWaalsContact CE1-CD2 3.49Å; Y65-F69 AromaticContact CE1-CE2 3.95Å; Y65-F69 HydrophobicContact CE1-CE2 3.95Å; Y65-F69 HydrophobicContact CE1-CG 4.16Å; Y65-F69 AromaticContact CE2-CD2 3.62Å; Y65-F69 HydrophobicContact CE2-CD2 3.62Å; Y65-F69 AromaticContact CE2-CE2 3.17Å; Y65-F69 HydrophobicContact CE2-CE2 3.17Å; Y65-F69 HydrophobicContact CE2-CZ 4.01Å; Y65-F69 AromaticContact CG-CD2 3.89Å; Y65-F69 HydrophobicContact CG-CD2 3.89Å; Y65-F69 HydrophobicContact CG-CE2 4.12Å; Y65-F69 AromaticContact CZ-CD2 3.43Å; Y65-F69 VanDerWaalsContact CZ-CD2 3.43Å; Y65-F69 AromaticContact CZ-CE2 3.37Å; Y65-F69 VanDerWaalsContact O-CD2 3.3Å; Y65-F69 WeakPolarHBondContact O-CD2 3.35Å; Y65-F69 PolarHBondContact O-N 3.39Å; T67-F69 VanDerWaalsContact C-N 3.35Å; T67-F69 PolarHBondContact O-N 3.27Å; F69-G71 VanDerWaalsContact C-N 3.34Å; F69-G71 PolarHBondContact O-N 2.65Å; F69-I73 HydrophobicContact CB-CD1 4.27Å; F69-I73 HydrophobicContact CG-CD1 4.44Å
70	G	70	Confident	85.9	Confident	32 Å²	32	63.7 Å²	63.7	33%	0.33	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	23.3	174	0	0	0	0	0	114.9	S66 T67 R201	S66-G70 PolarHBondContact O-N 2.74Å; T67-G70 PolarHBondContact O-N 3.06Å; G70-R201 VanDerWaalsContact CA-NH2 3.32Å; G70-R201 PolarHBondContact O-NH2 3.12Å
71	G	77.6	Confident	86	Confident	34 Å²	34	60.9 Å²	60.9	35%	0.351	32%	0.322	S	S	.	.	S	Bend	trans	155.5	171	177.5	0	0	0	0	0	112.7	S66 F69 I73	S66-G71 PolarHBondContact O-N 2.86Å; F69-G71 VanDerWaalsContact C-N 3.34Å; F69-G71 PolarHBondContact O-N 2.65Å; G71-I73 PolarHBondContact O-N 3.28Å
72	V	82.8	Confident	86.3	Confident	54 Å²	54	62.6 Å²	62.6	33%	0.327	33%	0.33	S	S	.	.			trans	-77.2	122.6	176.5	-178.4	0	0	0	0	109.6	D41 P74 A77 L114	D41-V72 HydrophobicContact CB-CG1 3.92Å; D41-V72 HydrophobicContact CB-CG2 3.84Å; V72-P74 WeakPolarHBondContact O-CD 3.5Å; V72-A77 HydrophobicContact CG1-CB 3.83Å; V72-L114 HydrophobicContact CG1-CD1 3.67Å
73	I	88.8	Confident	86.7	Confident	70 Å²	70	67.7 Å²	67.7	36%	0.359	36%	0.357	S	S	.	.			trans	-88.1	109.2	170.8	-58.9	179.2	0	0	0	108.2	Y65 F69 G71 V75 F76 A77	Y65-I73 HydrophobicContact CE1-CD1 4.09Å; F69-I73 HydrophobicContact CB-CD1 4.27Å; F69-I73 HydrophobicContact CG-CD1 4.44Å; G71-I73 PolarHBondContact O-N 3.28Å; I73-V75 PolarHBondContact O-N 3.14Å; I73-F76 HydrophobicContact CB-CB 4.02Å; I73-F76 HydrophobicContact CG2-CB 3.99Å; I73-F76 PolarHBondContact O-N 2.81Å; I73-F76 VanDerWaalsContact O-N 3.16Å; I73-A77 PolarHBondContact O-N 3.35Å
74	P	90.4	Very high	87.5	Confident	56 Å²	56	67 Å²	67	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-38.9	-167.1	-27.5	36.4	0	0	0	115.1	V72 A77 R78 L114 V116	V72-P74 WeakPolarHBondContact O-CD 3.5Å; P74-A77 PolarHBondContact O-N 3.36Å; P74-R78 WeakPolarHBondContact O-CB 3.43Å; P74-R78 PolarHBondContact O-N 3.41Å; P74-L114 HydrophobicContact CB-CD1 4.18Å; P74-L114 HydrophobicContact CG-CD1 4.27Å; P74-L114 HydrophobicContact CG-CD2 4.44Å; P74-V116 HydrophobicContact CB-CG2 3.88Å
75	V	92.4	Very high	88.4	Confident	105 Å²	105	64 Å²	64	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-69.3	-39.1	-179.9	180	0	0	0	0	111.3	I73 T79	I73-V75 PolarHBondContact O-N 3.14Å; V75-T79 PolarHBondContact O-N 3.25Å; V75-T79 VanDerWaalsContact O-N 3.08Å; V75-T79 PolarHBondContact O-OG1 3.23Å
76	F	93.5	Very high	89.2	Confident	59 Å²	59	64 Å²	64	26%	0.259	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-47.7	174.7	-179	-95.7	0	0	0	110.5	Y65 I73 R78 T79 Q80	Y65-F76 AromaticContact CD1-CD1 3.63Å; Y65-F76 HydrophobicContact CD1-CD1 3.63Å; Y65-F76 AromaticContact CD1-CE1 3.46Å; Y65-F76 HydrophobicContact CD1-CE1 3.46Å; Y65-F76 VanDerWaalsContact CD1-CE1 3.46Å; Y65-F76 HydrophobicContact CD1-CG 4.49Å; Y65-F76 HydrophobicContact CD1-CZ 4.22Å; Y65-F76 AromaticContact CD2-CE1 3.79Å; Y65-F76 HydrophobicContact CD2-CE1 3.79Å; Y65-F76 AromaticContact CD2-CZ 3.75Å; Y65-F76 HydrophobicContact CD2-CZ 3.75Å; Y65-F76 AromaticContact CE1-CD1 3.4Å; Y65-F76 HydrophobicContact CE1-CD1 3.4Å; Y65-F76 VanDerWaalsContact CE1-CD1 3.4Å; Y65-F76 HydrophobicContact CE1-CD2 4.35Å; Y65-F76 AromaticContact CE1-CE1 3.55Å; Y65-F76 HydrophobicContact CE1-CE1 3.55Å; Y65-F76 HydrophobicContact CE1-CE2 4.47Å; Y65-F76 AromaticContact CE1-CG 3.83Å; Y65-F76 HydrophobicContact CE1-CG 3.83Å; Y65-F76 HydrophobicContact CE1-CZ 4.09Å; Y65-F76 HydrophobicContact CE2-CD1 4.42Å; Y65-F76 AromaticContact CE2-CE1 3.86Å; Y65-F76 HydrophobicContact CE2-CE1 3.86Å; Y65-F76 AromaticContact CE2-CE2 3.96Å; Y65-F76 HydrophobicContact CE2-CE2 3.96Å; Y65-F76 AromaticContact CE2-CZ 3.6Å; Y65-F76 HydrophobicContact CE2-CZ 3.6Å; Y65-F76 HydrophobicContact CG-CD1 4.25Å; Y65-F76 AromaticContact CG-CE1 3.6Å; Y65-F76 HydrophobicContact CG-CE1 3.6Å; Y65-F76 HydrophobicContact CG-CZ 4.06Å; Y65-F76 AromaticContact CZ-CD1 3.85Å; Y65-F76 AromaticContact CZ-CE1 3.75Å; Y65-F76 AromaticContact CZ-CE2 3.92Å; Y65-F76 AromaticContact CZ-CG 3.97Å; Y65-F76 AromaticContact CZ-CZ 3.79Å; I73-F76 HydrophobicContact CB-CB 4.02Å; I73-F76 HydrophobicContact CG2-CB 3.99Å; I73-F76 PolarHBondContact O-N 2.81Å; I73-F76 VanDerWaalsContact O-N 3.16Å; F76-R78 PolarHBondContact O-N 3.08Å; F76-T79 WeakPolarHBondContact O-CB 3.4Å; F76-T79 PolarHBondContact O-N 3.42Å; F76-Q80 HydrophobicContact CD1-CG 4.13Å; F76-Q80 HydrophobicContact CE1-CG 3.66Å; F76-Q80 HydrophobicContact CE2-CG 4.38Å; F76-Q80 HydrophobicContact CZ-CG 3.81Å; F76-Q80 PolarHBondContact O-N 3.02Å
77	A	94.3	Very high	90.2	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-55.5	-49.5	177.4	0	0	0	0	0	112	V72 I73 P74 T79 Q80 H81	V72-A77 HydrophobicContact CG1-CB 3.83Å; I73-A77 PolarHBondContact O-N 3.35Å; P74-A77 PolarHBondContact O-N 3.36Å; A77-T79 VanDerWaalsContact C-N 3.32Å; A77-T79 PolarHBondContact O-N 2.92Å; A77-Q80 PolarHBondContact O-N 3.3Å; A77-H81 PolarHBondContact O-CD2 3.01Å; A77-H81 PolarHBondContact O-N 3.3Å
78	R	96.8	Very high	91.2	Very high	122 Å²	122	63.8 Å²	63.8	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-53.4	-47.5	172.5	172	177.7	171.2	-99.3	2.4	112.1	P74 F76 Q80 H81 V82 V116 V120	P74-R78 WeakPolarHBondContact O-CB 3.43Å; P74-R78 PolarHBondContact O-N 3.41Å; F76-R78 PolarHBondContact O-N 3.08Å; R78-Q80 VanDerWaalsContact C-N 3.32Å; R78-Q80 PolarHBondContact O-N 3.25Å; R78-H81 PolarHBondContact O-N 3.45Å; R78-V82 WeakPolarHBondContact O-CG2 3.25Å; R78-V82 PolarHBondContact O-N 3.48Å; R78-V116 HydrophobicContact CB-CB 4.36Å; R78-V116 HydrophobicContact CB-CG2 4.39Å; R78-V116 WeakPolarHBondContact CG-O 3.22Å; R78-V120 HydrophobicContact CG-CG2 3.93Å
79	T	97.6	Very high	92.5	Very high	59 Å²	59	54.3 Å²	54.3	36%	0.362	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-43.9	-177.6	-57.8	0	0	0	0	110.9	V75 F76 A77 V82 L83	V75-T79 PolarHBondContact O-N 3.25Å; V75-T79 VanDerWaalsContact O-N 3.08Å; V75-T79 PolarHBondContact O-OG1 3.23Å; F76-T79 WeakPolarHBondContact O-CB 3.4Å; F76-T79 PolarHBondContact O-N 3.42Å; A77-T79 VanDerWaalsContact C-N 3.32Å; A77-T79 PolarHBondContact O-N 2.92Å; T79-V82 PolarHBondContact O-N 3.2Å; T79-L83 HydrophobicContact CG2-CD1 4.16Å; T79-L83 WeakPolarHBondContact O-CG 3.48Å; T79-L83 PolarHBondContact O-N 2.75Å; T79-L83 VanDerWaalsContact O-N 3.11Å
80	Q	97.7	Very high	93.7	Very high	35 Å²	35	54.3 Å²	54.3	16%	0.164	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-40.8	176.2	-64.6	-52.7	-47.5	0	0	112.3	F60 Q62 F76 A77 R78 V82 L83 K84	F60-Q80 HydrophobicContact CE1-CB 4.01Å; F60-Q80 HydrophobicContact CE1-CG 4.47Å; Q62-Q80 VanDerWaalsContact CD-CB 3.41Å; Q62-Q80 HydrophobicContact CG-CB 4.19Å; Q62-Q80 HydrophobicContact CG-CG 4.28Å; Q62-Q80 VanDerWaalsContact OE1-CB 3.29Å; F76-Q80 HydrophobicContact CD1-CG 4.13Å; F76-Q80 HydrophobicContact CE1-CG 3.66Å; F76-Q80 HydrophobicContact CE2-CG 4.38Å; F76-Q80 HydrophobicContact CZ-CG 3.81Å; F76-Q80 PolarHBondContact O-N 3.02Å; A77-Q80 PolarHBondContact O-N 3.3Å; R78-Q80 VanDerWaalsContact C-N 3.32Å; R78-Q80 PolarHBondContact O-N 3.25Å; Q80-V82 VanDerWaalsContact C-N 3.34Å; Q80-V82 PolarHBondContact O-N 2.85Å; Q80-L83 PolarHBondContact O-N 2.83Å; Q80-K84 VanDerWaalsContact O-CB 3.31Å; Q80-K84 WeakPolarHBondContact O-CB 3.15Å; Q80-K84 VanDerWaalsContact O-CG 3.23Å; Q80-K84 WeakPolarHBondContact O-CG 3.2Å; Q80-K84 PolarHBondContact O-N 2.76Å
81	H	98.3	Very high	95	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-48.1	173.5	-67.5	-55.1	0	0	0	111.7	C40 D42 T43 A77 R78 L83 K84 I85 V120	C40-H81 PolarHBondContact O-NE2 2.93Å; D42-H81 PolarHBondContact O-CE1 2.98Å; D42-H81 VanDerWaalsContact O-CE1 3.22Å; T43-H81 PolarHBondContact OG1-ND1 3.15Å; A77-H81 PolarHBondContact O-CD2 3.01Å; A77-H81 PolarHBondContact O-N 3.3Å; R78-H81 PolarHBondContact O-N 3.45Å; H81-L83 VanDerWaalsContact C-N 3.29Å; H81-L83 PolarHBondContact O-N 3.12Å; H81-K84 PolarHBondContact O-N 2.8Å; H81-I85 VanDerWaalsContact O-CB 3.24Å; H81-I85 WeakPolarHBondContact O-CB 3.48Å; H81-I85 WeakPolarHBondContact O-CG2 3.36Å; H81-I85 PolarHBondContact O-N 3.49Å; H81-V120 HydrophobicContact CB-CB 4.09Å; H81-V120 HydrophobicContact CB-CG1 3.83Å; H81-V120 HydrophobicContact CB-CG2 4.26Å
82	V	98.3	Very high	96	Very high	81 Å²	81	53.8 Å²	53.8	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-41.3	179.3	171.9	0	0	0	0	111.5	R78 T79 Q80 V120	R78-V82 WeakPolarHBondContact O-CG2 3.25Å; R78-V82 PolarHBondContact O-N 3.48Å; T79-V82 PolarHBondContact O-N 3.2Å; Q80-V82 VanDerWaalsContact C-N 3.34Å; Q80-V82 PolarHBondContact O-N 2.85Å; V82-V120 HydrophobicContact CG2-CB 4.5Å; V82-V120 HydrophobicContact CG2-CG1 3.89Å; V82-V120 HydrophobicContact CG2-CG2 3.72Å
83	L	98.2	Very high	96.8	Very high	114 Å²	114	52.1 Å²	52.1	60%	0.597	27%	0.273	S	S	*	.	H	α-helix	trans	-73.6	-25.2	-179	-68.8	173.4	0	0	0	113.7	T79 Q80 H81	T79-L83 HydrophobicContact CG2-CD1 4.16Å; T79-L83 WeakPolarHBondContact O-CG 3.48Å; T79-L83 PolarHBondContact O-N 2.75Å; T79-L83 VanDerWaalsContact O-N 3.11Å; Q80-L83 PolarHBondContact O-N 2.83Å; H81-L83 VanDerWaalsContact C-N 3.29Å; H81-L83 PolarHBondContact O-N 3.12Å
84	K	98.3	Very high	97.3	Very high	76 Å²	76	55.9 Å²	55.9	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-111.9	-24.7	-167.9	-61	-65.1	-177.5	-177.5	0	114.6	F60 Q80 H81 D86 A87 V88	F60-K84 HydrophobicContact CB-CB 4.32Å; F60-K84 HydrophobicContact CD1-CB 4.03Å; F60-K84 HydrophobicContact CD1-CD 4.47Å; F60-K84 HydrophobicContact CD1-CG 3.66Å; F60-K84 HydrophobicContact CD2-CD 4.04Å; F60-K84 HydrophobicContact CD2-CG 4.11Å; F60-K84 HydrophobicContact CE1-CG 3.79Å; F60-K84 HydrophobicContact CE2-CD 4.11Å; F60-K84 HydrophobicContact CE2-CG 4.23Å; F60-K84 HydrophobicContact CG-CB 4.1Å; F60-K84 HydrophobicContact CG-CD 4.21Å; F60-K84 HydrophobicContact CG-CG 3.82Å; F60-K84 HydrophobicContact CZ-CD 4.36Å; F60-K84 HydrophobicContact CZ-CG 4.07Å; Q80-K84 VanDerWaalsContact O-CB 3.31Å; Q80-K84 WeakPolarHBondContact O-CB 3.15Å; Q80-K84 VanDerWaalsContact O-CG 3.23Å; Q80-K84 WeakPolarHBondContact O-CG 3.2Å; Q80-K84 PolarHBondContact O-N 2.76Å; H81-K84 PolarHBondContact O-N 2.8Å; K84-D86 VanDerWaalsContact C-N 3.34Å; K84-D86 PolarHBondContact O-N 3.33Å; K84-A87 PolarHBondContact O-N 3.35Å; K84-A87 VanDerWaalsContact O-N 3.17Å; K84-V88 HydrophobicContact CB-CG2 4.42Å; K84-V88 WeakPolarHBondContact O-CG2 3.32Å; K84-V88 PolarHBondContact O-N 3.4Å
85	I	98.6	Very high	97.6	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-41.5	-171.6	-168.7	165.8	0	0	0	113.8	I36 T38 T43 H81 V88 V89 V120 Y124	I36-I85 HydrophobicContact CG2-CD1 4.18Å; T38-I85 HydrophobicContact CG2-CD1 4.05Å; T43-I85 HydrophobicContact CG2-CB 4.08Å; T43-I85 HydrophobicContact CG2-CG1 4.36Å; H81-I85 VanDerWaalsContact O-CB 3.24Å; H81-I85 WeakPolarHBondContact O-CB 3.48Å; H81-I85 WeakPolarHBondContact O-CG2 3.36Å; H81-I85 PolarHBondContact O-N 3.49Å; I85-V88 PolarHBondContact O-N 3.01Å; I85-V89 HydrophobicContact CG1-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CB 3.2Å; I85-V89 WeakPolarHBondContact O-CG2 3.31Å; I85-V89 PolarHBondContact O-N 3.46Å; I85-V120 HydrophobicContact CD1-CG1 4.26Å; I85-V120 HydrophobicContact CG2-CG1 4.33Å; I85-Y124 HydrophobicContact CD1-CD1 3.83Å; I85-Y124 HydrophobicContact CD1-CD2 4.4Å; I85-Y124 HydrophobicContact CD1-CG 3.66Å; I85-Y124 HydrophobicContact CG1-CD1 3.83Å; I85-Y124 HydrophobicContact CG1-CD2 4.36Å; I85-Y124 HydrophobicContact CG1-CE1 4.22Å; I85-Y124 HydrophobicContact CG1-CG 3.91Å; I85-Y124 HydrophobicContact CG2-CD2 3.93Å; I85-Y124 HydrophobicContact CG2-CE2 4.28Å; I85-Y124 HydrophobicContact CG2-CG 4.26Å
86	D	98.6	Very high	97.9	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-46.4	178.9	178	82.6	0	0	0	111.7	K84 K90 Y124	K84-D86 VanDerWaalsContact C-N 3.34Å; K84-D86 PolarHBondContact O-N 3.33Å; D86-K90 WeakPolarHBondContact O-CB 3.33Å; D86-K90 VanDerWaalsContact O-CG 3.28Å; D86-K90 WeakPolarHBondContact O-CG 3.48Å; D86-K90 PolarHBondContact O-N 3.34Å; D86-K90 WeakPolarHBondContact OD1-CE 3.41Å; D86-K90 IonicContact OD1-NZ 2.96Å; D86-K90 PolarHBondContact OD1-NZ 3.37Å; D86-K90 WeakPolarHBondContact OD2-CE 3.34Å; D86-K90 IonicContact OD2-NZ 3.7Å; D86-K90 PolarHBondContact OD2-NZ 2.9Å; D86-Y124 WeakPolarHBondContact CA-OH 3.31Å; D86-Y124 HydrophobicContact CB-CE2 4.2Å; D86-Y124 PolarHBondContact OD1-OH 3.32Å
87	A	98.5	Very high	98.1	Very high	44 Å²	44	56.8 Å²	56.8	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-46.8	178.1	0	0	0	0	0	111.7	K84 V89 K90 N91	K84-A87 PolarHBondContact O-N 3.35Å; K84-A87 VanDerWaalsContact O-N 3.17Å; A87-V89 PolarHBondContact O-N 2.95Å; A87-K90 PolarHBondContact O-N 3.38Å; A87-N91 VanDerWaalsContact O-CB 3.3Å; A87-N91 WeakPolarHBondContact O-CB 3.17Å; A87-N91 PolarHBondContact O-N 3.03Å; A87-N91 PolarHBondContact O-ND2 2.85Å; A87-N91 PolarHBondContact O-OD1 3.04Å
88	V	98.7	Very high	98.3	Very high	4 Å²	4	59 Å²	59	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-46.1	-179.4	169.3	0	0	0	0	111.3	T43 A45 D58 F60 K84 I85 N91 A92	T43-V88 HydrophobicContact CG2-CB 4.26Å; T43-V88 HydrophobicContact CG2-CG1 4.38Å; T43-V88 HydrophobicContact CG2-CG2 4.17Å; A45-V88 HydrophobicContact CB-CG1 3.79Å; D58-V88 HydrophobicContact CB-CG1 4.19Å; D58-V88 WeakPolarHBondContact O-CG1 3.28Å; F60-V88 HydrophobicContact CB-CG2 3.82Å; K84-V88 HydrophobicContact CB-CG2 4.42Å; K84-V88 WeakPolarHBondContact O-CG2 3.32Å; K84-V88 PolarHBondContact O-N 3.4Å; I85-V88 PolarHBondContact O-N 3.01Å; V88-N91 PolarHBondContact O-N 2.98Å; V88-A92 PolarHBondContact O-N 3.46Å
89	V	98.8	Very high	98.3	Very high	3 Å²	3	57 Å²	57	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-68.3	-42	179.4	173.1	0	0	0	0	111.8	L34 I36 A45 I85 A87 N91 A92 L93 Y124 L128	L34-V89 HydrophobicContact CD1-CG1 4.36Å; L34-V89 HydrophobicContact CD2-CG1 3.93Å; I36-V89 HydrophobicContact CD1-CG2 4.07Å; I36-V89 HydrophobicContact CG1-CG2 4.15Å; A45-V89 HydrophobicContact CB-CB 4.33Å; A45-V89 HydrophobicContact CB-CG2 3.7Å; I85-V89 HydrophobicContact CG1-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CB 3.2Å; I85-V89 WeakPolarHBondContact O-CG2 3.31Å; I85-V89 PolarHBondContact O-N 3.46Å; A87-V89 PolarHBondContact O-N 2.95Å; V89-N91 VanDerWaalsContact C-N 3.35Å; V89-N91 PolarHBondContact O-N 3.28Å; V89-A92 PolarHBondContact O-N 3.16Å; V89-L93 HydrophobicContact CG1-CD1 4.16Å; V89-L93 PolarHBondContact O-N 3.36Å; V89-L93 VanDerWaalsContact O-N 3.09Å; V89-Y124 HydrophobicContact CB-CE1 3.89Å; V89-Y124 HydrophobicContact CG1-CE1 4.03Å; V89-Y124 HydrophobicContact CG2-CD1 4.31Å; V89-Y124 HydrophobicContact CG2-CE1 3.71Å; V89-L128 HydrophobicContact CG1-CD1 3.97Å
90	K	98.5	Very high	98.2	Very high	115 Å²	115	55.8 Å²	55.8	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-41.7	175.5	-76.7	173.8	179.7	165.1	0	112	D86 A87 L93 Q94	D86-K90 WeakPolarHBondContact O-CB 3.33Å; D86-K90 VanDerWaalsContact O-CG 3.28Å; D86-K90 WeakPolarHBondContact O-CG 3.48Å; D86-K90 PolarHBondContact O-N 3.34Å; D86-K90 WeakPolarHBondContact OD1-CE 3.41Å; D86-K90 IonicContact OD1-NZ 2.96Å; D86-K90 PolarHBondContact OD1-NZ 3.37Å; D86-K90 WeakPolarHBondContact OD2-CE 3.34Å; D86-K90 IonicContact OD2-NZ 3.7Å; D86-K90 PolarHBondContact OD2-NZ 2.9Å; A87-K90 PolarHBondContact O-N 3.38Å; K90-L93 PolarHBondContact O-N 2.96Å; K90-Q94 VanDerWaalsContact O-CB 3.3Å; K90-Q94 WeakPolarHBondContact O-CB 3.41Å; K90-Q94 PolarHBondContact O-N 3.08Å
91	N	98.7	Very high	98.2	Very high	54 Å²	54	59.3 Å²	59.3	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-42.3	177.3	-70.7	-13.9	0	0	0	111.7	D58 A87 V88 V89 Q94 R95	D58-N91 HydrophobicContact CB-CB 3.83Å; D58-N91 VanDerWaalsContact OD2-CB 3.27Å; D58-N91 WeakPolarHBondContact OD2-CB 3.33Å; D58-N91 PolarHBondContact OD2-ND2 2.81Å; A87-N91 VanDerWaalsContact O-CB 3.3Å; A87-N91 WeakPolarHBondContact O-CB 3.17Å; A87-N91 PolarHBondContact O-N 3.03Å; A87-N91 PolarHBondContact O-ND2 2.85Å; A87-N91 PolarHBondContact O-OD1 3.04Å; V88-N91 PolarHBondContact O-N 2.98Å; V89-N91 VanDerWaalsContact C-N 3.35Å; V89-N91 PolarHBondContact O-N 3.28Å; N91-Q94 PolarHBondContact O-N 3.37Å; N91-R95 WeakPolarHBondContact O-CB 3.39Å; N91-R95 VanDerWaalsContact O-CG 3.29Å; N91-R95 WeakPolarHBondContact O-CG 3.33Å; N91-R95 PolarHBondContact O-N 2.97Å
92	A	98.7	Very high	98.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-43.7	177	0	0	0	0	0	112	A45 V88 V89 S96	A45-A92 HydrophobicContact CB-CB 3.87Å; V88-A92 PolarHBondContact O-N 3.46Å; V89-A92 PolarHBondContact O-N 3.16Å; A92-S96 PolarHBondContact O-N 2.9Å; A92-S96 VanDerWaalsContact O-N 3.14Å; A92-S96 PolarHBondContact O-OG 3.48Å
93	L	98.7	Very high	98.1	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-42.9	174	-74.2	167.2	0	0	0	112.3	V47 V89 K90 R95 S96 G97 L98 L100 V103	V47-L93 HydrophobicContact CG2-CD2 3.95Å; V47-L93 HydrophobicContact CG2-CG 4.47Å; V89-L93 HydrophobicContact CG1-CD1 4.16Å; V89-L93 PolarHBondContact O-N 3.36Å; V89-L93 VanDerWaalsContact O-N 3.09Å; K90-L93 PolarHBondContact O-N 2.96Å; L93-R95 PolarHBondContact O-N 2.79Å; L93-S96 PolarHBondContact O-N 3.18Å; L93-S96 PolarHBondContact O-OG 2.84Å; L93-G97 PolarHBondContact O-N 3.49Å; L93-L98 CarbonylContact C-O 3.12Å; L93-L98 PolarHBondContact O-N 2.83Å; L93-L100 HydrophobicContact CD1-CB 4.43Å; L93-L100 HydrophobicContact CD1-CD1 4.46Å; L93-V103 HydrophobicContact CD2-CG1 4.12Å
94	Q	98.4	Very high	98.1	Very high	150 Å²	150	56 Å²	56	70%	0.701	30%	0.298	S	S	*	.	H	α-helix	trans	-62.9	-43.6	177.8	-175.8	-178.4	1.4	0	0	111.6	K90 N91 S96 G97	K90-Q94 VanDerWaalsContact O-CB 3.3Å; K90-Q94 WeakPolarHBondContact O-CB 3.41Å; K90-Q94 PolarHBondContact O-N 3.08Å; N91-Q94 PolarHBondContact O-N 3.37Å; Q94-S96 VanDerWaalsContact C-N 3.28Å; Q94-S96 PolarHBondContact O-N 2.82Å; Q94-G97 PolarHBondContact O-N 3.46Å; Q94-G97 VanDerWaalsContact O-N 3.1Å
95	R	98.6	Very high	98.1	Very high	150 Å²	150	52.4 Å²	52.4	57%	0.566	28%	0.282	S	S	*	.	H	α-helix	trans	-65.9	-29.6	177.9	-73.9	177	-175.1	164.8	11.1	112.4	E57 D58 N91 L93 G97	E57-R95 VanDerWaalsContact O-CD 3.27Å; E57-R95 WeakPolarHBondContact O-CD 3.01Å; E57-R95 PolarHBondContact O-NH1 3.16Å; D58-R95 IonicContact OD1-CZ 2.81Å; D58-R95 VanDerWaalsContact OD1-CZ 3.25Å; D58-R95 IonicContact OD1-NH1 3.53Å; D58-R95 PolarHBondContact OD1-NH1 2.75Å; D58-R95 IonicContact OD1-NH2 3.73Å; D58-R95 PolarHBondContact OD1-NH2 3.27Å; N91-R95 WeakPolarHBondContact O-CB 3.39Å; N91-R95 VanDerWaalsContact O-CG 3.29Å; N91-R95 WeakPolarHBondContact O-CG 3.33Å; N91-R95 PolarHBondContact O-N 2.97Å; L93-R95 PolarHBondContact O-N 2.79Å; R95-G97 VanDerWaalsContact C-N 3.27Å; R95-G97 PolarHBondContact O-N 3.4Å
96	S	98	Very high	98.1	Very high	20 Å²	20	52 Å²	52	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-76.5	-12.1	173.1	68.4	0	0	0	0	114.3	L55 A92 L93 Q94 L98	L55-S96 WeakPolarHBondContact O-CA 3.24Å; A92-S96 PolarHBondContact O-N 2.9Å; A92-S96 VanDerWaalsContact O-N 3.14Å; A92-S96 PolarHBondContact O-OG 3.48Å; L93-S96 PolarHBondContact O-N 3.18Å; L93-S96 PolarHBondContact O-OG 2.84Å; Q94-S96 VanDerWaalsContact C-N 3.28Å; Q94-S96 PolarHBondContact O-N 2.82Å; S96-L98 PolarHBondContact O-N 3.32Å; S96-L98 WeakPolarHBondContact OG-CB 3.41Å; S96-L98 PolarHBondContact OG-N 2.78Å
97	G	97.8	Very high	98.1	Very high	69 Å²	69	48.8 Å²	48.8	71%	0.711	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	15.2	-172.5	0	0	0	0	0	113.3	L93 Q94 R95	L93-G97 PolarHBondContact O-N 3.49Å; Q94-G97 PolarHBondContact O-N 3.46Å; Q94-G97 VanDerWaalsContact O-N 3.1Å; R95-G97 VanDerWaalsContact C-N 3.27Å; R95-G97 PolarHBondContact O-N 3.4Å
98	L	97.4	Very high	98.1	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.246	25%	0.245	C	C	.	.			trans	-113.2	156	-177.6	-61.7	-179	0	0	0	111.3	V32 V47 L55 L93 S96 D102	V32-L98 HydrophobicContact CG1-CD1 3.8Å; V47-L98 HydrophobicContact CG1-CD1 4.16Å; L55-L98 HydrophobicContact CD1-CD1 3.83Å; L93-L98 CarbonylContact C-O 3.12Å; L93-L98 PolarHBondContact O-N 2.83Å; S96-L98 PolarHBondContact O-N 3.32Å; S96-L98 WeakPolarHBondContact OG-CB 3.41Å; S96-L98 PolarHBondContact OG-N 2.78Å; L98-D102 HydrophobicContact CB-CB 4.05Å; L98-D102 HydrophobicContact CD1-CB 4.49Å; L98-D102 HydrophobicContact CD2-CB 3.94Å; L98-D102 HydrophobicContact CG-CB 4.38Å
99	T	97.2	Very high	98.1	Very high	79 Å²	79	46.5 Å²	46.5	49%	0.485	24%	0.244	S	C	.	.			trans	-98.9	169.4	169.9	74.3	0	0	0	0	110.6	Q101 D102	T99-Q101 PolarHBondContact O-N 3.47Å; T99-Q101 VanDerWaalsContact O-N 3.14Å; T99-Q101 PolarHBondContact OG1-N 3.31Å; T99-D102 WeakPolarHBondContact CA-OD2 3.46Å; T99-D102 WeakPolarHBondContact CB-OD2 3.04Å; T99-D102 PolarHBondContact N-OD2 3.43Å; T99-D102 PolarHBondContact O-N 2.95Å; T99-D102 PolarHBondContact OG1-OD2 3.38Å
100	L	96.9	Very high	98.1	Very high	35 Å²	35	46.5 Å²	46.5	18%	0.183	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.6	174.1	-171.1	66.1	0	0	0	113	L34 L93 V103 I106 L128	L34-L100 HydrophobicContact CD2-CD1 4.09Å; L93-L100 HydrophobicContact CD1-CB 4.43Å; L93-L100 HydrophobicContact CD1-CD1 4.46Å; L100-V103 HydrophobicContact CD1-CG2 4.35Å; L100-V103 WeakPolarHBondContact O-CG2 3.5Å; L100-I106 HydrophobicContact CD1-CD1 3.89Å; L100-L128 HydrophobicContact CD1-CB 4.34Å; L100-L128 HydrophobicContact CD1-CD1 4.15Å; L100-L128 HydrophobicContact CD2-CB 4.2Å; L100-L128 HydrophobicContact CD2-CD2 3.9Å; L100-L128 HydrophobicContact CD2-CG 4.5Å
101	Q	97	Very high	97.9	Very high	109 Å²	109	44.3 Å²	44.3	51%	0.509	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.9	177.1	-69.6	-63.9	-3.3	0	0	113.1	T99 S132 K134	T99-Q101 PolarHBondContact O-N 3.47Å; T99-Q101 VanDerWaalsContact O-N 3.14Å; T99-Q101 PolarHBondContact OG1-N 3.31Å; Q101-S132 PolarHBondContact OE1-O 2.95Å; Q101-K134 WeakPolarHBondContact O-CE 3.35Å; Q101-K134 PolarHBondContact O-NZ 2.96Å
102	D	96.8	Very high	97.7	Very high	79 Å²	79	42.6 Å²	42.6	42%	0.422	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.4	-178.1	-56.3	-58.7	0	0	0	112.8	L98 T99	L98-D102 HydrophobicContact CB-CB 4.05Å; L98-D102 HydrophobicContact CD1-CB 4.49Å; L98-D102 HydrophobicContact CD2-CB 3.94Å; L98-D102 HydrophobicContact CG-CB 4.38Å; T99-D102 WeakPolarHBondContact CA-OD2 3.46Å; T99-D102 WeakPolarHBondContact CB-OD2 3.04Å; T99-D102 PolarHBondContact N-OD2 3.43Å; T99-D102 PolarHBondContact O-N 2.95Å; T99-D102 PolarHBondContact OG1-OD2 3.38Å
103	V	97.8	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.			trans	-80.7	145.8	175	-50.3	0	0	0	0	111	V32 L34 V47 L93 L100 I106 K134	V32-V103 HydrophobicContact CG1-CG1 4.25Å; V32-V103 CarbonylContact O-C 3.59Å; L34-V103 HydrophobicContact CB-CG1 4.31Å; L34-V103 HydrophobicContact CB-CG2 4.41Å; V47-V103 HydrophobicContact CG1-CG1 4.31Å; L93-V103 HydrophobicContact CD2-CG1 4.12Å; L100-V103 HydrophobicContact CD1-CG2 4.35Å; L100-V103 WeakPolarHBondContact O-CG2 3.5Å; V103-I106 HydrophobicContact CG2-CG1 4.46Å; V103-K134 VanDerWaalsContact O-CD 3.23Å; V103-K134 WeakPolarHBondContact O-CD 3.09Å; V103-K134 WeakPolarHBondContact O-CE 3.23Å; V103-K134 PolarHBondContact O-NZ 3.47Å
104	D	98.1	Very high	97.1	Very high	47 Å²	47	44 Å²	44	25%	0.251	23%	0.232	S	C	.	.	S	Bend	trans	-87.3	-28.5	-179.3	-66	-72.3	0	0	0	113	P31 V32 P135 Y387	P31-D104 WeakPolarHBondContact CA-OD2 3.21Å; V32-D104 PolarHBondContact N-OD2 2.88Å; V32-D104 PolarHBondContact O-N 2.9Å; D104-P135 VanDerWaalsContact O-CD 3.24Å; D104-P135 WeakPolarHBondContact O-CD 3.3Å; D104-P135 WeakPolarHBondContact O-CG 3.31Å; D104-Y387 HydrophobicContact CB-CE2 4.08Å
105	A	98.4	Very high	96.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	161	179.2	0	0	0	0	0	111.8	V33 L34 P135 I137 Y387	V33-A105 HydrophobicContact CG2-CB 4.35Å; L34-A105 PolarHBondContact N-O 3.25Å; L34-A105 VanDerWaalsContact N-O 3.12Å; A105-P135 HydrophobicContact CB-CG 3.9Å; A105-I137 HydrophobicContact CB-CD1 3.65Å; A105-I137 HydrophobicContact CB-CG1 4.03Å; A105-Y387 HydrophobicContact CB-CD2 3.87Å; A105-Y387 HydrophobicContact CB-CE2 4.1Å
106	I	98.8	Very high	96.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.4	174.2	-52.2	-178	0	0	0	108.5	L34 I36 L100 V103 A125 L128 K134 P135 L136 I137	L34-I106 HydrophobicContact CD2-CG2 4.31Å; L34-I106 HydrophobicContact CG-CG2 4.47Å; L34-I106 CarbonylContact O-C 3.44Å; L34-I106 WeakPolarHBondContact O-CA 3.19Å; I36-I106 HydrophobicContact CD1-CG2 4.04Å; L100-I106 HydrophobicContact CD1-CD1 3.89Å; V103-I106 HydrophobicContact CG2-CG1 4.46Å; I106-A125 HydrophobicContact CG2-CB 4.12Å; I106-L128 HydrophobicContact CD1-CB 3.43Å; I106-L128 VanDerWaalsContact CD1-CB 3.43Å; I106-L128 HydrophobicContact CD1-CD1 4.36Å; I106-K134 HydrophobicContact CG1-CB 4.46Å; I106-P135 PolarHBondContact N-O 2.91Å; I106-L136 CarbonylContact O-C 3.56Å; I106-L136 WeakPolarHBondContact O-CA 3.37Å; I106-I137 PolarHBondContact O-N 2.93Å
107	A	98.8	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.9	175.4	0	0	0	0	0	110.4	V33 L34 G35 I36 I137 I139 I379	V33-A107 HydrophobicContact CG1-CB 3.69Å; L34-A107 PolarHBondContact O-N 3.14Å; G35-A107 CarbonylContact C-O 3.57Å; G35-A107 VanDerWaalsContact CA-O 3.3Å; G35-A107 WeakPolarHBondContact CA-O 3.39Å; I36-A107 PolarHBondContact N-O 2.97Å; A107-I137 VanDerWaalsContact CA-O 3.3Å; A107-I137 WeakPolarHBondContact CA-O 3.37Å; A107-I137 HydrophobicContact CB-CB 4.15Å; A107-I139 HydrophobicContact CB-CD1 4.18Å; A107-I139 HydrophobicContact CB-CG1 3.79Å; A107-I379 HydrophobicContact CB-CG2 4.08Å
108	V	98.8	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141	-179.3	65.8	0	0	0	0	111.7	I36 T110 V122 A125 L136 I137 I139	I36-V108 HydrophobicContact CB-CB 4.42Å; I36-V108 HydrophobicContact CB-CG2 4.11Å; I36-V108 HydrophobicContact CG2-CG2 4.28Å; I36-V108 WeakPolarHBondContact O-CA 3.32Å; V108-T110 HydrophobicContact CG1-CG2 4.11Å; V108-T110 PolarHBondContact O-N 3.29Å; V108-V122 HydrophobicContact CG1-CG2 4.29Å; V108-V122 HydrophobicContact CG2-CG2 4.17Å; V108-A125 HydrophobicContact CB-CB 3.66Å; V108-A125 HydrophobicContact CG1-CB 3.79Å; V108-A125 HydrophobicContact CG2-CB 3.83Å; V108-L136 HydrophobicContact CG1-CD1 3.69Å; V108-L136 HydrophobicContact CG1-CG 4.46Å; V108-I137 PolarHBondContact N-O 3.16Å; V108-I139 WeakPolarHBondContact O-CB 3.46Å; V108-I139 PolarHBondContact O-N 3.44Å
109	T	98.4	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	119.7	174.1	-56.5	0	0	0	0	111	I36 E37 L118 H141 I379	I36-T109 PolarHBondContact O-N 3.02Å; E37-T109 PolarHBondContact OE1-OG1 3.39Å; E37-T109 PolarHBondContact OE2-OG1 3.47Å; T109-L118 HydrophobicContact CG2-CD2 3.84Å; T109-L118 WeakPolarHBondContact O-CD2 3.47Å; T109-H141 HydrophobicContact CG2-CB 3.58Å; T109-I379 WeakPolarHBondContact OG1-CD1 3.5Å; T109-I379 VanDerWaalsContact OG1-CG1 3.3Å; T109-I379 WeakPolarHBondContact OG1-CG1 3.47Å
110	T	97.9	Very high	96.8	Very high	4 Å²	4	31 Å²	31	3%	0.025	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-21	-179.3	54.7	0	0	0	0	112.9	V108 V122 P138 I139 Y401 V403 Q404	V108-T110 HydrophobicContact CG1-CG2 4.11Å; V108-T110 PolarHBondContact O-N 3.29Å; T110-V122 HydrophobicContact CG2-CG2 3.84Å; T110-P138 HydrophobicContact CG2-CB 3.8Å; T110-I139 PolarHBondContact N-O 2.99Å; T110-I139 PolarHBondContact OG1-O 2.96Å; T110-Y401 HydrophobicContact CG2-CD1 3.95Å; T110-Y401 HydrophobicContact CG2-CE1 3.69Å; T110-V403 WeakPolarHBondContact O-CA 3.45Å; T110-Q404 PolarHBondContact O-N 3.49Å; T110-Q404 VanDerWaalsContact O-N 3.08Å
111	R	95.6	Very high	96.9	Very high	68 Å²	68	29.3 Å²	29.3	26%	0.257	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	158.8	-175.6	62.2	-169.8	175.6	89.1	4.1	113.7	H140 H141 Q404	R111-H140 PolarHBondContact NH1-CD2 2.85Å; R111-H140 CarbonylContact O-C 3.4Å; R111-H140 VanDerWaalsContact O-CA 3.26Å; R111-H140 WeakPolarHBondContact O-CA 3.44Å; R111-H140 PolarHBondContact O-ND1 3.02Å; R111-H141 WeakPolarHBondContact O-CB 3.41Å; R111-H141 PolarHBondContact O-N 2.95Å; R111-Q404 HydrophobicContact CB-CB 3.69Å
112	P	93.3	Very high	97	Very high	19 Å²	19	24.1 Å²	24.1	12%	0.123	12%	0.121	C	C	.	.	S	Bend	cis	-67.9	163.5	-32.7	30.4	-36.1	0	0	0	110.8	H140 M142 Q404 R406	P112-H140 WeakPolarHBondContact CD-CE1 3.44Å; P112-H140 WeakPolarHBondContact CD-ND1 3.3Å; P112-M142 HydrophobicContact CG-CG 4.13Å; P112-Q404 WeakPolarHBondContact CA-O 3.45Å; P112-R406 HydrophobicContact CB-CB 4.12Å
113	G	91.9	Very high	97	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.031	12%	0.119	C	C	.	.	S	Bend	trans	177.7	-175.9	175.7	0	0	0	0	0	111.7	S39 Q115 A405 R406	S39-G113 CarbonylContact O-C 3.53Å; S39-G113 WeakPolarHBondContact O-CA 3.48Å; G113-Q115 PolarHBondContact O-N 2.96Å; G113-A405 CarbonylContact O-C 3.6Å; G113-A405 VanDerWaalsContact O-CA 3.31Å; G113-A405 WeakPolarHBondContact O-CA 3.05Å; G113-R406 PolarHBondContact O-N 3.43Å
114	L	93	Very high	97.1	Very high	44 Å²	44	25.2 Å²	25.2	23%	0.23	12%	0.124	C	C	.	.			trans	-69.5	117.8	166.4	-63	179.7	0	0	0	108.2	S39 V72 P74 V116 C117 L118	S39-L114 PolarHBondContact O-N 2.9Å; V72-L114 HydrophobicContact CG1-CD1 3.67Å; P74-L114 HydrophobicContact CB-CD1 4.18Å; P74-L114 HydrophobicContact CG-CD1 4.27Å; P74-L114 HydrophobicContact CG-CD2 4.44Å; L114-V116 HydrophobicContact CB-CG2 4.45Å; L114-V116 PolarHBondContact O-N 2.67Å; L114-V116 VanDerWaalsContact O-N 3.16Å; L114-C117 HydrophobicContact CB-CB 4.03Å; L114-C117 PolarHBondContact O-N 2.48Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 2.87Å
115	Q	95	Very high	97.1	Very high	115 Å²	115	23 Å²	23	54%	0.537	11%	0.112	S	C	.	.	H	α-helix	trans	-54.3	-40.3	-174.8	-171.7	176.8	-16.3	0	0	112.7	G113 C117 R119 V403 A405	G113-Q115 PolarHBondContact O-N 2.96Å; Q115-C117 VanDerWaalsContact C-N 3.29Å; Q115-C117 PolarHBondContact O-N 2.73Å; Q115-R119 WeakPolarHBondContact O-CB 3.47Å; Q115-R119 PolarHBondContact O-N 2.7Å; Q115-R119 VanDerWaalsContact O-N 3.08Å; Q115-V403 HydrophobicContact CG-CG2 3.77Å; Q115-A405 HydrophobicContact CB-CB 4.17Å
116	V	95.7	Very high	97.1	Very high	62 Å²	62	23.4 Å²	23.4	38%	0.376	12%	0.115	S	C	.	.	H	α-helix	trans	-66.4	-27.4	178.4	-65.8	0	0	0	0	113.6	P74 R78 L114	P74-V116 HydrophobicContact CB-CG2 3.88Å; R78-V116 HydrophobicContact CB-CB 4.36Å; R78-V116 HydrophobicContact CB-CG2 4.39Å; R78-V116 WeakPolarHBondContact CG-O 3.22Å; L114-V116 HydrophobicContact CB-CG2 4.45Å; L114-V116 PolarHBondContact O-N 2.67Å; L114-V116 VanDerWaalsContact O-N 3.16Å
117	C	97.1	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-86	-48.1	177	-58.2	0	0	0	0	110.6	T38 C40 L114 Q115 R119 V120	T38-C117 CarbonylContact O-C 3.47Å; T38-C117 WeakPolarHBondContact O-CB 3.32Å; T38-C117 PolarHBondContact OG1-O 3.19Å; C40-C117 PolarHBondContact O-SG 2.82Å; L114-C117 HydrophobicContact CB-CB 4.03Å; L114-C117 PolarHBondContact O-N 2.48Å; Q115-C117 VanDerWaalsContact C-N 3.29Å; Q115-C117 PolarHBondContact O-N 2.73Å; C117-R119 PolarHBondContact O-N 2.73Å; C117-V120 WeakPolarHBondContact O-CB 3.41Å; C117-V120 PolarHBondContact O-N 2.94Å
118	L	97.8	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-52.6	-42.1	176.4	-72.1	171.5	0	0	0	112.3	T38 T109 L114 V120 G121 V122 V403 Q404	T38-L118 PolarHBondContact O-N 3.3Å; T109-L118 HydrophobicContact CG2-CD2 3.84Å; T109-L118 WeakPolarHBondContact O-CD2 3.47Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 2.87Å; L118-V120 PolarHBondContact O-N 3.17Å; L118-G121 PolarHBondContact O-N 2.99Å; L118-V122 WeakPolarHBondContact O-CB 3.27Å; L118-V122 WeakPolarHBondContact O-CG2 3.5Å; L118-V122 PolarHBondContact O-N 3.33Å; L118-V403 HydrophobicContact CB-CB 4.07Å; L118-V403 HydrophobicContact CB-CG1 3.83Å; L118-V403 HydrophobicContact CD1-CB 4.33Å; L118-Q404 WeakPolarHBondContact CD1-O 3.43Å
119	R	97.7	Very high	97.1	Very high	49 Å²	49	30.3 Å²	30.3	19%	0.185	15%	0.146	C	C	.	.	H	α-helix	trans	-55.8	-39.8	178.4	177.2	55.3	70	-155.8	7.4	111.9	Q115 C117 V122 D123 E400 Y401	Q115-R119 WeakPolarHBondContact O-CB 3.47Å; Q115-R119 PolarHBondContact O-N 2.7Å; Q115-R119 VanDerWaalsContact O-N 3.08Å; C117-R119 PolarHBondContact O-N 2.73Å; R119-V122 PolarHBondContact O-N 3.22Å; R119-D123 WeakPolarHBondContact CD-OD1 3.44Å; R119-D123 WeakPolarHBondContact CD-OD2 3.24Å; R119-D123 WeakPolarHBondContact CG-OD2 3.3Å; R119-D123 IonicContact CZ-OD1 2.93Å; R119-D123 IonicContact NE-OD1 3.92Å; R119-D123 IonicContact NH1-OD1 3.68Å; R119-D123 PolarHBondContact NH1-OD1 3.46Å; R119-D123 WeakPolarHBondContact O-CB 3.44Å; R119-D123 PolarHBondContact O-N 2.9Å; R119-E400 IonicContact CZ-OE1 2.99Å; R119-E400 IonicContact NE-OE1 2.67Å; R119-E400 VanDerWaalsContact NH2-CG 3.34Å; R119-E400 IonicContact NH2-OE1 2.7Å; R119-E400 PolarHBondContact NH2-OE1 3.43Å; R119-Y401 PolarHBondContact NH1-O 3.43Å; R119-Y401 PolarHBondContact NH2-O 2.87Å
120	V	98.4	Very high	97	Very high	16 Å²	16	35.2 Å²	35.2	10%	0.097	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-49	178.8	-177.4	0	0	0	0	111.1	R78 H81 V82 I85 C117 L118 Y124	R78-V120 HydrophobicContact CG-CG2 3.93Å; H81-V120 HydrophobicContact CB-CB 4.09Å; H81-V120 HydrophobicContact CB-CG1 3.83Å; H81-V120 HydrophobicContact CB-CG2 4.26Å; V82-V120 HydrophobicContact CG2-CB 4.5Å; V82-V120 HydrophobicContact CG2-CG1 3.89Å; V82-V120 HydrophobicContact CG2-CG2 3.72Å; I85-V120 HydrophobicContact CD1-CG1 4.26Å; I85-V120 HydrophobicContact CG2-CG1 4.33Å; C117-V120 WeakPolarHBondContact O-CB 3.41Å; C117-V120 PolarHBondContact O-N 2.94Å; L118-V120 PolarHBondContact O-N 3.17Å; V120-Y124 VanDerWaalsContact O-CB 3.29Å; V120-Y124 WeakPolarHBondContact O-CB 3.32Å; V120-Y124 PolarHBondContact O-N 3Å; V120-Y124 VanDerWaalsContact O-N 3.15Å
121	G	98.5	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-44.1	179	0	0	0	0	0	112.9	T38 L118 Y124 A125	T38-G121 WeakPolarHBondContact OG1-CA 3.32Å; T38-G121 PolarHBondContact OG1-N 3.21Å; L118-G121 PolarHBondContact O-N 2.99Å; G121-Y124 PolarHBondContact O-N 3.01Å; G121-A125 VanDerWaalsContact O-CB 3.31Å; G121-A125 WeakPolarHBondContact O-CB 3.47Å; G121-A125 PolarHBondContact O-N 2.86Å
122	V	98.5	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-47.7	-179.3	169.5	0	0	0	0	111.7	V108 T110 L118 R119 Y124 A125 V126 Y401 V403	V108-V122 HydrophobicContact CG1-CG2 4.29Å; V108-V122 HydrophobicContact CG2-CG2 4.17Å; T110-V122 HydrophobicContact CG2-CG2 3.84Å; L118-V122 WeakPolarHBondContact O-CB 3.27Å; L118-V122 WeakPolarHBondContact O-CG2 3.5Å; L118-V122 PolarHBondContact O-N 3.33Å; R119-V122 PolarHBondContact O-N 3.22Å; V122-Y124 VanDerWaalsContact C-N 3.28Å; V122-Y124 PolarHBondContact O-N 3.44Å; V122-A125 PolarHBondContact O-N 3.36Å; V122-V126 HydrophobicContact CG1-CG2 4.38Å; V122-V126 WeakPolarHBondContact O-CB 3.46Å; V122-V126 WeakPolarHBondContact O-CG2 3.27Å; V122-V126 PolarHBondContact O-N 3.04Å; V122-Y401 HydrophobicContact CG1-CD1 4.14Å; V122-Y401 HydrophobicContact CG1-CG 4.32Å; V122-V403 HydrophobicContact CB-CG1 4.04Å; V122-V403 HydrophobicContact CG1-CG1 4.34Å; V122-V403 HydrophobicContact CG2-CG1 3.63Å
123	D	98.5	Very high	97.2	Very high	71 Å²	71	43.6 Å²	43.6	38%	0.38	21%	0.213	S	C	.	.	H	α-helix	trans	-63.6	-38.5	179.4	-64.6	-8.9	0	0	0	111.1	R119 K127	R119-D123 WeakPolarHBondContact CD-OD1 3.44Å; R119-D123 WeakPolarHBondContact CD-OD2 3.24Å; R119-D123 WeakPolarHBondContact CG-OD2 3.3Å; R119-D123 IonicContact CZ-OD1 2.93Å; R119-D123 IonicContact NE-OD1 3.92Å; R119-D123 IonicContact NH1-OD1 3.68Å; R119-D123 PolarHBondContact NH1-OD1 3.46Å; R119-D123 WeakPolarHBondContact O-CB 3.44Å; R119-D123 PolarHBondContact O-N 2.9Å; D123-K127 WeakPolarHBondContact O-CB 3.46Å; D123-K127 PolarHBondContact O-N 3.49Å
124	Y	98.6	Very high	97.5	Very high	31 Å²	31	45.2 Å²	45.2	12%	0.122	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-45.1	175.7	-169.6	-93.6	0	0	0	111.8	I36 I85 D86 V89 V120 G121 V122 K127 L128	I36-Y124 HydrophobicContact CD1-CD1 4.11Å; I85-Y124 HydrophobicContact CD1-CD1 3.83Å; I85-Y124 HydrophobicContact CD1-CD2 4.4Å; I85-Y124 HydrophobicContact CD1-CG 3.66Å; I85-Y124 HydrophobicContact CG1-CD1 3.83Å; I85-Y124 HydrophobicContact CG1-CD2 4.36Å; I85-Y124 HydrophobicContact CG1-CE1 4.22Å; I85-Y124 HydrophobicContact CG1-CG 3.91Å; I85-Y124 HydrophobicContact CG2-CD2 3.93Å; I85-Y124 HydrophobicContact CG2-CE2 4.28Å; I85-Y124 HydrophobicContact CG2-CG 4.26Å; D86-Y124 WeakPolarHBondContact CA-OH 3.31Å; D86-Y124 HydrophobicContact CB-CE2 4.2Å; D86-Y124 PolarHBondContact OD1-OH 3.32Å; V89-Y124 HydrophobicContact CB-CE1 3.89Å; V89-Y124 HydrophobicContact CG1-CE1 4.03Å; V89-Y124 HydrophobicContact CG2-CD1 4.31Å; V89-Y124 HydrophobicContact CG2-CE1 3.71Å; V120-Y124 VanDerWaalsContact O-CB 3.29Å; V120-Y124 WeakPolarHBondContact O-CB 3.32Å; V120-Y124 PolarHBondContact O-N 3Å; V120-Y124 VanDerWaalsContact O-N 3.15Å; G121-Y124 PolarHBondContact O-N 3.01Å; V122-Y124 VanDerWaalsContact C-N 3.28Å; V122-Y124 PolarHBondContact O-N 3.44Å; Y124-K127 WeakPolarHBondContact O-CB 3.37Å; Y124-K127 PolarHBondContact O-N 2.83Å; Y124-L128 HydrophobicContact CD1-CD1 3.98Å; Y124-L128 HydrophobicContact CD1-CG 4.14Å; Y124-L128 HydrophobicContact CE1-CD1 3.52Å; Y124-L128 HydrophobicContact CE1-CD2 4.19Å; Y124-L128 HydrophobicContact CE1-CG 3.86Å; Y124-L128 WeakPolarHBondContact O-CG 3.4Å; Y124-L128 PolarHBondContact O-N 3.48Å
125	A	98.7	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-45.3	176.6	0	0	0	0	0	112	I36 I106 V108 G121 V122 K127 L128 C129 L136	I36-A125 HydrophobicContact CD1-CB 4.12Å; I106-A125 HydrophobicContact CG2-CB 4.12Å; V108-A125 HydrophobicContact CB-CB 3.66Å; V108-A125 HydrophobicContact CG1-CB 3.79Å; V108-A125 HydrophobicContact CG2-CB 3.83Å; G121-A125 VanDerWaalsContact O-CB 3.31Å; G121-A125 WeakPolarHBondContact O-CB 3.47Å; G121-A125 PolarHBondContact O-N 2.86Å; V122-A125 PolarHBondContact O-N 3.36Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.36Å; A125-L128 PolarHBondContact O-N 2.8Å; A125-C129 PolarHBondContact O-N 3.4Å; A125-C129 PolarHBondContact O-SG 3.26Å; A125-L136 HydrophobicContact CB-CD1 4.01Å
126	V	98.6	Very high	97.9	Very high	9 Å²	9	38 Å²	38	6%	0.055	19%	0.185	C	C	.	.	H	α-helix	trans	-56.3	-48.9	174.2	164.1	0	0	0	0	110.3	V122 L128 C129 R130 L136 F397	V122-V126 HydrophobicContact CG1-CG2 4.38Å; V122-V126 WeakPolarHBondContact O-CB 3.46Å; V122-V126 WeakPolarHBondContact O-CG2 3.27Å; V122-V126 PolarHBondContact O-N 3.04Å; V126-L128 VanDerWaalsContact C-N 3.33Å; V126-L128 PolarHBondContact O-N 3.41Å; V126-C129 PolarHBondContact O-N 3.09Å; V126-R130 WeakPolarHBondContact O-CG 3.33Å; V126-R130 PolarHBondContact O-N 3.47Å; V126-L136 HydrophobicContact CG2-CD2 4.29Å; V126-F397 HydrophobicContact CB-CE2 4.37Å; V126-F397 HydrophobicContact CG1-CE2 4.1Å; V126-F397 HydrophobicContact CG2-CD2 4.22Å; V126-F397 HydrophobicContact CG2-CE2 4.01Å
127	K	98.2	Very high	98	Very high	128 Å²	128	35.1 Å²	35.1	56%	0.557	17%	0.167	S	C	*	.	H	α-helix	trans	-56.2	-46.5	176.3	179.6	-175.9	176.9	-175.8	0	111.8	D123 Y124 A125 R130 L131	D123-K127 WeakPolarHBondContact O-CB 3.46Å; D123-K127 PolarHBondContact O-N 3.49Å; Y124-K127 WeakPolarHBondContact O-CB 3.37Å; Y124-K127 PolarHBondContact O-N 2.83Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.36Å; K127-R130 PolarHBondContact O-N 3.24Å; K127-L131 HydrophobicContact CG-CD1 4.02Å; K127-L131 WeakPolarHBondContact O-CG 3.33Å; K127-L131 PolarHBondContact O-N 3.4Å
128	L	98.3	Very high	98.1	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-48.1	177.6	-67.5	-171	0	0	0	111.6	L34 I36 V89 L100 I106 Y124 A125 V126 R130 L131 S132	L34-L128 HydrophobicContact CD2-CD1 4.02Å; I36-L128 HydrophobicContact CD1-CD1 4.23Å; V89-L128 HydrophobicContact CG1-CD1 3.97Å; L100-L128 HydrophobicContact CD1-CB 4.34Å; L100-L128 HydrophobicContact CD1-CD1 4.15Å; L100-L128 HydrophobicContact CD2-CB 4.2Å; L100-L128 HydrophobicContact CD2-CD2 3.9Å; L100-L128 HydrophobicContact CD2-CG 4.5Å; I106-L128 HydrophobicContact CD1-CB 3.43Å; I106-L128 VanDerWaalsContact CD1-CB 3.43Å; I106-L128 HydrophobicContact CD1-CD1 4.36Å; Y124-L128 HydrophobicContact CD1-CD1 3.98Å; Y124-L128 HydrophobicContact CD1-CG 4.14Å; Y124-L128 HydrophobicContact CE1-CD1 3.52Å; Y124-L128 HydrophobicContact CE1-CD2 4.19Å; Y124-L128 HydrophobicContact CE1-CG 3.86Å; Y124-L128 WeakPolarHBondContact O-CG 3.4Å; Y124-L128 PolarHBondContact O-N 3.48Å; A125-L128 PolarHBondContact O-N 2.8Å; V126-L128 VanDerWaalsContact C-N 3.33Å; V126-L128 PolarHBondContact O-N 3.41Å; L128-R130 PolarHBondContact O-N 3.24Å; L128-L131 PolarHBondContact O-N 2.97Å; L128-L131 VanDerWaalsContact O-N 3.07Å; L128-S132 PolarHBondContact O-N 2.95Å; L128-S132 PolarHBondContact O-OG 3.46Å
129	C	98.4	Very high	98.1	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-55.1	-40.5	178	-71.6	0	0	0	0	112.2	A125 V126 N133 K134 F397	A125-C129 PolarHBondContact O-N 3.4Å; A125-C129 PolarHBondContact O-SG 3.26Å; V126-C129 PolarHBondContact O-N 3.09Å; C129-N133 CarbonylContact O-C 3.5Å; C129-N133 WeakPolarHBondContact O-CA 3.27Å; C129-N133 PolarHBondContact O-N 2.76Å; C129-K134 WeakPolarHBondContact CB-O 3.23Å; C129-K134 PolarHBondContact O-N 3.34Å; C129-F397 HydrophobicContact CB-CE1 4.46Å; C129-F397 HydrophobicContact CB-CE2 4.39Å; C129-F397 HydrophobicContact CB-CZ 3.59Å
130	R	97.1	Very high	98	Very high	104 Å²	104	35.8 Å²	35.8	39%	0.392	17%	0.173	S	C	.	.	H	α-helix	trans	-67.4	-43.7	175.7	-64	-55.7	-168	-146.5	-0.3	112.5	V126 K127 L128 S132 F397 D399	V126-R130 WeakPolarHBondContact O-CG 3.33Å; V126-R130 PolarHBondContact O-N 3.47Å; K127-R130 PolarHBondContact O-N 3.24Å; L128-R130 PolarHBondContact O-N 3.24Å; R130-S132 VanDerWaalsContact C-N 3.35Å; R130-S132 PolarHBondContact O-N 3.25Å; R130-F397 PolarHBondContact NH2-O 3.36Å; R130-D399 IonicContact CZ-OD1 3.8Å; R130-D399 IonicContact NE-OD1 2.71Å; R130-D399 PolarHBondContact NE-OD1 2.89Å; R130-D399 IonicContact NH2-OD1 3Å; R130-D399 PolarHBondContact NH2-OD1 3.4Å
131	L	96.8	Very high	97.8	Very high	118 Å²	118	35.3 Å²	35.3	62%	0.618	17%	0.17	S	C	*	.	H	α-helix	trans	-66.4	-35.5	-179.5	-73	172.6	0	0	0	112.8	K127 L128	K127-L131 HydrophobicContact CG-CD1 4.02Å; K127-L131 WeakPolarHBondContact O-CG 3.33Å; K127-L131 PolarHBondContact O-N 3.4Å; L128-L131 PolarHBondContact O-N 2.97Å; L128-L131 VanDerWaalsContact O-N 3.07Å
132	S	97	Very high	97.6	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-102	-0.8	-178.4	58	0	0	0	0	114.3	Q101 L128 R130 K134	Q101-S132 PolarHBondContact OE1-O 2.95Å; L128-S132 PolarHBondContact O-N 2.95Å; L128-S132 PolarHBondContact O-OG 3.46Å; R130-S132 VanDerWaalsContact C-N 3.35Å; R130-S132 PolarHBondContact O-N 3.25Å; S132-K134 VanDerWaalsContact C-N 3.28Å; S132-K134 PolarHBondContact O-N 2.98Å; S132-K134 WeakPolarHBondContact OG-CG 3.45Å
133	N	97.6	Very high	97.4	Very high	144 Å²	144	36.5 Å²	36.5	77%	0.77	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	47.4	-173.5	-167.3	42.6	0	0	0	112.3	C129	C129-N133 CarbonylContact O-C 3.5Å; C129-N133 WeakPolarHBondContact O-CA 3.27Å; C129-N133 PolarHBondContact O-N 2.76Å
134	K	97.6	Very high	97.3	Very high	38 Å²	38	33.1 Å²	33.1	17%	0.165	16%	0.159	C	C	.	.			trans	-110.5	147	-179.4	-58.9	-63.1	179.7	157.8	0	110.6	Q101 V103 I106 C129 S132	Q101-K134 WeakPolarHBondContact O-CE 3.35Å; Q101-K134 PolarHBondContact O-NZ 2.96Å; V103-K134 VanDerWaalsContact O-CD 3.23Å; V103-K134 WeakPolarHBondContact O-CD 3.09Å; V103-K134 WeakPolarHBondContact O-CE 3.23Å; V103-K134 PolarHBondContact O-NZ 3.47Å; I106-K134 HydrophobicContact CG1-CB 4.46Å; C129-K134 WeakPolarHBondContact CB-O 3.23Å; C129-K134 PolarHBondContact O-N 3.34Å; S132-K134 VanDerWaalsContact C-N 3.28Å; S132-K134 PolarHBondContact O-N 2.98Å; S132-K134 WeakPolarHBondContact OG-CG 3.45Å
135	P	98.1	Very high	97.1	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.052	15%	0.154	C	C	.	.			trans	-67.3	149.7	176	27.4	-34.4	0	0	0	112.3	D104 A105 I106 I393 L394	D104-P135 VanDerWaalsContact O-CD 3.24Å; D104-P135 WeakPolarHBondContact O-CD 3.3Å; D104-P135 WeakPolarHBondContact O-CG 3.31Å; A105-P135 HydrophobicContact CB-CG 3.9Å; I106-P135 PolarHBondContact N-O 2.91Å; P135-I393 HydrophobicContact CB-CG2 3.57Å; P135-I393 HydrophobicContact CG-CG2 3.89Å; P135-L394 CarbonylContact C-O 3.43Å; P135-L394 VanDerWaalsContact CA-O 3.25Å; P135-L394 WeakPolarHBondContact CA-O 3.38Å; P135-L394 WeakPolarHBondContact CB-O 3.42Å
136	L	98.6	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.6	172.4	-173.8	72.9	0	0	0	109.9	I106 V108 A125 V126 L394 F397 Y401	I106-L136 CarbonylContact O-C 3.56Å; I106-L136 WeakPolarHBondContact O-CA 3.37Å; V108-L136 HydrophobicContact CG1-CD1 3.69Å; V108-L136 HydrophobicContact CG1-CG 4.46Å; A125-L136 HydrophobicContact CB-CD1 4.01Å; V126-L136 HydrophobicContact CG2-CD2 4.29Å; L136-L394 HydrophobicContact CB-CB 4.48Å; L136-L394 PolarHBondContact N-O 3.19Å; L136-L394 WeakPolarHBondContact O-CB 3.34Å; L136-L394 PolarHBondContact O-N 3.4Å; L136-F397 HydrophobicContact CB-CD1 3.85Å; L136-F397 HydrophobicContact CB-CE1 3.56Å; L136-F397 HydrophobicContact CB-CE2 4.4Å; L136-F397 HydrophobicContact CB-CG 4.4Å; L136-F397 HydrophobicContact CB-CZ 3.88Å; L136-F397 HydrophobicContact CD2-CD1 4.45Å; L136-F397 HydrophobicContact CD2-CD2 4.1Å; L136-F397 HydrophobicContact CD2-CE2 4.3Å; L136-F397 HydrophobicContact CD2-CG 4.19Å; L136-Y401 HydrophobicContact CD2-CD2 3.93Å; L136-Y401 HydrophobicContact CD2-CE2 4.23Å; L136-Y401 HydrophobicContact CD2-CG 4.1Å
137	I	98.5	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.3	170.5	-53.5	178.3	0	0	0	108.6	A105 I106 A107 V108 I139 G383 K386 Y387	A105-I137 HydrophobicContact CB-CD1 3.65Å; A105-I137 HydrophobicContact CB-CG1 4.03Å; I106-I137 PolarHBondContact O-N 2.93Å; A107-I137 VanDerWaalsContact CA-O 3.3Å; A107-I137 WeakPolarHBondContact CA-O 3.37Å; A107-I137 HydrophobicContact CB-CB 4.15Å; V108-I137 PolarHBondContact N-O 3.16Å; I137-I139 HydrophobicContact CG2-CD1 3.66Å; I137-I139 PolarHBondContact O-N 3.26Å; I137-G383 WeakPolarHBondContact CD1-O 3.48Å; I137-K386 HydrophobicContact CG2-CB 3.98Å; I137-K386 HydrophobicContact CG2-CD 3.72Å; I137-K386 HydrophobicContact CG2-CG 4.48Å; I137-Y387 HydrophobicContact CD1-CD2 4.24Å
138	P	98.3	Very high	96.6	Very high	10 Å²	10	25.3 Å²	25.3	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.4	176.8	31.5	-33.7	0	0	0	110.2	T110 D392 L394 Y401	T110-P138 HydrophobicContact CG2-CB 3.8Å; P138-D392 VanDerWaalsContact CD-O 3.25Å; P138-D392 WeakPolarHBondContact CD-O 3.46Å; P138-D392 HydrophobicContact CG-CB 4.34Å; P138-L394 HydrophobicContact CG-CD1 4Å; P138-Y401 HydrophobicContact CB-CE1 4Å; P138-Y401 WeakPolarHBondContact CB-OH 3.36Å; P138-Y401 WeakPolarHBondContact CG-OH 3.4Å
139	I	98.3	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.3	-177.5	-58.4	-57.9	0	0	0	111.3	A107 V108 T110 I137 A144 I379 L382 K386	A107-I139 HydrophobicContact CB-CD1 4.18Å; A107-I139 HydrophobicContact CB-CG1 3.79Å; V108-I139 WeakPolarHBondContact O-CB 3.46Å; V108-I139 PolarHBondContact O-N 3.44Å; T110-I139 PolarHBondContact N-O 2.99Å; T110-I139 PolarHBondContact OG1-O 2.96Å; I137-I139 HydrophobicContact CG2-CD1 3.66Å; I137-I139 PolarHBondContact O-N 3.26Å; I139-A144 HydrophobicContact CG2-CB 3.96Å; I139-I379 HydrophobicContact CB-CD1 4.4Å; I139-I379 HydrophobicContact CB-CG2 4.05Å; I139-I379 HydrophobicContact CG1-CG2 3.79Å; I139-I379 HydrophobicContact CG2-CD1 3.69Å; I139-I379 HydrophobicContact CG2-CG2 4.3Å; I139-L382 HydrophobicContact CD1-CB 4.29Å; I139-L382 HydrophobicContact CD1-CD2 4.48Å; I139-L382 HydrophobicContact CD1-CG 4.03Å; I139-L382 HydrophobicContact CG2-CB 4.42Å; I139-L382 HydrophobicContact CG2-CD2 3.8Å; I139-L382 HydrophobicContact CG2-CG 4.34Å; I139-K386 HydrophobicContact CD1-CD 3.95Å
140	H	95.8	Very high	96.3	Very high	53 Å²	53	26.4 Å²	26.4	25%	0.245	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.8	166.1	-171.6	-32.4	0	0	0	109.2	R111 P112 M142 A143 A144	R111-H140 PolarHBondContact NH1-CD2 2.85Å; R111-H140 CarbonylContact O-C 3.4Å; R111-H140 VanDerWaalsContact O-CA 3.26Å; R111-H140 WeakPolarHBondContact O-CA 3.44Å; R111-H140 PolarHBondContact O-ND1 3.02Å; P112-H140 WeakPolarHBondContact CD-CE1 3.44Å; P112-H140 WeakPolarHBondContact CD-ND1 3.3Å; H140-M142 PolarHBondContact ND1-N 3.03Å; H140-M142 PolarHBondContact O-N 2.78Å; H140-A143 HydrophobicContact CB-CB 3.87Å; H140-A143 WeakPolarHBondContact O-CA 3.21Å; H140-A143 VanDerWaalsContact O-CB 3.32Å; H140-A143 WeakPolarHBondContact O-CB 3.45Å; H140-A143 PolarHBondContact O-N 3.22Å; H140-A144 PolarHBondContact O-N 3.32Å
141	H	94.8	Very high	96.1	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.028	11%	0.114	C	C	.	.	H	α-helix	trans	-51.6	-52	-177.1	-179.5	66.3	0	0	0	113.5	E37 S39 T109 R111 A143 A144 H145 D374	E37-H141 IonicContact OE1-ND1 3.25Å; E37-H141 IonicContact OE2-CE1 4Å; E37-H141 IonicContact OE2-ND1 2.81Å; E37-H141 PolarHBondContact OE2-ND1 3.4Å; S39-H141 PolarHBondContact OG-CE1 3.42Å; S39-H141 VanDerWaalsContact OG-CE1 3.29Å; S39-H141 PolarHBondContact OG-ND1 2.96Å; T109-H141 HydrophobicContact CG2-CB 3.58Å; R111-H141 WeakPolarHBondContact O-CB 3.41Å; R111-H141 PolarHBondContact O-N 2.95Å; H141-A143 VanDerWaalsContact C-N 3.31Å; H141-A143 PolarHBondContact O-N 2.86Å; H141-A144 WeakPolarHBondContact O-CB 3.43Å; H141-A144 PolarHBondContact O-N 3.06Å; H141-A144 VanDerWaalsContact O-N 3.15Å; H141-H145 AromaticContact CE1-CD2 3.83Å; H141-H145 AromaticContact CE1-NE2 3.71Å; H141-H145 AromaticContact NE2-CD2 3.74Å; H141-H145 AromaticContact NE2-NE2 3.77Å; H141-H145 PolarHBondContact O-N 2.77Å; H141-H145 VanDerWaalsContact O-N 3.13Å; H141-D374 VanDerWaalsContact CE1-CG 3.43Å; H141-D374 IonicContact CE1-OD1 3.92Å; H141-D374 PolarHBondContact CE1-OD1 2.97Å; H141-D374 IonicContact CE1-OD2 3.43Å; H141-D374 IonicContact NE2-OD1 3.23Å; H141-D374 IonicContact NE2-OD2 2.74Å
142	M	93.3	Very high	95.9	Very high	17 Å²	17	20.7 Å²	20.7	8%	0.084	11%	0.106	C	C	.	.	H	α-helix	trans	-63.8	-32.4	175.8	-62.8	-70.1	96.1	0	0	113.5	P112 H140 H145 A146 L164 H169 V171	P112-M142 HydrophobicContact CG-CG 4.13Å; H140-M142 PolarHBondContact ND1-N 3.03Å; H140-M142 PolarHBondContact O-N 2.78Å; M142-H145 PolarHBondContact O-N 2.64Å; M142-A146 PolarHBondContact O-N 2.91Å; M142-L164 HydrophobicContact CB-CD1 3.97Å; M142-L164 WeakPolarHBondContact O-CD1 3.35Å; M142-L164 HydrophobicContact SD-CD1 4.23Å; M142-H169 HydrophobicContact SD-CB 3.88Å; M142-V171 HydrophobicContact SD-CG2 4.44Å
143	A	95.4	Very high	95.5	Very high	8 Å²	8	22.3 Å²	22.3	7%	0.066	11%	0.114	C	C	.	.	H	α-helix	trans	-66.8	-40.9	173.8	0	0	0	0	0	110.6	H140 H141 H145 A146 F147 F181 L382	H140-A143 HydrophobicContact CB-CB 3.87Å; H140-A143 WeakPolarHBondContact O-CA 3.21Å; H140-A143 VanDerWaalsContact O-CB 3.32Å; H140-A143 WeakPolarHBondContact O-CB 3.45Å; H140-A143 PolarHBondContact O-N 3.22Å; H141-A143 VanDerWaalsContact C-N 3.31Å; H141-A143 PolarHBondContact O-N 2.86Å; A143-H145 VanDerWaalsContact C-N 3.32Å; A143-H145 PolarHBondContact O-N 3.29Å; A143-A146 WeakPolarHBondContact O-CB 3.37Å; A143-A146 PolarHBondContact O-N 3.35Å; A143-F147 VanDerWaalsContact O-CD2 3.24Å; A143-F147 WeakPolarHBondContact O-CD2 3.35Å; A143-F147 PolarHBondContact O-N 3.34Å; A143-F181 HydrophobicContact CB-CE1 4.07Å; A143-F181 HydrophobicContact CB-CE2 4.24Å; A143-F181 HydrophobicContact CB-CZ 3.55Å; A143-L382 HydrophobicContact CB-CD2 3.63Å
144	A	96	Very high	94.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.4	-44.9	176.5	0	0	0	0	0	111.8	I139 H140 H141 A146 F147 V148 M378 I379 L382	I139-A144 HydrophobicContact CG2-CB 3.96Å; H140-A144 PolarHBondContact O-N 3.32Å; H141-A144 WeakPolarHBondContact O-CB 3.43Å; H141-A144 PolarHBondContact O-N 3.06Å; H141-A144 VanDerWaalsContact O-N 3.15Å; A144-A146 VanDerWaalsContact C-N 3.27Å; A144-A146 PolarHBondContact O-N 3.1Å; A144-F147 PolarHBondContact O-N 2.7Å; A144-V148 PolarHBondContact O-N 3.49Å; A144-M378 HydrophobicContact CB-CB 4.08Å; A144-M378 HydrophobicContact CB-CG 3.97Å; A144-M378 HydrophobicContact CB-SD 4.14Å; A144-I379 HydrophobicContact CB-CD1 3.52Å; A144-L382 HydrophobicContact CB-CB 4.42Å; A144-L382 HydrophobicContact CB-CD2 4.12Å
145	H	94.3	Very high	94.2	Very high	4 Å²	4	24 Å²	24	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-56.2	-38.1	172.7	-93.1	-69.6	0	0	0	113.6	H141 M142 A143 L164 S340 C372 D374	H141-H145 AromaticContact CE1-CD2 3.83Å; H141-H145 AromaticContact CE1-NE2 3.71Å; H141-H145 AromaticContact NE2-CD2 3.74Å; H141-H145 AromaticContact NE2-NE2 3.77Å; H141-H145 PolarHBondContact O-N 2.77Å; H141-H145 VanDerWaalsContact O-N 3.13Å; M142-H145 PolarHBondContact O-N 2.64Å; A143-H145 VanDerWaalsContact C-N 3.32Å; A143-H145 PolarHBondContact O-N 3.29Å; H145-L164 HydrophobicContact CB-CD1 4.25Å; H145-L164 HydrophobicContact CB-CD2 4.17Å; H145-S340 WeakPolarHBondContact O-CB 3.29Å; H145-S340 PolarHBondContact O-OG 3.36Å; H145-C372 PolarHBondContact CE1-O 2.96Å; H145-D374 IonicContact CD2-OD1 3.93Å; H145-D374 IonicContact CE1-OD1 2.92Å; H145-D374 PolarHBondContact CE1-OD1 3.23Å; H145-D374 IonicContact NE2-OD1 2.73Å; H145-D374 PolarHBondContact NE2-OD1 3.25Å
146	A	95	Very high	93.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-73.9	-29.2	176.9	0	0	0	0	0	112.9	M142 A143 A144 A162 L164 V175	M142-A146 PolarHBondContact O-N 2.91Å; A143-A146 WeakPolarHBondContact O-CB 3.37Å; A143-A146 PolarHBondContact O-N 3.35Å; A144-A146 VanDerWaalsContact C-N 3.27Å; A144-A146 PolarHBondContact O-N 3.1Å; A146-A162 HydrophobicContact CB-CB 4.03Å; A146-L164 HydrophobicContact CB-CD1 4.45Å; A146-L164 HydrophobicContact CB-CD2 4.12Å; A146-V175 HydrophobicContact CB-CG2 4.21Å
147	F	95.5	Very high	93.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-91.2	-22.2	-173.2	-89.5	-110.7	0	0	0	114.4	A143 A144 I149 R150 F158 V175 V178 F181 W381 L382 E385	A143-F147 VanDerWaalsContact O-CD2 3.24Å; A143-F147 WeakPolarHBondContact O-CD2 3.35Å; A143-F147 PolarHBondContact O-N 3.34Å; A144-F147 PolarHBondContact O-N 2.7Å; F147-I149 PolarHBondContact O-N 3.43Å; F147-R150 VanDerWaalsContact O-CB 3.31Å; F147-R150 WeakPolarHBondContact O-CB 3.34Å; F147-R150 PolarHBondContact O-N 2.93Å; F147-F158 HydrophobicContact CE1-CE1 4.02Å; F147-F158 AromaticContact CE1-CZ 3.72Å; F147-F158 HydrophobicContact CE1-CZ 3.72Å; F147-F158 AromaticContact CZ-CE1 3.69Å; F147-F158 HydrophobicContact CZ-CE1 3.69Å; F147-F158 AromaticContact CZ-CZ 3.81Å; F147-F158 HydrophobicContact CZ-CZ 3.81Å; F147-V175 HydrophobicContact CD2-CG1 4.47Å; F147-V175 HydrophobicContact CE2-CG1 3.4Å; F147-V175 VanDerWaalsContact CE2-CG1 3.4Å; F147-V175 HydrophobicContact CZ-CG1 3.65Å; F147-V178 HydrophobicContact CE1-CG2 4.22Å; F147-F181 HydrophobicContact CD2-CZ 4.3Å; F147-F181 AromaticContact CE2-CE1 3.92Å; F147-F181 HydrophobicContact CE2-CE1 3.92Å; F147-F181 AromaticContact CE2-CZ 3.55Å; F147-F181 HydrophobicContact CE2-CZ 3.55Å; F147-F181 HydrophobicContact CZ-CZ 4.39Å; F147-W381 PolarHBondContact O-NE1 3.48Å; F147-L382 HydrophobicContact CB-CB 4.45Å; F147-L382 HydrophobicContact CB-CD1 4.15Å; F147-L382 HydrophobicContact CD1-CD1 3.63Å; F147-L382 HydrophobicContact CD2-CD1 4.14Å; F147-L382 HydrophobicContact CE1-CD1 4.03Å; F147-L382 HydrophobicContact CG-CD1 3.7Å; F147-L382 HydrophobicContact CZ-CD1 4.47Å; F147-E385 HydrophobicContact CD1-CB 4.37Å; F147-E385 HydrophobicContact CD1-CG 4.19Å
148	V	94.6	Very high	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-54.5	-30.2	-176.3	75.4	0	0	0	0	113	A144 R150 L151 P367 L371 M378	A144-V148 PolarHBondContact O-N 3.49Å; V148-R150 PolarHBondContact O-N 3.37Å; V148-L151 WeakPolarHBondContact O-CB 3.34Å; V148-L151 PolarHBondContact O-N 2.93Å; V148-P367 HydrophobicContact CG1-CB 4.14Å; V148-P367 HydrophobicContact CG1-CG 3.78Å; V148-L371 HydrophobicContact CG2-CB 4.04Å; V148-L371 HydrophobicContact CG2-CD1 4.38Å; V148-L371 HydrophobicContact CG2-CD2 4.37Å; V148-M378 HydrophobicContact CB-CB 4.05Å; V148-M378 HydrophobicContact CG2-CB 4.01Å
149	I	94.6	Very high	92.8	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-29.1	176.2	-165.9	55.4	0	0	0	113.2	F147 L151 L152 N153 T156 V338 L365 P367	F147-I149 PolarHBondContact O-N 3.43Å; I149-L151 PolarHBondContact O-N 2.85Å; I149-L152 HydrophobicContact CD1-CD1 4.41Å; I149-L152 PolarHBondContact O-N 3.13Å; I149-N153 PolarHBondContact O-N 2.68Å; I149-T156 HydrophobicContact CG2-CG2 4.37Å; I149-V338 HydrophobicContact CB-CG1 3.96Å; I149-V338 HydrophobicContact CG1-CG1 4.42Å; I149-V338 HydrophobicContact CG2-CB 4.31Å; I149-V338 HydrophobicContact CG2-CG1 3.64Å; I149-V338 HydrophobicContact CG2-CG2 3.67Å; I149-L365 HydrophobicContact CD1-CB 4.07Å; I149-L365 HydrophobicContact CG1-CB 3.72Å; I149-L365 HydrophobicContact CG1-CD1 4.35Å; I149-P367 HydrophobicContact CB-CG 4.31Å; I149-P367 HydrophobicContact CD1-CG 4.15Å
150	R	94.9	Very high	92.7	Very high	34 Å²	34	34.4 Å²	34.4	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-68.3	-22.3	177.2	-66.7	174	59.9	85.6	5.5	111.3	F147 V148 L152 R154 T156 W381 E385	F147-R150 VanDerWaalsContact O-CB 3.31Å; F147-R150 WeakPolarHBondContact O-CB 3.34Å; F147-R150 PolarHBondContact O-N 2.93Å; V148-R150 PolarHBondContact O-N 3.37Å; R150-L152 VanDerWaalsContact C-N 3.27Å; R150-L152 PolarHBondContact O-N 3.41Å; R150-R154 WeakPolarHBondContact O-CD 3.04Å; R150-R154 PolarHBondContact O-NH1 3.2Å; R150-T156 HydrophobicContact CG-CG2 4.15Å; R150-T156 PolarHBondContact NH1-O 3.46Å; R150-W381 HydrophobicContact CB-CZ2 4.22Å; R150-E385 IonicContact CZ-OE2 2.82Å; R150-E385 VanDerWaalsContact CZ-OE2 3.23Å; R150-E385 IonicContact NE-OE2 3.41Å; R150-E385 PolarHBondContact NE-OE2 2.72Å; R150-E385 IonicContact NH2-OE1 2.65Å; R150-E385 IonicContact NH2-OE2 3.47Å; R150-E385 PolarHBondContact NH2-OE2 3.46Å
151	L	93.7	Very high	92.8	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.084	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-37.5	170.1	-172.5	148.2	0	0	0	110.8	V48 I54 V148 I149 R154 V377 W381	V48-L151 HydrophobicContact CG1-CD1 4.15Å; I54-L151 HydrophobicContact CG1-CD1 4.33Å; V148-L151 WeakPolarHBondContact O-CB 3.34Å; V148-L151 PolarHBondContact O-N 2.93Å; I149-L151 PolarHBondContact O-N 2.85Å; L151-R154 PolarHBondContact O-NH1 3.42Å; L151-V377 HydrophobicContact CD1-CG1 3.6Å; L151-W381 HydrophobicContact CB-CD2 3.83Å; L151-W381 HydrophobicContact CB-CE3 4.48Å; L151-W381 HydrophobicContact CB-CG 3.82Å; L151-W381 HydrophobicContact CD1-CB 3.92Å; L151-W381 HydrophobicContact CD1-CD2 4.08Å; L151-W381 HydrophobicContact CD1-CE3 4.24Å; L151-W381 HydrophobicContact CD1-CG 3.92Å; L151-W381 HydrophobicContact CG-CD2 4.22Å; L151-W381 HydrophobicContact CG-CE3 4.43Å; L151-W381 HydrophobicContact CG-CG 4.36Å; L151-W381 VanDerWaalsContact N-NE1 3.13Å
152	L	91.4	Very high	92.9	Very high	86 Å²	86	31.6 Å²	31.6	45%	0.45	15%	0.154	S	C	.	.	H	α-helix	trans	-95.9	-33.3	-174.1	-56.8	170.2	0	0	0	113	I149 R150 P367 P368 L371	I149-L152 HydrophobicContact CD1-CD1 4.41Å; I149-L152 PolarHBondContact O-N 3.13Å; R150-L152 VanDerWaalsContact C-N 3.27Å; R150-L152 PolarHBondContact O-N 3.41Å; L152-P367 HydrophobicContact CD1-CB 4.39Å; L152-P368 HydrophobicContact CD1-CG 4.1Å; L152-L371 HydrophobicContact CD1-CD1 3.99Å; L152-L371 HydrophobicContact CD2-CD1 4Å; L152-L371 HydrophobicContact CG-CD1 4.26Å
153	N	89.4	Confident	93.1	Very high	38 Å²	38	30.8 Å²	30.8	20%	0.203	15%	0.15	C	C	.	.			trans	-129.6	92.1	-178.3	-171.2	-19.2	0	0	0	110.1	I149 N155 T156 L365	I149-N153 PolarHBondContact O-N 2.68Å; N153-N155 PolarHBondContact O-N 2.83Å; N153-N155 WeakPolarHBondContact OD1-CA 3.42Å; N153-N155 WeakPolarHBondContact OD1-CB 3.01Å; N153-N155 PolarHBondContact OD1-N 3.06Å; N153-T156 WeakPolarHBondContact O-CB 3.4Å; N153-T156 PolarHBondContact O-N 3.12Å; N153-T156 VanDerWaalsContact O-N 3.08Å; N153-T156 PolarHBondContact O-OG1 3.36Å; N153-L365 WeakPolarHBondContact ND2-CD2 3.34Å
154	R	82.5	Confident	93.1	Very high	98 Å²	98	30.6 Å²	30.6	37%	0.37	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16	176.8	-70.1	-64.6	-164.3	-78.6	0.4	114.2	R50 E51 R150 L151 T156	R50-R154 PolarHBondContact O-NH2 3.31Å; E51-R154 PolarHBondContact O-NH2 3.32Å; R150-R154 WeakPolarHBondContact O-CD 3.04Å; R150-R154 PolarHBondContact O-NH1 3.2Å; L151-R154 PolarHBondContact O-NH1 3.42Å; R154-T156 PolarHBondContact O-N 2.91Å
155	N	84.4	Confident	93.1	Very high	119 Å²	119	30.6 Å²	30.6	64%	0.636	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	1.2	174.9	-60.6	-37	0	0	0	112.8	N153 Q157 Q336	N153-N155 PolarHBondContact O-N 2.83Å; N153-N155 WeakPolarHBondContact OD1-CA 3.42Å; N153-N155 WeakPolarHBondContact OD1-CB 3.01Å; N153-N155 PolarHBondContact OD1-N 3.06Å; N155-Q157 PolarHBondContact O-N 3.36Å; N155-Q157 VanDerWaalsContact O-N 3.15Å; N155-Q336 PolarHBondContact O-NE2 3.28Å
156	T	89.7	Confident	92.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.153	C	C	.	.			trans	-66.5	111.4	170.9	-49.7	0	0	0	0	108.3	I149 R150 N153 R154 F160 Q336 V338 L365	I149-T156 HydrophobicContact CG2-CG2 4.37Å; R150-T156 HydrophobicContact CG-CG2 4.15Å; R150-T156 PolarHBondContact NH1-O 3.46Å; N153-T156 WeakPolarHBondContact O-CB 3.4Å; N153-T156 PolarHBondContact O-N 3.12Å; N153-T156 VanDerWaalsContact O-N 3.08Å; N153-T156 PolarHBondContact O-OG1 3.36Å; R154-T156 PolarHBondContact O-N 2.91Å; T156-F160 HydrophobicContact CG2-CB 4.45Å; T156-F160 HydrophobicContact CG2-CD1 3.78Å; T156-F160 HydrophobicContact CG2-CE1 4.07Å; T156-F160 HydrophobicContact CG2-CG 4.02Å; T156-Q336 VanDerWaalsContact CA-OE1 3.31Å; T156-V338 HydrophobicContact CG2-CG2 4.42Å; T156-L365 HydrophobicContact CG2-CD1 3.92Å; T156-L365 WeakPolarHBondContact OG1-CD1 3.46Å
157	Q	88.1	Confident	92.3	Very high	130 Å²	130	33.3 Å²	33.3	61%	0.607	17%	0.174	S	C	*	.			trans	-104.9	149.7	-174.4	-70.5	177.5	15.7	0	0	110.9	N155 P159	N155-Q157 PolarHBondContact O-N 3.36Å; N155-Q157 VanDerWaalsContact O-N 3.15Å; Q157-P159 CarbonylContact O-C 3.11Å
158	F	92.6	Very high	91.7	Very high	69 Å²	69	33.8 Å²	33.8	30%	0.303	18%	0.178	S	C	.	.	S	Bend	trans	-79	146.5	170.4	-59.1	-65.8	0	0	0	110.9	F147 F160 V175 Q176 V178	F147-F158 HydrophobicContact CE1-CE1 4.02Å; F147-F158 AromaticContact CE1-CZ 3.72Å; F147-F158 HydrophobicContact CE1-CZ 3.72Å; F147-F158 AromaticContact CZ-CE1 3.69Å; F147-F158 HydrophobicContact CZ-CE1 3.69Å; F147-F158 AromaticContact CZ-CZ 3.81Å; F147-F158 HydrophobicContact CZ-CZ 3.81Å; F158-F160 AromaticContact CD1-CD1 3.92Å; F158-F160 HydrophobicContact CD1-CD1 3.92Å; F158-F160 AromaticContact CD1-CE1 3.66Å; F158-F160 HydrophobicContact CD1-CE1 3.66Å; F158-F160 HydrophobicContact CE1-CD1 4.28Å; F158-F160 AromaticContact CE1-CE1 3.55Å; F158-F160 HydrophobicContact CE1-CE1 3.55Å; F158-F160 HydrophobicContact CE1-CZ 4.41Å; F158-V175 HydrophobicContact CD1-CG1 3.96Å; F158-V175 HydrophobicContact CE1-CG1 3.63Å; F158-Q176 VanDerWaalsContact CB-O 3.32Å; F158-Q176 WeakPolarHBondContact CB-O 3.23Å; F158-V178 HydrophobicContact CE2-CG2 4.5Å; F158-V178 HydrophobicContact CZ-CG2 4.26Å
159	P	94.5	Very high	91.3	Very high	36 Å²	36	35.2 Å²	35.2	23%	0.234	19%	0.185	C	C	.	.	S	Bend	cis	-74.7	153.5	-12.4	31.6	-33.4	0	0	0	111.4	Q157 V174 V175 I328 F329	Q157-P159 CarbonylContact O-C 3.11Å; P159-V174 HydrophobicContact CB-CG1 3.77Å; P159-V175 CarbonylContact C-O 3.53Å; P159-V175 WeakPolarHBondContact CA-O 3.3Å; P159-I328 HydrophobicContact CB-CG2 4.46Å; P159-I328 HydrophobicContact CG-CG2 4.12Å; P159-F329 HydrophobicContact CG-CD1 4.14Å; P159-F329 HydrophobicContact CG-CE1 4.4Å; P159-F329 WeakPolarHBondContact O-CE1 3.44Å
160	F	95.6	Very high	91.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.8	167.2	61.7	-92.6	0	0	0	111.3	T156 F158 A162 V174 V175 Q336 V338	T156-F160 HydrophobicContact CG2-CB 4.45Å; T156-F160 HydrophobicContact CG2-CD1 3.78Å; T156-F160 HydrophobicContact CG2-CE1 4.07Å; T156-F160 HydrophobicContact CG2-CG 4.02Å; F158-F160 AromaticContact CD1-CD1 3.92Å; F158-F160 HydrophobicContact CD1-CD1 3.92Å; F158-F160 AromaticContact CD1-CE1 3.66Å; F158-F160 HydrophobicContact CD1-CE1 3.66Å; F158-F160 HydrophobicContact CE1-CD1 4.28Å; F158-F160 AromaticContact CE1-CE1 3.55Å; F158-F160 HydrophobicContact CE1-CE1 3.55Å; F158-F160 HydrophobicContact CE1-CZ 4.41Å; F160-A162 HydrophobicContact CD2-CB 4.45Å; F160-A162 HydrophobicContact CE2-CB 4.26Å; F160-V174 WeakPolarHBondContact O-CA 3.33Å; F160-V175 HydrophobicContact CD1-CB 4.21Å; F160-V175 HydrophobicContact CD2-CB 4.14Å; F160-V175 HydrophobicContact CD2-CG2 4.09Å; F160-V175 HydrophobicContact CE1-CB 3.85Å; F160-V175 HydrophobicContact CE1-CG1 3.85Å; F160-V175 HydrophobicContact CE1-CG2 4.46Å; F160-V175 HydrophobicContact CE2-CB 3.77Å; F160-V175 HydrophobicContact CE2-CG1 4.36Å; F160-V175 HydrophobicContact CE2-CG2 3.51Å; F160-V175 HydrophobicContact CG-CB 4.36Å; F160-V175 HydrophobicContact CZ-CB 3.61Å; F160-V175 HydrophobicContact CZ-CG1 3.72Å; F160-V175 HydrophobicContact CZ-CG2 3.73Å; F160-V175 PolarHBondContact N-O 2.73Å; F160-V175 PolarHBondContact O-N 2.86Å; F160-Q336 HydrophobicContact CB-CB 4.1Å; F160-V338 HydrophobicContact CD2-CB 4.19Å; F160-V338 HydrophobicContact CD2-CG2 3.45Å; F160-V338 VanDerWaalsContact CD2-CG2 3.45Å; F160-V338 HydrophobicContact CE2-CB 4.29Å; F160-V338 HydrophobicContact CE2-CG2 3.72Å; F160-V338 HydrophobicContact CG-CG2 4.28Å
161	L	97.5	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.4	175.5	-177	57	0	0	0	109	L172 T173 V174 L184 L316 M320 L323 F329 Q336 L337 V338 Y362	L161-L172 HydrophobicContact CD1-CD1 3.63Å; L161-L172 HydrophobicContact CD1-CG 4.32Å; L161-L172 HydrophobicContact CD2-CD1 4.41Å; L161-L172 HydrophobicContact CG-CD1 4.06Å; L161-T173 WeakPolarHBondContact CD1-O 3.26Å; L161-V174 HydrophobicContact CD1-CG2 4.39Å; L161-L184 HydrophobicContact CD1-CD1 3.92Å; L161-L316 HydrophobicContact CD2-CD1 3.81Å; L161-M320 HydrophobicContact CD2-CG 4.16Å; L161-L323 HydrophobicContact CB-CD1 4.34Å; L161-L323 HydrophobicContact CD1-CD1 3.97Å; L161-L323 HydrophobicContact CD2-CD1 3.96Å; L161-L323 HydrophobicContact CG-CD1 4.32Å; L161-F329 HydrophobicContact CB-CZ 4.3Å; L161-Q336 PolarHBondContact N-O 2.72Å; L161-L337 HydrophobicContact CB-CD1 4.1Å; L161-L337 HydrophobicContact CD2-CD1 3.93Å; L161-L337 HydrophobicContact CG-CD1 3.71Å; L161-L337 CarbonylContact O-C 3.54Å; L161-L337 WeakPolarHBondContact O-CA 3.3Å; L161-V338 PolarHBondContact O-N 2.97Å; L161-Y362 HydrophobicContact CD2-CE1 4.29Å
162	A	97.5	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	176.6	0	0	0	0	0	110.8	A146 F160 L172 T173 V175 V338	A146-A162 HydrophobicContact CB-CB 4.03Å; F160-A162 HydrophobicContact CD2-CB 4.45Å; F160-A162 HydrophobicContact CE2-CB 4.26Å; A162-L172 WeakPolarHBondContact O-CA 3.44Å; A162-T173 HydrophobicContact CB-CG2 4.06Å; A162-T173 PolarHBondContact N-O 2.82Å; A162-T173 PolarHBondContact O-N 3.1Å; A162-V175 HydrophobicContact CB-CG2 3.99Å; A162-V338 CarbonylContact C-O 3.53Å; A162-V338 WeakPolarHBondContact CA-O 3.47Å; A162-V338 HydrophobicContact CB-CB 4.46Å
163	L	97.9	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.4	173	176.1	60.8	0	0	0	108.9	L165 V171 L172 F246 I312 L316 L337 V338 V339 S340 F353	L163-L165 HydrophobicContact CD1-CD2 3.9Å; L163-L165 HydrophobicContact CD1-CG 4.14Å; L163-L165 HydrophobicContact CD2-CD1 4.05Å; L163-L165 HydrophobicContact CD2-CG 4.46Å; L163-L165 HydrophobicContact CG-CD1 4.08Å; L163-L165 HydrophobicContact CG-CD2 4.27Å; L163-L165 HydrophobicContact CG-CG 3.95Å; L163-V171 WeakPolarHBondContact CA-O 3.41Å; L163-L172 HydrophobicContact CB-CD1 4.04Å; L163-L172 HydrophobicContact CD1-CB 4.32Å; L163-L172 HydrophobicContact CD1-CD1 4.12Å; L163-F246 HydrophobicContact CD1-CZ 3.88Å; L163-I312 HydrophobicContact CD1-CG2 4.5Å; L163-I312 HydrophobicContact CD2-CG2 3.81Å; L163-L316 HydrophobicContact CD2-CD1 4.49Å; L163-L316 HydrophobicContact CD2-CD2 4.2Å; L163-L337 HydrophobicContact CB-CD1 4.16Å; L163-V338 PolarHBondContact N-O 2.88Å; L163-V339 HydrophobicContact CB-CG1 4.29Å; L163-V339 HydrophobicContact CB-CG2 4.33Å; L163-V339 HydrophobicContact CD2-CG1 4.23Å; L163-V339 HydrophobicContact CG-CG1 4.22Å; L163-V339 VanDerWaalsContact O-CA 3.31Å; L163-V339 WeakPolarHBondContact O-CA 3.21Å; L163-V339 WeakPolarHBondContact O-CG1 3.33Å; L163-S340 PolarHBondContact O-N 2.96Å; L163-S340 VanDerWaalsContact O-N 3.11Å; L163-F353 HydrophobicContact CD2-CD1 4.43Å; L163-F353 HydrophobicContact CD2-CE1 3.55Å; L163-F353 HydrophobicContact CD2-CZ 3.66Å
164	L	95.9	Very high	92.1	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.5	-179.2	-48.2	-179.1	0	0	0	108.5	M142 H145 A146 S170 V171 S340	M142-L164 HydrophobicContact CB-CD1 3.97Å; M142-L164 WeakPolarHBondContact O-CD1 3.35Å; M142-L164 HydrophobicContact SD-CD1 4.23Å; H145-L164 HydrophobicContact CB-CD1 4.25Å; H145-L164 HydrophobicContact CB-CD2 4.17Å; A146-L164 HydrophobicContact CB-CD1 4.45Å; A146-L164 HydrophobicContact CB-CD2 4.12Å; L164-S170 CarbonylContact O-C 3.48Å; L164-S170 WeakPolarHBondContact O-CA 3.48Å; L164-V171 HydrophobicContact CB-CB 4.31Å; L164-V171 HydrophobicContact CD1-CB 4.41Å; L164-V171 PolarHBondContact N-O 3.41Å; L164-V171 PolarHBondContact O-N 2.93Å; L164-S340 CarbonylContact C-O 3.58Å; L164-S340 WeakPolarHBondContact CA-O 3.49Å
165	L	95	Very high	92.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	97.8	-177.1	-60.9	173	0	0	0	109.9	L163 P192 I312 V339 S340 G341 G342 V343 A344 F349 F353	L163-L165 HydrophobicContact CD1-CD2 3.9Å; L163-L165 HydrophobicContact CD1-CG 4.14Å; L163-L165 HydrophobicContact CD2-CD1 4.05Å; L163-L165 HydrophobicContact CD2-CG 4.46Å; L163-L165 HydrophobicContact CG-CD1 4.08Å; L163-L165 HydrophobicContact CG-CD2 4.27Å; L163-L165 HydrophobicContact CG-CG 3.95Å; L165-P192 HydrophobicContact CD2-CG 4.39Å; L165-I312 HydrophobicContact CD1-CD1 4.15Å; L165-I312 HydrophobicContact CD1-CG2 4.18Å; L165-I312 HydrophobicContact CD2-CD1 4.03Å; L165-I312 HydrophobicContact CD2-CG1 4.47Å; L165-I312 HydrophobicContact CD2-CG2 4.43Å; L165-V339 HydrophobicContact CD1-CG1 4.26Å; L165-S340 PolarHBondContact N-O 3.42Å; L165-G341 CarbonylContact O-C 3.44Å; L165-G341 VanDerWaalsContact O-CA 3.23Å; L165-G341 WeakPolarHBondContact O-CA 3.49Å; L165-G342 PolarHBondContact O-N 2.95Å; L165-V343 HydrophobicContact CB-CB 4.05Å; L165-V343 HydrophobicContact CB-CG1 4.44Å; L165-V343 WeakPolarHBondContact O-CB 3.43Å; L165-V343 PolarHBondContact O-N 3.29Å; L165-A344 HydrophobicContact CB-CB 4.41Å; L165-A344 PolarHBondContact O-N 3.41Å; L165-F349 HydrophobicContact CD1-CD1 4.41Å; L165-F353 HydrophobicContact CD1-CE2 3.96Å; L165-F353 HydrophobicContact CD1-CZ 3.67Å
166	S	88.8	Confident	93.2	Very high	19 Å²	19	21.3 Å²	21.3	13%	0.133	12%	0.12	C	C	.	.			trans	-118.8	-178.8	179.8	75.8	0	0	0	0	112.4	G168 H169 G193	S166-G168 PolarHBondContact O-N 2.84Å; S166-G168 PolarHBondContact OG-N 3.18Å; S166-G168 VanDerWaalsContact OG-N 3.15Å; S166-H169 PolarHBondContact N-O 3.31Å; S166-H169 PolarHBondContact OG-N 3.34Å; S166-G193 PolarHBondContact O-N 3.22Å
167	G	83.5	Confident	93.4	Very high	43 Å²	43	23.5 Å²	23.5	44%	0.443	14%	0.136	S	C	.	.	S	Bend	trans	-63.3	-21.9	169	0	0	0	0	0	113.5	A191	G167-A191 WeakPolarHBondContact O-CB 3.01Å
168	G	84.1	Confident	93.7	Very high	9 Å²	9	18 Å²	18	9%	0.093	11%	0.111	C	C	.	.	S	Bend	trans	-113.5	-19.3	-175.6	0	0	0	0	0	115.9	S166 R406	S166-G168 PolarHBondContact O-N 2.84Å; S166-G168 PolarHBondContact OG-N 3.18Å; S166-G168 VanDerWaalsContact OG-N 3.15Å; G168-R406 VanDerWaalsContact CA-NH1 3.34Å; G168-R406 PolarHBondContact O-NE 3.06Å; G168-R406 PolarHBondContact O-NH2 3.21Å
169	H	85	Confident	93.7	Very high	31 Å²	31	17.5 Å²	17.5	14%	0.144	11%	0.111	C	C	.	.			trans	-146.9	148.4	-172.9	-56.8	96.8	0	0	0	110.9	M142 S166 V171 R406	M142-H169 HydrophobicContact SD-CB 3.88Å; S166-H169 PolarHBondContact N-O 3.31Å; S166-H169 PolarHBondContact OG-N 3.34Å; H169-V171 HydrophobicContact CB-CG2 4.36Å; H169-R406 WeakPolarHBondContact CE1-CD 3.45Å; H169-R406 PolarHBondContact CE1-NE 3.12Å; H169-R406 WeakPolarHBondContact NE2-CD 3.22Å; H169-R406 WeakPolarHBondContact NE2-CG 3.23Å; H169-R406 PolarHBondContact NE2-NE 2.96Å
170	S	92.8	Very high	93.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.9	154.9	65.4	0	0	0	0	108	L164 S186 T187 F246 Y248	L164-S170 CarbonylContact O-C 3.48Å; L164-S170 WeakPolarHBondContact O-CA 3.48Å; S170-S186 CarbonylContact O-C 3.56Å; S170-S186 VanDerWaalsContact O-CA 3.25Å; S170-S186 WeakPolarHBondContact O-CA 3.29Å; S170-T187 PolarHBondContact O-N 3.45Å; S170-T187 VanDerWaalsContact OG-CB 3.29Å; S170-T187 WeakPolarHBondContact OG-CB 3.27Å; S170-T187 PolarHBondContact OG-N 2.86Å; S170-F246 WeakPolarHBondContact OG-CB 3.1Å; S170-F246 VanDerWaalsContact OG-CD2 3.29Å; S170-F246 WeakPolarHBondContact OG-CD2 3.2Å; S170-F246 WeakPolarHBondContact OG-CG 3.24Å; S170-Y248 WeakPolarHBondContact CB-OH 3.37Å; S170-Y248 PolarHBondContact OG-OH 3.4Å
171	V	96	Very high	93.7	Very high	23 Å²	23	21.7 Å²	21.7	14%	0.139	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.8	-179.9	178.3	0	0	0	0	108.7	M142 L163 L164 H169 T173 L183	M142-V171 HydrophobicContact SD-CG2 4.44Å; L163-V171 WeakPolarHBondContact CA-O 3.41Å; L164-V171 HydrophobicContact CB-CB 4.31Å; L164-V171 HydrophobicContact CD1-CB 4.41Å; L164-V171 PolarHBondContact N-O 3.41Å; L164-V171 PolarHBondContact O-N 2.93Å; H169-V171 HydrophobicContact CB-CG2 4.36Å; V171-T173 HydrophobicContact CG1-CG2 4.39Å; V171-L183 HydrophobicContact CG1-CD1 3.66Å
172	L	97.5	Very high	93.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.6	171.7	-176.4	59	0	0	0	108.5	L161 A162 L163 L184 G185 C244 F246 L316 A319	L161-L172 HydrophobicContact CD1-CD1 3.63Å; L161-L172 HydrophobicContact CD1-CG 4.32Å; L161-L172 HydrophobicContact CD2-CD1 4.41Å; L161-L172 HydrophobicContact CG-CD1 4.06Å; A162-L172 WeakPolarHBondContact O-CA 3.44Å; L163-L172 HydrophobicContact CB-CD1 4.04Å; L163-L172 HydrophobicContact CD1-CB 4.32Å; L163-L172 HydrophobicContact CD1-CD1 4.12Å; L172-L184 HydrophobicContact CG-CB 4.36Å; L172-L184 HydrophobicContact CG-CD1 4.45Å; L172-L184 WeakPolarHBondContact O-CA 3.46Å; L172-L184 WeakPolarHBondContact O-CB 3.3Å; L172-L184 PolarHBondContact O-N 2.97Å; L172-G185 PolarHBondContact N-O 3.43Å; L172-G185 PolarHBondContact O-N 3.07Å; L172-G185 VanDerWaalsContact O-N 3.07Å; L172-C244 HydrophobicContact CD2-CB 4.08Å; L172-F246 HydrophobicContact CB-CE2 3.85Å; L172-F246 HydrophobicContact CB-CZ 3.95Å; L172-F246 HydrophobicContact CD2-CZ 4.23Å; L172-L316 HydrophobicContact CD1-CD1 4.03Å; L172-A319 HydrophobicContact CD2-CB 3.43Å; L172-A319 VanDerWaalsContact CD2-CB 3.43Å; L172-A319 HydrophobicContact CG-CB 4.16Å
173	T	97.3	Very high	93.6	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.049	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.6	-172.2	-169.4	0	0	0	0	111.1	L161 A162 V171 V175 F181 L182	L161-T173 WeakPolarHBondContact CD1-O 3.26Å; A162-T173 HydrophobicContact CB-CG2 4.06Å; A162-T173 PolarHBondContact N-O 2.82Å; A162-T173 PolarHBondContact O-N 3.1Å; V171-T173 HydrophobicContact CG1-CG2 4.39Å; T173-V175 HydrophobicContact CG2-CG2 4.39Å; T173-F181 HydrophobicContact CG2-CD1 4.31Å; T173-L182 CarbonylContact C-O 3.35Å; T173-L182 WeakPolarHBondContact CA-O 3.32Å; T173-L182 PolarHBondContact OG1-O 3Å; T173-L182 VanDerWaalsContact OG1-O 3.12Å
174	V	97.1	Very high	93.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.4	163	-170.6	0	0	0	0	107.8	P159 F160 L161 Q176 F181 L182 L184 L323 I328	P159-V174 HydrophobicContact CB-CG1 3.77Å; F160-V174 WeakPolarHBondContact O-CA 3.33Å; L161-V174 HydrophobicContact CD1-CG2 4.39Å; V174-Q176 HydrophobicContact CG1-CG 4.19Å; V174-F181 WeakPolarHBondContact O-CA 3.47Å; V174-L182 HydrophobicContact CB-CB 4.14Å; V174-L182 HydrophobicContact CG2-CB 4.48Å; V174-L182 HydrophobicContact CG2-CD2 4.35Å; V174-L182 PolarHBondContact N-O 2.87Å; V174-L182 PolarHBondContact O-N 2.81Å; V174-L184 HydrophobicContact CG2-CD1 3.9Å; V174-L184 HydrophobicContact CG2-CD2 4.38Å; V174-L184 HydrophobicContact CG2-CG 4.21Å; V174-L323 HydrophobicContact CG2-CD1 4.1Å; V174-L323 HydrophobicContact CG2-CD2 3.44Å; V174-L323 VanDerWaalsContact CG2-CD2 3.44Å; V174-L323 HydrophobicContact CG2-CG 4.4Å; V174-I328 HydrophobicContact CG1-CG2 4.15Å
175	V	96.5	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.2	171.4	-173.3	0	0	0	0	107.3	A146 F147 F158 P159 F160 A162 T173 S177 F181	A146-V175 HydrophobicContact CB-CG2 4.21Å; F147-V175 HydrophobicContact CD2-CG1 4.47Å; F147-V175 HydrophobicContact CE2-CG1 3.4Å; F147-V175 VanDerWaalsContact CE2-CG1 3.4Å; F147-V175 HydrophobicContact CZ-CG1 3.65Å; F158-V175 HydrophobicContact CD1-CG1 3.96Å; F158-V175 HydrophobicContact CE1-CG1 3.63Å; P159-V175 CarbonylContact C-O 3.53Å; P159-V175 WeakPolarHBondContact CA-O 3.3Å; F160-V175 HydrophobicContact CD1-CB 4.21Å; F160-V175 HydrophobicContact CD2-CB 4.14Å; F160-V175 HydrophobicContact CD2-CG2 4.09Å; F160-V175 HydrophobicContact CE1-CB 3.85Å; F160-V175 HydrophobicContact CE1-CG1 3.85Å; F160-V175 HydrophobicContact CE1-CG2 4.46Å; F160-V175 HydrophobicContact CE2-CB 3.77Å; F160-V175 HydrophobicContact CE2-CG1 4.36Å; F160-V175 HydrophobicContact CE2-CG2 3.51Å; F160-V175 HydrophobicContact CG-CB 4.36Å; F160-V175 HydrophobicContact CZ-CB 3.61Å; F160-V175 HydrophobicContact CZ-CG1 3.72Å; F160-V175 HydrophobicContact CZ-CG2 3.73Å; F160-V175 PolarHBondContact N-O 2.73Å; F160-V175 PolarHBondContact O-N 2.86Å; A162-V175 HydrophobicContact CB-CG2 3.99Å; T173-V175 HydrophobicContact CG2-CG2 4.39Å; V175-S177 WeakPolarHBondContact CG1-O 3.15Å; V175-F181 HydrophobicContact CB-CD1 4.47Å; V175-F181 HydrophobicContact CB-CE1 4.36Å; V175-F181 HydrophobicContact CG1-CD1 4.35Å; V175-F181 HydrophobicContact CG1-CE1 3.91Å; V175-F181 HydrophobicContact CG1-CZ 4.29Å; V175-F181 HydrophobicContact CG2-CD1 3.95Å; V175-F181 HydrophobicContact CG2-CE1 3.8Å
176	Q	94.6	Very high	93.5	Very high	73 Å²	73	30.7 Å²	30.7	34%	0.341	18%	0.18	S	C	.	.			trans	-95.5	-28.7	-176.6	-59.7	-170.5	15.6	0	0	112.8	F158 V174 D180	F158-Q176 VanDerWaalsContact CB-O 3.32Å; F158-Q176 WeakPolarHBondContact CB-O 3.23Å; V174-Q176 HydrophobicContact CG1-CG 4.19Å; Q176-D180 HydrophobicContact CB-CB 4.11Å; Q176-D180 PolarHBondContact N-O 2.74Å; Q176-D180 PolarHBondContact OE1-OD2 2.86Å
177	S	94.5	Very high	93.6	Very high	47 Å²	47	31.2 Å²	31.2	33%	0.329	18%	0.182	S	C	.	.	S	Bend	trans	-159.2	-172	172.4	68.7	0	0	0	0	109	V175 D179 D180	V175-S177 WeakPolarHBondContact CG1-O 3.15Å; S177-D179 PolarHBondContact O-N 3.14Å; S177-D180 PolarHBondContact N-O 3.33Å; S177-D180 VanDerWaalsContact OG-CB 3.28Å; S177-D180 WeakPolarHBondContact OG-CB 3.38Å; S177-D180 PolarHBondContact OG-N 3.5Å
178	V	93.8	Very high	94	Very high	14 Å²	14	34 Å²	34	9%	0.085	19%	0.187	C	C	.	.	S	Bend	trans	-56	-32.3	177	-178.9	0	0	0	0	112.7	F147 F158 F181 L382 K386 A389	F147-V178 HydrophobicContact CE1-CG2 4.22Å; F158-V178 HydrophobicContact CE2-CG2 4.5Å; F158-V178 HydrophobicContact CZ-CG2 4.26Å; V178-F181 WeakPolarHBondContact O-CE2 3.39Å; V178-L382 HydrophobicContact CG1-CD1 4.3Å; V178-K386 HydrophobicContact CG1-CB 4.36Å; V178-K386 HydrophobicContact CG1-CG 3.44Å; V178-K386 VanDerWaalsContact CG1-CG 3.44Å; V178-A389 HydrophobicContact CB-CB 4.42Å; V178-A389 HydrophobicContact CG2-CB 4.05Å
179	D	92.2	Very high	94.4	Very high	59 Å²	59	35.7 Å²	35.7	32%	0.316	19%	0.194	S	C	.	.	S	Bend	trans	-123.9	-3.9	-175.3	-59.2	-69	0	0	0	114.8	S177 K386 S391	S177-D179 PolarHBondContact O-N 3.14Å; D179-K386 VanDerWaalsContact OD1-CE 3.27Å; D179-K386 WeakPolarHBondContact OD1-CE 3.23Å; D179-K386 IonicContact OD1-NZ 3.48Å; D179-K386 PolarHBondContact OD1-NZ 3.16Å; D179-S391 WeakPolarHBondContact OD2-CB 3.48Å; D179-S391 PolarHBondContact OD2-OG 3.02Å
180	D	94.6	Very high	94.8	Very high	77 Å²	77	35.7 Å²	35.7	41%	0.412	19%	0.194	S	C	.	.			trans	-107	115.9	-179.5	-166.9	3.3	0	0	0	111.7	Q176 S177	Q176-D180 HydrophobicContact CB-CB 4.11Å; Q176-D180 PolarHBondContact N-O 2.74Å; Q176-D180 PolarHBondContact OE1-OD2 2.86Å; S177-D180 PolarHBondContact N-O 3.33Å; S177-D180 VanDerWaalsContact OG-CB 3.28Å; S177-D180 WeakPolarHBondContact OG-CB 3.38Å; S177-D180 PolarHBondContact OG-N 3.5Å
181	F	95.6	Very high	94.7	Very high	47 Å²	47	35.7 Å²	35.7	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.9	-177.4	-64	-101.7	0	0	0	109.8	A143 F147 T173 V174 V175 V178	A143-F181 HydrophobicContact CB-CE1 4.07Å; A143-F181 HydrophobicContact CB-CE2 4.24Å; A143-F181 HydrophobicContact CB-CZ 3.55Å; F147-F181 HydrophobicContact CD2-CZ 4.3Å; F147-F181 AromaticContact CE2-CE1 3.92Å; F147-F181 HydrophobicContact CE2-CE1 3.92Å; F147-F181 AromaticContact CE2-CZ 3.55Å; F147-F181 HydrophobicContact CE2-CZ 3.55Å; F147-F181 HydrophobicContact CZ-CZ 4.39Å; T173-F181 HydrophobicContact CG2-CD1 4.31Å; V174-F181 WeakPolarHBondContact O-CA 3.47Å; V175-F181 HydrophobicContact CB-CD1 4.47Å; V175-F181 HydrophobicContact CB-CE1 4.36Å; V175-F181 HydrophobicContact CG1-CD1 4.35Å; V175-F181 HydrophobicContact CG1-CE1 3.91Å; V175-F181 HydrophobicContact CG1-CZ 4.29Å; V175-F181 HydrophobicContact CG2-CD1 3.95Å; V175-F181 HydrophobicContact CG2-CE1 3.8Å; V178-F181 WeakPolarHBondContact O-CE2 3.39Å
182	L	95.7	Very high	94.7	Very high	54 Å²	54	34.6 Å²	34.6	28%	0.283	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	97.1	170	175.6	65.5	0	0	0	109.5	T173 V174 L184	T173-L182 CarbonylContact C-O 3.35Å; T173-L182 WeakPolarHBondContact CA-O 3.32Å; T173-L182 PolarHBondContact OG1-O 3Å; T173-L182 VanDerWaalsContact OG1-O 3.12Å; V174-L182 HydrophobicContact CB-CB 4.14Å; V174-L182 HydrophobicContact CG2-CB 4.48Å; V174-L182 HydrophobicContact CG2-CD2 4.35Å; V174-L182 PolarHBondContact N-O 2.87Å; V174-L182 PolarHBondContact O-N 2.81Å; L182-L184 HydrophobicContact CD2-CD2 4.1Å; L182-L184 HydrophobicContact CG-CD2 4.02Å; L182-L184 PolarHBondContact O-N 2.9Å
183	L	96.4	Very high	94.5	Very high	71 Å²	71	34.9 Å²	34.9	37%	0.372	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	118.5	174.6	-177.6	64.4	0	0	0	110.3	L7 V171 G185	L7-L183 HydrophobicContact CD1-CB 4.17Å; L7-L183 HydrophobicContact CD1-CD2 4.32Å; V171-L183 HydrophobicContact CG1-CD1 3.66Å; L183-G185 WeakPolarHBondContact CD1-O 3.28Å
184	L	96.3	Very high	94.2	Very high	28 Å²	28	38.2 Å²	38.2	15%	0.147	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-34.1	177.1	-58.3	179.8	0	0	0	111.6	L161 L172 V174 L182 C244 A319 Y322 L323	L161-L184 HydrophobicContact CD1-CD1 3.92Å; L172-L184 HydrophobicContact CG-CB 4.36Å; L172-L184 HydrophobicContact CG-CD1 4.45Å; L172-L184 WeakPolarHBondContact O-CA 3.46Å; L172-L184 WeakPolarHBondContact O-CB 3.3Å; L172-L184 PolarHBondContact O-N 2.97Å; V174-L184 HydrophobicContact CG2-CD1 3.9Å; V174-L184 HydrophobicContact CG2-CD2 4.38Å; V174-L184 HydrophobicContact CG2-CG 4.21Å; L182-L184 HydrophobicContact CD2-CD2 4.1Å; L182-L184 HydrophobicContact CG-CD2 4.02Å; L182-L184 PolarHBondContact O-N 2.9Å; L184-C244 HydrophobicContact CB-CB 4.27Å; L184-C244 WeakPolarHBondContact O-CB 3.27Å; L184-A319 HydrophobicContact CD1-CB 3.69Å; L184-Y322 HydrophobicContact CD2-CD1 3.98Å; L184-Y322 HydrophobicContact CD2-CE1 3.84Å; L184-L323 HydrophobicContact CD1-CD1 4.45Å; L184-L323 HydrophobicContact CD1-CD2 4.27Å; L184-L323 HydrophobicContact CD1-CG 4.46Å
185	G	95.6	Very high	94.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	157.7	178.3	0	0	0	0	0	113.5	L172 L183 N245	L172-G185 PolarHBondContact N-O 3.43Å; L172-G185 PolarHBondContact O-N 3.07Å; L172-G185 VanDerWaalsContact O-N 3.07Å; L183-G185 WeakPolarHBondContact CD1-O 3.28Å; G185-N245 WeakPolarHBondContact CA-OD1 3.47Å
186	S	95.1	Very high	94.1	Very high	39 Å²	39	38.3 Å²	38.3	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	169.3	176	57.4	0	0	0	0	110.8	S170 N245 F246	S170-S186 CarbonylContact O-C 3.56Å; S170-S186 VanDerWaalsContact O-CA 3.25Å; S170-S186 WeakPolarHBondContact O-CA 3.29Å; S186-N245 PolarHBondContact N-OD1 2.84Å; S186-N245 WeakPolarHBondContact O-CA 3.36Å; S186-F246 PolarHBondContact O-N 2.77Å
187	T	92.4	Very high	94	Very high	30 Å²	30	37.4 Å²	37.4	18%	0.184	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-65.7	135.3	171.3	-164.9	0	0	0	0	110.4	S170 D189 I190	S170-T187 PolarHBondContact O-N 3.45Å; S170-T187 VanDerWaalsContact OG-CB 3.29Å; S170-T187 WeakPolarHBondContact OG-CB 3.27Å; S170-T187 PolarHBondContact OG-N 2.86Å; T187-D189 PolarHBondContact OG1-N 3.5Å; T187-I190 PolarHBondContact OG1-O 2.71Å
188	L	91.9	Very high	93.8	Very high	101 Å²	101	40 Å²	40	53%	0.529	21%	0.209	S	C	.	.	S	Bend	trans	-91.3	-17.9	174.7	-59.9	178.8	0	0	0	112.6	I239 N245 F246	L188-I239 HydrophobicContact CD1-CD1 3.83Å; L188-N245 HydrophobicContact CD1-CB 3.93Å; L188-N245 HydrophobicContact CD2-CB 4.07Å; L188-N245 HydrophobicContact CG-CB 3.9Å; L188-F246 PolarHBondContact N-O 3.18Å
189	D	91.9	Very high	93.9	Very high	45 Å²	45	39.3 Å²	39.3	24%	0.241	21%	0.205	C	C	.	.	S	Bend	trans	-132.4	-125.3	-175.6	60.7	21	0	0	0	111.2	T187 S247 Y248 S249	T187-D189 PolarHBondContact OG1-N 3.5Å; D189-S247 VanDerWaalsContact OD1-CA 3.26Å; D189-S247 WeakPolarHBondContact OD1-CA 3.22Å; D189-S247 WeakPolarHBondContact OD2-CB 3.14Å; D189-S247 PolarHBondContact OD2-OG 3.36Å; D189-Y248 PolarHBondContact OD1-N 3.2Å; D189-Y248 PolarHBondContact OD2-N 3.46Å; D189-S249 WeakPolarHBondContact OD2-CB 3.2Å; D189-S249 PolarHBondContact OD2-N 2.78Å; D189-S249 VanDerWaalsContact OD2-N 3.1Å; D189-S249 PolarHBondContact OD2-OG 2.86Å
190	I	92.1	Very high	93.9	Very high	31 Å²	31	36.6 Å²	36.6	16%	0.159	19%	0.191	C	C	.	.	S	Bend	trans	-74.9	161.1	176.3	65.2	177	0	0	0	110.5	T187 E194 A195 Y248 A252	T187-I190 PolarHBondContact OG1-O 2.71Å; I190-E194 HydrophobicContact CB-CB 4.39Å; I190-E194 HydrophobicContact CB-CG 4.28Å; I190-E194 WeakPolarHBondContact CG2-OE1 3.23Å; I190-A195 HydrophobicContact CD1-CB 3.75Å; I190-A195 HydrophobicContact CG1-CB 4.37Å; I190-Y248 VanDerWaalsContact O-CD2 3.28Å; I190-Y248 WeakPolarHBondContact O-CD2 3.11Å; I190-A252 HydrophobicContact CD1-CB 4.19Å
191	A	92.4	Very high	93.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	20%	0.195	C	C	.	.			trans	-81.7	162.2	173.4	0	0	0	0	0	111.6	G167 G193 E194 A195	G167-A191 WeakPolarHBondContact O-CB 3.01Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 2.58Å; A191-E194 HydrophobicContact CB-CB 4.48Å; A191-E194 PolarHBondContact O-N 3.24Å; A191-A195 PolarHBondContact O-N 3.44Å
192	P	94.9	Very high	93.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-37.9	179.5	23.4	-31.6	0	0	0	112.4	L165 A195 F196 Y248 V308 V343	L165-P192 HydrophobicContact CD2-CG 4.39Å; P192-A195 WeakPolarHBondContact O-CB 3.34Å; P192-A195 PolarHBondContact O-N 2.89Å; P192-F196 WeakPolarHBondContact O-CD2 3.29Å; P192-F196 PolarHBondContact O-N 3.25Å; P192-Y248 HydrophobicContact CB-CD1 4.14Å; P192-Y248 HydrophobicContact CB-CD2 4.47Å; P192-Y248 HydrophobicContact CB-CE1 3.86Å; P192-Y248 HydrophobicContact CB-CE2 4.21Å; P192-Y248 HydrophobicContact CB-CG 4.41Å; P192-Y248 HydrophobicContact CG-CE2 4.22Å; P192-V308 HydrophobicContact CB-CG1 4.26Å; P192-V343 HydrophobicContact CB-CG1 4.27Å; P192-V343 HydrophobicContact CB-CG2 4.41Å; P192-V343 HydrophobicContact CG-CG1 4.43Å; P192-V343 HydrophobicContact CG-CG2 4.22Å
193	G	92.8	Very high	93.1	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-40.2	177.4	0	0	0	0	0	112.5	S166 A191 A195 F196 D197	S166-G193 PolarHBondContact O-N 3.22Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 2.58Å; G193-A195 VanDerWaalsContact C-N 3.29Å; G193-A195 PolarHBondContact O-N 3.38Å; G193-F196 CarbonylContact O-C 3.56Å; G193-F196 WeakPolarHBondContact O-CA 3.42Å; G193-F196 WeakPolarHBondContact O-CB 3.44Å; G193-F196 PolarHBondContact O-N 3.02Å; G193-D197 VanDerWaalsContact O-CG 3.31Å; G193-D197 PolarHBondContact O-N 2.83Å
194	E	92.1	Very high	92.7	Very high	79 Å²	79	36.6 Å²	36.6	37%	0.369	18%	0.177	S	C	.	.	H	α-helix	trans	-60.9	-37.9	172.2	-174.2	-178.4	165.5	0	0	112.2	I190 A191 D197 K198	I190-E194 HydrophobicContact CB-CB 4.39Å; I190-E194 HydrophobicContact CB-CG 4.28Å; I190-E194 WeakPolarHBondContact CG2-OE1 3.23Å; A191-E194 HydrophobicContact CB-CB 4.48Å; A191-E194 PolarHBondContact O-N 3.24Å; E194-D197 PolarHBondContact O-N 2.9Å; E194-K198 WeakPolarHBondContact O-CB 3.41Å; E194-K198 PolarHBondContact O-N 3.38Å
195	A	95.2	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-41.7	172.8	0	0	0	0	0	111.8	I190 A191 P192 G193 V199 A252 F304	I190-A195 HydrophobicContact CD1-CB 3.75Å; I190-A195 HydrophobicContact CG1-CB 4.37Å; A191-A195 PolarHBondContact O-N 3.44Å; P192-A195 WeakPolarHBondContact O-CB 3.34Å; P192-A195 PolarHBondContact O-N 2.89Å; G193-A195 VanDerWaalsContact C-N 3.29Å; G193-A195 PolarHBondContact O-N 3.38Å; A195-V199 WeakPolarHBondContact O-CG2 3.24Å; A195-V199 PolarHBondContact O-N 3.4Å; A195-A252 HydrophobicContact CB-CB 4.14Å; A195-F304 HydrophobicContact CB-CZ 4.2Å
196	F	95.7	Very high	92	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-46.1	173.2	-73.4	-64.6	0	0	0	112.5	P192 G193 K198 V199 A200 I221 F304 Q305 V308 V343 F349	P192-F196 WeakPolarHBondContact O-CD2 3.29Å; P192-F196 PolarHBondContact O-N 3.25Å; G193-F196 CarbonylContact O-C 3.56Å; G193-F196 WeakPolarHBondContact O-CA 3.42Å; G193-F196 WeakPolarHBondContact O-CB 3.44Å; G193-F196 PolarHBondContact O-N 3.02Å; F196-K198 VanDerWaalsContact C-N 3.32Å; F196-K198 PolarHBondContact O-N 3.09Å; F196-V199 PolarHBondContact O-N 2.81Å; F196-A200 VanDerWaalsContact O-CB 3.28Å; F196-A200 WeakPolarHBondContact O-CB 3.27Å; F196-A200 PolarHBondContact O-N 2.81Å; F196-I221 HydrophobicContact CD1-CB 3.93Å; F196-I221 HydrophobicContact CD1-CG1 4.07Å; F196-I221 HydrophobicContact CD1-CG2 3.8Å; F196-I221 HydrophobicContact CE1-CB 4.44Å; F196-I221 HydrophobicContact CE1-CG2 3.86Å; F196-F304 AromaticContact CD1-CD1 3.99Å; F196-F304 HydrophobicContact CD1-CD1 3.99Å; F196-F304 AromaticContact CD1-CE1 3.54Å; F196-F304 HydrophobicContact CD1-CE1 3.54Å; F196-F304 HydrophobicContact CE1-CD1 4.01Å; F196-F304 AromaticContact CE1-CE1 3.84Å; F196-F304 HydrophobicContact CE1-CE1 3.84Å; F196-F304 HydrophobicContact CG-CE1 4.31Å; F196-Q305 HydrophobicContact CE1-CB 4.37Å; F196-V308 HydrophobicContact CE1-CG2 4.49Å; F196-V308 HydrophobicContact CE2-CG1 4.07Å; F196-V308 HydrophobicContact CZ-CB 4.05Å; F196-V308 HydrophobicContact CZ-CG1 4Å; F196-V308 HydrophobicContact CZ-CG2 4.22Å; F196-V343 HydrophobicContact CD2-CG1 4.42Å; F196-V343 HydrophobicContact CE2-CG1 3.87Å; F196-F349 HydrophobicContact CE2-CZ 4.03Å; F196-F349 HydrophobicContact CZ-CE2 4.04Å; F196-F349 AromaticContact CZ-CZ 3.77Å; F196-F349 HydrophobicContact CZ-CZ 3.77Å
197	D	92.3	Very high	91.6	Very high	55 Å²	55	41.3 Å²	41.3	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-59.6	-43.1	178.4	-67.2	-27.6	0	0	0	111.6	G193 E194 V199 R201 G217	G193-D197 VanDerWaalsContact O-CG 3.31Å; G193-D197 PolarHBondContact O-N 2.83Å; E194-D197 PolarHBondContact O-N 2.9Å; D197-V199 PolarHBondContact O-N 2.82Å; D197-R201 WeakPolarHBondContact O-CB 3.42Å; D197-R201 PolarHBondContact O-N 3.43Å; D197-G217 WeakPolarHBondContact OD1-CA 3.42Å; D197-G217 PolarHBondContact OD1-N 2.72Å
198	K	91.8	Very high	91.4	Very high	100 Å²	100	42.6 Å²	42.6	44%	0.435	20%	0.202	S	C	.	.	H	α-helix	trans	-61.6	-45	177.8	-176.1	171.9	-178.7	173.6	0	112.3	E194 F196 R202 A252	E194-K198 WeakPolarHBondContact O-CB 3.41Å; E194-K198 PolarHBondContact O-N 3.38Å; F196-K198 VanDerWaalsContact C-N 3.32Å; F196-K198 PolarHBondContact O-N 3.09Å; K198-R202 WeakPolarHBondContact O-CB 3.47Å; K198-R202 PolarHBondContact O-N 3.07Å; K198-A252 HydrophobicContact CD-CB 4.39Å
199	V	94.1	Very high	91.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.6	-44.2	-179.7	177.1	0	0	0	0	110.9	A195 F196 D197 R201 R202 L203 I221 A252 A255 F304	A195-V199 WeakPolarHBondContact O-CG2 3.24Å; A195-V199 PolarHBondContact O-N 3.4Å; F196-V199 PolarHBondContact O-N 2.81Å; D197-V199 PolarHBondContact O-N 2.82Å; V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 PolarHBondContact O-N 2.74Å; V199-R202 PolarHBondContact O-N 2.85Å; V199-L203 HydrophobicContact CG1-CD1 4.01Å; V199-L203 HydrophobicContact CG1-CG 4.49Å; V199-L203 WeakPolarHBondContact O-CB 3.29Å; V199-L203 WeakPolarHBondContact O-CG 3.47Å; V199-L203 PolarHBondContact O-N 2.98Å; V199-I221 HydrophobicContact CB-CD1 4.43Å; V199-I221 HydrophobicContact CG1-CD1 3.94Å; V199-A252 HydrophobicContact CG2-CB 4.29Å; V199-A255 HydrophobicContact CB-CB 4.48Å; V199-A255 HydrophobicContact CG1-CB 3.95Å; V199-A255 HydrophobicContact CG2-CB 3.61Å; V199-F304 HydrophobicContact CB-CD1 4.23Å; V199-F304 HydrophobicContact CB-CE1 3.91Å; V199-F304 HydrophobicContact CB-CZ 4.31Å; V199-F304 HydrophobicContact CG1-CD1 4.13Å; V199-F304 HydrophobicContact CG1-CE1 4.32Å; V199-F304 HydrophobicContact CG2-CD1 4.22Å; V199-F304 HydrophobicContact CG2-CD2 4.49Å; V199-F304 HydrophobicContact CG2-CE1 3.71Å; V199-F304 HydrophobicContact CG2-CE2 4Å; V199-F304 HydrophobicContact CG2-CZ 3.59Å
200	A	93	Very high	91	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-40.7	176.6	0	0	0	0	0	112.2	F196 L203 Q204 L205 G217 L220 I221	F196-A200 VanDerWaalsContact O-CB 3.28Å; F196-A200 WeakPolarHBondContact O-CB 3.27Å; F196-A200 PolarHBondContact O-N 2.81Å; A200-L203 CarbonylContact O-C 3.53Å; A200-L203 PolarHBondContact O-N 3.22Å; A200-Q204 PolarHBondContact O-N 3.27Å; A200-L205 HydrophobicContact CB-CD1 4.09Å; A200-L205 PolarHBondContact O-N 3.35Å; A200-G217 VanDerWaalsContact CB-CA 3.47Å; A200-L220 HydrophobicContact CB-CB 4.33Å; A200-L220 HydrophobicContact CB-CD1 4.4Å; A200-I221 HydrophobicContact CB-CD1 4.33Å; A200-I221 HydrophobicContact CB-CG1 4.06Å
201	R	89.4	Confident	90.8	Very high	133 Å²	133	49.2 Å²	49.2	50%	0.502	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-43.6	176.1	-171.8	-174.3	-52.3	153.4	6.8	112.2	G70 D197 V199 L203 Q204	G70-R201 VanDerWaalsContact CA-NH2 3.32Å; G70-R201 PolarHBondContact O-NH2 3.12Å; D197-R201 WeakPolarHBondContact O-CB 3.42Å; D197-R201 PolarHBondContact O-N 3.43Å; V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 PolarHBondContact O-N 2.74Å; R201-L203 PolarHBondContact O-N 3.3Å; R201-Q204 WeakPolarHBondContact O-CA 3.44Å; R201-Q204 PolarHBondContact O-N 3.07Å
202	R	89.2	Confident	90.7	Very high	62 Å²	62	49.3 Å²	49.3	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-33.7	177.3	-178.3	58.2	-179.6	86.3	-1.9	112.2	K198 V199 Q204 V256 I259 E263	K198-R202 WeakPolarHBondContact O-CB 3.47Å; K198-R202 PolarHBondContact O-N 3.07Å; V199-R202 PolarHBondContact O-N 2.85Å; R202-Q204 VanDerWaalsContact C-N 3.27Å; R202-V256 HydrophobicContact CB-CG2 4.41Å; R202-V256 HydrophobicContact CG-CG1 4.42Å; R202-V256 HydrophobicContact CG-CG2 4.24Å; R202-I259 HydrophobicContact CB-CD1 4.08Å; R202-I259 HydrophobicContact CG-CB 4.45Å; R202-I259 HydrophobicContact CG-CD1 3.63Å; R202-I259 HydrophobicContact CG-CG2 4.21Å; R202-I259 VanDerWaalsContact NH1-CG2 3.26Å; R202-E263 IonicContact CZ-OE1 2.84Å; R202-E263 IonicContact CZ-OE2 3.55Å; R202-E263 IonicContact NH1-OE1 3.83Å; R202-E263 PolarHBondContact NH1-OE1 2.99Å; R202-E263 IonicContact NH1-OE2 2.74Å; R202-E263 PolarHBondContact NH1-OE2 2.78Å; R202-E263 IonicContact NH2-OE1 3.65Å; R202-E263 PolarHBondContact NH2-OE1 2.85Å; R202-E263 IonicContact NH2-OE2 2.81Å; R202-E263 PolarHBondContact NH2-OE2 2.57Å
203	L	90.8	Very high	90.3	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.1	170.9	-74.5	175.9	0	0	0	113.3	V199 A200 R201 L205 I221 I259 F289 I290 M297 L300	V199-L203 HydrophobicContact CG1-CD1 4.01Å; V199-L203 HydrophobicContact CG1-CG 4.49Å; V199-L203 WeakPolarHBondContact O-CB 3.29Å; V199-L203 WeakPolarHBondContact O-CG 3.47Å; V199-L203 PolarHBondContact O-N 2.98Å; A200-L203 CarbonylContact O-C 3.53Å; A200-L203 PolarHBondContact O-N 3.22Å; R201-L203 PolarHBondContact O-N 3.3Å; L203-L205 HydrophobicContact CB-CD1 4.35Å; L203-L205 HydrophobicContact CB-CD2 3.77Å; L203-L205 HydrophobicContact CB-CG 3.68Å; L203-L205 HydrophobicContact CD1-CD1 4.22Å; L203-L205 HydrophobicContact CD1-CD2 4.31Å; L203-L205 HydrophobicContact CD1-CG 4.37Å; L203-L205 PolarHBondContact O-N 3.13Å; L203-L205 VanDerWaalsContact O-N 3.07Å; L203-I221 HydrophobicContact CD1-CD1 4.16Å; L203-I259 HydrophobicContact CD2-CD1 3.59Å; L203-I259 HydrophobicContact CD2-CG1 3.78Å; L203-I259 HydrophobicContact CG-CD1 3.62Å; L203-I259 HydrophobicContact CG-CG1 4.35Å; L203-F289 HydrophobicContact CD2-CB 4.37Å; L203-F289 HydrophobicContact CD2-CD1 3.23Å; L203-F289 HydrophobicContact CD2-CE1 3.64Å; L203-F289 HydrophobicContact CD2-CG 4.05Å; L203-I290 WeakPolarHBondContact O-CD1 2.97Å; L203-I290 WeakPolarHBondContact O-CG1 3.49Å; L203-M297 HydrophobicContact CD2-CG 4.36Å; L203-L300 HydrophobicContact CD1-CD2 4.48Å; L203-L300 HydrophobicContact CD2-CD2 4.24Å
204	Q	88.4	Confident	89.9	Confident	53 Å²	53	61.8 Å²	61.8	25%	0.248	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	35.5	-177.6	-64.9	170.9	-22.8	0	0	113.7	A200 R201 R202 C206 H207 I290	A200-Q204 PolarHBondContact O-N 3.27Å; R201-Q204 WeakPolarHBondContact O-CA 3.44Å; R201-Q204 PolarHBondContact O-N 3.07Å; R202-Q204 VanDerWaalsContact C-N 3.27Å; Q204-C206 PolarHBondContact O-N 2.95Å; Q204-H207 PolarHBondContact O-N 3.5Å; Q204-I290 HydrophobicContact CB-CD1 3.98Å
205	L	90.3	Very high	89.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-60.6	-30.7	-176	-61.3	-178.9	0	0	0	112.1	A200 L203 H207 I208 N212 L220 I221 Y224 M297	A200-L205 HydrophobicContact CB-CD1 4.09Å; A200-L205 PolarHBondContact O-N 3.35Å; L203-L205 HydrophobicContact CB-CD1 4.35Å; L203-L205 HydrophobicContact CB-CD2 3.77Å; L203-L205 HydrophobicContact CB-CG 3.68Å; L203-L205 HydrophobicContact CD1-CD1 4.22Å; L203-L205 HydrophobicContact CD1-CD2 4.31Å; L203-L205 HydrophobicContact CD1-CG 4.37Å; L203-L205 PolarHBondContact O-N 3.13Å; L203-L205 VanDerWaalsContact O-N 3.07Å; L205-H207 PolarHBondContact O-N 3.39Å; L205-I208 HydrophobicContact CB-CD1 4.46Å; L205-I208 HydrophobicContact CD2-CD1 3.58Å; L205-I208 PolarHBondContact O-N 3.37Å; L205-N212 WeakPolarHBondContact O-CB 3.18Å; L205-N212 PolarHBondContact O-ND2 3.31Å; L205-L220 HydrophobicContact CB-CB 4Å; L205-L220 HydrophobicContact CB-CD1 4.12Å; L205-L220 HydrophobicContact CB-CD2 4.36Å; L205-L220 HydrophobicContact CB-CG 4.39Å; L205-L220 HydrophobicContact CD1-CB 3.99Å; L205-I221 HydrophobicContact CD1-CD1 3.71Å; L205-I221 HydrophobicContact CD1-CG1 4.26Å; L205-Y224 HydrophobicContact CB-CD2 4.29Å; L205-Y224 HydrophobicContact CB-CE2 4.21Å; L205-Y224 HydrophobicContact CD1-CD2 3.99Å; L205-Y224 HydrophobicContact CD2-CD2 3.96Å; L205-Y224 HydrophobicContact CD2-CE2 4.3Å; L205-Y224 HydrophobicContact CD2-CG 4.33Å; L205-Y224 HydrophobicContact CG-CD2 4.29Å; L205-M297 HydrophobicContact CD2-CE 4.46Å; L205-M297 HydrophobicContact CD2-CG 4.19Å; L205-M297 HydrophobicContact CD2-SD 3.69Å
206	C	87	Confident	89.6	Confident	33 Å²	33	62.5 Å²	62.5	22%	0.223	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.6	175.5	55.4	0	0	0	0	113.7	Q204 L220	Q204-C206 PolarHBondContact O-N 2.95Å; C206-L220 HydrophobicContact CB-CD1 4.22Å
207	H	86.7	Confident	89.4	Confident	134 Å²	134	62.8 Å²	62.8	62%	0.62	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-96.9	0.1	-177.4	-60.5	-46.9	0	0	0	114	Q204 L205	Q204-H207 PolarHBondContact O-N 3.5Å; L205-H207 PolarHBondContact O-N 3.39Å
208	I	87	Confident	89.4	Confident	57 Å²	57	60.8 Å²	60.8	29%	0.292	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-41.7	-178.1	-59	178.4	0	0	0	111.1	L205 Y224 I290 M297	L205-I208 HydrophobicContact CB-CD1 4.46Å; L205-I208 HydrophobicContact CD2-CD1 3.58Å; L205-I208 PolarHBondContact O-N 3.37Å; I208-Y224 VanDerWaalsContact CB-OH 3.3Å; I208-Y224 WeakPolarHBondContact CB-OH 3.23Å; I208-Y224 HydrophobicContact CD1-CE1 3.92Å; I208-Y224 HydrophobicContact CD1-CE2 4.02Å; I208-Y224 HydrophobicContact CG2-CE1 4.42Å; I208-Y224 WeakPolarHBondContact CG2-OH 3.49Å; I208-I290 HydrophobicContact CD1-CD1 3.94Å; I208-I290 HydrophobicContact CD1-CG1 4.34Å; I208-I290 HydrophobicContact CD1-CG2 3.58Å; I208-I290 HydrophobicContact CG1-CD1 3.76Å; I208-I290 HydrophobicContact CG1-CG2 3.89Å; I208-M297 HydrophobicContact CD1-CE 3.97Å
209	K	88.2	Confident	89.5	Confident	105 Å²	105	60.2 Å²	60.2	46%	0.457	29%	0.294	S	S	.	.	S	Bend	trans	-139.7	149.7	178.7	-51.5	-170.7	-179	178.2	0	110.7	E211 N212	K209-E211 VanDerWaalsContact CB-CD 3.43Å; K209-E211 HydrophobicContact CB-CG 4.14Å; K209-E211 VanDerWaalsContact CB-OE2 3.26Å; K209-E211 WeakPolarHBondContact CB-OE2 3.46Å; K209-E211 HydrophobicContact CD-CG 4.49Å; K209-E211 WeakPolarHBondContact CD-OE1 3.24Å; K209-E211 IonicContact NZ-OE1 3.4Å; K209-E211 PolarHBondContact O-N 3.15Å; K209-N212 VanDerWaalsContact O-CB 3.23Å; K209-N212 WeakPolarHBondContact O-CB 3.37Å; K209-N212 PolarHBondContact O-N 3.07Å
210	P	86.8	Confident	89.6	Confident	107 Å²	107	60.5 Å²	60.5	70%	0.695	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-54.9	-38.2	178.9	-25.9	35.1	0	0	0	113.6	N212 E213	P210-N212 PolarHBondContact O-N 2.97Å; P210-N212 VanDerWaalsContact O-N 3.16Å; P210-E213 PolarHBondContact O-N 3.01Å
211	E	89.2	Confident	89.7	Confident	103 Å²	103	60.4 Å²	60.4	48%	0.481	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17.3	178.2	62.9	-94.6	-146.6	0	0	114.1	K209 E213 M215	K209-E211 VanDerWaalsContact CB-CD 3.43Å; K209-E211 HydrophobicContact CB-CG 4.14Å; K209-E211 VanDerWaalsContact CB-OE2 3.26Å; K209-E211 WeakPolarHBondContact CB-OE2 3.46Å; K209-E211 HydrophobicContact CD-CG 4.49Å; K209-E211 WeakPolarHBondContact CD-OE1 3.24Å; K209-E211 IonicContact NZ-OE1 3.4Å; K209-E211 PolarHBondContact O-N 3.15Å; E211-E213 VanDerWaalsContact C-N 3.34Å; E211-M215 HydrophobicContact CB-CE 4.46Å; E211-M215 HydrophobicContact CG-CE 4.35Å
212	N	89.7	Confident	90.1	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-78.7	-18.4	-179	-68	-2.5	0	0	0	112.9	L205 K209 P210 E214 M215 L220 Y224	L205-N212 WeakPolarHBondContact O-CB 3.18Å; L205-N212 PolarHBondContact O-ND2 3.31Å; K209-N212 VanDerWaalsContact O-CB 3.23Å; K209-N212 WeakPolarHBondContact O-CB 3.37Å; K209-N212 PolarHBondContact O-N 3.07Å; P210-N212 PolarHBondContact O-N 2.97Å; P210-N212 VanDerWaalsContact O-N 3.16Å; N212-E214 PolarHBondContact O-N 3.22Å; N212-M215 PolarHBondContact O-N 2.92Å; N212-L220 HydrophobicContact CB-CD2 3.53Å; N212-Y224 PolarHBondContact ND2-OH 3.03Å
213	E	85.8	Confident	90.4	Very high	114 Å²	114	53.9 Å²	53.9	53%	0.533	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.9	-175.1	-68	-172.4	176.9	0	0	112.9	P210 E211	P210-E213 PolarHBondContact O-N 3.01Å; E211-E213 VanDerWaalsContact C-N 3.34Å
214	E	85.5	Confident	90.6	Very high	155 Å²	155	54.8 Å²	54.8	72%	0.724	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.5	-179.1	-59.7	-172.1	160.7	0	0	113.1	N212	N212-E214 PolarHBondContact O-N 3.22Å
215	M	89.9	Confident	91.1	Very high	55 Å²	55	52.5 Å²	52.5	27%	0.271	27%	0.27	S	S	.	.	S	Bend	trans	-90	137.1	-177.9	-64.3	-170.1	-172.3	0	0	111.9	T67 E211 N212 K219 L220	T67-M215 WeakPolarHBondContact CG2-O 3.26Å; E211-M215 HydrophobicContact CB-CE 4.46Å; E211-M215 HydrophobicContact CG-CE 4.35Å; N212-M215 PolarHBondContact O-N 2.92Å; M215-K219 HydrophobicContact CB-CB 4.31Å; M215-K219 HydrophobicContact CB-CG 4.3Å; M215-K219 HydrophobicContact CG-CG 4.32Å; M215-K219 HydrophobicContact SD-CG 3.99Å; M215-L220 HydrophobicContact CB-CD2 3.78Å; M215-L220 HydrophobicContact CB-CG 3.81Å; M215-L220 HydrophobicContact CG-CD2 4.47Å; M215-L220 HydrophobicContact SD-CD2 4.15Å
216	S	89.7	Confident	91.3	Very high	39 Å²	39	59 Å²	59	27%	0.273	30%	0.3	S	S	.	.			trans	-62	155.3	170.6	68.7	0	0	0	0	111.4	G218 K219 L220	S216-G218 PolarHBondContact O-N 2.73Å; S216-K219 WeakPolarHBondContact O-CA 3.45Å; S216-K219 WeakPolarHBondContact O-CB 3.14Å; S216-K219 PolarHBondContact O-N 2.62Å; S216-K219 PolarHBondContact OG-N 3.2Å; S216-L220 WeakPolarHBondContact O-CG 3.38Å; S216-L220 PolarHBondContact O-N 2.96Å
217	G	91.8	Very high	91.4	Very high	6 Å²	6	63 Å²	63	6%	0.062	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-33.9	178.6	0	0	0	0	0	112.9	D197 A200 K219 L220 I221	D197-G217 WeakPolarHBondContact OD1-CA 3.42Å; D197-G217 PolarHBondContact OD1-N 2.72Å; A200-G217 VanDerWaalsContact CB-CA 3.47Å; G217-K219 VanDerWaalsContact C-N 3.32Å; G217-K219 PolarHBondContact O-N 2.93Å; G217-L220 PolarHBondContact O-N 3.12Å; G217-I221 WeakPolarHBondContact O-CB 3.32Å; G217-I221 VanDerWaalsContact O-CG1 3.23Å; G217-I221 WeakPolarHBondContact O-CG1 3.13Å; G217-I221 PolarHBondContact O-N 3.05Å
218	G	93.8	Very high	91.8	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-41.1	171.1	0	0	0	0	0	113	S216 E222	S216-G218 PolarHBondContact O-N 2.73Å; G218-E222 WeakPolarHBondContact O-CB 3.29Å; G218-E222 PolarHBondContact O-N 3.46Å; G218-E222 VanDerWaalsContact O-N 3.11Å
219	K	93.8	Very high	92.3	Very high	88 Å²	88	58.4 Å²	58.4	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-72.1	-40.3	176.7	-175.5	66	-166.2	169.6	0	111.8	M215 S216 G217 E222 T223	M215-K219 HydrophobicContact CB-CB 4.31Å; M215-K219 HydrophobicContact CB-CG 4.3Å; M215-K219 HydrophobicContact CG-CG 4.32Å; M215-K219 HydrophobicContact SD-CG 3.99Å; S216-K219 WeakPolarHBondContact O-CA 3.45Å; S216-K219 WeakPolarHBondContact O-CB 3.14Å; S216-K219 PolarHBondContact O-N 2.62Å; S216-K219 PolarHBondContact OG-N 3.2Å; G217-K219 VanDerWaalsContact C-N 3.32Å; G217-K219 PolarHBondContact O-N 2.93Å; K219-E222 WeakPolarHBondContact CD-OE2 3.45Å; K219-E222 IonicContact NZ-OE2 3.48Å; K219-E222 PolarHBondContact NZ-OE2 3.07Å; K219-E222 WeakPolarHBondContact O-CB 3.25Å; K219-E222 PolarHBondContact O-N 3.44Å; K219-T223 PolarHBondContact O-N 3.28Å; K219-T223 PolarHBondContact O-OG1 2.87Å
220	L	94.4	Very high	92.8	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-50.6	176.2	-69.7	169.9	0	0	0	111.4	A200 L205 C206 N212 M215 S216 G217 E222 T223 Y224	A200-L220 HydrophobicContact CB-CB 4.33Å; A200-L220 HydrophobicContact CB-CD1 4.4Å; L205-L220 HydrophobicContact CB-CB 4Å; L205-L220 HydrophobicContact CB-CD1 4.12Å; L205-L220 HydrophobicContact CB-CD2 4.36Å; L205-L220 HydrophobicContact CB-CG 4.39Å; L205-L220 HydrophobicContact CD1-CB 3.99Å; C206-L220 HydrophobicContact CB-CD1 4.22Å; N212-L220 HydrophobicContact CB-CD2 3.53Å; M215-L220 HydrophobicContact CB-CD2 3.78Å; M215-L220 HydrophobicContact CB-CG 3.81Å; M215-L220 HydrophobicContact CG-CD2 4.47Å; M215-L220 HydrophobicContact SD-CD2 4.15Å; S216-L220 WeakPolarHBondContact O-CG 3.38Å; S216-L220 PolarHBondContact O-N 2.96Å; G217-L220 PolarHBondContact O-N 3.12Å; L220-E222 VanDerWaalsContact C-N 3.28Å; L220-E222 PolarHBondContact O-N 2.95Å; L220-T223 PolarHBondContact O-N 2.85Å; L220-Y224 VanDerWaalsContact O-CD2 3.25Å; L220-Y224 WeakPolarHBondContact O-CD2 3.43Å; L220-Y224 PolarHBondContact O-N 2.88Å
221	I	96.7	Very high	93.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-41.1	177.5	-66.1	-73.3	0	0	0	110.4	F196 V199 A200 L203 L205 G217 Y224 A225 C301 F304 Q305	F196-I221 HydrophobicContact CD1-CB 3.93Å; F196-I221 HydrophobicContact CD1-CG1 4.07Å; F196-I221 HydrophobicContact CD1-CG2 3.8Å; F196-I221 HydrophobicContact CE1-CB 4.44Å; F196-I221 HydrophobicContact CE1-CG2 3.86Å; V199-I221 HydrophobicContact CB-CD1 4.43Å; V199-I221 HydrophobicContact CG1-CD1 3.94Å; A200-I221 HydrophobicContact CB-CD1 4.33Å; A200-I221 HydrophobicContact CB-CG1 4.06Å; L203-I221 HydrophobicContact CD1-CD1 4.16Å; L205-I221 HydrophobicContact CD1-CD1 3.71Å; L205-I221 HydrophobicContact CD1-CG1 4.26Å; G217-I221 WeakPolarHBondContact O-CB 3.32Å; G217-I221 VanDerWaalsContact O-CG1 3.23Å; G217-I221 WeakPolarHBondContact O-CG1 3.13Å; G217-I221 PolarHBondContact O-N 3.05Å; I221-Y224 PolarHBondContact O-N 2.88Å; I221-A225 WeakPolarHBondContact O-CB 3.43Å; I221-A225 PolarHBondContact O-N 3.24Å; I221-C301 HydrophobicContact CD1-CB 4.39Å; I221-C301 HydrophobicContact CG2-CB 4.2Å; I221-F304 HydrophobicContact CG2-CD1 4.37Å; I221-Q305 HydrophobicContact CG2-CB 4.22Å
222	E	97.3	Very high	93.6	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-49.5	174.3	-171.8	-173.2	-154	0	0	112.3	G218 K219 L220 Y224 A225 Q226 N346 S347	G218-E222 WeakPolarHBondContact O-CB 3.29Å; G218-E222 PolarHBondContact O-N 3.46Å; G218-E222 VanDerWaalsContact O-N 3.11Å; K219-E222 WeakPolarHBondContact CD-OE2 3.45Å; K219-E222 IonicContact NZ-OE2 3.48Å; K219-E222 PolarHBondContact NZ-OE2 3.07Å; K219-E222 WeakPolarHBondContact O-CB 3.25Å; K219-E222 PolarHBondContact O-N 3.44Å; L220-E222 VanDerWaalsContact C-N 3.28Å; L220-E222 PolarHBondContact O-N 2.95Å; E222-Y224 VanDerWaalsContact C-N 3.34Å; E222-Y224 PolarHBondContact O-N 2.9Å; E222-A225 PolarHBondContact O-N 2.92Å; E222-Q226 WeakPolarHBondContact O-CG 3.44Å; E222-N346 WeakPolarHBondContact CB-ND2 3.47Å; E222-S347 VanDerWaalsContact OE1-CB 3.22Å; E222-S347 WeakPolarHBondContact OE1-CB 3.43Å; E222-S347 PolarHBondContact OE1-N 3.38Å; E222-S347 PolarHBondContact OE1-OG 3.23Å
223	T	95.9	Very high	94	Very high	45 Å²	45	56.4 Å²	56.4	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-45.3	-178.5	-62.3	0	0	0	0	111.2	K219 L220	K219-T223 PolarHBondContact O-N 3.28Å; K219-T223 PolarHBondContact O-OG1 2.87Å; L220-T223 PolarHBondContact O-N 2.85Å
224	Y	95.3	Very high	94.5	Very high	20 Å²	20	59 Å²	59	8%	0.078	31%	0.311	C	S	.	.	H	α-helix	trans	-81.6	-16.9	-179	-71.9	-73	0	0	0	113.8	L205 I208 N212 L220 I221 E222 M297 K298	L205-Y224 HydrophobicContact CB-CD2 4.29Å; L205-Y224 HydrophobicContact CB-CE2 4.21Å; L205-Y224 HydrophobicContact CD1-CD2 3.99Å; L205-Y224 HydrophobicContact CD2-CD2 3.96Å; L205-Y224 HydrophobicContact CD2-CE2 4.3Å; L205-Y224 HydrophobicContact CD2-CG 4.33Å; L205-Y224 HydrophobicContact CG-CD2 4.29Å; I208-Y224 VanDerWaalsContact CB-OH 3.3Å; I208-Y224 WeakPolarHBondContact CB-OH 3.23Å; I208-Y224 HydrophobicContact CD1-CE1 3.92Å; I208-Y224 HydrophobicContact CD1-CE2 4.02Å; I208-Y224 HydrophobicContact CG2-CE1 4.42Å; I208-Y224 WeakPolarHBondContact CG2-OH 3.49Å; N212-Y224 PolarHBondContact ND2-OH 3.03Å; L220-Y224 VanDerWaalsContact O-CD2 3.25Å; L220-Y224 WeakPolarHBondContact O-CD2 3.43Å; L220-Y224 PolarHBondContact O-N 2.88Å; I221-Y224 PolarHBondContact O-N 2.88Å; E222-Y224 VanDerWaalsContact C-N 3.34Å; E222-Y224 PolarHBondContact O-N 2.9Å; Y224-M297 HydrophobicContact CD1-CE 3.53Å; Y224-M297 HydrophobicContact CD1-SD 3.88Å; Y224-M297 HydrophobicContact CE1-CE 3.91Å; Y224-M297 HydrophobicContact CG-CE 4.16Å; Y224-M297 HydrophobicContact CG-SD 3.91Å; Y224-K298 VanDerWaalsContact O-CA 3.27Å; Y224-K298 WeakPolarHBondContact O-CA 3.22Å; Y224-K298 VanDerWaalsContact O-CB 3.22Å; Y224-K298 WeakPolarHBondContact O-CB 3.39Å; Y224-K298 VanDerWaalsContact O-CG 3.24Å; Y224-K298 WeakPolarHBondContact O-CG 3.29Å
225	A	97.4	Very high	95	Very high	6 Å²	6	52 Å²	52	5%	0.05	28%	0.278	C	S	.	.	H	α-helix	trans	-75.7	-18	175.5	0	0	0	0	0	114.2	I221 E222 D227 G228 C301 A302	I221-A225 WeakPolarHBondContact O-CB 3.43Å; I221-A225 PolarHBondContact O-N 3.24Å; E222-A225 PolarHBondContact O-N 2.92Å; A225-D227 VanDerWaalsContact C-N 3.29Å; A225-D227 PolarHBondContact O-N 2.97Å; A225-G228 PolarHBondContact O-N 3.03Å; A225-G228 VanDerWaalsContact O-N 3.11Å; A225-C301 HydrophobicContact CB-CB 4.08Å; A225-A302 HydrophobicContact CB-CB 4.09Å
226	Q	95	Very high	95.1	Very high	135 Å²	135	52.4 Å²	52.4	63%	0.631	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.9	-168.7	-68.5	-175.2	-18.3	0	0	114.3	E222	E222-Q226 WeakPolarHBondContact O-CG 3.44Å
227	D	89.6	Confident	95.1	Very high	117 Å²	117	55.3 Å²	55.3	63%	0.626	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	14.1	-179.5	-41.3	-53.6	0	0	0	113.1	A225 K298	A225-D227 VanDerWaalsContact C-N 3.29Å; A225-D227 PolarHBondContact O-N 2.97Å; D227-K298 HydrophobicContact CB-CD 4.07Å; D227-K298 IonicContact OD2-NZ 3.85Å; D227-K298 PolarHBondContact OD2-NZ 3.06Å
228	G	95.8	Very high	94.6	Very high	17 Å²	17	56.8 Å²	56.8	18%	0.175	30%	0.299	C	S	.	.	S	Bend	trans	-93.2	151.7	-178.5	0	0	0	0	0	113	A225 D299 A302	A225-G228 PolarHBondContact O-N 3.03Å; A225-G228 VanDerWaalsContact O-N 3.11Å; G228-D299 WeakPolarHBondContact CA-OD1 3.48Å; G228-A302 WeakPolarHBondContact O-CB 3.35Å
229	D	97.5	Very high	93.9	Very high	79 Å²	79	57.5 Å²	57.5	42%	0.422	30%	0.3	S	S	.	.			trans	-76.9	121.5	169.2	179.5	11.4	0	0	0	110.9	L231 A232 D299 S303	D229-L231 PolarHBondContact O-N 3.05Å; D229-L231 PolarHBondContact OD1-N 3.15Å; D229-A232 HydrophobicContact CB-CB 4.08Å; D229-A232 PolarHBondContact O-N 3.47Å; D229-D299 PolarHBondContact N-OD1 3.39Å; D229-S303 PolarHBondContact O-OG 3.36Å
230	I	97.8	Very high	92.9	Very high	59 Å²	59	64 Å²	64	30%	0.303	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.9	178.1	64.1	169.1	0	0	0	113.5	A302 S303 H306 Y348	I230-A302 HydrophobicContact CG2-CB 4.1Å; I230-S303 PolarHBondContact O-OG 3.41Å; I230-H306 HydrophobicContact CB-CB 3.86Å; I230-H306 HydrophobicContact CG2-CB 4.05Å; I230-Y348 HydrophobicContact CG2-CE2 4.45Å
231	L	97.2	Very high	92.2	Very high	132 Å²	132	72.2 Å²	72.2	69%	0.691	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-4.5	-178.8	-57.8	-175.3	0	0	0	113.7	D229 F233	D229-L231 PolarHBondContact O-N 3.05Å; D229-L231 PolarHBondContact OD1-N 3.15Å; L231-F233 VanDerWaalsContact C-N 3.26Å; L231-F233 PolarHBondContact O-N 3.25Å
232	A	96.6	Very high	91.5	Very high	45 Å²	45	83.1 Å²	83.1	37%	0.372	39%	0.394	S	S	.	.	S	Bend	trans	-62	-30.8	-176.4	0	0	0	0	0	113.7	D229 D299 S303	D229-A232 HydrophobicContact CB-CB 4.08Å; D229-A232 PolarHBondContact O-N 3.47Å; A232-D299 HydrophobicContact CB-CB 3.65Å; A232-S303 PolarHBondContact N-OG 2.92Å
233	F	96.6	Very high	91.3	Very high	40 Å²	40	84.1 Å²	84.1	18%	0.175	40%	0.399	C	S	.	.	S	Bend	trans	-124.6	127.8	178.6	-64.8	-94.5	0	0	0	112	L231 F235 Y258 F289 D299 L300 S303	L231-F233 VanDerWaalsContact C-N 3.26Å; L231-F233 PolarHBondContact O-N 3.25Å; F233-F235 HydrophobicContact CB-CD2 4.35Å; F233-F235 HydrophobicContact CB-CE2 3.84Å; F233-F235 WeakPolarHBondContact O-CD2 3.41Å; F233-F235 PolarHBondContact O-N 3.03Å; F233-Y258 HydrophobicContact CB-CD2 4.32Å; F233-Y258 HydrophobicContact CB-CE2 4.05Å; F233-Y258 AromaticContact CD1-CD1 3.61Å; F233-Y258 HydrophobicContact CD1-CD1 3.61Å; F233-Y258 AromaticContact CD1-CD2 3.86Å; F233-Y258 HydrophobicContact CD1-CD2 3.86Å; F233-Y258 AromaticContact CD1-CE1 3.92Å; F233-Y258 HydrophobicContact CD1-CE1 3.92Å; F233-Y258 HydrophobicContact CD1-CE2 4.16Å; F233-Y258 AromaticContact CD1-CG 3.59Å; F233-Y258 HydrophobicContact CD1-CG 3.59Å; F233-Y258 HydrophobicContact CE1-CD1 4.03Å; F233-Y258 HydrophobicContact CE1-CG 4.05Å; F233-Y258 HydrophobicContact CG-CD2 4.45Å; F233-F289 HydrophobicContact CZ-CZ 4.42Å; F233-D299 HydrophobicContact CD2-CB 4.33Å; F233-D299 HydrophobicContact CE2-CB 3.89Å; F233-L300 HydrophobicContact CB-CD1 4.34Å; F233-L300 HydrophobicContact CD1-CD1 4.06Å; F233-L300 HydrophobicContact CD2-CB 4.09Å; F233-L300 HydrophobicContact CD2-CD1 4.06Å; F233-L300 HydrophobicContact CE1-CD1 4.36Å; F233-L300 HydrophobicContact CE2-CB 3.81Å; F233-L300 HydrophobicContact CE2-CD1 4.36Å; F233-L300 HydrophobicContact CG-CD1 3.9Å; F233-L300 HydrophobicContact CZ-CB 4.24Å; F233-L300 HydrophobicContact CZ-CD1 4.5Å; F233-S303 PolarHBondContact N-OG 3Å; F233-S303 VanDerWaalsContact N-OG 3.1Å
234	E	96.3	Very high	91.2	Very high	169 Å²	169	82.5 Å²	82.5	79%	0.79	39%	0.389	S	S	*	.			trans	-85.5	102.7	-178.8	-168.8	-175.1	175.8	0	0	112.6	Y258	E234-Y258 PolarHBondContact O-OH 3.5Å
235	F	97	Very high	91.3	Very high	6 Å²	6	83.3 Å²	83.3	3%	0.026	40%	0.395	C	S	.	.			trans	-86.2	142.3	175.9	-77	-92.3	0	0	0	113.6	F233 L251 A254 A255 Y258 L300 F304 A307 R310	F233-F235 HydrophobicContact CB-CD2 4.35Å; F233-F235 HydrophobicContact CB-CE2 3.84Å; F233-F235 WeakPolarHBondContact O-CD2 3.41Å; F233-F235 PolarHBondContact O-N 3.03Å; F235-L251 HydrophobicContact CB-CD2 4.04Å; F235-L251 HydrophobicContact CD1-CD2 4.2Å; F235-L251 WeakPolarHBondContact CE1-O 3.15Å; F235-A254 HydrophobicContact CD1-CB 3.92Å; F235-A254 HydrophobicContact CE1-CB 4.03Å; F235-A255 HydrophobicContact CE1-CB 3.84Å; F235-A255 HydrophobicContact CZ-CB 3.99Å; F235-Y258 HydrophobicContact CE1-CD2 4.5Å; F235-Y258 HydrophobicContact CE1-CE2 4.46Å; F235-Y258 HydrophobicContact CE2-CE2 4.4Å; F235-Y258 HydrophobicContact CZ-CD2 4.17Å; F235-Y258 HydrophobicContact CZ-CE2 4.27Å; F235-L300 HydrophobicContact CE2-CD1 4.27Å; F235-L300 HydrophobicContact CZ-CD1 3.87Å; F235-F304 HydrophobicContact CD1-CD2 4.36Å; F235-F304 HydrophobicContact CE1-CB 4.38Å; F235-F304 AromaticContact CE1-CD2 3.68Å; F235-F304 HydrophobicContact CE1-CD2 3.68Å; F235-F304 HydrophobicContact CE2-CB 4.12Å; F235-F304 HydrophobicContact CZ-CB 3.75Å; F235-F304 AromaticContact CZ-CD2 3.94Å; F235-F304 HydrophobicContact CZ-CD2 3.94Å; F235-F304 HydrophobicContact CZ-CG 4.32Å; F235-A307 HydrophobicContact CB-CB 3.39Å; F235-A307 HydrophobicContact CD1-CB 4.22Å; F235-A307 HydrophobicContact CD2-CB 3.86Å; F235-A307 HydrophobicContact CG-CB 3.55Å; F235-R310 PolarHBondContact O-NH2 3.46Å
236	P	92.5	Very high	91.2	Very high	65 Å²	65	83 Å²	83	42%	0.422	39%	0.393	S	S	.	.			trans	-67.9	165.4	178.5	29.9	-36.2	0	0	0	112.6	P238 L251 A254	P236-P238 WeakPolarHBondContact O-CD 3.4Å; P236-L251 WeakPolarHBondContact O-CD2 3.16Å; P236-A254 HydrophobicContact CG-CB 4.25Å
237	Y	88.9	Confident	91.1	Very high	99 Å²	99	77.4 Å²	77.4	39%	0.388	37%	0.368	S	S	.	.			trans	-89.8	112.6	167.9	-72.3	-68.7	0	0	0	110.1	I239 K314	Y237-I239 PolarHBondContact O-N 3.41Å; Y237-K314 HydrophobicContact CD1-CD 4.39Å; Y237-K314 HydrophobicContact CE1-CD 4.05Å; Y237-K314 PolarHBondContact OH-NZ 3.25Å; Y237-K314 VanDerWaalsContact OH-NZ 3.16Å
238	P	81.5	Confident	91.4	Very high	37 Å²	37	71.8 Å²	71.8	24%	0.24	34%	0.339	C	S	.	.	S	Bend	trans	-62.9	-45.2	-170.8	-26.2	36.3	0	0	0	114.1	P236 S247 L251	P236-P238 WeakPolarHBondContact O-CD 3.4Å; P238-S247 WeakPolarHBondContact CB-O 3.26Å; P238-S247 WeakPolarHBondContact CG-O 3.35Å; P238-L251 HydrophobicContact CG-CD1 3.98Å; P238-L251 HydrophobicContact CG-CD2 3.83Å; P238-L251 HydrophobicContact CG-CG 3.64Å
239	I	78.8	Confident	91.4	Very high	30 Å²	30	73.2 Å²	73.2	15%	0.154	35%	0.346	C	S	.	.			trans	-129.9	116.6	-176.9	-61.3	168.2	0	0	0	109.3	L188 Y237 R241 N245 S247	L188-I239 HydrophobicContact CD1-CD1 3.83Å; Y237-I239 PolarHBondContact O-N 3.41Å; I239-R241 HydrophobicContact CG2-CB 3.68Å; I239-R241 HydrophobicContact CG2-CG 4.1Å; I239-N245 WeakPolarHBondContact CD1-O 3.45Å; I239-S247 VanDerWaalsContact CD1-CB 3.47Å
240	R	73.6	Confident	91.3	Very high	224 Å²	224	70.9 Å²	70.9	85%	0.845	34%	0.34	S	S	*	.			trans	-89.2	-4.3	172.8	-65.3	-176.3	176.1	177.2	-1.9	113.8
241	R	78.9	Confident	91.2	Very high	179 Å²	179	68.1 Å²	68.1	68%	0.675	33%	0.326	S	S	*	.	S	Bend	trans	-64	149.3	176.9	-63.3	-177.3	177.7	165.5	-0.1	111.5	I239 D243	I239-R241 HydrophobicContact CG2-CB 3.68Å; I239-R241 HydrophobicContact CG2-CG 4.1Å; R241-D243 PolarHBondContact O-N 3Å; R241-D243 VanDerWaalsContact O-N 3.08Å
242	R	83.1	Confident	91.2	Very high	229 Å²	229	61.8 Å²	61.8	86%	0.864	29%	0.293	S	S	*	.	S	Bend	trans	-82.7	40.5	178.9	-60.9	-176	180	-175.9	0.4	112.7
243	D	92.2	Very high	91.2	Very high	33 Å²	33	61.9 Å²	61.9	18%	0.176	29%	0.291	C	S	.	.	S	Bend	trans	-113.5	176.2	173.9	64.9	15	0	0	0	111.1	R241 N245 K315	R241-D243 PolarHBondContact O-N 3Å; R241-D243 VanDerWaalsContact O-N 3.08Å; D243-N245 PolarHBondContact OD1-N 3.14Å; D243-N245 PolarHBondContact OD2-ND2 2.82Å; D243-K315 WeakPolarHBondContact O-CD 3.3Å; D243-K315 PolarHBondContact O-NZ 3.08Å; D243-K315 IonicContact OD1-NZ 3.47Å; D243-K315 PolarHBondContact OD1-NZ 3.41Å
244	C	94.5	Very high	91.2	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.074	29%	0.289	C	S	.	.			trans	-100.1	12.8	176	-52.4	0	0	0	0	113.1	L172 L184 F246	L172-C244 HydrophobicContact CD2-CB 4.08Å; L184-C244 HydrophobicContact CB-CB 4.27Å; L184-C244 WeakPolarHBondContact O-CB 3.27Å; C244-F246 WeakPolarHBondContact O-CE2 3.12Å
245	N	95.8	Very high	91.2	Very high	37 Å²	37	52.7 Å²	52.7	20%	0.198	25%	0.251	C	S	.	.			trans	-73	148.2	178.2	-67	-46	0	0	0	111.8	G185 S186 L188 I239 D243 K315	G185-N245 WeakPolarHBondContact CA-OD1 3.47Å; S186-N245 PolarHBondContact N-OD1 2.84Å; S186-N245 WeakPolarHBondContact O-CA 3.36Å; L188-N245 HydrophobicContact CD1-CB 3.93Å; L188-N245 HydrophobicContact CD2-CB 4.07Å; L188-N245 HydrophobicContact CG-CB 3.9Å; I239-N245 WeakPolarHBondContact CD1-O 3.45Å; D243-N245 PolarHBondContact OD1-N 3.14Å; D243-N245 PolarHBondContact OD2-ND2 2.82Å; N245-K315 VanDerWaalsContact O-CD 3.24Å; N245-K315 WeakPolarHBondContact O-CD 3.43Å; N245-K315 WeakPolarHBondContact O-CE 3.37Å; N245-K315 PolarHBondContact O-NZ 3.26Å
246	F	95.1	Very high	91.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-106.2	160.1	-178.5	-52.5	-87.4	0	0	0	111.7	L163 S170 L172 S186 L188 C244 Y248 I312 K315	L163-F246 HydrophobicContact CD1-CZ 3.88Å; S170-F246 WeakPolarHBondContact OG-CB 3.1Å; S170-F246 VanDerWaalsContact OG-CD2 3.29Å; S170-F246 WeakPolarHBondContact OG-CD2 3.2Å; S170-F246 WeakPolarHBondContact OG-CG 3.24Å; L172-F246 HydrophobicContact CB-CE2 3.85Å; L172-F246 HydrophobicContact CB-CZ 3.95Å; L172-F246 HydrophobicContact CD2-CZ 4.23Å; S186-F246 PolarHBondContact O-N 2.77Å; L188-F246 PolarHBondContact N-O 3.18Å; C244-F246 WeakPolarHBondContact O-CE2 3.12Å; F246-Y248 HydrophobicContact CB-CD2 4.47Å; F246-Y248 HydrophobicContact CB-CE2 3.57Å; F246-Y248 WeakPolarHBondContact CD1-OH 3.41Å; F246-Y248 HydrophobicContact CG-CE2 4.41Å; F246-I312 HydrophobicContact CD1-CG1 4.33Å; F246-I312 HydrophobicContact CE1-CB 4.45Å; F246-I312 HydrophobicContact CE1-CG1 4.33Å; F246-I312 HydrophobicContact CE1-CG2 4.27Å; F246-K315 HydrophobicContact CD1-CB 4.01Å; F246-K315 HydrophobicContact CD1-CG 3.96Å; F246-K315 HydrophobicContact CE1-CB 3.48Å; F246-K315 VanDerWaalsContact CE1-CB 3.48Å; F246-K315 HydrophobicContact CE1-CG 3.97Å; F246-K315 HydrophobicContact CZ-CB 4.07Å
247	S	94.8	Very high	91.2	Very high	17 Å²	17	59 Å²	59	12%	0.119	27%	0.269	C	S	.	.			trans	-161.9	130.8	174.9	160.9	0	0	0	0	107.9	D189 P238 I239 H311	D189-S247 VanDerWaalsContact OD1-CA 3.26Å; D189-S247 WeakPolarHBondContact OD1-CA 3.22Å; D189-S247 WeakPolarHBondContact OD2-CB 3.14Å; D189-S247 PolarHBondContact OD2-OG 3.36Å; P238-S247 WeakPolarHBondContact CB-O 3.26Å; P238-S247 WeakPolarHBondContact CG-O 3.35Å; I239-S247 VanDerWaalsContact CD1-CB 3.47Å; S247-H311 PolarHBondContact N-NE2 3.39Å; S247-H311 PolarHBondContact O-CD2 2.94Å; S247-H311 VanDerWaalsContact O-CD2 3.24Å; S247-H311 PolarHBondContact O-NE2 2.71Å
248	Y	95.9	Very high	91.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.262	C	S	.	.			trans	-125.8	-12.8	-174.1	-53.2	-85.2	0	0	0	112.7	S170 D189 I190 P192 F246 G250 L251 A252 V308 H311 I312	S170-Y248 WeakPolarHBondContact CB-OH 3.37Å; S170-Y248 PolarHBondContact OG-OH 3.4Å; D189-Y248 PolarHBondContact OD1-N 3.2Å; D189-Y248 PolarHBondContact OD2-N 3.46Å; I190-Y248 VanDerWaalsContact O-CD2 3.28Å; I190-Y248 WeakPolarHBondContact O-CD2 3.11Å; P192-Y248 HydrophobicContact CB-CD1 4.14Å; P192-Y248 HydrophobicContact CB-CD2 4.47Å; P192-Y248 HydrophobicContact CB-CE1 3.86Å; P192-Y248 HydrophobicContact CB-CE2 4.21Å; P192-Y248 HydrophobicContact CB-CG 4.41Å; P192-Y248 HydrophobicContact CG-CE2 4.22Å; F246-Y248 HydrophobicContact CB-CD2 4.47Å; F246-Y248 HydrophobicContact CB-CE2 3.57Å; F246-Y248 WeakPolarHBondContact CD1-OH 3.41Å; F246-Y248 HydrophobicContact CG-CE2 4.41Å; Y248-G250 VanDerWaalsContact C-N 3.3Å; Y248-G250 PolarHBondContact O-N 3.41Å; Y248-L251 PolarHBondContact O-N 3.5Å; Y248-L251 VanDerWaalsContact O-N 3.12Å; Y248-A252 PolarHBondContact O-N 3.04Å; Y248-V308 HydrophobicContact CD1-CG1 3.94Å; Y248-V308 HydrophobicContact CE1-CG1 3.89Å; Y248-H311 AromaticContact CE1-CD2 3.99Å; Y248-I312 HydrophobicContact CE1-CD1 3.98Å; Y248-I312 HydrophobicContact CE1-CG1 3.87Å; Y248-I312 WeakPolarHBondContact OH-CG1 3.41Å
249	S	94.5	Very high	91.9	Very high	46 Å²	46	55.5 Å²	55.5	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-39.1	-179.2	64.2	0	0	0	0	112.9	D189 A252 S253	D189-S249 WeakPolarHBondContact OD2-CB 3.2Å; D189-S249 PolarHBondContact OD2-N 2.78Å; D189-S249 VanDerWaalsContact OD2-N 3.1Å; D189-S249 PolarHBondContact OD2-OG 2.86Å; S249-A252 PolarHBondContact O-N 3.48Å; S249-S253 VanDerWaalsContact O-CB 3.3Å; S249-S253 WeakPolarHBondContact O-CB 3.23Å; S249-S253 PolarHBondContact O-N 2.72Å; S249-S253 PolarHBondContact O-OG 3.35Å
250	G	95	Very high	92.4	Very high	30 Å²	30	56.4 Å²	56.4	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-37.1	176.9	0	0	0	0	0	113.1	Y248 A254	Y248-G250 VanDerWaalsContact C-N 3.3Å; Y248-G250 PolarHBondContact O-N 3.41Å; G250-A254 WeakPolarHBondContact O-CB 3.31Å; G250-A254 PolarHBondContact O-N 3.15Å
251	L	97.5	Very high	93.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-48	175.7	-61.2	178.1	0	0	0	110.7	F235 P236 P238 Y248 S253 A254 A255 F304 A307 V308 H311	F235-L251 HydrophobicContact CB-CD2 4.04Å; F235-L251 HydrophobicContact CD1-CD2 4.2Å; F235-L251 WeakPolarHBondContact CE1-O 3.15Å; P236-L251 WeakPolarHBondContact O-CD2 3.16Å; P238-L251 HydrophobicContact CG-CD1 3.98Å; P238-L251 HydrophobicContact CG-CD2 3.83Å; P238-L251 HydrophobicContact CG-CG 3.64Å; Y248-L251 PolarHBondContact O-N 3.5Å; Y248-L251 VanDerWaalsContact O-N 3.12Å; L251-S253 VanDerWaalsContact C-N 3.3Å; L251-S253 PolarHBondContact O-N 2.8Å; L251-A254 PolarHBondContact O-N 2.99Å; L251-A255 PolarHBondContact O-N 3.5Å; L251-F304 HydrophobicContact CB-CD2 4.48Å; L251-F304 HydrophobicContact CB-CE2 3.88Å; L251-A307 HydrophobicContact CD2-CB 4.23Å; L251-V308 HydrophobicContact CD1-CB 4.45Å; L251-V308 HydrophobicContact CD1-CG2 3.89Å; L251-H311 HydrophobicContact CD1-CB 4.38Å
252	A	96.4	Very high	93.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-41.2	178.2	0	0	0	0	0	111.4	I190 A195 K198 V199 Y248 S249 A255 V256	I190-A252 HydrophobicContact CD1-CB 4.19Å; A195-A252 HydrophobicContact CB-CB 4.14Å; K198-A252 HydrophobicContact CD-CB 4.39Å; V199-A252 HydrophobicContact CG2-CB 4.29Å; Y248-A252 PolarHBondContact O-N 3.04Å; S249-A252 PolarHBondContact O-N 3.48Å; A252-A255 PolarHBondContact O-N 2.92Å; A252-V256 WeakPolarHBondContact O-CG2 3.45Å; A252-V256 PolarHBondContact O-N 2.85Å
253	S	96.4	Very high	93.4	Very high	46 Å²	46	35 Å²	35	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-66.4	-38.1	177.1	-57.1	0	0	0	0	112.3	S249 L251 V256 R257	S249-S253 VanDerWaalsContact O-CB 3.3Å; S249-S253 WeakPolarHBondContact O-CB 3.23Å; S249-S253 PolarHBondContact O-N 2.72Å; S249-S253 PolarHBondContact O-OG 3.35Å; L251-S253 VanDerWaalsContact C-N 3.3Å; L251-S253 PolarHBondContact O-N 2.8Å; S253-V256 PolarHBondContact O-N 2.8Å; S253-R257 WeakPolarHBondContact O-CG 3.5Å; S253-R257 PolarHBondContact O-N 3.34Å
254	A	97.1	Very high	92.8	Very high	16 Å²	16	39.2 Å²	39.2	13%	0.132	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-42.9	174.2	0	0	0	0	0	111.6	F235 P236 G250 L251 V256 R257 Y258	F235-A254 HydrophobicContact CD1-CB 3.92Å; F235-A254 HydrophobicContact CE1-CB 4.03Å; P236-A254 HydrophobicContact CG-CB 4.25Å; G250-A254 WeakPolarHBondContact O-CB 3.31Å; G250-A254 PolarHBondContact O-N 3.15Å; L251-A254 PolarHBondContact O-N 2.99Å; A254-V256 PolarHBondContact O-N 3.02Å; A254-R257 PolarHBondContact O-N 2.75Å; A254-Y258 WeakPolarHBondContact O-CD2 3.44Å; A254-Y258 PolarHBondContact O-N 3.42Å
255	A	96.8	Very high	91.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-47.5	175	0	0	0	0	0	111.4	V199 F235 L251 A252 R257 Y258 I259 F304	V199-A255 HydrophobicContact CB-CB 4.48Å; V199-A255 HydrophobicContact CG1-CB 3.95Å; V199-A255 HydrophobicContact CG2-CB 3.61Å; F235-A255 HydrophobicContact CE1-CB 3.84Å; F235-A255 HydrophobicContact CZ-CB 3.99Å; L251-A255 PolarHBondContact O-N 3.5Å; A252-A255 PolarHBondContact O-N 2.92Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.34Å; A255-Y258 WeakPolarHBondContact O-CB 3.35Å; A255-Y258 PolarHBondContact O-N 3.06Å; A255-Y258 VanDerWaalsContact O-N 3.12Å; A255-I259 WeakPolarHBondContact O-CG1 3.31Å; A255-I259 PolarHBondContact O-N 3.28Å; A255-I259 VanDerWaalsContact O-N 3.11Å; A255-F304 HydrophobicContact CB-CD2 3.99Å; A255-F304 HydrophobicContact CB-CE2 4.34Å; A255-F304 HydrophobicContact CB-CG 4.42Å
256	V	94	Very high	90.7	Very high	24 Å²	24	45.1 Å²	45.1	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-42	176.5	173	0	0	0	0	111.7	R202 A252 S253 A254 Y258 I259 E260	R202-V256 HydrophobicContact CB-CG2 4.41Å; R202-V256 HydrophobicContact CG-CG1 4.42Å; R202-V256 HydrophobicContact CG-CG2 4.24Å; A252-V256 WeakPolarHBondContact O-CG2 3.45Å; A252-V256 PolarHBondContact O-N 2.85Å; S253-V256 PolarHBondContact O-N 2.8Å; A254-V256 PolarHBondContact O-N 3.02Å; V256-Y258 VanDerWaalsContact C-N 3.35Å; V256-Y258 PolarHBondContact O-N 3.08Å; V256-I259 WeakPolarHBondContact O-CB 3.2Å; V256-I259 PolarHBondContact O-N 3.2Å; V256-E260 HydrophobicContact CG1-CG 4.36Å; V256-E260 WeakPolarHBondContact O-CG 3.17Å; V256-E260 PolarHBondContact O-N 2.81Å
257	R	94.1	Very high	89.1	Confident	179 Å²	179	48.2 Å²	48.2	68%	0.675	27%	0.272	S	S	*	.	H	α-helix	trans	-64.2	-35.9	176.5	-73.1	176.1	-175.9	-166.5	1	113.1	S253 A254 A255 I259 K261	S253-R257 WeakPolarHBondContact O-CG 3.5Å; S253-R257 PolarHBondContact O-N 3.34Å; A254-R257 PolarHBondContact O-N 2.75Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.34Å; R257-I259 VanDerWaalsContact C-N 3.33Å; R257-K261 VanDerWaalsContact O-CB 3.27Å; R257-K261 WeakPolarHBondContact O-CB 3.43Å; R257-K261 PolarHBondContact O-N 3.01Å
258	Y	93.5	Very high	87.2	Confident	63 Å²	63	48 Å²	48	25%	0.247	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-39.9	174.4	-74.7	-55.4	0	0	0	111.9	F233 E234 F235 A254 A255 V256 H262 L300	F233-Y258 HydrophobicContact CB-CD2 4.32Å; F233-Y258 HydrophobicContact CB-CE2 4.05Å; F233-Y258 AromaticContact CD1-CD1 3.61Å; F233-Y258 HydrophobicContact CD1-CD1 3.61Å; F233-Y258 AromaticContact CD1-CD2 3.86Å; F233-Y258 HydrophobicContact CD1-CD2 3.86Å; F233-Y258 AromaticContact CD1-CE1 3.92Å; F233-Y258 HydrophobicContact CD1-CE1 3.92Å; F233-Y258 HydrophobicContact CD1-CE2 4.16Å; F233-Y258 AromaticContact CD1-CG 3.59Å; F233-Y258 HydrophobicContact CD1-CG 3.59Å; F233-Y258 HydrophobicContact CE1-CD1 4.03Å; F233-Y258 HydrophobicContact CE1-CG 4.05Å; F233-Y258 HydrophobicContact CG-CD2 4.45Å; E234-Y258 PolarHBondContact O-OH 3.5Å; F235-Y258 HydrophobicContact CE1-CD2 4.5Å; F235-Y258 HydrophobicContact CE1-CE2 4.46Å; F235-Y258 HydrophobicContact CE2-CE2 4.4Å; F235-Y258 HydrophobicContact CZ-CD2 4.17Å; F235-Y258 HydrophobicContact CZ-CE2 4.27Å; A254-Y258 WeakPolarHBondContact O-CD2 3.44Å; A254-Y258 PolarHBondContact O-N 3.42Å; A255-Y258 WeakPolarHBondContact O-CB 3.35Å; A255-Y258 PolarHBondContact O-N 3.06Å; A255-Y258 VanDerWaalsContact O-N 3.12Å; V256-Y258 VanDerWaalsContact C-N 3.35Å; V256-Y258 PolarHBondContact O-N 3.08Å; Y258-H262 WeakPolarHBondContact O-CB 3.34Å; Y258-H262 PolarHBondContact O-N 3.11Å; Y258-H262 VanDerWaalsContact O-N 3.14Å; Y258-L300 HydrophobicContact CD2-CD1 4.07Å; Y258-L300 HydrophobicContact CG-CD1 4.4Å
259	I	91.3	Very high	85	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-52.4	176.1	-60.2	164.9	0	0	0	109.8	R202 L203 A255 V256 R257 K261 H262 E263 F289 L300	R202-I259 HydrophobicContact CB-CD1 4.08Å; R202-I259 HydrophobicContact CG-CB 4.45Å; R202-I259 HydrophobicContact CG-CD1 3.63Å; R202-I259 HydrophobicContact CG-CG2 4.21Å; R202-I259 VanDerWaalsContact NH1-CG2 3.26Å; L203-I259 HydrophobicContact CD2-CD1 3.59Å; L203-I259 HydrophobicContact CD2-CG1 3.78Å; L203-I259 HydrophobicContact CG-CD1 3.62Å; L203-I259 HydrophobicContact CG-CG1 4.35Å; A255-I259 WeakPolarHBondContact O-CG1 3.31Å; A255-I259 PolarHBondContact O-N 3.28Å; A255-I259 VanDerWaalsContact O-N 3.11Å; V256-I259 WeakPolarHBondContact O-CB 3.2Å; V256-I259 PolarHBondContact O-N 3.2Å; R257-I259 VanDerWaalsContact C-N 3.33Å; I259-K261 PolarHBondContact O-N 2.86Å; I259-H262 PolarHBondContact O-N 3.45Å; I259-E263 WeakPolarHBondContact CG2-OE1 3.43Å; I259-E263 WeakPolarHBondContact O-CG 3.26Å; I259-E263 PolarHBondContact O-N 2.56Å; I259-F289 HydrophobicContact CB-CD2 4.44Å; I259-F289 HydrophobicContact CG2-CB 3.96Å; I259-F289 HydrophobicContact CG2-CD2 4.25Å; I259-F289 HydrophobicContact CG2-CG 4.16Å; I259-L300 HydrophobicContact CD1-CD2 4.02Å; I259-L300 HydrophobicContact CG1-CD2 3.47Å; I259-L300 VanDerWaalsContact CG1-CD2 3.47Å
260	E	89.1	Confident	82.6	Confident	49 Å²	49	53.6 Å²	53.6	23%	0.229	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-44.4	179	-70.8	171.1	168.9	0	0	112.2	V256 H262 E263 L264	V256-E260 HydrophobicContact CG1-CG 4.36Å; V256-E260 WeakPolarHBondContact O-CG 3.17Å; V256-E260 PolarHBondContact O-N 2.81Å; E260-H262 VanDerWaalsContact C-N 3.3Å; E260-H262 PolarHBondContact O-N 2.92Å; E260-E263 PolarHBondContact O-N 2.82Å; E260-L264 VanDerWaalsContact O-CG 3.28Å; E260-L264 WeakPolarHBondContact O-CG 3.5Å; E260-L264 PolarHBondContact O-N 3.49Å
261	K	88.1	Confident	80.5	Confident	145 Å²	145	56.2 Å²	56.2	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-61.6	-38.9	178.9	-177.2	179.3	178.6	-177.3	0	112	R257 I259 V265	R257-K261 VanDerWaalsContact O-CB 3.27Å; R257-K261 WeakPolarHBondContact O-CB 3.43Å; R257-K261 PolarHBondContact O-N 3.01Å; I259-K261 PolarHBondContact O-N 2.86Å; K261-V265 WeakPolarHBondContact O-CG2 3.28Å; K261-V265 PolarHBondContact O-N 2.79Å
262	H	85.2	Confident	77.8	Confident	28 Å²	28	66.5 Å²	66.5	13%	0.13	35%	0.347	C	S	.	.	H	α-helix	trans	-74.1	-41.3	-179	179.5	-98.8	0	0	0	111.6	Y258 I259 E260 L264 V265 S266 F289 E292	Y258-H262 WeakPolarHBondContact O-CB 3.34Å; Y258-H262 PolarHBondContact O-N 3.11Å; Y258-H262 VanDerWaalsContact O-N 3.14Å; I259-H262 PolarHBondContact O-N 3.45Å; E260-H262 VanDerWaalsContact C-N 3.3Å; E260-H262 PolarHBondContact O-N 2.92Å; H262-L264 VanDerWaalsContact C-N 3.33Å; H262-L264 PolarHBondContact O-N 2.86Å; H262-V265 PolarHBondContact O-N 2.99Å; H262-V265 VanDerWaalsContact O-N 3.16Å; H262-S266 PolarHBondContact O-N 3.01Å; H262-S266 PolarHBondContact O-OG 3.36Å; H262-F289 HydrophobicContact CB-CD2 3.6Å; H262-F289 HydrophobicContact CB-CE2 3.52Å; H262-F289 AromaticContact CG-CD2 3.61Å; H262-F289 AromaticContact CG-CE2 3.62Å; H262-F289 AromaticContact ND1-CD2 3.15Å; H262-F289 WeakPolarHBondContact ND1-CD2 3.49Å; H262-F289 AromaticContact ND1-CE2 3.6Å; H262-E292 IonicContact CE1-OE2 2.73Å; H262-E292 PolarHBondContact CE1-OE2 2.81Å
263	E	83.3	Confident	74.8	Confident	9 Å²	9	74.6 Å²	74.6	4%	0.042	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-40.6	174	-70.6	172.5	-179.1	0	0	112.1	R202 I259 E260 V265 S266 G267 A268 F289	R202-E263 IonicContact CZ-OE1 2.84Å; R202-E263 IonicContact CZ-OE2 3.55Å; R202-E263 IonicContact NH1-OE1 3.83Å; R202-E263 PolarHBondContact NH1-OE1 2.99Å; R202-E263 IonicContact NH1-OE2 2.74Å; R202-E263 PolarHBondContact NH1-OE2 2.78Å; R202-E263 IonicContact NH2-OE1 3.65Å; R202-E263 PolarHBondContact NH2-OE1 2.85Å; R202-E263 IonicContact NH2-OE2 2.81Å; R202-E263 PolarHBondContact NH2-OE2 2.57Å; I259-E263 WeakPolarHBondContact CG2-OE1 3.43Å; I259-E263 WeakPolarHBondContact O-CG 3.26Å; I259-E263 PolarHBondContact O-N 2.56Å; E260-E263 PolarHBondContact O-N 2.82Å; E263-V265 VanDerWaalsContact C-N 3.33Å; E263-V265 PolarHBondContact O-N 3.22Å; E263-S266 PolarHBondContact O-N 3.1Å; E263-G267 PolarHBondContact O-N 3.29Å; E263-A268 HydrophobicContact CB-CB 4.02Å; E263-A268 HydrophobicContact CG-CB 4.46Å; E263-A268 WeakPolarHBondContact O-CB 3.29Å; E263-A268 PolarHBondContact O-N 2.82Å; E263-F289 HydrophobicContact CG-CB 4.44Å
264	L	80.8	Confident	71.8	Confident	122 Å²	122	81.4 Å²	81.4	64%	0.639	41%	0.405	S	S	*	.	H	α-helix	trans	-61	-38.8	175.4	-73.4	172.4	0	0	0	113	E260 H262 G267	E260-L264 VanDerWaalsContact O-CG 3.28Å; E260-L264 WeakPolarHBondContact O-CG 3.5Å; E260-L264 PolarHBondContact O-N 3.49Å; H262-L264 VanDerWaalsContact C-N 3.33Å; H262-L264 PolarHBondContact O-N 2.86Å; L264-G267 PolarHBondContact O-N 2.81Å
265	V	75.9	Confident	68.6	Low	117 Å²	117	87.5 Å²	87.5	71%	0.709	44%	0.44	S	S	*	.	H	α-helix	trans	-70.7	-34.1	-179.4	170.2	0	0	0	0	111.6	K261 H262 E263 G267	K261-V265 WeakPolarHBondContact O-CG2 3.28Å; K261-V265 PolarHBondContact O-N 2.79Å; H262-V265 PolarHBondContact O-N 2.99Å; H262-V265 VanDerWaalsContact O-N 3.16Å; E263-V265 VanDerWaalsContact C-N 3.33Å; E263-V265 PolarHBondContact O-N 3.22Å; V265-G267 PolarHBondContact O-N 3.22Å
266	S	70.3	Confident	65.2	Low	55 Å²	55	93.2 Å²	93.2	39%	0.385	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.4	180	-57.3	0	0	0	0	114.1	H262 E263 A268 E292	H262-S266 PolarHBondContact O-N 3.01Å; H262-S266 PolarHBondContact O-OG 3.36Å; E263-S266 PolarHBondContact O-N 3.1Å; S266-A268 PolarHBondContact O-N 2.93Å; S266-E292 WeakPolarHBondContact CB-OE1 3.24Å; S266-E292 WeakPolarHBondContact CB-OE2 3.39Å; S266-E292 PolarHBondContact OG-OE2 3.32Å
267	G	60.3	Low	62	Low	65 Å²	65	100.9 Å²	100.9	67%	0.67	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	14.3	-174.2	0	0	0	0	0	113.4	E263 L264 V265	E263-G267 PolarHBondContact O-N 3.29Å; L264-G267 PolarHBondContact O-N 2.81Å; V265-G267 PolarHBondContact O-N 3.22Å
268	A	56.1	Low	59.1	Low	13 Å²	13	103.4 Å²	103.4	11%	0.107	52%	0.524	C	S	.	.			trans	-69.6	128.1	173.5	0	0	0	0	0	109.9	E263 S266 C270	E263-A268 HydrophobicContact CB-CB 4.02Å; E263-A268 HydrophobicContact CG-CB 4.46Å; E263-A268 WeakPolarHBondContact O-CB 3.29Å; E263-A268 PolarHBondContact O-N 2.82Å; S266-A268 PolarHBondContact O-N 2.93Å; A268-C270 PolarHBondContact O-N 2.89Å
269	V	50.1	Low	56	Low	100 Å²	100	108.2 Å²	108.2	61%	0.606	55%	0.549	S	S	*	.			trans	-65.5	122.9	177.4	-177.3	0	0	0	0	109.1	F271	V269-F271 HydrophobicContact CB-CE2 4.42Å; V269-F271 WeakPolarHBondContact O-CD2 3.43Å; V269-F271 PolarHBondContact O-N 3.37Å
270	C	43.6	Very low	53.2	Low	63 Å²	63	118.7 Å²	118.7	43%	0.426	59%	0.594	S	S	.	*			trans	-67.9	99.9	177.3	-177.9	0	0	0	0	110.4	A268 R272	A268-C270 PolarHBondContact O-N 2.89Å; C270-R272 PolarHBondContact O-N 3.33Å
271	F	50.6	Low	50.4	Low	86 Å²	86	120.9 Å²	120.9	38%	0.377	61%	0.611	S	S	.	*			trans	-78.1	84.2	173.9	-88.7	-97.8	0	0	0	110.4	V269 Y274 N285	V269-F271 HydrophobicContact CB-CE2 4.42Å; V269-F271 WeakPolarHBondContact O-CD2 3.43Å; V269-F271 PolarHBondContact O-N 3.37Å; F271-Y274 AromaticContact CD1-CD2 3.94Å; F271-Y274 HydrophobicContact CD1-CD2 3.94Å; F271-Y274 AromaticContact CE1-CD2 3.66Å; F271-Y274 HydrophobicContact CE1-CD2 3.66Å; F271-Y274 HydrophobicContact CE1-CE2 4.31Å; F271-N285 WeakPolarHBondContact CE2-O 3.49Å
272	R	41.1	Very low	48	Very low	217 Å²	217	118.5 Å²	118.5	82%	0.819	62%	0.619	S	S	*	*			trans	-90.6	-3.4	164.3	-129.4	-173.7	-165.6	-156.5	4.4	113.5	C270	C270-R272 PolarHBondContact O-N 3.33Å
273	Q	32.6	Very low	45.8	Very low	170 Å²	170	123.1 Å²	123.1	79%	0.794	64%	0.644	S	S	*	*			trans	-145.2	72.3	-164.4	-163.4	171.3	0	0	0	111.6
274	Y	33.1	Very low	43.5	Very low	189 Å²	189	127.9 Å²	127.9	74%	0.741	68%	0.675	S	S	*	*			trans	-150.2	94.2	151.3	-93	-77.7	0	0	0	107.7	F271	F271-Y274 AromaticContact CD1-CD2 3.94Å; F271-Y274 HydrophobicContact CD1-CD2 3.94Å; F271-Y274 AromaticContact CE1-CD2 3.66Å; F271-Y274 HydrophobicContact CE1-CD2 3.66Å; F271-Y274 HydrophobicContact CE1-CE2 4.31Å
275	V	29.6	Very low	41.4	Very low	144 Å²	144	127.6 Å²	127.6	87%	0.873	68%	0.675	S	S	*	*			trans	-72.9	133.7	153.3	-178.5	0	0	0	0	105.4	E277	V275-E277 PolarHBondContact O-N 3.09Å
276	C	26.7	Very low	40	Very low	120 Å²	120	125.2 Å²	125.2	81%	0.811	66%	0.657	S	S	*	*			trans	-57.2	129.1	-168.7	-47.4	0	0	0	0	113.5
277	E	27.4	Very low	38.8	Very low	185 Å²	185	123.4 Å²	123.4	86%	0.864	65%	0.647	S	S	*	*			trans	-121.2	107	149	-83.4	-177	173.2	0	0	108.7	V275 E279	V275-E277 PolarHBondContact O-N 3.09Å; E277-E279 PolarHBondContact O-N 3.13Å
278	Y	31.7	Very low	38.5	Very low	232 Å²	232	120.7 Å²	120.7	91%	0.91	62%	0.618	S	S	*	*	S	Bend	trans	31.7	56.4	148.1	-134.2	-91.5	0	0	0	120.4
279	E	28.7	Very low	38.7	Very low	163 Å²	163	120.2 Å²	120.2	76%	0.762	61%	0.614	S	S	*	*			trans	-132.4	118.3	162.2	-76	-171.9	158.3	0	0	112.8	E277 T281	E277-E279 PolarHBondContact O-N 3.13Å; E279-T281 PolarHBondContact O-N 3.15Å; E279-T281 VanDerWaalsContact O-N 3.14Å
280	K	33.2	Very low	39.2	Very low	220 Å²	220	116.7 Å²	116.7	96%	0.957	59%	0.591	S	S	*	*			trans	-75.9	20.6	175	-78.7	-177.8	176.9	174.5	0	113.3
281	T	30.7	Very low	39.9	Very low	96 Å²	96	123.3 Å²	123.3	59%	0.589	61%	0.607	S	S	*	*	S	Bend	trans	-97.7	118.1	172.8	43.8	0	0	0	0	108.3	E279 L283	E279-T281 PolarHBondContact O-N 3.15Å; E279-T281 VanDerWaalsContact O-N 3.14Å; T281-L283 PolarHBondContact O-N 3.1Å
282	A	36.1	Very low	40.4	Very low	95 Å²	95	123.1 Å²	123.1	79%	0.785	61%	0.607	S	S	*	*			trans	-45.1	107.9	175.7	0	0	0	0	0	110	P284	A282-P284 WeakPolarHBondContact O-CD 3.46Å; A282-P284 WeakPolarHBondContact O-CG 3.47Å
283	L	39	Very low	42.1	Very low	125 Å²	125	115.2 Å²	115.2	65%	0.654	58%	0.581	S	S	*	*			trans	-55	109.7	179.4	-85.3	151.2	0	0	0	109	T281 N285	T281-L283 PolarHBondContact O-N 3.1Å; L283-N285 VanDerWaalsContact C-N 3.25Å; L283-N285 PolarHBondContact O-N 3.08Å
284	P	36.4	Very low	44.5	Very low	108 Å²	108	110.3 Å²	110.3	70%	0.701	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-6.4	-168.8	-18.1	32.3	0	0	0	115.1	A282	A282-P284 WeakPolarHBondContact O-CD 3.46Å; A282-P284 WeakPolarHBondContact O-CG 3.47Å
285	N	36.3	Very low	47.3	Very low	117 Å²	117	104 Å²	104	63%	0.626	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	35.9	-166.4	-67.9	-19.8	0	0	0	114.6	F271 L283 G287	F271-N285 WeakPolarHBondContact CE2-O 3.49Å; L283-N285 VanDerWaalsContact C-N 3.25Å; L283-N285 PolarHBondContact O-N 3.08Å; N285-G287 PolarHBondContact O-N 3.41Å
286	L	46.5	Very low	50.2	Low	66 Å²	66	101.1 Å²	101.1	35%	0.346	53%	0.528	S	S	.	.			trans	-75.4	94	176	-145.4	70.5	0	0	0	109.9	C288	L286-C288 VanDerWaalsContact C-N 3.27Å; L286-C288 PolarHBondContact O-N 2.94Å
287	G	45.2	Very low	53.4	Low	17 Å²	17	95.5 Å²	95.5	18%	0.175	49%	0.49	C	S	.	.			trans	-67.6	82.2	174	0	0	0	0	0	110.6	N285	N285-G287 PolarHBondContact O-N 3.41Å
288	C	53.2	Low	56.7	Low	8 Å²	8	89.2 Å²	89.2	5%	0.054	46%	0.46	C	S	.	.			trans	-108.1	125	-165.2	85.3	0	0	0	0	112.6	L286 I290 R291	L286-C288 VanDerWaalsContact C-N 3.27Å; L286-C288 PolarHBondContact O-N 2.94Å; C288-I290 PolarHBondContact O-N 2.98Å; C288-R291 PolarHBondContact O-N 3.2Å; C288-R291 WeakPolarHBondContact SG-CB 3.47Å; C288-R291 WeakPolarHBondContact SG-CG 3.39Å; C288-R291 PolarHBondContact SG-N 3.31Å
289	F	60.7	Low	59.8	Low	4 Å²	4	79.9 Å²	79.9	2%	0.018	43%	0.426	C	S	.	.	H	α-helix	trans	-42.7	-29.6	166.6	-171	-98	0	0	0	113.6	L203 F233 I259 H262 E263 M297 L300	L203-F289 HydrophobicContact CD2-CB 4.37Å; L203-F289 HydrophobicContact CD2-CD1 3.23Å; L203-F289 HydrophobicContact CD2-CE1 3.64Å; L203-F289 HydrophobicContact CD2-CG 4.05Å; F233-F289 HydrophobicContact CZ-CZ 4.42Å; I259-F289 HydrophobicContact CB-CD2 4.44Å; I259-F289 HydrophobicContact CG2-CB 3.96Å; I259-F289 HydrophobicContact CG2-CD2 4.25Å; I259-F289 HydrophobicContact CG2-CG 4.16Å; H262-F289 HydrophobicContact CB-CD2 3.6Å; H262-F289 HydrophobicContact CB-CE2 3.52Å; H262-F289 AromaticContact CG-CD2 3.61Å; H262-F289 AromaticContact CG-CE2 3.62Å; H262-F289 AromaticContact ND1-CD2 3.15Å; H262-F289 WeakPolarHBondContact ND1-CD2 3.49Å; H262-F289 AromaticContact ND1-CE2 3.6Å; E263-F289 HydrophobicContact CG-CB 4.44Å; F289-M297 HydrophobicContact CD1-CB 3.97Å; F289-M297 HydrophobicContact CD1-CG 4.26Å; F289-M297 HydrophobicContact CE1-CB 3.98Å; F289-M297 HydrophobicContact CE1-CG 4.43Å; F289-L300 HydrophobicContact CE1-CB 4.01Å; F289-L300 HydrophobicContact CE1-CD2 3.58Å; F289-L300 HydrophobicContact CE1-CG 4.44Å; F289-L300 HydrophobicContact CE2-CD2 4.47Å; F289-L300 HydrophobicContact CZ-CB 4.02Å; F289-L300 HydrophobicContact CZ-CD2 3.56Å; F289-L300 HydrophobicContact CZ-CG 4.39Å
290	I	61.4	Low	63	Low	26 Å²	26	72.1 Å²	72.1	13%	0.133	39%	0.39	C	S	.	.	H	α-helix	trans	-69.5	-50.3	177.8	-46.8	170.3	0	0	0	112.7	L203 Q204 I208 C288 E292 M297	L203-I290 WeakPolarHBondContact O-CD1 2.97Å; L203-I290 WeakPolarHBondContact O-CG1 3.49Å; Q204-I290 HydrophobicContact CB-CD1 3.98Å; I208-I290 HydrophobicContact CD1-CD1 3.94Å; I208-I290 HydrophobicContact CD1-CG1 4.34Å; I208-I290 HydrophobicContact CD1-CG2 3.58Å; I208-I290 HydrophobicContact CG1-CD1 3.76Å; I208-I290 HydrophobicContact CG1-CG2 3.89Å; C288-I290 PolarHBondContact O-N 2.98Å; I290-E292 VanDerWaalsContact C-N 3.35Å; I290-E292 PolarHBondContact O-N 3.47Å; I290-M297 HydrophobicContact CG2-CE 4.28Å
291	R	58.6	Low	66.1	Low	202 Å²	202	61.7 Å²	61.7	76%	0.762	34%	0.344	S	S	*	.	H	α-helix	trans	-69.9	-36.7	-168.9	-87.3	175.2	177.4	-163.1	-0.2	111.4	C288	C288-R291 PolarHBondContact O-N 3.2Å; C288-R291 WeakPolarHBondContact SG-CB 3.47Å; C288-R291 WeakPolarHBondContact SG-CG 3.39Å; C288-R291 PolarHBondContact SG-N 3.31Å
292	E	60.7	Low	69.3	Low	82 Å²	82	57.1 Å²	57.1	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-78.7	-31.3	-172.3	-63.6	174	174.2	0	0	112.6	H262 S266 I290	H262-E292 IonicContact CE1-OE2 2.73Å; H262-E292 PolarHBondContact CE1-OE2 2.81Å; S266-E292 WeakPolarHBondContact CB-OE1 3.24Å; S266-E292 WeakPolarHBondContact CB-OE2 3.39Å; S266-E292 PolarHBondContact OG-OE2 3.32Å; I290-E292 VanDerWaalsContact C-N 3.35Å; I290-E292 PolarHBondContact O-N 3.47Å
293	N	75.9	Confident	72.3	Confident	51 Å²	51	52.7 Å²	52.7	27%	0.273	28%	0.28	S	S	.	.			trans	-156.3	87.4	-176.2	-159.9	-42.1	0	0	0	113.1	A295 K296 M297	N293-A295 PolarHBondContact O-N 3.12Å; N293-A295 VanDerWaalsContact O-N 3.17Å; N293-A295 WeakPolarHBondContact OD1-CB 3.36Å; N293-A295 PolarHBondContact OD1-N 2.9Å; N293-K296 HydrophobicContact CB-CB 4.02Å; N293-K296 HydrophobicContact CB-CD 4.07Å; N293-K296 HydrophobicContact CB-CG 4.18Å; N293-K296 PolarHBondContact O-N 3.24Å; N293-K296 PolarHBondContact OD1-N 3.27Å; N293-M297 PolarHBondContact O-N 3.06Å; N293-M297 VanDerWaalsContact O-N 3.1Å
294	S	84.1	Confident	75.1	Confident	66 Å²	66	46.7 Å²	46.7	46%	0.462	25%	0.248	S	C	.	.	H	α-helix	trans	-56.4	-31.7	175.7	-178.9	0	0	0	0	113	K298	S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.21Å; S294-K298 PolarHBondContact O-N 3.28Å
295	A	90.7	Very high	78	Confident	57 Å²	57	41.9 Å²	41.9	47%	0.471	22%	0.217	S	C	.	.	H	α-helix	trans	-69.3	-49.7	179.3	0	0	0	0	0	111.3	N293 M297 K298 D299	N293-A295 PolarHBondContact O-N 3.12Å; N293-A295 VanDerWaalsContact O-N 3.17Å; N293-A295 WeakPolarHBondContact OD1-CB 3.36Å; N293-A295 PolarHBondContact OD1-N 2.9Å; A295-M297 PolarHBondContact O-N 2.91Å; A295-K298 WeakPolarHBondContact O-CB 3.33Å; A295-K298 PolarHBondContact O-N 3.22Å; A295-K298 VanDerWaalsContact O-N 3.08Å; A295-D299 VanDerWaalsContact O-CG 3.26Å; A295-D299 PolarHBondContact O-N 3.41Å
296	K	91.8	Very high	81	Confident	83 Å²	83	38.1 Å²	38.1	36%	0.361	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-34.2	176	-73.8	-178.8	-176.9	179.4	0	112.8	N293 D299 L300	N293-K296 HydrophobicContact CB-CB 4.02Å; N293-K296 HydrophobicContact CB-CD 4.07Å; N293-K296 HydrophobicContact CB-CG 4.18Å; N293-K296 PolarHBondContact O-N 3.24Å; N293-K296 PolarHBondContact OD1-N 3.27Å; K296-D299 PolarHBondContact O-N 3.07Å; K296-L300 WeakPolarHBondContact O-CB 3.17Å; K296-L300 PolarHBondContact O-N 3.49Å
297	M	93.4	Very high	83.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-45.5	174.7	178.6	-83	-69.6	0	0	112.3	L203 L205 I208 Y224 F289 I290 N293 A295 L300 C301	L203-M297 HydrophobicContact CD2-CG 4.36Å; L205-M297 HydrophobicContact CD2-CE 4.46Å; L205-M297 HydrophobicContact CD2-CG 4.19Å; L205-M297 HydrophobicContact CD2-SD 3.69Å; I208-M297 HydrophobicContact CD1-CE 3.97Å; Y224-M297 HydrophobicContact CD1-CE 3.53Å; Y224-M297 HydrophobicContact CD1-SD 3.88Å; Y224-M297 HydrophobicContact CE1-CE 3.91Å; Y224-M297 HydrophobicContact CG-CE 4.16Å; Y224-M297 HydrophobicContact CG-SD 3.91Å; F289-M297 HydrophobicContact CD1-CB 3.97Å; F289-M297 HydrophobicContact CD1-CG 4.26Å; F289-M297 HydrophobicContact CE1-CB 3.98Å; F289-M297 HydrophobicContact CE1-CG 4.43Å; I290-M297 HydrophobicContact CG2-CE 4.28Å; N293-M297 PolarHBondContact O-N 3.06Å; N293-M297 VanDerWaalsContact O-N 3.1Å; A295-M297 PolarHBondContact O-N 2.91Å; M297-L300 PolarHBondContact O-N 3.36Å; M297-C301 PolarHBondContact O-N 3.49Å; M297-C301 PolarHBondContact O-SG 3.48Å
298	K	95.6	Very high	86	Confident	53 Å²	53	34.3 Å²	34.3	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-44.3	174.1	-67.2	-176	178.6	-168.9	0	111.7	Y224 D227 S294 A295 L300 C301 A302	Y224-K298 VanDerWaalsContact O-CA 3.27Å; Y224-K298 WeakPolarHBondContact O-CA 3.22Å; Y224-K298 VanDerWaalsContact O-CB 3.22Å; Y224-K298 WeakPolarHBondContact O-CB 3.39Å; Y224-K298 VanDerWaalsContact O-CG 3.24Å; Y224-K298 WeakPolarHBondContact O-CG 3.29Å; D227-K298 HydrophobicContact CB-CD 4.07Å; D227-K298 IonicContact OD2-NZ 3.85Å; D227-K298 PolarHBondContact OD2-NZ 3.06Å; S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.21Å; S294-K298 PolarHBondContact O-N 3.28Å; A295-K298 WeakPolarHBondContact O-CB 3.33Å; A295-K298 PolarHBondContact O-N 3.22Å; A295-K298 VanDerWaalsContact O-N 3.08Å; K298-L300 VanDerWaalsContact C-N 3.35Å; K298-L300 PolarHBondContact O-N 2.82Å; K298-C301 WeakPolarHBondContact O-CB 3.48Å; K298-C301 PolarHBondContact O-N 3.37Å; K298-A302 WeakPolarHBondContact O-CB 3.43Å; K298-A302 PolarHBondContact O-N 3.26Å
299	D	97.1	Very high	88.1	Confident	37 Å²	37	34.9 Å²	34.9	20%	0.198	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-43.1	176	-70.7	-17.2	0	0	0	112.4	G228 D229 A232 F233 A295 K296 A302 S303	G228-D299 WeakPolarHBondContact CA-OD1 3.48Å; D229-D299 PolarHBondContact N-OD1 3.39Å; A232-D299 HydrophobicContact CB-CB 3.65Å; F233-D299 HydrophobicContact CD2-CB 4.33Å; F233-D299 HydrophobicContact CE2-CB 3.89Å; A295-D299 VanDerWaalsContact O-CG 3.26Å; A295-D299 PolarHBondContact O-N 3.41Å; K296-D299 PolarHBondContact O-N 3.07Å; D299-A302 PolarHBondContact O-N 3Å; D299-S303 WeakPolarHBondContact O-CB 3.18Å; D299-S303 PolarHBondContact O-N 2.92Å; D299-S303 PolarHBondContact O-OG 2.85Å
300	L	96.9	Very high	89.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-41.9	176.3	-177.7	63.8	0	0	0	111.4	L203 F233 F235 Y258 I259 F289 K296 M297 K298 F304	L203-L300 HydrophobicContact CD1-CD2 4.48Å; L203-L300 HydrophobicContact CD2-CD2 4.24Å; F233-L300 HydrophobicContact CB-CD1 4.34Å; F233-L300 HydrophobicContact CD1-CD1 4.06Å; F233-L300 HydrophobicContact CD2-CB 4.09Å; F233-L300 HydrophobicContact CD2-CD1 4.06Å; F233-L300 HydrophobicContact CE1-CD1 4.36Å; F233-L300 HydrophobicContact CE2-CB 3.81Å; F233-L300 HydrophobicContact CE2-CD1 4.36Å; F233-L300 HydrophobicContact CG-CD1 3.9Å; F233-L300 HydrophobicContact CZ-CB 4.24Å; F233-L300 HydrophobicContact CZ-CD1 4.5Å; F235-L300 HydrophobicContact CE2-CD1 4.27Å; F235-L300 HydrophobicContact CZ-CD1 3.87Å; Y258-L300 HydrophobicContact CD2-CD1 4.07Å; Y258-L300 HydrophobicContact CG-CD1 4.4Å; I259-L300 HydrophobicContact CD1-CD2 4.02Å; I259-L300 HydrophobicContact CG1-CD2 3.47Å; I259-L300 VanDerWaalsContact CG1-CD2 3.47Å; F289-L300 HydrophobicContact CE1-CB 4.01Å; F289-L300 HydrophobicContact CE1-CD2 3.58Å; F289-L300 HydrophobicContact CE1-CG 4.44Å; F289-L300 HydrophobicContact CE2-CD2 4.47Å; F289-L300 HydrophobicContact CZ-CB 4.02Å; F289-L300 HydrophobicContact CZ-CD2 3.56Å; F289-L300 HydrophobicContact CZ-CG 4.39Å; K296-L300 WeakPolarHBondContact O-CB 3.17Å; K296-L300 PolarHBondContact O-N 3.49Å; M297-L300 PolarHBondContact O-N 3.36Å; K298-L300 VanDerWaalsContact C-N 3.35Å; K298-L300 PolarHBondContact O-N 2.82Å; L300-F304 WeakPolarHBondContact O-CB 3.42Å; L300-F304 PolarHBondContact O-N 3.07Å
301	C	97.5	Very high	91.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-47.4	175.4	-66.6	0	0	0	0	111.1	I221 A225 M297 K298 F304 Q305	I221-C301 HydrophobicContact CD1-CB 4.39Å; I221-C301 HydrophobicContact CG2-CB 4.2Å; A225-C301 HydrophobicContact CB-CB 4.08Å; M297-C301 PolarHBondContact O-N 3.49Å; M297-C301 PolarHBondContact O-SG 3.48Å; K298-C301 WeakPolarHBondContact O-CB 3.48Å; K298-C301 PolarHBondContact O-N 3.37Å; C301-F304 PolarHBondContact O-N 3Å; C301-Q305 VanDerWaalsContact O-CB 3.27Å; C301-Q305 WeakPolarHBondContact O-CB 3.47Å; C301-Q305 PolarHBondContact O-N 2.81Å
302	A	98.3	Very high	93.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-49.7	179.1	0	0	0	0	0	112.3	A225 G228 I230 K298 D299 F304 Q305 H306	A225-A302 HydrophobicContact CB-CB 4.09Å; G228-A302 WeakPolarHBondContact O-CB 3.35Å; I230-A302 HydrophobicContact CG2-CB 4.1Å; K298-A302 WeakPolarHBondContact O-CB 3.43Å; K298-A302 PolarHBondContact O-N 3.26Å; D299-A302 PolarHBondContact O-N 3Å; A302-F304 VanDerWaalsContact C-N 3.34Å; A302-F304 PolarHBondContact O-N 3.21Å; A302-Q305 PolarHBondContact O-N 3.37Å; A302-H306 WeakPolarHBondContact O-CB 3.28Å; A302-H306 PolarHBondContact O-N 3.33Å
303	S	98.5	Very high	95	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-40.7	177.8	-68.2	0	0	0	0	111.9	D229 I230 A232 F233 D299 A307	D229-S303 PolarHBondContact O-OG 3.36Å; I230-S303 PolarHBondContact O-OG 3.41Å; A232-S303 PolarHBondContact N-OG 2.92Å; F233-S303 PolarHBondContact N-OG 3Å; F233-S303 VanDerWaalsContact N-OG 3.1Å; D299-S303 WeakPolarHBondContact O-CB 3.18Å; D299-S303 PolarHBondContact O-N 2.92Å; D299-S303 PolarHBondContact O-OG 2.85Å; S303-A307 VanDerWaalsContact O-CB 3.29Å; S303-A307 WeakPolarHBondContact O-CB 3.39Å; S303-A307 PolarHBondContact O-N 3.15Å
304	F	98.3	Very high	95.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.8	-47.6	176.8	178.2	-115.2	0	0	0	112.1	A195 F196 V199 I221 F235 L251 A255 L300 C301 A302 H306 A307 V308	A195-F304 HydrophobicContact CB-CZ 4.2Å; F196-F304 AromaticContact CD1-CD1 3.99Å; F196-F304 HydrophobicContact CD1-CD1 3.99Å; F196-F304 AromaticContact CD1-CE1 3.54Å; F196-F304 HydrophobicContact CD1-CE1 3.54Å; F196-F304 HydrophobicContact CE1-CD1 4.01Å; F196-F304 AromaticContact CE1-CE1 3.84Å; F196-F304 HydrophobicContact CE1-CE1 3.84Å; F196-F304 HydrophobicContact CG-CE1 4.31Å; V199-F304 HydrophobicContact CB-CD1 4.23Å; V199-F304 HydrophobicContact CB-CE1 3.91Å; V199-F304 HydrophobicContact CB-CZ 4.31Å; V199-F304 HydrophobicContact CG1-CD1 4.13Å; V199-F304 HydrophobicContact CG1-CE1 4.32Å; V199-F304 HydrophobicContact CG2-CD1 4.22Å; V199-F304 HydrophobicContact CG2-CD2 4.49Å; V199-F304 HydrophobicContact CG2-CE1 3.71Å; V199-F304 HydrophobicContact CG2-CE2 4Å; V199-F304 HydrophobicContact CG2-CZ 3.59Å; I221-F304 HydrophobicContact CG2-CD1 4.37Å; F235-F304 HydrophobicContact CD1-CD2 4.36Å; F235-F304 HydrophobicContact CE1-CB 4.38Å; F235-F304 AromaticContact CE1-CD2 3.68Å; F235-F304 HydrophobicContact CE1-CD2 3.68Å; F235-F304 HydrophobicContact CE2-CB 4.12Å; F235-F304 HydrophobicContact CZ-CB 3.75Å; F235-F304 AromaticContact CZ-CD2 3.94Å; F235-F304 HydrophobicContact CZ-CD2 3.94Å; F235-F304 HydrophobicContact CZ-CG 4.32Å; L251-F304 HydrophobicContact CB-CD2 4.48Å; L251-F304 HydrophobicContact CB-CE2 3.88Å; A255-F304 HydrophobicContact CB-CD2 3.99Å; A255-F304 HydrophobicContact CB-CE2 4.34Å; A255-F304 HydrophobicContact CB-CG 4.42Å; L300-F304 WeakPolarHBondContact O-CB 3.42Å; L300-F304 PolarHBondContact O-N 3.07Å; C301-F304 PolarHBondContact O-N 3Å; A302-F304 VanDerWaalsContact C-N 3.34Å; A302-F304 PolarHBondContact O-N 3.21Å; F304-H306 VanDerWaalsContact C-N 3.31Å; F304-H306 PolarHBondContact O-N 3.27Å; F304-A307 WeakPolarHBondContact O-CB 3.31Å; F304-A307 PolarHBondContact O-N 3.04Å; F304-A307 VanDerWaalsContact O-N 3.15Å; F304-V308 HydrophobicContact CD2-CG2 4.33Å; F304-V308 HydrophobicContact CE1-CG2 4.29Å; F304-V308 HydrophobicContact CE2-CG2 3.91Å; F304-V308 HydrophobicContact CZ-CG2 3.89Å; F304-V308 WeakPolarHBondContact O-CG2 3.46Å; F304-V308 PolarHBondContact O-N 3Å
305	Q	98.4	Very high	96.5	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.033	11%	0.111	C	C	.	.	H	α-helix	trans	-56.3	-47	175.6	-177	-174	49.1	0	0	111.1	F196 I221 C301 A302 V308 F309 N346 Y348 F349	F196-Q305 HydrophobicContact CE1-CB 4.37Å; I221-Q305 HydrophobicContact CG2-CB 4.22Å; C301-Q305 VanDerWaalsContact O-CB 3.27Å; C301-Q305 WeakPolarHBondContact O-CB 3.47Å; C301-Q305 PolarHBondContact O-N 2.81Å; A302-Q305 PolarHBondContact O-N 3.37Å; Q305-V308 PolarHBondContact O-N 3.22Å; Q305-F309 PolarHBondContact O-N 3.34Å; Q305-N346 PolarHBondContact NE2-ND2 3.11Å; Q305-N346 PolarHBondContact NE2-OD1 3.36Å; Q305-Y348 HydrophobicContact CG-CD1 4.09Å; Q305-Y348 HydrophobicContact CG-CG 4.28Å; Q305-F349 HydrophobicContact CG-CD2 4.45Å; Q305-F349 HydrophobicContact CG-CE2 3.88Å
306	H	98.2	Very high	96.8	Very high	38 Å²	38	19.7 Å²	19.7	18%	0.176	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-43.2	176.1	179.5	65.5	0	0	0	111.9	I230 A302 F304 V308 F309 R310 Y348	I230-H306 HydrophobicContact CB-CB 3.86Å; I230-H306 HydrophobicContact CG2-CB 4.05Å; A302-H306 WeakPolarHBondContact O-CB 3.28Å; A302-H306 PolarHBondContact O-N 3.33Å; F304-H306 VanDerWaalsContact C-N 3.31Å; F304-H306 PolarHBondContact O-N 3.27Å; H306-V308 PolarHBondContact O-N 3Å; H306-F309 PolarHBondContact O-N 2.89Å; H306-R310 WeakPolarHBondContact O-CB 3.48Å; H306-R310 PolarHBondContact O-N 3.12Å; H306-Y348 HydrophobicContact CB-CE1 4.46Å; H306-Y348 AromaticContact ND1-CZ 3.8Å; H306-Y348 PolarHBondContact ND1-OH 3.22Å
307	A	98.1	Very high	97.1	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-42.4	179.1	0	0	0	0	0	112.8	F235 L251 S303 F304 H311	F235-A307 HydrophobicContact CB-CB 3.39Å; F235-A307 HydrophobicContact CD1-CB 4.22Å; F235-A307 HydrophobicContact CD2-CB 3.86Å; F235-A307 HydrophobicContact CG-CB 3.55Å; L251-A307 HydrophobicContact CD2-CB 4.23Å; S303-A307 VanDerWaalsContact O-CB 3.29Å; S303-A307 WeakPolarHBondContact O-CB 3.39Å; S303-A307 PolarHBondContact O-N 3.15Å; F304-A307 WeakPolarHBondContact O-CB 3.31Å; F304-A307 PolarHBondContact O-N 3.04Å; F304-A307 VanDerWaalsContact O-N 3.15Å; A307-H311 PolarHBondContact O-N 3.49Å
308	V	97.8	Very high	97.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64	-48.5	175.1	177.3	0	0	0	0	110.4	P192 F196 Y248 L251 F304 Q305 H306 R310 H311 I312 F349	P192-V308 HydrophobicContact CB-CG1 4.26Å; F196-V308 HydrophobicContact CE1-CG2 4.49Å; F196-V308 HydrophobicContact CE2-CG1 4.07Å; F196-V308 HydrophobicContact CZ-CB 4.05Å; F196-V308 HydrophobicContact CZ-CG1 4Å; F196-V308 HydrophobicContact CZ-CG2 4.22Å; Y248-V308 HydrophobicContact CD1-CG1 3.94Å; Y248-V308 HydrophobicContact CE1-CG1 3.89Å; L251-V308 HydrophobicContact CD1-CB 4.45Å; L251-V308 HydrophobicContact CD1-CG2 3.89Å; F304-V308 HydrophobicContact CD2-CG2 4.33Å; F304-V308 HydrophobicContact CE1-CG2 4.29Å; F304-V308 HydrophobicContact CE2-CG2 3.91Å; F304-V308 HydrophobicContact CZ-CG2 3.89Å; F304-V308 WeakPolarHBondContact O-CG2 3.46Å; F304-V308 PolarHBondContact O-N 3Å; Q305-V308 PolarHBondContact O-N 3.22Å; H306-V308 PolarHBondContact O-N 3Å; V308-R310 PolarHBondContact O-N 3.3Å; V308-H311 PolarHBondContact O-N 2.74Å; V308-I312 HydrophobicContact CG1-CD1 3.95Å; V308-I312 WeakPolarHBondContact O-CG1 3.48Å; V308-I312 PolarHBondContact O-N 3.01Å; V308-I312 VanDerWaalsContact O-N 3.1Å; V308-F349 HydrophobicContact CB-CZ 4.17Å; V308-F349 HydrophobicContact CG1-CE1 4.3Å; V308-F349 HydrophobicContact CG1-CZ 3.77Å
309	F	97.8	Very high	97.2	Very high	19 Å²	19	21.2 Å²	21.2	8%	0.083	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-48	177.2	175.4	-101.5	0	0	0	111.8	Q305 H306 H311 I312 A313 Y348 F349 F353 V356	Q305-F309 PolarHBondContact O-N 3.34Å; H306-F309 PolarHBondContact O-N 2.89Å; F309-H311 VanDerWaalsContact C-N 3.28Å; F309-H311 PolarHBondContact O-N 3.4Å; F309-I312 PolarHBondContact O-N 3.47Å; F309-I312 VanDerWaalsContact O-N 3.08Å; F309-A313 HydrophobicContact CE1-CB 4.08Å; F309-A313 HydrophobicContact CZ-CB 4Å; F309-A313 WeakPolarHBondContact O-CB 3.22Å; F309-A313 PolarHBondContact O-N 3.02Å; F309-Y348 HydrophobicContact CB-CD1 4.23Å; F309-Y348 HydrophobicContact CB-CE1 3.94Å; F309-Y348 HydrophobicContact CD1-CE1 4.01Å; F309-Y348 HydrophobicContact CG-CD1 4.35Å; F309-Y348 HydrophobicContact CG-CE1 4.03Å; F309-F349 HydrophobicContact CB-CD2 4.1Å; F309-F349 HydrophobicContact CB-CE1 4.5Å; F309-F349 HydrophobicContact CB-CE2 3.76Å; F309-F349 HydrophobicContact CB-CZ 3.98Å; F309-F349 HydrophobicContact CD2-CB 4.26Å; F309-F349 HydrophobicContact CD2-CD1 4.16Å; F309-F349 HydrophobicContact CD2-CD2 4.2Å; F309-F349 AromaticContact CD2-CG 3.94Å; F309-F349 HydrophobicContact CD2-CG 3.94Å; F309-F353 HydrophobicContact CD2-CZ 4.46Å; F309-F353 HydrophobicContact CE2-CD1 4.05Å; F309-F353 AromaticContact CE2-CE1 3.95Å; F309-F353 HydrophobicContact CE2-CE1 3.95Å; F309-F353 HydrophobicContact CE2-CE2 4.44Å; F309-F353 HydrophobicContact CE2-CG 4.31Å; F309-F353 HydrophobicContact CE2-CZ 4.14Å; F309-V356 HydrophobicContact CZ-CG2 4.45Å
310	R	96.5	Very high	97.2	Very high	57 Å²	57	19.7 Å²	19.7	22%	0.215	9%	0.088	C	C	.	.	H	α-helix	trans	-56.3	-41.3	178.4	-177.8	-178	71.4	177.5	3.4	111.8	F235 H306 V308 K314	F235-R310 PolarHBondContact O-NH2 3.46Å; H306-R310 WeakPolarHBondContact O-CB 3.48Å; H306-R310 PolarHBondContact O-N 3.12Å; V308-R310 PolarHBondContact O-N 3.3Å; R310-K314 WeakPolarHBondContact O-CG 3.34Å; R310-K314 PolarHBondContact O-N 2.89Å; R310-K314 VanDerWaalsContact O-N 3.1Å
311	H	96.3	Very high	97.1	Very high	7 Å²	7	22.7 Å²	22.7	3%	0.032	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-47.3	175.5	-178.6	53.4	0	0	0	111.6	S247 Y248 L251 A307 V308 F309 K314 K315	S247-H311 PolarHBondContact N-NE2 3.39Å; S247-H311 PolarHBondContact O-CD2 2.94Å; S247-H311 VanDerWaalsContact O-CD2 3.24Å; S247-H311 PolarHBondContact O-NE2 2.71Å; Y248-H311 AromaticContact CE1-CD2 3.99Å; L251-H311 HydrophobicContact CD1-CB 4.38Å; A307-H311 PolarHBondContact O-N 3.49Å; V308-H311 PolarHBondContact O-N 2.74Å; F309-H311 VanDerWaalsContact C-N 3.28Å; F309-H311 PolarHBondContact O-N 3.4Å; H311-K314 PolarHBondContact O-N 2.91Å; H311-K315 WeakPolarHBondContact O-CG 3.4Å; H311-K315 PolarHBondContact O-N 2.96Å
312	I	96.7	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-48.5	178.4	-67.3	163.2	0	0	0	111.1	L163 L165 F246 Y248 V308 F309 K314 K315 L316 F349 F353	L163-I312 HydrophobicContact CD1-CG2 4.5Å; L163-I312 HydrophobicContact CD2-CG2 3.81Å; L165-I312 HydrophobicContact CD1-CD1 4.15Å; L165-I312 HydrophobicContact CD1-CG2 4.18Å; L165-I312 HydrophobicContact CD2-CD1 4.03Å; L165-I312 HydrophobicContact CD2-CG1 4.47Å; L165-I312 HydrophobicContact CD2-CG2 4.43Å; F246-I312 HydrophobicContact CD1-CG1 4.33Å; F246-I312 HydrophobicContact CE1-CB 4.45Å; F246-I312 HydrophobicContact CE1-CG1 4.33Å; F246-I312 HydrophobicContact CE1-CG2 4.27Å; Y248-I312 HydrophobicContact CE1-CD1 3.98Å; Y248-I312 HydrophobicContact CE1-CG1 3.87Å; Y248-I312 WeakPolarHBondContact OH-CG1 3.41Å; V308-I312 HydrophobicContact CG1-CD1 3.95Å; V308-I312 WeakPolarHBondContact O-CG1 3.48Å; V308-I312 PolarHBondContact O-N 3.01Å; V308-I312 VanDerWaalsContact O-N 3.1Å; F309-I312 PolarHBondContact O-N 3.47Å; F309-I312 VanDerWaalsContact O-N 3.08Å; I312-K314 VanDerWaalsContact C-N 3.32Å; I312-K314 PolarHBondContact O-N 3.24Å; I312-K315 PolarHBondContact O-N 2.88Å; I312-K315 VanDerWaalsContact O-N 3.08Å; I312-L316 WeakPolarHBondContact O-CB 3.04Å; I312-L316 PolarHBondContact O-N 3.35Å; I312-F349 HydrophobicContact CD1-CD1 4.42Å; I312-F349 HydrophobicContact CD1-CE1 3.58Å; I312-F349 HydrophobicContact CD1-CZ 4.34Å; I312-F353 HydrophobicContact CG2-CE1 3.95Å; I312-F353 HydrophobicContact CG2-CZ 3.84Å
313	A	97	Very high	96.8	Very high	9 Å²	9	26.9 Å²	26.9	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-41.6	179.6	0	0	0	0	0	111.9	F309 K315 L316 L317 V356	F309-A313 HydrophobicContact CE1-CB 4.08Å; F309-A313 HydrophobicContact CZ-CB 4Å; F309-A313 WeakPolarHBondContact O-CB 3.22Å; F309-A313 PolarHBondContact O-N 3.02Å; A313-K315 VanDerWaalsContact C-N 3.33Å; A313-K315 PolarHBondContact O-N 3.34Å; A313-L316 PolarHBondContact O-N 2.87Å; A313-L317 WeakPolarHBondContact O-CB 3.39Å; A313-L317 VanDerWaalsContact O-CG 3.28Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.42Å; A313-V356 HydrophobicContact CB-CG2 4.23Å
314	K	95.6	Very high	96.6	Very high	92 Å²	92	32.4 Å²	32.4	40%	0.4	15%	0.154	S	C	.	.	H	α-helix	trans	-62.3	-37.9	175.6	-78.1	-174	177.9	-165.2	0	113	Y237 R310 H311 I312 R318	Y237-K314 HydrophobicContact CD1-CD 4.39Å; Y237-K314 HydrophobicContact CE1-CD 4.05Å; Y237-K314 PolarHBondContact OH-NZ 3.25Å; Y237-K314 VanDerWaalsContact OH-NZ 3.16Å; R310-K314 WeakPolarHBondContact O-CG 3.34Å; R310-K314 PolarHBondContact O-N 2.89Å; R310-K314 VanDerWaalsContact O-N 3.1Å; H311-K314 PolarHBondContact O-N 2.91Å; I312-K314 VanDerWaalsContact C-N 3.32Å; I312-K314 PolarHBondContact O-N 3.24Å; K314-R318 PolarHBondContact O-N 3.41Å
315	K	96.1	Very high	96.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-72.9	-39.5	177.7	-65.4	-70.4	175.7	165.9	0	111.4	D243 N245 F246 H311 I312 A313 R318 A319	D243-K315 WeakPolarHBondContact O-CD 3.3Å; D243-K315 PolarHBondContact O-NZ 3.08Å; D243-K315 IonicContact OD1-NZ 3.47Å; D243-K315 PolarHBondContact OD1-NZ 3.41Å; N245-K315 VanDerWaalsContact O-CD 3.24Å; N245-K315 WeakPolarHBondContact O-CD 3.43Å; N245-K315 WeakPolarHBondContact O-CE 3.37Å; N245-K315 PolarHBondContact O-NZ 3.26Å; F246-K315 HydrophobicContact CD1-CB 4.01Å; F246-K315 HydrophobicContact CD1-CG 3.96Å; F246-K315 HydrophobicContact CE1-CB 3.48Å; F246-K315 VanDerWaalsContact CE1-CB 3.48Å; F246-K315 HydrophobicContact CE1-CG 3.97Å; F246-K315 HydrophobicContact CZ-CB 4.07Å; H311-K315 WeakPolarHBondContact O-CG 3.4Å; H311-K315 PolarHBondContact O-N 2.96Å; I312-K315 PolarHBondContact O-N 2.88Å; I312-K315 VanDerWaalsContact O-N 3.08Å; A313-K315 VanDerWaalsContact C-N 3.33Å; A313-K315 PolarHBondContact O-N 3.34Å; K315-R318 PolarHBondContact O-N 3.03Å; K315-A319 PolarHBondContact O-N 3.32Å
316	L	97.3	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-49	173.5	178.9	60.8	0	0	0	112.1	L161 L163 L172 I312 A313 R318 A319 M320 L337 F353 V356	L161-L316 HydrophobicContact CD2-CD1 3.81Å; L163-L316 HydrophobicContact CD2-CD1 4.49Å; L163-L316 HydrophobicContact CD2-CD2 4.2Å; L172-L316 HydrophobicContact CD1-CD1 4.03Å; I312-L316 WeakPolarHBondContact O-CB 3.04Å; I312-L316 PolarHBondContact O-N 3.35Å; A313-L316 PolarHBondContact O-N 2.87Å; L316-R318 PolarHBondContact O-N 2.89Å; L316-A319 WeakPolarHBondContact O-CB 3.47Å; L316-A319 PolarHBondContact O-N 3.08Å; L316-A319 VanDerWaalsContact O-N 3.08Å; L316-M320 HydrophobicContact CD1-CE 4.05Å; L316-M320 HydrophobicContact CD2-CE 4.18Å; L316-M320 HydrophobicContact CG-CE 3.96Å; L316-M320 HydrophobicContact CG-SD 4.37Å; L316-M320 WeakPolarHBondContact O-CG 3.4Å; L316-M320 PolarHBondContact O-N 3.3Å; L316-L337 HydrophobicContact CD1-CD1 3.89Å; L316-L337 HydrophobicContact CD1-CD2 4.07Å; L316-L337 HydrophobicContact CD2-CD2 3.61Å; L316-L337 HydrophobicContact CG-CD2 4.41Å; L316-F353 HydrophobicContact CD2-CD1 3.81Å; L316-F353 HydrophobicContact CD2-CE1 3.93Å; L316-V356 HydrophobicContact CD2-CG1 3.95Å; L316-V356 HydrophobicContact CG-CG1 4.48Å
317	L	96.9	Very high	95.8	Very high	67 Å²	67	45.4 Å²	45.4	35%	0.351	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-37.6	176.5	-73.4	170	0	0	0	112.1	A313 M320 A321 V356 N360	A313-L317 WeakPolarHBondContact O-CB 3.39Å; A313-L317 VanDerWaalsContact O-CG 3.28Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.42Å; L317-M320 HydrophobicContact CD2-SD 4.45Å; L317-M320 PolarHBondContact O-N 3.42Å; L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 3.07Å; L317-V356 HydrophobicContact CD2-CG1 3.93Å; L317-V356 HydrophobicContact CG-CG1 4.32Å; L317-N360 WeakPolarHBondContact CD2-ND2 3.32Å
318	R	95.6	Very high	95.4	Very high	104 Å²	104	47.7 Å²	47.7	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-65.6	-41.6	175	178.3	159.3	-77.2	116.6	3.9	112.1	K314 K315 L316 A321 Y322	K314-R318 PolarHBondContact O-N 3.41Å; K315-R318 PolarHBondContact O-N 3.03Å; L316-R318 PolarHBondContact O-N 2.89Å; R318-A321 PolarHBondContact O-N 3.45Å; R318-Y322 PolarHBondContact O-N 3.22Å
319	A	96.6	Very high	94.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-47.1	172.6	0	0	0	0	0	111.3	L172 L184 K315 L316 A321 Y322 L323	L172-A319 HydrophobicContact CD2-CB 3.43Å; L172-A319 VanDerWaalsContact CD2-CB 3.43Å; L172-A319 HydrophobicContact CG-CB 4.16Å; L184-A319 HydrophobicContact CD1-CB 3.69Å; K315-A319 PolarHBondContact O-N 3.32Å; L316-A319 WeakPolarHBondContact O-CB 3.47Å; L316-A319 PolarHBondContact O-N 3.08Å; L316-A319 VanDerWaalsContact O-N 3.08Å; A319-A321 VanDerWaalsContact C-N 3.3Å; A319-A321 PolarHBondContact O-N 3.37Å; A319-Y322 WeakPolarHBondContact O-CB 3.3Å; A319-Y322 PolarHBondContact O-N 2.99Å; A319-Y322 VanDerWaalsContact O-N 3.09Å; A319-L323 VanDerWaalsContact O-CG 3.29Å; A319-L323 WeakPolarHBondContact O-CG 3.35Å; A319-L323 PolarHBondContact O-N 2.95Å
320	M	96.4	Very high	93.9	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-43.1	177.4	-68.5	176.3	166.3	0	0	112.1	L161 L316 L317 L323 Q324 L337 V356 N360 Y362	L161-M320 HydrophobicContact CD2-CG 4.16Å; L316-M320 HydrophobicContact CD1-CE 4.05Å; L316-M320 HydrophobicContact CD2-CE 4.18Å; L316-M320 HydrophobicContact CG-CE 3.96Å; L316-M320 HydrophobicContact CG-SD 4.37Å; L316-M320 WeakPolarHBondContact O-CG 3.4Å; L316-M320 PolarHBondContact O-N 3.3Å; L317-M320 HydrophobicContact CD2-SD 4.45Å; L317-M320 PolarHBondContact O-N 3.42Å; M320-L323 PolarHBondContact O-N 3.02Å; M320-Q324 WeakPolarHBondContact O-CB 3.34Å; M320-Q324 PolarHBondContact O-N 3.48Å; M320-L337 HydrophobicContact CE-CD2 4.07Å; M320-V356 HydrophobicContact CE-CG1 4.27Å; M320-V356 HydrophobicContact SD-CG1 4.25Å; M320-N360 HydrophobicContact SD-CB 3.9Å; M320-Y362 HydrophobicContact CB-CE2 4.08Å; M320-Y362 HydrophobicContact CE-CD1 4.01Å; M320-Y362 HydrophobicContact CE-CD2 3.8Å; M320-Y362 HydrophobicContact CE-CE1 4.25Å; M320-Y362 HydrophobicContact CE-CE2 4.07Å; M320-Y362 HydrophobicContact CE-CG 3.78Å; M320-Y362 HydrophobicContact CG-CD2 4.4Å; M320-Y362 HydrophobicContact CG-CE1 4.33Å; M320-Y362 HydrophobicContact CG-CE2 3.73Å; M320-Y362 HydrophobicContact SD-CD2 4.01Å; M320-Y362 HydrophobicContact SD-CE2 3.9Å
321	A	95.2	Very high	92.7	Very high	62 Å²	62	54.2 Å²	54.2	51%	0.512	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-42.9	175.1	0	0	0	0	0	112.4	L317 R318 A319 Q324 E325	L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 3.07Å; R318-A321 PolarHBondContact O-N 3.45Å; A319-A321 VanDerWaalsContact C-N 3.3Å; A319-A321 PolarHBondContact O-N 3.37Å; A321-Q324 PolarHBondContact O-N 3.22Å; A321-E325 PolarHBondContact O-N 2.89Å
322	Y	95.1	Very high	91.5	Very high	88 Å²	88	59.6 Å²	59.6	35%	0.345	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.3	172	-96.9	0	0	0	112.1	L184 R318 A319 Q324 E325 K326	L184-Y322 HydrophobicContact CD2-CD1 3.98Å; L184-Y322 HydrophobicContact CD2-CE1 3.84Å; R318-Y322 PolarHBondContact O-N 3.22Å; A319-Y322 WeakPolarHBondContact O-CB 3.3Å; A319-Y322 PolarHBondContact O-N 2.99Å; A319-Y322 VanDerWaalsContact O-N 3.09Å; Y322-Q324 VanDerWaalsContact C-N 3.33Å; Y322-Q324 PolarHBondContact O-N 3.14Å; Y322-E325 PolarHBondContact O-N 3.29Å; Y322-K326 HydrophobicContact CD1-CG 4.49Å; Y322-K326 HydrophobicContact CD2-CG 4.14Å; Y322-K326 HydrophobicContact CE1-CG 4.08Å; Y322-K326 HydrophobicContact CE2-CD 4.38Å; Y322-K326 HydrophobicContact CE2-CG 3.71Å; Y322-K326 WeakPolarHBondContact O-CB 3.42Å; Y322-K326 WeakPolarHBondContact O-CG 3.41Å; Y322-K326 PolarHBondContact O-N 3.16Å
323	L	94.5	Very high	90.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-36.6	179.3	-63	176.6	0	0	0	112.3	L161 V174 L184 A319 M320 A327 I328 F329	L161-L323 HydrophobicContact CB-CD1 4.34Å; L161-L323 HydrophobicContact CD1-CD1 3.97Å; L161-L323 HydrophobicContact CD2-CD1 3.96Å; L161-L323 HydrophobicContact CG-CD1 4.32Å; V174-L323 HydrophobicContact CG2-CD1 4.1Å; V174-L323 HydrophobicContact CG2-CD2 3.44Å; V174-L323 VanDerWaalsContact CG2-CD2 3.44Å; V174-L323 HydrophobicContact CG2-CG 4.4Å; L184-L323 HydrophobicContact CD1-CD1 4.45Å; L184-L323 HydrophobicContact CD1-CD2 4.27Å; L184-L323 HydrophobicContact CD1-CG 4.46Å; A319-L323 VanDerWaalsContact O-CG 3.29Å; A319-L323 WeakPolarHBondContact O-CG 3.35Å; A319-L323 PolarHBondContact O-N 2.95Å; M320-L323 PolarHBondContact O-N 3.02Å; L323-A327 PolarHBondContact O-N 3.38Å; L323-A327 VanDerWaalsContact O-N 3.1Å; L323-I328 HydrophobicContact CB-CB 4.49Å; L323-I328 HydrophobicContact CD2-CB 3.99Å; L323-I328 HydrophobicContact CD2-CG1 3.76Å; L323-I328 HydrophobicContact CD2-CG2 4.17Å; L323-I328 PolarHBondContact O-N 3.2Å; L323-I328 VanDerWaalsContact O-N 3.13Å; L323-F329 HydrophobicContact CB-CD2 4.27Å; L323-F329 HydrophobicContact CB-CE2 4.02Å; L323-F329 HydrophobicContact CD1-CE2 3.62Å; L323-F329 HydrophobicContact CD1-CZ 4.13Å; L323-F329 HydrophobicContact CG-CE2 4.4Å
324	Q	93.3	Very high	90.2	Very high	118 Å²	118	67.9 Å²	67.9	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-63.2	-48.5	172.7	-177.5	65.7	32	0	0	111.1	M320 A321 Y322 K326 A327	M320-Q324 WeakPolarHBondContact O-CB 3.34Å; M320-Q324 PolarHBondContact O-N 3.48Å; A321-Q324 PolarHBondContact O-N 3.22Å; Y322-Q324 VanDerWaalsContact C-N 3.33Å; Y322-Q324 PolarHBondContact O-N 3.14Å; Q324-K326 VanDerWaalsContact C-N 3.31Å; Q324-K326 PolarHBondContact O-N 3.27Å; Q324-A327 PolarHBondContact O-N 3.2Å
325	E	93.7	Very high	90.1	Very high	140 Å²	140	66.1 Å²	66.1	65%	0.654	37%	0.371	S	S	*	.	H	α-helix	trans	-61.6	-39.4	178.9	-170.7	-158.1	124.1	0	0	111.9	A321 Y322 A327	A321-E325 PolarHBondContact O-N 2.89Å; Y322-E325 PolarHBondContact O-N 3.29Å; E325-A327 VanDerWaalsContact C-N 3.28Å; E325-A327 PolarHBondContact O-N 2.99Å
326	K	93.4	Very high	90.1	Very high	101 Å²	101	66.2 Å²	66.2	44%	0.439	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.3	179.8	-64.7	-51.3	179.8	-141.3	0	114.3	Y322 Q324 I328	Y322-K326 HydrophobicContact CD1-CG 4.49Å; Y322-K326 HydrophobicContact CD2-CG 4.14Å; Y322-K326 HydrophobicContact CE1-CG 4.08Å; Y322-K326 HydrophobicContact CE2-CD 4.38Å; Y322-K326 HydrophobicContact CE2-CG 3.71Å; Y322-K326 WeakPolarHBondContact O-CB 3.42Å; Y322-K326 WeakPolarHBondContact O-CG 3.41Å; Y322-K326 PolarHBondContact O-N 3.16Å; Q324-K326 VanDerWaalsContact C-N 3.31Å; Q324-K326 PolarHBondContact O-N 3.27Å; K326-I328 HydrophobicContact CB-CD1 4.03Å; K326-I328 HydrophobicContact CB-CG1 3.77Å; K326-I328 PolarHBondContact O-N 3.19Å; K326-I328 VanDerWaalsContact O-N 3.15Å
327	A	91.5	Very high	90.1	Very high	77 Å²	77	66.2 Å²	66.2	64%	0.636	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	41.3	-176.7	0	0	0	0	0	112.6	L323 Q324 E325 F329	L323-A327 PolarHBondContact O-N 3.38Å; L323-A327 VanDerWaalsContact O-N 3.1Å; Q324-A327 PolarHBondContact O-N 3.2Å; E325-A327 VanDerWaalsContact C-N 3.28Å; E325-A327 PolarHBondContact O-N 2.99Å; A327-F329 VanDerWaalsContact C-N 3.33Å
328	I	89.7	Confident	90.1	Very high	51 Å²	51	63 Å²	63	26%	0.262	36%	0.355	S	S	.	.			trans	-66.6	-38.3	-177.6	-64.4	-64.9	0	0	0	110.8	P159 V174 L323 K326	P159-I328 HydrophobicContact CB-CG2 4.46Å; P159-I328 HydrophobicContact CG-CG2 4.12Å; V174-I328 HydrophobicContact CG1-CG2 4.15Å; L323-I328 HydrophobicContact CB-CB 4.49Å; L323-I328 HydrophobicContact CD2-CB 3.99Å; L323-I328 HydrophobicContact CD2-CG1 3.76Å; L323-I328 HydrophobicContact CD2-CG2 4.17Å; L323-I328 PolarHBondContact O-N 3.2Å; L323-I328 VanDerWaalsContact O-N 3.13Å; K326-I328 HydrophobicContact CB-CD1 4.03Å; K326-I328 HydrophobicContact CB-CG1 3.77Å; K326-I328 PolarHBondContact O-N 3.19Å; K326-I328 VanDerWaalsContact O-N 3.15Å
329	F	86.4	Confident	90.1	Very high	20 Å²	20	58.1 Å²	58.1	9%	0.088	34%	0.337	C	S	.	.	S	Bend	trans	-83.6	138.6	171.2	-62.3	-72.3	0	0	0	109.9	P159 L161 L323 A327 K335 Y362	P159-F329 HydrophobicContact CG-CD1 4.14Å; P159-F329 HydrophobicContact CG-CE1 4.4Å; P159-F329 WeakPolarHBondContact O-CE1 3.44Å; L161-F329 HydrophobicContact CB-CZ 4.3Å; L323-F329 HydrophobicContact CB-CD2 4.27Å; L323-F329 HydrophobicContact CB-CE2 4.02Å; L323-F329 HydrophobicContact CD1-CE2 3.62Å; L323-F329 HydrophobicContact CD1-CZ 4.13Å; L323-F329 HydrophobicContact CG-CE2 4.4Å; A327-F329 VanDerWaalsContact C-N 3.33Å; F329-K335 HydrophobicContact CB-CG 4.27Å; F329-K335 HydrophobicContact CD2-CD 4.47Å; F329-K335 HydrophobicContact CD2-CG 4.07Å; F329-K335 HydrophobicContact CG-CG 4.09Å; F329-Y362 AromaticContact CE2-CE1 3.84Å; F329-Y362 HydrophobicContact CE2-CE1 3.84Å; F329-Y362 AromaticContact CE2-CZ 3.95Å; F329-Y362 WeakPolarHBondContact CE2-OH 3.48Å; F329-Y362 HydrophobicContact CZ-CE1 4.03Å
330	S	77.5	Confident	90	Very high	74 Å²	74	58.1 Å²	58.1	52%	0.517	34%	0.337	S	S	.	.			trans	-63.5	150.2	172.3	60.1	0	0	0	0	110.9	S332 G333	S330-S332 PolarHBondContact O-N 3.17Å; S330-G333 PolarHBondContact O-N 2.98Å; S330-G333 WeakPolarHBondContact OG-CA 3.48Å; S330-G333 PolarHBondContact OG-N 2.93Å
331	A	72.2	Confident	89.7	Confident	118 Å²	118	58 Å²	58	98%	0.975	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29	-177.3	0	0	0	0	0	113.6
332	S	71.6	Confident	89.5	Confident	121 Å²	121	56.9 Å²	56.9	85%	0.846	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-7.2	177	54.3	0	0	0	0	113.8	S330	S330-S332 PolarHBondContact O-N 3.17Å
333	G	78	Confident	89.3	Confident	25 Å²	25	53.3 Å²	53.3	26%	0.258	32%	0.319	S	S	.	.	S	Bend	trans	-80.1	141.4	-176.5	0	0	0	0	0	112.4	S330 K335	S330-G333 PolarHBondContact O-N 2.98Å; S330-G333 WeakPolarHBondContact OG-CA 3.48Å; S330-G333 PolarHBondContact OG-N 2.93Å; G333-K335 PolarHBondContact O-N 3.4Å
334	K	87.2	Confident	89.1	Confident	158 Å²	158	53.3 Å²	53.3	69%	0.687	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-67	127.2	168	-69.4	-176.6	178.3	-177.6	0	109.1	Q336	K334-Q336 PolarHBondContact O-N 3.03Å
335	K	94.5	Very high	89.1	Confident	55 Å²	55	49.3 Å²	49.3	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121	172.5	-58.6	177.4	-171	174.3	0	108.2	F329 G333 Y362 E363	F329-K335 HydrophobicContact CB-CG 4.27Å; F329-K335 HydrophobicContact CD2-CD 4.47Å; F329-K335 HydrophobicContact CD2-CG 4.07Å; F329-K335 HydrophobicContact CG-CG 4.09Å; G333-K335 PolarHBondContact O-N 3.4Å; K335-Y362 HydrophobicContact CB-CD1 3.68Å; K335-Y362 HydrophobicContact CB-CD2 4.1Å; K335-Y362 HydrophobicContact CB-CE1 3.75Å; K335-Y362 HydrophobicContact CB-CE2 4.16Å; K335-Y362 HydrophobicContact CB-CG 3.86Å; K335-Y362 HydrophobicContact CD-CD2 4.26Å; K335-Y362 HydrophobicContact CD-CE2 3.82Å; K335-Y362 CarbonylContact O-C 3.54Å; K335-Y362 VanDerWaalsContact O-CA 3.29Å; K335-Y362 WeakPolarHBondContact O-CA 3.36Å; K335-E363 PolarHBondContact O-N 3.3Å
336	Q	95.5	Very high	89.1	Confident	5 Å²	5	43.1 Å²	43.1	2%	0.023	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	-176.9	-70.9	174.4	-36.1	0	0	110.2	N155 T156 F160 L161 K334 E363 L365	N155-Q336 PolarHBondContact O-NE2 3.28Å; T156-Q336 VanDerWaalsContact CA-OE1 3.31Å; F160-Q336 HydrophobicContact CB-CB 4.1Å; L161-Q336 PolarHBondContact N-O 2.72Å; K334-Q336 PolarHBondContact O-N 3.03Å; Q336-E363 WeakPolarHBondContact CA-O 3.41Å; Q336-E363 HydrophobicContact CG-CB 4.17Å; Q336-E363 PolarHBondContact NE2-OE2 3.07Å; Q336-L365 HydrophobicContact CB-CD1 4.17Å; Q336-L365 HydrophobicContact CG-CD1 4.24Å
337	L	97.1	Very high	89.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.1	168.8	175.1	66	0	0	0	109	L161 L163 L316 M320 V339 C357 Y362 E363 L364 L365	L161-L337 HydrophobicContact CB-CD1 4.1Å; L161-L337 HydrophobicContact CD2-CD1 3.93Å; L161-L337 HydrophobicContact CG-CD1 3.71Å; L161-L337 CarbonylContact O-C 3.54Å; L161-L337 WeakPolarHBondContact O-CA 3.3Å; L163-L337 HydrophobicContact CB-CD1 4.16Å; L316-L337 HydrophobicContact CD1-CD1 3.89Å; L316-L337 HydrophobicContact CD1-CD2 4.07Å; L316-L337 HydrophobicContact CD2-CD2 3.61Å; L316-L337 HydrophobicContact CG-CD2 4.41Å; M320-L337 HydrophobicContact CE-CD2 4.07Å; L337-V339 HydrophobicContact CD1-CG2 4.27Å; L337-V339 HydrophobicContact CD2-CG2 3.68Å; L337-V339 HydrophobicContact CG-CG2 3.69Å; L337-C357 WeakPolarHBondContact CD2-SG 3.4Å; L337-Y362 HydrophobicContact CB-CD1 4.13Å; L337-E363 PolarHBondContact N-O 3.45Å; L337-L364 HydrophobicContact CD2-CD1 4.15Å; L337-L364 HydrophobicContact CG-CD1 4.36Å; L337-L365 PolarHBondContact O-N 3.08Å
338	V	96.9	Very high	89.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.6	169.8	-179.5	0	0	0	0	108.2	I149 T156 F160 L161 A162 L163 L365	I149-V338 HydrophobicContact CB-CG1 3.96Å; I149-V338 HydrophobicContact CG1-CG1 4.42Å; I149-V338 HydrophobicContact CG2-CB 4.31Å; I149-V338 HydrophobicContact CG2-CG1 3.64Å; I149-V338 HydrophobicContact CG2-CG2 3.67Å; T156-V338 HydrophobicContact CG2-CG2 4.42Å; F160-V338 HydrophobicContact CD2-CB 4.19Å; F160-V338 HydrophobicContact CD2-CG2 3.45Å; F160-V338 VanDerWaalsContact CD2-CG2 3.45Å; F160-V338 HydrophobicContact CE2-CB 4.29Å; F160-V338 HydrophobicContact CE2-CG2 3.72Å; F160-V338 HydrophobicContact CG-CG2 4.28Å; L161-V338 PolarHBondContact O-N 2.97Å; A162-V338 CarbonylContact C-O 3.53Å; A162-V338 WeakPolarHBondContact CA-O 3.47Å; A162-V338 HydrophobicContact CB-CB 4.46Å; L163-V338 PolarHBondContact N-O 2.88Å; V338-L365 WeakPolarHBondContact CA-O 3.4Å; V338-L365 HydrophobicContact CG2-CB 4.27Å; V338-L365 HydrophobicContact CG2-CD1 4.21Å
339	V	96.4	Very high	89.7	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.8	171.8	-164.5	0	0	0	0	109.3	L163 L165 L337 A344 F353 L364 L365 L366 P367	L163-V339 HydrophobicContact CB-CG1 4.29Å; L163-V339 HydrophobicContact CB-CG2 4.33Å; L163-V339 HydrophobicContact CD2-CG1 4.23Å; L163-V339 HydrophobicContact CG-CG1 4.22Å; L163-V339 VanDerWaalsContact O-CA 3.31Å; L163-V339 WeakPolarHBondContact O-CA 3.21Å; L163-V339 WeakPolarHBondContact O-CG1 3.33Å; L165-V339 HydrophobicContact CD1-CG1 4.26Å; L337-V339 HydrophobicContact CD1-CG2 4.27Å; L337-V339 HydrophobicContact CD2-CG2 3.68Å; L337-V339 HydrophobicContact CG-CG2 3.69Å; V339-A344 HydrophobicContact CG1-CB 3.64Å; V339-F353 HydrophobicContact CG1-CD2 4.05Å; V339-F353 HydrophobicContact CG1-CE2 3.79Å; V339-F353 HydrophobicContact CG1-CZ 4.29Å; V339-F353 HydrophobicContact CG2-CD2 4.3Å; V339-F353 HydrophobicContact CG2-CG 4.29Å; V339-L364 HydrophobicContact CG2-CD1 3.72Å; V339-L365 PolarHBondContact N-O 3.49Å; V339-L366 HydrophobicContact CB-CD2 3.67Å; V339-L366 HydrophobicContact CG2-CD2 4.32Å; V339-L366 WeakPolarHBondContact O-CD2 3.42Å; V339-P367 WeakPolarHBondContact O-CD 3.5Å
340	S	94	Very high	90.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	167.3	-177.2	-167.6	0	0	0	0	111.7	H145 L163 L164 L165	H145-S340 WeakPolarHBondContact O-CB 3.29Å; H145-S340 PolarHBondContact O-OG 3.36Å; L163-S340 PolarHBondContact O-N 2.96Å; L163-S340 VanDerWaalsContact O-N 3.11Å; L164-S340 CarbonylContact C-O 3.58Å; L164-S340 WeakPolarHBondContact CA-O 3.49Å; L165-S340 PolarHBondContact N-O 3.42Å
341	G	90.4	Very high	91.1	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	24%	0.243	C	C	.	.	S	Bend	trans	106.5	160.8	-179.1	0	0	0	0	0	114	L165 V343 A344 S345 C372	L165-G341 CarbonylContact O-C 3.44Å; L165-G341 VanDerWaalsContact O-CA 3.23Å; L165-G341 WeakPolarHBondContact O-CA 3.49Å; G341-V343 VanDerWaalsContact C-N 3.31Å; G341-V343 PolarHBondContact O-N 3.05Å; G341-A344 WeakPolarHBondContact O-CA 3.09Å; G341-A344 VanDerWaalsContact O-CB 3.31Å; G341-A344 WeakPolarHBondContact O-CB 3.36Å; G341-A344 PolarHBondContact O-N 2.65Å; G341-S345 PolarHBondContact O-N 3.25Å; G341-C372 CarbonylContact C-O 3.57Å; G341-C372 WeakPolarHBondContact CA-O 3.15Å
342	G	89.9	Confident	92.3	Very high	40 Å²	40	36.9 Å²	36.9	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.6	-175.7	0	0	0	0	0	114.6	L165 A344 S345 C372	L165-G342 PolarHBondContact O-N 2.95Å; G342-A344 VanDerWaalsContact C-N 3.33Å; G342-S345 WeakPolarHBondContact O-CB 3.03Å; G342-S345 PolarHBondContact O-N 3.46Å; G342-C372 PolarHBondContact N-O 3.01Å
343	V	92.5	Very high	93.6	Very high	13 Å²	13	31.1 Å²	31.1	8%	0.079	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-71.8	-30.8	177.2	177.3	0	0	0	0	111.1	L165 P192 F196 G341 S345 N346 F349	L165-V343 HydrophobicContact CB-CB 4.05Å; L165-V343 HydrophobicContact CB-CG1 4.44Å; L165-V343 WeakPolarHBondContact O-CB 3.43Å; L165-V343 PolarHBondContact O-N 3.29Å; P192-V343 HydrophobicContact CB-CG1 4.27Å; P192-V343 HydrophobicContact CB-CG2 4.41Å; P192-V343 HydrophobicContact CG-CG1 4.43Å; P192-V343 HydrophobicContact CG-CG2 4.22Å; F196-V343 HydrophobicContact CD2-CG1 4.42Å; F196-V343 HydrophobicContact CE2-CG1 3.87Å; G341-V343 VanDerWaalsContact C-N 3.31Å; G341-V343 PolarHBondContact O-N 3.05Å; V343-S345 PolarHBondContact O-N 2.74Å; V343-N346 WeakPolarHBondContact O-CB 3.43Å; V343-N346 PolarHBondContact O-N 3.22Å; V343-N346 VanDerWaalsContact O-N 3.16Å; V343-F349 HydrophobicContact CG1-CD1 4.1Å; V343-F349 HydrophobicContact CG1-CE1 3.7Å; V343-F349 HydrophobicContact CG1-CZ 4.3Å
344	A	90.4	Very high	94.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-68.1	-14	174.1	0	0	0	0	0	113.4	L165 V339 G341 G342 N346 R350	L165-A344 HydrophobicContact CB-CB 4.41Å; L165-A344 PolarHBondContact O-N 3.41Å; V339-A344 HydrophobicContact CG1-CB 3.64Å; G341-A344 WeakPolarHBondContact O-CA 3.09Å; G341-A344 VanDerWaalsContact O-CB 3.31Å; G341-A344 WeakPolarHBondContact O-CB 3.36Å; G341-A344 PolarHBondContact O-N 2.65Å; G342-A344 VanDerWaalsContact C-N 3.33Å; A344-N346 PolarHBondContact O-N 2.89Å; A344-R350 VanDerWaalsContact O-CG 3.29Å; A344-R350 WeakPolarHBondContact O-CG 3.23Å; A344-R350 PolarHBondContact O-NE 3.35Å
345	S	91.5	Very high	95	Very high	34 Å²	34	35.9 Å²	35.9	24%	0.238	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-76.4	-10	173	-63.4	0	0	0	0	113.4	G341 G342 V343 S347	G341-S345 PolarHBondContact O-N 3.25Å; G342-S345 WeakPolarHBondContact O-CB 3.03Å; G342-S345 PolarHBondContact O-N 3.46Å; V343-S345 PolarHBondContact O-N 2.74Å; S345-S347 PolarHBondContact O-N 2.93Å
346	N	94.2	Very high	95.2	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.048	17%	0.166	C	C	.	.			trans	-63.7	125.2	175.4	-173.8	-66.6	0	0	0	111.3	E222 Q305 V343 A344 Y348 F349 R350	E222-N346 WeakPolarHBondContact CB-ND2 3.47Å; Q305-N346 PolarHBondContact NE2-ND2 3.11Å; Q305-N346 PolarHBondContact NE2-OD1 3.36Å; V343-N346 WeakPolarHBondContact O-CB 3.43Å; V343-N346 PolarHBondContact O-N 3.22Å; V343-N346 VanDerWaalsContact O-N 3.16Å; A344-N346 PolarHBondContact O-N 2.89Å; N346-Y348 VanDerWaalsContact C-N 3.33Å; N346-Y348 PolarHBondContact O-N 2.96Å; N346-Y348 VanDerWaalsContact OD1-CB 3.23Å; N346-Y348 WeakPolarHBondContact OD1-CB 3.47Å; N346-Y348 PolarHBondContact OD1-N 3.16Å; N346-F349 HydrophobicContact CB-CB 4.14Å; N346-F349 HydrophobicContact CB-CD2 4.12Å; N346-F349 HydrophobicContact CB-CG 4.19Å; N346-F349 WeakPolarHBondContact O-CB 3.47Å; N346-F349 PolarHBondContact O-N 3.11Å; N346-F349 VanDerWaalsContact O-N 3.11Å; N346-F349 PolarHBondContact OD1-N 3.46Å; N346-R350 WeakPolarHBondContact O-CG 3.44Å; N346-R350 PolarHBondContact O-N 2.96Å
347	S	94.8	Very high	95.3	Very high	42 Å²	42	33.6 Å²	33.6	29%	0.294	17%	0.166	S	C	.	.	H	α-helix	trans	-62.9	-35.5	-175.5	63.6	0	0	0	0	113.4	E222 S345 F349 R350 R351	E222-S347 VanDerWaalsContact OE1-CB 3.22Å; E222-S347 WeakPolarHBondContact OE1-CB 3.43Å; E222-S347 PolarHBondContact OE1-N 3.38Å; E222-S347 PolarHBondContact OE1-OG 3.23Å; S345-S347 PolarHBondContact O-N 2.93Å; S347-F349 VanDerWaalsContact C-N 3.33Å; S347-R350 PolarHBondContact O-N 3.42Å; S347-R351 PolarHBondContact O-N 3.26Å; S347-R351 VanDerWaalsContact O-N 3.12Å
348	Y	96.9	Very high	95.3	Very high	48 Å²	48	41.2 Å²	41.2	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-43.6	174.5	-175.1	-88.8	0	0	0	110.8	I230 Q305 H306 F309 N346 G352	I230-Y348 HydrophobicContact CG2-CE2 4.45Å; Q305-Y348 HydrophobicContact CG-CD1 4.09Å; Q305-Y348 HydrophobicContact CG-CG 4.28Å; H306-Y348 HydrophobicContact CB-CE1 4.46Å; H306-Y348 AromaticContact ND1-CZ 3.8Å; H306-Y348 PolarHBondContact ND1-OH 3.22Å; F309-Y348 HydrophobicContact CB-CD1 4.23Å; F309-Y348 HydrophobicContact CB-CE1 3.94Å; F309-Y348 HydrophobicContact CD1-CE1 4.01Å; F309-Y348 HydrophobicContact CG-CD1 4.35Å; F309-Y348 HydrophobicContact CG-CE1 4.03Å; N346-Y348 VanDerWaalsContact C-N 3.33Å; N346-Y348 PolarHBondContact O-N 2.96Å; N346-Y348 VanDerWaalsContact OD1-CB 3.23Å; N346-Y348 WeakPolarHBondContact OD1-CB 3.47Å; N346-Y348 PolarHBondContact OD1-N 3.16Å; Y348-G352 PolarHBondContact O-N 2.95Å
349	F	96.7	Very high	95.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-43.2	179.2	-79.9	-135.7	0	0	0	110.9	L165 F196 Q305 V308 F309 I312 V343 N346 S347 G352 F353	L165-F349 HydrophobicContact CD1-CD1 4.41Å; F196-F349 HydrophobicContact CE2-CZ 4.03Å; F196-F349 HydrophobicContact CZ-CE2 4.04Å; F196-F349 AromaticContact CZ-CZ 3.77Å; F196-F349 HydrophobicContact CZ-CZ 3.77Å; Q305-F349 HydrophobicContact CG-CD2 4.45Å; Q305-F349 HydrophobicContact CG-CE2 3.88Å; V308-F349 HydrophobicContact CB-CZ 4.17Å; V308-F349 HydrophobicContact CG1-CE1 4.3Å; V308-F349 HydrophobicContact CG1-CZ 3.77Å; F309-F349 HydrophobicContact CB-CD2 4.1Å; F309-F349 HydrophobicContact CB-CE1 4.5Å; F309-F349 HydrophobicContact CB-CE2 3.76Å; F309-F349 HydrophobicContact CB-CZ 3.98Å; F309-F349 HydrophobicContact CD2-CB 4.26Å; F309-F349 HydrophobicContact CD2-CD1 4.16Å; F309-F349 HydrophobicContact CD2-CD2 4.2Å; F309-F349 AromaticContact CD2-CG 3.94Å; F309-F349 HydrophobicContact CD2-CG 3.94Å; I312-F349 HydrophobicContact CD1-CD1 4.42Å; I312-F349 HydrophobicContact CD1-CE1 3.58Å; I312-F349 HydrophobicContact CD1-CZ 4.34Å; V343-F349 HydrophobicContact CG1-CD1 4.1Å; V343-F349 HydrophobicContact CG1-CE1 3.7Å; V343-F349 HydrophobicContact CG1-CZ 4.3Å; N346-F349 HydrophobicContact CB-CB 4.14Å; N346-F349 HydrophobicContact CB-CD2 4.12Å; N346-F349 HydrophobicContact CB-CG 4.19Å; N346-F349 WeakPolarHBondContact O-CB 3.47Å; N346-F349 PolarHBondContact O-N 3.11Å; N346-F349 VanDerWaalsContact O-N 3.11Å; N346-F349 PolarHBondContact OD1-N 3.46Å; S347-F349 VanDerWaalsContact C-N 3.33Å; F349-G352 PolarHBondContact O-N 3.45Å; F349-F353 HydrophobicContact CB-CD2 4.31Å; F349-F353 HydrophobicContact CB-CE2 3.93Å; F349-F353 HydrophobicContact CD1-CE2 4.14Å; F349-F353 HydrophobicContact CD1-CZ 4.38Å; F349-F353 WeakPolarHBondContact O-CD2 3.44Å; F349-F353 WeakPolarHBondContact O-CG 3.38Å; F349-F353 PolarHBondContact O-N 3.5Å
350	R	95.9	Very high	95.3	Very high	56 Å²	56	47.5 Å²	47.5	21%	0.211	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-52.3	177.6	-71.5	-176.5	168.7	-138	-3.5	111.8	A344 N346 S347 G352 F353 E354 L366 P367	A344-R350 VanDerWaalsContact O-CG 3.29Å; A344-R350 WeakPolarHBondContact O-CG 3.23Å; A344-R350 PolarHBondContact O-NE 3.35Å; N346-R350 WeakPolarHBondContact O-CG 3.44Å; N346-R350 PolarHBondContact O-N 2.96Å; S347-R350 PolarHBondContact O-N 3.42Å; R350-G352 VanDerWaalsContact C-N 3.28Å; R350-G352 PolarHBondContact O-N 3.01Å; R350-F353 PolarHBondContact O-N 3.11Å; R350-E354 PolarHBondContact O-N 3.12Å; R350-L366 HydrophobicContact CB-CD1 4.17Å; R350-L366 HydrophobicContact CG-CD1 3.88Å; R350-P367 PolarHBondContact NH2-O 3.28Å
351	R	96.6	Very high	95.3	Very high	151 Å²	151	50.1 Å²	50.1	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-57.8	-42.2	175.3	-70	-169	-62.6	-107.1	2.6	112.1	S347 E354 Y355	S347-R351 PolarHBondContact O-N 3.26Å; S347-R351 VanDerWaalsContact O-N 3.12Å; R351-E354 WeakPolarHBondContact O-CB 3.43Å; R351-E354 PolarHBondContact O-N 3.25Å; R351-Y355 PolarHBondContact O-N 3.44Å; R351-Y355 VanDerWaalsContact O-N 3.09Å
352	G	97.7	Very high	95.6	Very high	13 Å²	13	50.9 Å²	50.9	13%	0.134	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-42.6	177.8	0	0	0	0	0	113.2	Y348 F349 R350 E354 Y355 V356	Y348-G352 PolarHBondContact O-N 2.95Å; F349-G352 PolarHBondContact O-N 3.45Å; R350-G352 VanDerWaalsContact C-N 3.28Å; R350-G352 PolarHBondContact O-N 3.01Å; G352-E354 VanDerWaalsContact C-N 3.33Å; G352-Y355 PolarHBondContact O-N 3.42Å; G352-V356 WeakPolarHBondContact O-CG2 3.44Å; G352-V356 PolarHBondContact O-N 2.82Å
353	F	98	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-35.6	175.4	-69.3	-52.3	0	0	0	112.2	L163 L165 F309 I312 L316 V339 F349 R350 Y355 V356 C357 L364	L163-F353 HydrophobicContact CD2-CD1 4.43Å; L163-F353 HydrophobicContact CD2-CE1 3.55Å; L163-F353 HydrophobicContact CD2-CZ 3.66Å; L165-F353 HydrophobicContact CD1-CE2 3.96Å; L165-F353 HydrophobicContact CD1-CZ 3.67Å; F309-F353 HydrophobicContact CD2-CZ 4.46Å; F309-F353 HydrophobicContact CE2-CD1 4.05Å; F309-F353 AromaticContact CE2-CE1 3.95Å; F309-F353 HydrophobicContact CE2-CE1 3.95Å; F309-F353 HydrophobicContact CE2-CE2 4.44Å; F309-F353 HydrophobicContact CE2-CG 4.31Å; F309-F353 HydrophobicContact CE2-CZ 4.14Å; I312-F353 HydrophobicContact CG2-CE1 3.95Å; I312-F353 HydrophobicContact CG2-CZ 3.84Å; L316-F353 HydrophobicContact CD2-CD1 3.81Å; L316-F353 HydrophobicContact CD2-CE1 3.93Å; V339-F353 HydrophobicContact CG1-CD2 4.05Å; V339-F353 HydrophobicContact CG1-CE2 3.79Å; V339-F353 HydrophobicContact CG1-CZ 4.29Å; V339-F353 HydrophobicContact CG2-CD2 4.3Å; V339-F353 HydrophobicContact CG2-CG 4.29Å; F349-F353 HydrophobicContact CB-CD2 4.31Å; F349-F353 HydrophobicContact CB-CE2 3.93Å; F349-F353 HydrophobicContact CD1-CE2 4.14Å; F349-F353 HydrophobicContact CD1-CZ 4.38Å; F349-F353 WeakPolarHBondContact O-CD2 3.44Å; F349-F353 WeakPolarHBondContact O-CG 3.38Å; F349-F353 PolarHBondContact O-N 3.5Å; R350-F353 PolarHBondContact O-N 3.11Å; F353-Y355 VanDerWaalsContact C-N 3.34Å; F353-Y355 PolarHBondContact O-N 3.19Å; F353-V356 PolarHBondContact O-N 2.81Å; F353-C357 WeakPolarHBondContact O-CB 3.4Å; F353-C357 PolarHBondContact O-N 2.92Å; F353-C357 PolarHBondContact O-SG 3.04Å; F353-L364 HydrophobicContact CB-CD1 4.11Å; F353-L364 HydrophobicContact CB-CD2 3.96Å
354	E	97.9	Very high	96	Very high	119 Å²	119	53.1 Å²	53.1	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-57	-49.8	174.3	-136.1	162.6	-141.8	0	0	110.4	R350 R351 G352 C357 Q358 L364	R350-E354 PolarHBondContact O-N 3.12Å; R351-E354 WeakPolarHBondContact O-CB 3.43Å; R351-E354 PolarHBondContact O-N 3.25Å; G352-E354 VanDerWaalsContact C-N 3.33Å; E354-C357 PolarHBondContact O-N 3Å; E354-Q358 WeakPolarHBondContact O-CB 3.44Å; E354-Q358 PolarHBondContact O-N 3Å; E354-L364 HydrophobicContact CB-CD2 4.13Å; E354-L364 HydrophobicContact CG-CD2 4.15Å
355	Y	98.1	Very high	96.3	Very high	164 Å²	164	53.6 Å²	53.6	64%	0.643	27%	0.273	S	S	*	.	H	α-helix	trans	-61.1	-45.3	175.5	-179.3	-96.9	0	0	0	113	R351 G352 F353 S359	R351-Y355 PolarHBondContact O-N 3.44Å; R351-Y355 VanDerWaalsContact O-N 3.09Å; G352-Y355 PolarHBondContact O-N 3.42Å; F353-Y355 VanDerWaalsContact C-N 3.34Å; F353-Y355 PolarHBondContact O-N 3.19Å; Y355-S359 WeakPolarHBondContact O-CB 3.19Å; Y355-S359 PolarHBondContact O-N 3.41Å; Y355-S359 PolarHBondContact O-OG 2.78Å
356	V	98.2	Very high	96.5	Very high	10 Å²	10	54.1 Å²	54.1	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-45.1	178.1	169.6	0	0	0	0	110.9	F309 A313 L316 L317 M320 G352 F353 N360	F309-V356 HydrophobicContact CZ-CG2 4.45Å; A313-V356 HydrophobicContact CB-CG2 4.23Å; L316-V356 HydrophobicContact CD2-CG1 3.95Å; L316-V356 HydrophobicContact CG-CG1 4.48Å; L317-V356 HydrophobicContact CD2-CG1 3.93Å; L317-V356 HydrophobicContact CG-CG1 4.32Å; M320-V356 HydrophobicContact CE-CG1 4.27Å; M320-V356 HydrophobicContact SD-CG1 4.25Å; G352-V356 WeakPolarHBondContact O-CG2 3.44Å; G352-V356 PolarHBondContact O-N 2.82Å; F353-V356 PolarHBondContact O-N 2.81Å; V356-N360 PolarHBondContact O-N 3.01Å; V356-N360 PolarHBondContact O-ND2 3.15Å
357	C	97.7	Very high	96.4	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-47.6	-179.8	-78.8	0	0	0	0	112.2	L337 F353 E354 S359 N360 G361 Y362 L364	L337-C357 WeakPolarHBondContact CD2-SG 3.4Å; F353-C357 WeakPolarHBondContact O-CB 3.4Å; F353-C357 PolarHBondContact O-N 2.92Å; F353-C357 PolarHBondContact O-SG 3.04Å; E354-C357 PolarHBondContact O-N 3Å; C357-S359 VanDerWaalsContact C-N 3.27Å; C357-S359 PolarHBondContact O-N 3.49Å; C357-N360 CarbonylContact O-C 3.53Å; C357-N360 PolarHBondContact O-N 3.3Å; C357-G361 PolarHBondContact O-N 3.1Å; C357-Y362 WeakPolarHBondContact CB-O 3.46Å; C357-Y362 PolarHBondContact O-N 2.8Å; C357-L364 HydrophobicContact CB-CB 3.99Å
358	Q	97	Very high	96.2	Very high	160 Å²	160	54 Å²	54	75%	0.748	27%	0.271	S	S	*	.	H	α-helix	trans	-57	-43.6	177.8	-173.3	-178.8	14.2	0	0	111.3	E354 N360	E354-Q358 WeakPolarHBondContact O-CB 3.44Å; E354-Q358 PolarHBondContact O-N 3Å; Q358-N360 PolarHBondContact O-N 3.31Å
359	S	97.1	Very high	95.7	Very high	70 Å²	70	55 Å²	55	49%	0.49	28%	0.284	S	S	.	.	H	α-helix	trans	-69.3	-17.8	-179.5	-55.9	0	0	0	0	114	Y355 C357	Y355-S359 WeakPolarHBondContact O-CB 3.19Å; Y355-S359 PolarHBondContact O-N 3.41Å; Y355-S359 PolarHBondContact O-OG 2.78Å; C357-S359 VanDerWaalsContact C-N 3.27Å; C357-S359 PolarHBondContact O-N 3.49Å
360	N	95.8	Very high	95.3	Very high	63 Å²	63	59.2 Å²	59.2	34%	0.337	31%	0.313	S	S	.	.	H	α-helix	trans	-117.6	7.3	-175.4	-69.6	-90.6	0	0	0	113.3	L317 M320 V356 C357 Q358 Y362	L317-N360 WeakPolarHBondContact CD2-ND2 3.32Å; M320-N360 HydrophobicContact SD-CB 3.9Å; V356-N360 PolarHBondContact O-N 3.01Å; V356-N360 PolarHBondContact O-ND2 3.15Å; C357-N360 CarbonylContact O-C 3.53Å; C357-N360 PolarHBondContact O-N 3.3Å; Q358-N360 PolarHBondContact O-N 3.31Å; N360-Y362 HydrophobicContact CB-CD2 4.01Å; N360-Y362 HydrophobicContact CB-CE2 4.38Å; N360-Y362 WeakPolarHBondContact O-CD2 3.29Å
361	G	94.4	Very high	95	Very high	56 Å²	56	57.1 Å²	57.1	58%	0.577	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	35.1	179.5	0	0	0	0	0	113.7	C357	C357-G361 PolarHBondContact O-N 3.1Å
362	Y	95.8	Very high	94.5	Very high	17 Å²	17	50 Å²	50	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.9	172.2	-78.2	-110.9	0	0	0	110.5	L161 M320 F329 K335 L337 C357 N360	L161-Y362 HydrophobicContact CD2-CE1 4.29Å; M320-Y362 HydrophobicContact CB-CE2 4.08Å; M320-Y362 HydrophobicContact CE-CD1 4.01Å; M320-Y362 HydrophobicContact CE-CD2 3.8Å; M320-Y362 HydrophobicContact CE-CE1 4.25Å; M320-Y362 HydrophobicContact CE-CE2 4.07Å; M320-Y362 HydrophobicContact CE-CG 3.78Å; M320-Y362 HydrophobicContact CG-CD2 4.4Å; M320-Y362 HydrophobicContact CG-CE1 4.33Å; M320-Y362 HydrophobicContact CG-CE2 3.73Å; M320-Y362 HydrophobicContact SD-CD2 4.01Å; M320-Y362 HydrophobicContact SD-CE2 3.9Å; F329-Y362 AromaticContact CE2-CE1 3.84Å; F329-Y362 HydrophobicContact CE2-CE1 3.84Å; F329-Y362 AromaticContact CE2-CZ 3.95Å; F329-Y362 WeakPolarHBondContact CE2-OH 3.48Å; F329-Y362 HydrophobicContact CZ-CE1 4.03Å; K335-Y362 HydrophobicContact CB-CD1 3.68Å; K335-Y362 HydrophobicContact CB-CD2 4.1Å; K335-Y362 HydrophobicContact CB-CE1 3.75Å; K335-Y362 HydrophobicContact CB-CE2 4.16Å; K335-Y362 HydrophobicContact CB-CG 3.86Å; K335-Y362 HydrophobicContact CD-CD2 4.26Å; K335-Y362 HydrophobicContact CD-CE2 3.82Å; K335-Y362 CarbonylContact O-C 3.54Å; K335-Y362 VanDerWaalsContact O-CA 3.29Å; K335-Y362 WeakPolarHBondContact O-CA 3.36Å; L337-Y362 HydrophobicContact CB-CD1 4.13Å; C357-Y362 WeakPolarHBondContact CB-O 3.46Å; C357-Y362 PolarHBondContact O-N 2.8Å; N360-Y362 HydrophobicContact CB-CD2 4.01Å; N360-Y362 HydrophobicContact CB-CE2 4.38Å; N360-Y362 WeakPolarHBondContact O-CD2 3.29Å
363	E	95.7	Very high	94	Very high	68 Å²	68	51.7 Å²	51.7	32%	0.318	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.5	161.9	179.4	179.8	-161.6	0	0	108.3	K335 Q336 L337 L365	K335-E363 PolarHBondContact O-N 3.3Å; Q336-E363 WeakPolarHBondContact CA-O 3.41Å; Q336-E363 HydrophobicContact CG-CB 4.17Å; Q336-E363 PolarHBondContact NE2-OE2 3.07Å; L337-E363 PolarHBondContact N-O 3.45Å; E363-L365 HydrophobicContact CG-CD2 3.94Å; E363-L365 HydrophobicContact CG-CG 4.39Å
364	L	96.6	Very high	93.7	Very high	33 Å²	33	52.9 Å²	52.9	17%	0.173	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.2	176.1	178.9	63.3	0	0	0	109.9	L337 V339 F353 E354 C357 L366	L337-L364 HydrophobicContact CD2-CD1 4.15Å; L337-L364 HydrophobicContact CG-CD1 4.36Å; V339-L364 HydrophobicContact CG2-CD1 3.72Å; F353-L364 HydrophobicContact CB-CD1 4.11Å; F353-L364 HydrophobicContact CB-CD2 3.96Å; E354-L364 HydrophobicContact CB-CD2 4.13Å; E354-L364 HydrophobicContact CG-CD2 4.15Å; C357-L364 HydrophobicContact CB-CB 3.99Å; L364-L366 HydrophobicContact CD1-CD2 4.14Å; L364-L366 HydrophobicContact CD1-CG 4.25Å; L364-L366 HydrophobicContact CD2-CD1 3.91Å; L364-L366 HydrophobicContact CD2-CG 4.15Å; L364-L366 HydrophobicContact CG-CD1 4.28Å; L364-L366 HydrophobicContact CG-CD2 4.4Å; L364-L366 HydrophobicContact CG-CG 3.98Å
365	L	96.1	Very high	93.6	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.058	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.6	177.1	-56.6	177	0	0	0	109.5	I149 N153 T156 Q336 L337 V338 V339 E363	I149-L365 HydrophobicContact CD1-CB 4.07Å; I149-L365 HydrophobicContact CG1-CB 3.72Å; I149-L365 HydrophobicContact CG1-CD1 4.35Å; N153-L365 WeakPolarHBondContact ND2-CD2 3.34Å; T156-L365 HydrophobicContact CG2-CD1 3.92Å; T156-L365 WeakPolarHBondContact OG1-CD1 3.46Å; Q336-L365 HydrophobicContact CB-CD1 4.17Å; Q336-L365 HydrophobicContact CG-CD1 4.24Å; L337-L365 PolarHBondContact O-N 3.08Å; V338-L365 WeakPolarHBondContact CA-O 3.4Å; V338-L365 HydrophobicContact CG2-CB 4.27Å; V338-L365 HydrophobicContact CG2-CD1 4.21Å; V339-L365 PolarHBondContact N-O 3.49Å; E363-L365 HydrophobicContact CG-CD2 3.94Å; E363-L365 HydrophobicContact CG-CG 4.39Å
366	L	94.7	Very high	93.5	Very high	44 Å²	44	39.8 Å²	39.8	23%	0.23	24%	0.239	C	C	.	.			trans	-121.7	120.5	-178.8	-65.1	172.4	0	0	0	109.3	V339 R350 L364	V339-L366 HydrophobicContact CB-CD2 3.67Å; V339-L366 HydrophobicContact CG2-CD2 4.32Å; V339-L366 WeakPolarHBondContact O-CD2 3.42Å; R350-L366 HydrophobicContact CB-CD1 4.17Å; R350-L366 HydrophobicContact CG-CD1 3.88Å; L364-L366 HydrophobicContact CD1-CD2 4.14Å; L364-L366 HydrophobicContact CD1-CG 4.25Å; L364-L366 HydrophobicContact CD2-CD1 3.91Å; L364-L366 HydrophobicContact CD2-CG 4.15Å; L364-L366 HydrophobicContact CG-CD1 4.28Å; L364-L366 HydrophobicContact CG-CD2 4.4Å; L364-L366 HydrophobicContact CG-CG 3.98Å
367	P	92.4	Very high	93.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.236	C	C	.	.			trans	-61.5	153.9	166.6	-17.6	30.6	0	0	0	110.9	V148 I149 L152 V339 R350 L371 C372	V148-P367 HydrophobicContact CG1-CB 4.14Å; V148-P367 HydrophobicContact CG1-CG 3.78Å; I149-P367 HydrophobicContact CB-CG 4.31Å; I149-P367 HydrophobicContact CD1-CG 4.15Å; L152-P367 HydrophobicContact CD1-CB 4.39Å; V339-P367 WeakPolarHBondContact O-CD 3.5Å; R350-P367 PolarHBondContact NH2-O 3.28Å; P367-L371 HydrophobicContact CB-CB 4.29Å; P367-C372 PolarHBondContact O-SG 3.16Å; P367-C372 VanDerWaalsContact O-SG 3.41Å
368	P	90.6	Very high	93.5	Very high	48 Å²	48	39.2 Å²	39.2	31%	0.312	24%	0.235	S	C	.	.			trans	-62.5	152	169.7	29.4	-34.3	0	0	0	109.4	L152 S370 L371 C372	L152-P368 HydrophobicContact CD1-CG 4.1Å; P368-S370 PolarHBondContact O-N 3.44Å; P368-S370 VanDerWaalsContact O-N 3.07Å; P368-L371 HydrophobicContact CG-CB 4.12Å; P368-L371 HydrophobicContact CG-CD1 3.92Å; P368-L371 HydrophobicContact CG-CG 4.11Å; P368-L371 PolarHBondContact O-N 2.81Å; P368-C372 PolarHBondContact O-N 3.07Å; P368-C372 PolarHBondContact O-SG 2.84Å
369	P	87	Confident	93.6	Very high	71 Å²	71	31.6 Å²	31.6	46%	0.461	20%	0.199	S	C	.	.	H	α-helix	trans	-51.5	-35.5	-177.6	-29.6	36.2	0	0	0	114.7	L371 C372	P369-L371 PolarHBondContact O-N 2.89Å; P369-C372 PolarHBondContact O-N 3.1Å; P369-C372 VanDerWaalsContact O-N 3.12Å
370	S	87.7	Confident	93.6	Very high	87 Å²	87	28.2 Å²	28.2	61%	0.608	18%	0.176	S	C	*	.	H	α-helix	trans	-62.3	-25.7	177.4	53.6	0	0	0	0	114.2	P368	P368-S370 PolarHBondContact O-N 3.44Å; P368-S370 VanDerWaalsContact O-N 3.07Å
371	L	90.2	Very high	93.7	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-104.5	2.1	177.6	-66.2	177	0	0	0	112.8	V148 L152 P367 P368 P369 V377	V148-L371 HydrophobicContact CG2-CB 4.04Å; V148-L371 HydrophobicContact CG2-CD1 4.38Å; V148-L371 HydrophobicContact CG2-CD2 4.37Å; L152-L371 HydrophobicContact CD1-CD1 3.99Å; L152-L371 HydrophobicContact CD2-CD1 4Å; L152-L371 HydrophobicContact CG-CD1 4.26Å; P367-L371 HydrophobicContact CB-CB 4.29Å; P368-L371 HydrophobicContact CG-CB 4.12Å; P368-L371 HydrophobicContact CG-CD1 3.92Å; P368-L371 HydrophobicContact CG-CG 4.11Å; P368-L371 PolarHBondContact O-N 2.81Å; P369-L371 PolarHBondContact O-N 2.89Å; L371-V377 HydrophobicContact CD2-CB 4.07Å; L371-V377 HydrophobicContact CD2-CG1 3.92Å
372	C	85.7	Confident	93.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-88.6	-13.2	173.4	-72	0	0	0	0	113.2	H145 G341 G342 P367 P368 P369	H145-C372 PolarHBondContact CE1-O 2.96Å; G341-C372 CarbonylContact C-O 3.57Å; G341-C372 WeakPolarHBondContact CA-O 3.15Å; G342-C372 PolarHBondContact N-O 3.01Å; P367-C372 PolarHBondContact O-SG 3.16Å; P367-C372 VanDerWaalsContact O-SG 3.41Å; P368-C372 PolarHBondContact O-N 3.07Å; P368-C372 PolarHBondContact O-SG 2.84Å; P369-C372 PolarHBondContact O-N 3.1Å; P369-C372 VanDerWaalsContact O-N 3.12Å
373	T	86.7	Confident	94	Very high	50 Å²	50	21.8 Å²	21.8	31%	0.307	13%	0.13	S	C	.	.	S	Bend	trans	-99	170.5	175.7	54.7	0	0	0	0	111	N375	T373-N375 PolarHBondContact O-N 2.8Å; T373-N375 PolarHBondContact O-ND2 3.04Å
374	D	92.2	Very high	94.1	Very high	25 Å²	25	18.6 Å²	18.6	13%	0.134	12%	0.115	C	C	.	.			trans	-71	123.9	-176.2	-59.7	-15	0	0	0	109.9	E37 D42 H141 H145 M378	E37-D374 HydrophobicContact CG-CB 4.26Å; D42-D374 HydrophobicContact CB-CB 4.32Å; H141-D374 VanDerWaalsContact CE1-CG 3.43Å; H141-D374 IonicContact CE1-OD1 3.92Å; H141-D374 PolarHBondContact CE1-OD1 2.97Å; H141-D374 IonicContact CE1-OD2 3.43Å; H141-D374 IonicContact NE2-OD1 3.23Å; H141-D374 IonicContact NE2-OD2 2.74Å; H145-D374 IonicContact CD2-OD1 3.93Å; H145-D374 IonicContact CE1-OD1 2.92Å; H145-D374 PolarHBondContact CE1-OD1 3.23Å; H145-D374 IonicContact NE2-OD1 2.73Å; H145-D374 PolarHBondContact NE2-OD1 3.25Å; D374-M378 HydrophobicContact CB-CE 4.21Å
375	N	95.3	Very high	94.1	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.027	11%	0.112	C	C	.	.			trans	-152.3	164.7	-177.3	61.2	64.4	0	0	0	111.7	T373 V377 M378	T373-N375 PolarHBondContact O-N 2.8Å; T373-N375 PolarHBondContact O-ND2 3.04Å; N375-V377 VanDerWaalsContact C-N 3.29Å; N375-V377 PolarHBondContact O-N 2.8Å; N375-V377 WeakPolarHBondContact OD1-CA 3.05Å; N375-V377 VanDerWaalsContact OD1-CB 3.29Å; N375-V377 WeakPolarHBondContact OD1-CB 3.27Å; N375-V377 PolarHBondContact OD1-N 3.36Å; N375-M378 VanDerWaalsContact O-CG 3.27Å; N375-M378 WeakPolarHBondContact O-CG 3.43Å; N375-M378 PolarHBondContact OD1-N 2.85Å
376	G	97.8	Very high	94.1	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-68.1	-26.5	177.1	0	0	0	0	0	113.7	A46 I379 A380	A46-G376 VanDerWaalsContact CB-C 3.45Å; G376-I379 PolarHBondContact O-N 3.21Å; G376-A380 WeakPolarHBondContact O-CB 3.29Å; G376-A380 PolarHBondContact O-N 3.01Å
377	V	98.1	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-45.4	-176.3	174.2	0	0	0	0	111.5	A46 V48 I54 E57 L151 L371 N375 I379 A380 W381	A46-V377 HydrophobicContact CB-CB 4.22Å; A46-V377 HydrophobicContact CB-CG2 3.53Å; V48-V377 HydrophobicContact CG2-CG1 4.3Å; I54-V377 HydrophobicContact CD1-CG1 3.81Å; I54-V377 HydrophobicContact CD1-CG2 4.03Å; I54-V377 HydrophobicContact CG1-CG1 3.9Å; I54-V377 HydrophobicContact CG1-CG2 4.2Å; I54-V377 HydrophobicContact CG2-CG2 3.9Å; E57-V377 HydrophobicContact CB-CG2 4.15Å; E57-V377 WeakPolarHBondContact OE2-CG2 3.38Å; L151-V377 HydrophobicContact CD1-CG1 3.6Å; L371-V377 HydrophobicContact CD2-CB 4.07Å; L371-V377 HydrophobicContact CD2-CG1 3.92Å; N375-V377 VanDerWaalsContact C-N 3.29Å; N375-V377 PolarHBondContact O-N 2.8Å; N375-V377 WeakPolarHBondContact OD1-CA 3.05Å; N375-V377 VanDerWaalsContact OD1-CB 3.29Å; N375-V377 WeakPolarHBondContact OD1-CB 3.27Å; N375-V377 PolarHBondContact OD1-N 3.36Å; V377-I379 PolarHBondContact O-N 2.92Å; V377-A380 PolarHBondContact O-N 3.46Å; V377-W381 VanDerWaalsContact O-CB 3.23Å; V377-W381 WeakPolarHBondContact O-CB 3.18Å; V377-W381 PolarHBondContact O-N 3.17Å
378	M	96.9	Very high	94.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-32.1	178.9	65.3	173	-170.5	0	0	112.4	E37 A144 V148 D374 N375 L382	E37-M378 HydrophobicContact CG-CE 4.06Å; E37-M378 WeakPolarHBondContact OE2-CE 3.44Å; A144-M378 HydrophobicContact CB-CB 4.08Å; A144-M378 HydrophobicContact CB-CG 3.97Å; A144-M378 HydrophobicContact CB-SD 4.14Å; V148-M378 HydrophobicContact CB-CB 4.05Å; V148-M378 HydrophobicContact CG2-CB 4.01Å; D374-M378 HydrophobicContact CB-CE 4.21Å; N375-M378 VanDerWaalsContact O-CG 3.27Å; N375-M378 WeakPolarHBondContact O-CG 3.43Å; N375-M378 PolarHBondContact OD1-N 2.85Å; M378-L382 PolarHBondContact O-N 2.99Å; M378-L382 VanDerWaalsContact O-N 3.12Å
379	I	98.5	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-75.1	-46.8	178.3	-55.9	-49.3	0	0	0	110.6	E37 A107 T109 I139 A144 G376 V377 W381 G383	E37-I379 HydrophobicContact CB-CG1 3.83Å; E37-I379 HydrophobicContact CG-CG1 4.34Å; E37-I379 WeakPolarHBondContact OE2-CD1 3.42Å; A107-I379 HydrophobicContact CB-CG2 4.08Å; T109-I379 WeakPolarHBondContact OG1-CD1 3.5Å; T109-I379 VanDerWaalsContact OG1-CG1 3.3Å; T109-I379 WeakPolarHBondContact OG1-CG1 3.47Å; I139-I379 HydrophobicContact CB-CD1 4.4Å; I139-I379 HydrophobicContact CB-CG2 4.05Å; I139-I379 HydrophobicContact CG1-CG2 3.79Å; I139-I379 HydrophobicContact CG2-CD1 3.69Å; I139-I379 HydrophobicContact CG2-CG2 4.3Å; A144-I379 HydrophobicContact CB-CD1 3.52Å; G376-I379 PolarHBondContact O-N 3.21Å; V377-I379 PolarHBondContact O-N 2.92Å; I379-W381 VanDerWaalsContact C-N 3.32Å; I379-W381 PolarHBondContact O-N 2.81Å; I379-G383 PolarHBondContact O-N 3.31Å
380	A	98.5	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-46.7	175.7	0	0	0	0	0	110.6	A46 V48 G376 V377 G383 V384	A46-A380 HydrophobicContact CB-CB 4.43Å; V48-A380 HydrophobicContact CB-CB 3.85Å; V48-A380 HydrophobicContact CG2-CB 3.56Å; G376-A380 WeakPolarHBondContact O-CB 3.29Å; G376-A380 PolarHBondContact O-N 3.01Å; V377-A380 PolarHBondContact O-N 3.46Å; A380-G383 CarbonylContact O-C 3.57Å; A380-G383 WeakPolarHBondContact O-CA 3.43Å; A380-G383 PolarHBondContact O-N 3.19Å; A380-G383 VanDerWaalsContact O-N 3.12Å; A380-V384 WeakPolarHBondContact O-CG2 3.41Å; A380-V384 PolarHBondContact O-N 2.94Å
381	W	97.9	Very high	95.2	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-46.1	-178.6	-180	-115.1	0	0	0	113.5	V48 F147 R150 L151 V377 I379 G383 V384 E385	V48-W381 HydrophobicContact CG1-CE3 3.86Å; F147-W381 PolarHBondContact O-NE1 3.48Å; R150-W381 HydrophobicContact CB-CZ2 4.22Å; L151-W381 HydrophobicContact CB-CD2 3.83Å; L151-W381 HydrophobicContact CB-CE3 4.48Å; L151-W381 HydrophobicContact CB-CG 3.82Å; L151-W381 HydrophobicContact CD1-CB 3.92Å; L151-W381 HydrophobicContact CD1-CD2 4.08Å; L151-W381 HydrophobicContact CD1-CE3 4.24Å; L151-W381 HydrophobicContact CD1-CG 3.92Å; L151-W381 HydrophobicContact CG-CD2 4.22Å; L151-W381 HydrophobicContact CG-CE3 4.43Å; L151-W381 HydrophobicContact CG-CG 4.36Å; L151-W381 VanDerWaalsContact N-NE1 3.13Å; V377-W381 VanDerWaalsContact O-CB 3.23Å; V377-W381 WeakPolarHBondContact O-CB 3.18Å; V377-W381 PolarHBondContact O-N 3.17Å; I379-W381 VanDerWaalsContact C-N 3.32Å; I379-W381 PolarHBondContact O-N 2.81Å; W381-G383 PolarHBondContact O-N 3.49Å; W381-V384 HydrophobicContact CE3-CB 4.11Å; W381-V384 HydrophobicContact CE3-CG1 4.22Å; W381-V384 HydrophobicContact CH2-CG1 4.44Å; W381-V384 HydrophobicContact CZ3-CB 4.18Å; W381-V384 HydrophobicContact CZ3-CG1 3.77Å; W381-V384 WeakPolarHBondContact O-CB 3.34Å; W381-V384 PolarHBondContact O-N 3.37Å; W381-V384 VanDerWaalsContact O-N 3.13Å; W381-E385 HydrophobicContact CD2-CG 4.46Å; W381-E385 HydrophobicContact CH2-CG 4.38Å; W381-E385 WeakPolarHBondContact CH2-OE1 3.32Å; W381-E385 HydrophobicContact CZ2-CG 3.82Å; W381-E385 WeakPolarHBondContact CZ2-OE1 3.44Å; W381-E385 PolarHBondContact O-N 3.03Å
382	L	97.5	Very high	95.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-31.5	173.4	-178.7	53.2	0	0	0	111.3	I139 A143 A144 F147 V178 M378 E385 K386	I139-L382 HydrophobicContact CD1-CB 4.29Å; I139-L382 HydrophobicContact CD1-CD2 4.48Å; I139-L382 HydrophobicContact CD1-CG 4.03Å; I139-L382 HydrophobicContact CG2-CB 4.42Å; I139-L382 HydrophobicContact CG2-CD2 3.8Å; I139-L382 HydrophobicContact CG2-CG 4.34Å; A143-L382 HydrophobicContact CB-CD2 3.63Å; A144-L382 HydrophobicContact CB-CB 4.42Å; A144-L382 HydrophobicContact CB-CD2 4.12Å; F147-L382 HydrophobicContact CB-CB 4.45Å; F147-L382 HydrophobicContact CB-CD1 4.15Å; F147-L382 HydrophobicContact CD1-CD1 3.63Å; F147-L382 HydrophobicContact CD2-CD1 4.14Å; F147-L382 HydrophobicContact CE1-CD1 4.03Å; F147-L382 HydrophobicContact CG-CD1 3.7Å; F147-L382 HydrophobicContact CZ-CD1 4.47Å; V178-L382 HydrophobicContact CG1-CD1 4.3Å; M378-L382 PolarHBondContact O-N 2.99Å; M378-L382 VanDerWaalsContact O-N 3.12Å; L382-E385 HydrophobicContact CD1-CB 4.44Å; L382-E385 PolarHBondContact O-N 2.94Å; L382-K386 HydrophobicContact CD1-CG 4.38Å; L382-K386 WeakPolarHBondContact O-CB 3.35Å; L382-K386 WeakPolarHBondContact O-CG 3.24Å; L382-K386 PolarHBondContact O-N 3.39Å
383	G	98.2	Very high	95.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.1	-45.4	169	0	0	0	0	0	113.1	I137 I379 A380 W381 K386 Y387	I137-G383 WeakPolarHBondContact CD1-O 3.48Å; I379-G383 PolarHBondContact O-N 3.31Å; A380-G383 CarbonylContact O-C 3.57Å; A380-G383 WeakPolarHBondContact O-CA 3.43Å; A380-G383 PolarHBondContact O-N 3.19Å; A380-G383 VanDerWaalsContact O-N 3.12Å; W381-G383 PolarHBondContact O-N 3.49Å; G383-K386 PolarHBondContact O-N 3.44Å; G383-Y387 VanDerWaalsContact O-CB 3.32Å; G383-Y387 WeakPolarHBondContact O-CB 3.26Å; G383-Y387 PolarHBondContact O-N 2.87Å
384	V	97.5	Very high	96.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-48	174.2	171.6	0	0	0	0	111.1	V33 V48 R50 A380 W381 K386 Y387 V388	V33-V384 HydrophobicContact CB-CG2 3.83Å; V33-V384 HydrophobicContact CG2-CB 4.48Å; V33-V384 HydrophobicContact CG2-CG2 3.72Å; V48-V384 HydrophobicContact CG1-CG2 4.46Å; R50-V384 HydrophobicContact CB-CG1 4.48Å; A380-V384 WeakPolarHBondContact O-CG2 3.41Å; A380-V384 PolarHBondContact O-N 2.94Å; W381-V384 HydrophobicContact CE3-CB 4.11Å; W381-V384 HydrophobicContact CE3-CG1 4.22Å; W381-V384 HydrophobicContact CH2-CG1 4.44Å; W381-V384 HydrophobicContact CZ3-CB 4.18Å; W381-V384 HydrophobicContact CZ3-CG1 3.77Å; W381-V384 WeakPolarHBondContact O-CB 3.34Å; W381-V384 PolarHBondContact O-N 3.37Å; W381-V384 VanDerWaalsContact O-N 3.13Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.01Å; V384-Y387 PolarHBondContact O-N 3.29Å; V384-V388 HydrophobicContact CG1-CG2 4.44Å; V384-V388 WeakPolarHBondContact O-CG2 3.36Å; V384-V388 PolarHBondContact O-N 2.59Å
385	E	96.1	Very high	96.5	Very high	25 Å²	25	21.6 Å²	21.6	12%	0.117	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-41.9	179.5	-69.7	-84.6	116.5	0	0	111.6	F147 R150 W381 L382 A389	F147-E385 HydrophobicContact CD1-CB 4.37Å; F147-E385 HydrophobicContact CD1-CG 4.19Å; R150-E385 IonicContact CZ-OE2 2.82Å; R150-E385 VanDerWaalsContact CZ-OE2 3.23Å; R150-E385 IonicContact NE-OE2 3.41Å; R150-E385 PolarHBondContact NE-OE2 2.72Å; R150-E385 IonicContact NH2-OE1 2.65Å; R150-E385 IonicContact NH2-OE2 3.47Å; R150-E385 PolarHBondContact NH2-OE2 3.46Å; W381-E385 HydrophobicContact CD2-CG 4.46Å; W381-E385 HydrophobicContact CH2-CG 4.38Å; W381-E385 WeakPolarHBondContact CH2-OE1 3.32Å; W381-E385 HydrophobicContact CZ2-CG 3.82Å; W381-E385 WeakPolarHBondContact CZ2-OE1 3.44Å; W381-E385 PolarHBondContact O-N 3.03Å; L382-E385 HydrophobicContact CD1-CB 4.44Å; L382-E385 PolarHBondContact O-N 2.94Å; E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.28Å; E385-A389 PolarHBondContact O-N 3.34Å
386	K	97.2	Very high	96.4	Very high	10 Å²	10	26 Å²	26	4%	0.043	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-42.5	173.3	-82.7	-174.7	170.4	-114.3	0	112.7	I137 I139 V178 D179 L382 G383 V384 A389 G390 S391 D392	I137-K386 HydrophobicContact CG2-CB 3.98Å; I137-K386 HydrophobicContact CG2-CD 3.72Å; I137-K386 HydrophobicContact CG2-CG 4.48Å; I139-K386 HydrophobicContact CD1-CD 3.95Å; V178-K386 HydrophobicContact CG1-CB 4.36Å; V178-K386 HydrophobicContact CG1-CG 3.44Å; V178-K386 VanDerWaalsContact CG1-CG 3.44Å; D179-K386 VanDerWaalsContact OD1-CE 3.27Å; D179-K386 WeakPolarHBondContact OD1-CE 3.23Å; D179-K386 IonicContact OD1-NZ 3.48Å; D179-K386 PolarHBondContact OD1-NZ 3.16Å; L382-K386 HydrophobicContact CD1-CG 4.38Å; L382-K386 WeakPolarHBondContact O-CB 3.35Å; L382-K386 WeakPolarHBondContact O-CG 3.24Å; L382-K386 PolarHBondContact O-N 3.39Å; G383-K386 PolarHBondContact O-N 3.44Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.01Å; K386-A389 CarbonylContact O-C 3.59Å; K386-A389 PolarHBondContact O-N 3.02Å; K386-G390 PolarHBondContact O-N 3.32Å; K386-S391 WeakPolarHBondContact CB-O 3.3Å; K386-S391 PolarHBondContact O-N 3.38Å; K386-D392 HydrophobicContact CD-CB 4.43Å; K386-D392 IonicContact NZ-OD2 3Å; K386-D392 PolarHBondContact NZ-OD2 3.2Å
387	Y	97	Very high	96.3	Very high	39 Å²	39	26.1 Å²	26.1	15%	0.153	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-47.4	177.7	-166.7	-82.2	0	0	0	111.3	P31 D104 A105 I137 G383 V384 A389 G390 I393	P31-Y387 HydrophobicContact CB-CD1 3.46Å; P31-Y387 VanDerWaalsContact CB-CD1 3.46Å; P31-Y387 HydrophobicContact CB-CE1 3.73Å; P31-Y387 HydrophobicContact CB-CG 4.1Å; P31-Y387 HydrophobicContact CG-CD1 3.94Å; P31-Y387 HydrophobicContact CG-CE1 4.42Å; D104-Y387 HydrophobicContact CB-CE2 4.08Å; A105-Y387 HydrophobicContact CB-CD2 3.87Å; A105-Y387 HydrophobicContact CB-CE2 4.1Å; I137-Y387 HydrophobicContact CD1-CD2 4.24Å; G383-Y387 VanDerWaalsContact O-CB 3.32Å; G383-Y387 WeakPolarHBondContact O-CB 3.26Å; G383-Y387 PolarHBondContact O-N 2.87Å; V384-Y387 PolarHBondContact O-N 3.29Å; Y387-A389 VanDerWaalsContact C-N 3.33Å; Y387-A389 PolarHBondContact O-N 3.4Å; Y387-G390 PolarHBondContact O-N 3.39Å; Y387-G390 VanDerWaalsContact O-N 3.14Å; Y387-I393 HydrophobicContact CD2-CD1 3.99Å; Y387-I393 HydrophobicContact CE2-CD1 4.5Å; Y387-I393 HydrophobicContact CG-CD1 4.22Å
388	V	94.9	Very high	96.1	Very high	73 Å²	73	28 Å²	28	44%	0.442	17%	0.167	S	C	.	.	H	α-helix	trans	-64.7	-37.5	177.8	172.6	0	0	0	0	111.7	P31 R50 V384 G390	P31-V388 HydrophobicContact CG-CG2 3.93Å; R50-V388 HydrophobicContact CG-CG2 4.29Å; V384-V388 HydrophobicContact CG1-CG2 4.44Å; V384-V388 WeakPolarHBondContact O-CG2 3.36Å; V384-V388 PolarHBondContact O-N 2.59Å; V388-G390 VanDerWaalsContact C-N 3.25Å; V388-G390 PolarHBondContact O-N 3.44Å
389	A	94.4	Very high	95.8	Very high	60 Å²	60	33.6 Å²	33.6	50%	0.496	20%	0.197	S	C	.	.	H	α-helix	trans	-75.6	-10.2	176	0	0	0	0	0	113.8	V178 E385 K386 Y387 S391	V178-A389 HydrophobicContact CB-CB 4.42Å; V178-A389 HydrophobicContact CG2-CB 4.05Å; E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.28Å; E385-A389 PolarHBondContact O-N 3.34Å; K386-A389 CarbonylContact O-C 3.59Å; K386-A389 PolarHBondContact O-N 3.02Å; Y387-A389 VanDerWaalsContact C-N 3.33Å; Y387-A389 PolarHBondContact O-N 3.4Å; A389-S391 VanDerWaalsContact C-N 3.31Å
390	G	94.9	Very high	95.6	Very high	43 Å²	43	40.1 Å²	40.1	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	29	-174.8	0	0	0	0	0	113.5	K386 Y387 V388	K386-G390 PolarHBondContact O-N 3.32Å; Y387-G390 PolarHBondContact O-N 3.39Å; Y387-G390 VanDerWaalsContact O-N 3.14Å; V388-G390 VanDerWaalsContact C-N 3.25Å; V388-G390 PolarHBondContact O-N 3.44Å
391	S	94.5	Very high	95.5	Very high	25 Å²	25	40.8 Å²	40.8	18%	0.175	23%	0.23	C	C	.	.			trans	-114.4	137.4	-170.6	-170	0	0	0	0	113.5	D179 K386 A389 I393	D179-S391 WeakPolarHBondContact OD2-CB 3.48Å; D179-S391 PolarHBondContact OD2-OG 3.02Å; K386-S391 WeakPolarHBondContact CB-O 3.3Å; K386-S391 PolarHBondContact O-N 3.38Å; A389-S391 VanDerWaalsContact C-N 3.31Å; S391-I393 PolarHBondContact O-N 3.14Å; S391-I393 VanDerWaalsContact O-N 3.16Å
392	D	93.7	Very high	95.3	Very high	28 Å²	28	44 Å²	44	15%	0.15	25%	0.251	C	S	.	.	S	Bend	trans	48.5	37	-179	-69.5	-17.3	0	0	0	113.9	P138 K386	P138-D392 VanDerWaalsContact CD-O 3.25Å; P138-D392 WeakPolarHBondContact CD-O 3.46Å; P138-D392 HydrophobicContact CG-CB 4.34Å; K386-D392 HydrophobicContact CD-CB 4.43Å; K386-D392 IonicContact NZ-OD2 3Å; K386-D392 PolarHBondContact NZ-OD2 3.2Å
393	I	96.7	Very high	95.2	Very high	37 Å²	37	45.1 Å²	45.1	19%	0.19	26%	0.258	C	S	.	.			trans	-92.1	105.9	174.4	-50.1	172	0	0	0	108.3	P135 Y387 S391	P135-I393 HydrophobicContact CB-CG2 3.57Å; P135-I393 HydrophobicContact CG-CG2 3.89Å; Y387-I393 HydrophobicContact CD2-CD1 3.99Å; Y387-I393 HydrophobicContact CE2-CD1 4.5Å; Y387-I393 HydrophobicContact CG-CD1 4.22Å; S391-I393 PolarHBondContact O-N 3.14Å; S391-I393 VanDerWaalsContact O-N 3.16Å
394	L	97.1	Very high	94.9	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-96.8	112.9	-173.5	-52	-178.5	0	0	0	110.6	P135 L136 P138 F397 Y401	P135-L394 CarbonylContact C-O 3.43Å; P135-L394 VanDerWaalsContact CA-O 3.25Å; P135-L394 WeakPolarHBondContact CA-O 3.38Å; P135-L394 WeakPolarHBondContact CB-O 3.42Å; L136-L394 HydrophobicContact CB-CB 4.48Å; L136-L394 PolarHBondContact N-O 3.19Å; L136-L394 WeakPolarHBondContact O-CB 3.34Å; L136-L394 PolarHBondContact O-N 3.4Å; P138-L394 HydrophobicContact CG-CD1 4Å; L394-F397 HydrophobicContact CB-CB 4.45Å; L394-F397 HydrophobicContact CB-CD1 3.9Å; L394-F397 HydrophobicContact CD1-CB 4.45Å; L394-F397 WeakPolarHBondContact O-CD1 2.78Å; L394-F397 WeakPolarHBondContact O-CE1 3.05Å; L394-Y401 HydrophobicContact CD1-CE2 3.49Å; L394-Y401 VanDerWaalsContact CD1-CE2 3.49Å
395	Q	94.1	Very high	94.4	Very high	97 Å²	97	50.9 Å²	50.9	45%	0.453	29%	0.29	S	S	.	.	S	Bend	trans	-83	-38	171.2	-65.9	-68.5	-14.4	0	0	111.4
396	D	93.4	Very high	93.1	Very high	97 Å²	97	52.8 Å²	52.8	52%	0.519	30%	0.296	S	S	.	.	S	Bend	trans	-119.1	136	174.6	-168.9	15.2	0	0	0	109.6
397	F	95.5	Very high	91.1	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.018	32%	0.317	C	S	.	.			trans	-163.1	153.1	-174	48.7	-93.4	0	0	0	108.2	V126 C129 R130 L136 L394 Y401	V126-F397 HydrophobicContact CB-CE2 4.37Å; V126-F397 HydrophobicContact CG1-CE2 4.1Å; V126-F397 HydrophobicContact CG2-CD2 4.22Å; V126-F397 HydrophobicContact CG2-CE2 4.01Å; C129-F397 HydrophobicContact CB-CE1 4.46Å; C129-F397 HydrophobicContact CB-CE2 4.39Å; C129-F397 HydrophobicContact CB-CZ 3.59Å; R130-F397 PolarHBondContact NH2-O 3.36Å; L136-F397 HydrophobicContact CB-CD1 3.85Å; L136-F397 HydrophobicContact CB-CE1 3.56Å; L136-F397 HydrophobicContact CB-CE2 4.4Å; L136-F397 HydrophobicContact CB-CG 4.4Å; L136-F397 HydrophobicContact CB-CZ 3.88Å; L136-F397 HydrophobicContact CD2-CD1 4.45Å; L136-F397 HydrophobicContact CD2-CD2 4.1Å; L136-F397 HydrophobicContact CD2-CE2 4.3Å; L136-F397 HydrophobicContact CD2-CG 4.19Å; L394-F397 HydrophobicContact CB-CB 4.45Å; L394-F397 HydrophobicContact CB-CD1 3.9Å; L394-F397 HydrophobicContact CD1-CB 4.45Å; L394-F397 WeakPolarHBondContact O-CD1 2.78Å; L394-F397 WeakPolarHBondContact O-CE1 3.05Å; F397-Y401 HydrophobicContact CB-CD2 3.98Å; F397-Y401 HydrophobicContact CB-CE2 4.25Å
398	P	93.7	Very high	88.2	Confident	39 Å²	39	63.7 Å²	63.7	25%	0.253	35%	0.348	S	S	.	.			trans	-70.5	154.6	-177.4	30.6	-34.8	0	0	0	110.8	Y17 E400 Y401	Y17-P398 WeakPolarHBondContact OH-CD 3.41Å; Y17-P398 WeakPolarHBondContact OH-CG 3.25Å; P398-E400 PolarHBondContact O-N 2.9Å; P398-Y401 PolarHBondContact O-N 2.89Å
399	D	91.1	Very high	85.3	Confident	118 Å²	118	62.9 Å²	62.9	63%	0.631	34%	0.343	S	S	*	.	S	Bend	trans	-63	-34.9	177.7	-66.5	-27.2	0	0	0	111.8	R130	R130-D399 IonicContact CZ-OD1 3.8Å; R130-D399 IonicContact NE-OD1 2.71Å; R130-D399 PolarHBondContact NE-OD1 2.89Å; R130-D399 IonicContact NH2-OD1 3Å; R130-D399 PolarHBondContact NH2-OD1 3.4Å
400	E	93.3	Very high	82.4	Confident	137 Å²	137	62.9 Å²	62.9	64%	0.64	34%	0.339	S	S	*	.	S	Bend	trans	-97.3	84.8	166.5	-165.4	-178.7	174.8	0	0	110.3	R119 P398	R119-E400 IonicContact CZ-OE1 2.99Å; R119-E400 IonicContact NE-OE1 2.67Å; R119-E400 VanDerWaalsContact NH2-CG 3.34Å; R119-E400 IonicContact NH2-OE1 2.7Å; R119-E400 PolarHBondContact NH2-OE1 3.43Å; P398-E400 PolarHBondContact O-N 2.9Å
401	Y	96.3	Very high	80	Confident	14 Å²	14	64.9 Å²	64.9	6%	0.055	35%	0.351	C	S	.	.			trans	-66.2	136.7	175.8	-166.2	-89.8	0	0	0	111.1	T110 R119 V122 L136 P138 L394 F397 P398	T110-Y401 HydrophobicContact CG2-CD1 3.95Å; T110-Y401 HydrophobicContact CG2-CE1 3.69Å; R119-Y401 PolarHBondContact NH1-O 3.43Å; R119-Y401 PolarHBondContact NH2-O 2.87Å; V122-Y401 HydrophobicContact CG1-CD1 4.14Å; V122-Y401 HydrophobicContact CG1-CG 4.32Å; L136-Y401 HydrophobicContact CD2-CD2 3.93Å; L136-Y401 HydrophobicContact CD2-CE2 4.23Å; L136-Y401 HydrophobicContact CD2-CG 4.1Å; P138-Y401 HydrophobicContact CB-CE1 4Å; P138-Y401 WeakPolarHBondContact CB-OH 3.36Å; P138-Y401 WeakPolarHBondContact CG-OH 3.4Å; L394-Y401 HydrophobicContact CD1-CE2 3.49Å; L394-Y401 VanDerWaalsContact CD1-CE2 3.49Å; F397-Y401 HydrophobicContact CB-CD2 3.98Å; F397-Y401 HydrophobicContact CB-CE2 4.25Å; P398-Y401 PolarHBondContact O-N 2.89Å
402	P	95.2	Very high	77.8	Confident	70 Å²	70	69.9 Å²	69.9	46%	0.455	37%	0.373	S	S	.	.			trans	-69.9	142.3	-176.8	27.3	-35.3	0	0	0	112.5
403	V	95.1	Very high	75.7	Confident	23 Å²	23	72.7 Å²	72.7	14%	0.139	39%	0.388	C	S	.	.			trans	-116.2	146.6	171.3	-70.5	0	0	0	0	109.9	T110 Q115 L118 V122	T110-V403 WeakPolarHBondContact O-CA 3.45Å; Q115-V403 HydrophobicContact CG-CG2 3.77Å; L118-V403 HydrophobicContact CB-CB 4.07Å; L118-V403 HydrophobicContact CB-CG1 3.83Å; L118-V403 HydrophobicContact CD1-CB 4.33Å; V122-V403 HydrophobicContact CB-CG1 4.04Å; V122-V403 HydrophobicContact CG1-CG1 4.34Å; V122-V403 HydrophobicContact CG2-CG1 3.63Å
404	Q	90.9	Very high	73.6	Confident	92 Å²	92	75.5 Å²	75.5	43%	0.43	40%	0.403	S	S	.	.			trans	-118.3	120.6	177.5	-174.1	-174.5	-6	0	0	110.7	T110 R111 P112 L118	T110-Q404 PolarHBondContact O-N 3.49Å; T110-Q404 VanDerWaalsContact O-N 3.08Å; R111-Q404 HydrophobicContact CB-CB 3.69Å; P112-Q404 WeakPolarHBondContact CA-O 3.45Å; L118-Q404 WeakPolarHBondContact CD1-O 3.43Å
405	A	86.2	Confident	71.9	Confident	29 Å²	29	79.9 Å²	79.9	24%	0.24	43%	0.426	C	S	.	.			trans	-66.1	154.1	178.6	0	0	0	0	0	112.3	G113 Q115	G113-A405 CarbonylContact O-C 3.6Å; G113-A405 VanDerWaalsContact O-CA 3.31Å; G113-A405 WeakPolarHBondContact O-CA 3.05Å; Q115-A405 HydrophobicContact CB-CB 4.17Å
406	R	69.9	Low	70.8	Confident	66 Å²	66	79.6 Å²	79.6	25%	0.249	43%	0.427	C	S	.	.	S	Bend	trans	-61.1	-40	174.7	173.6	173	175.1	-155.7	-25.2	114	P112 G113 G168 H169	P112-R406 HydrophobicContact CB-CB 4.12Å; G113-R406 PolarHBondContact O-N 3.43Å; G168-R406 VanDerWaalsContact CA-NH1 3.34Å; G168-R406 PolarHBondContact O-NE 3.06Å; G168-R406 PolarHBondContact O-NH2 3.21Å; H169-R406 WeakPolarHBondContact CE1-CD 3.45Å; H169-R406 PolarHBondContact CE1-NE 3.12Å; H169-R406 WeakPolarHBondContact NE2-CD 3.22Å; H169-R406 WeakPolarHBondContact NE2-CG 3.23Å; H169-R406 PolarHBondContact NE2-NE 2.96Å
407	Y	55	Low	69.8	Low	122 Å²	122	79 Å²	79	48%	0.478	42%	0.423	S	S	.	.	S	Bend	trans	-106.8	127.6	173.4	-64.5	-81.6	0	0	0	107.6	V409	Y407-V409 PolarHBondContact O-N 3.35Å
408	I	35.6	Very low	68.7	Low	156 Å²	156	83.4 Å²	83.4	80%	0.8	45%	0.446	S	S	*	.			trans	-68.1	84.7	145.6	-56.7	172.5	0	0	0	103.3	S410	I408-S410 PolarHBondContact O-N 2.91Å
409	V	34.1	Very low	68	Low	56 Å²	56	85.3 Å²	85.3	34%	0.339	45%	0.453	S	S	.	.			trans	-62.6	95.3	159.3	-172.2	0	0	0	0	102.3	Y407 A411 L413 L414	Y407-V409 PolarHBondContact O-N 3.35Å; V409-A411 PolarHBondContact O-N 3.09Å; V409-L413 HydrophobicContact CG1-CB 3.81Å; V409-L413 HydrophobicContact CG1-CD2 4.1Å; V409-L413 HydrophobicContact CG1-CG 4.13Å; V409-L414 HydrophobicContact CB-CD1 4.32Å; V409-L414 HydrophobicContact CG1-CB 3.82Å; V409-L414 HydrophobicContact CG1-CD1 3.91Å; V409-L414 HydrophobicContact CG1-CG 4.33Å
410	S	34.6	Very low	67.4	Low	59 Å²	59	85 Å²	85	41%	0.413	45%	0.448	S	S	.	.			trans	-46	139.2	170.3	165.4	0	0	0	0	106.4	I408 M412 L413 L414	I408-S410 PolarHBondContact O-N 2.91Å; S410-M412 CarbonylContact O-C 3.57Å; S410-M412 PolarHBondContact O-N 2.74Å; S410-M412 VanDerWaalsContact OG-CB 3.31Å; S410-M412 WeakPolarHBondContact OG-CB 3.15Å; S410-M412 PolarHBondContact OG-N 3.34Å; S410-L413 WeakPolarHBondContact O-CA 3.28Å; S410-L413 PolarHBondContact O-N 3.42Å; S410-L414 PolarHBondContact O-N 3.01Å; S410-L414 VanDerWaalsContact O-N 3.13Å
411	A	43.4	Very low	66.6	Low	85 Å²	85	84.2 Å²	84.2	70%	0.702	44%	0.444	S	S	*	.	H	α-helix	trans	-47.3	-29.3	174	0	0	0	0	0	111.2	V409 L414 L415	V409-A411 PolarHBondContact O-N 3.09Å; A411-L414 PolarHBondContact O-N 2.93Å; A411-L415 WeakPolarHBondContact O-CB 3.43Å; A411-L415 PolarHBondContact O-N 2.79Å
412	M	49.3	Very low	65.8	Low	131 Å²	131	87.3 Å²	87.3	65%	0.645	46%	0.464	S	S	*	.	H	α-helix	trans	-64.5	-39.8	173.2	-144.8	-178.4	95.4	0	0	114.3	S410 L416	S410-M412 CarbonylContact O-C 3.57Å; S410-M412 PolarHBondContact O-N 2.74Å; S410-M412 VanDerWaalsContact OG-CB 3.31Å; S410-M412 WeakPolarHBondContact OG-CB 3.15Å; S410-M412 PolarHBondContact OG-N 3.34Å; M412-L416 WeakPolarHBondContact O-CB 3.27Å; M412-L416 WeakPolarHBondContact O-CG 3.46Å; M412-L416 PolarHBondContact O-N 3.32Å
413	L	49	Very low	65	Low	87 Å²	87	89 Å²	89	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-74.4	-35.8	176.4	-169.7	70.2	0	0	0	111.3	V409 S410 L415 L416 I417	V409-L413 HydrophobicContact CG1-CB 3.81Å; V409-L413 HydrophobicContact CG1-CD2 4.1Å; V409-L413 HydrophobicContact CG1-CG 4.13Å; S410-L413 WeakPolarHBondContact O-CA 3.28Å; S410-L413 PolarHBondContact O-N 3.42Å; L413-L415 VanDerWaalsContact C-N 3.33Å; L413-L416 PolarHBondContact O-N 3.27Å; L413-I417 HydrophobicContact CG-CD1 4.35Å; L413-I417 VanDerWaalsContact O-CG1 3.27Å; L413-I417 WeakPolarHBondContact O-CG1 3.33Å; L413-I417 PolarHBondContact O-N 3.07Å
414	L	52.2	Low	64.2	Low	96 Å²	96	92.9 Å²	92.9	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-40.6	173.5	-148.4	125.6	0	0	0	110.4	V409 S410 A411 I417 L418	V409-L414 HydrophobicContact CB-CD1 4.32Å; V409-L414 HydrophobicContact CG1-CB 3.82Å; V409-L414 HydrophobicContact CG1-CD1 3.91Å; V409-L414 HydrophobicContact CG1-CG 4.33Å; S410-L414 PolarHBondContact O-N 3.01Å; S410-L414 VanDerWaalsContact O-N 3.13Å; A411-L414 PolarHBondContact O-N 2.93Å; L414-I417 PolarHBondContact O-N 3.37Å; L414-L418 HydrophobicContact CD2-CD1 3.91Å; L414-L418 WeakPolarHBondContact O-CB 3.35Å; L414-L418 WeakPolarHBondContact O-CG 3.35Å; L414-L418 PolarHBondContact O-N 2.78Å
415	L	62.8	Low	63.7	Low	99 Å²	99	95.7 Å²	95.7	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-62.8	-40.9	171.8	-169.1	74.6	0	0	0	111.5	A411 L413 L418 I419	A411-L415 WeakPolarHBondContact O-CB 3.43Å; A411-L415 PolarHBondContact O-N 2.79Å; L413-L415 VanDerWaalsContact C-N 3.33Å; L415-L418 PolarHBondContact O-N 3.33Å; L415-I419 HydrophobicContact CD2-CD1 4.24Å; L415-I419 HydrophobicContact CG-CD1 3.84Å; L415-I419 HydrophobicContact CG-CG1 4.39Å; L415-I419 WeakPolarHBondContact O-CB 3.44Å; L415-I419 WeakPolarHBondContact O-CD1 3.34Å; L415-I419 WeakPolarHBondContact O-CG1 3.18Å; L415-I419 PolarHBondContact O-N 3.49Å
416	L	70.2	Confident	63.1	Low	91 Å²	91	98.8 Å²	98.8	48%	0.476	51%	0.508	S	S	.	.	H	α-helix	trans	-66.5	-40.8	176.3	-76.1	165.2	0	0	0	112.4	M412 L413 L418 I419 Q420	M412-L416 WeakPolarHBondContact O-CB 3.27Å; M412-L416 WeakPolarHBondContact O-CG 3.46Å; M412-L416 PolarHBondContact O-N 3.32Å; L413-L416 PolarHBondContact O-N 3.27Å; L416-L418 VanDerWaalsContact C-N 3.34Å; L416-I419 PolarHBondContact O-N 2.52Å; L416-Q420 WeakPolarHBondContact O-CB 3.35Å; L416-Q420 PolarHBondContact O-N 3.4Å
417	I	71.8	Confident	63.3	Low	86 Å²	86	104.3 Å²	104.3	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-41.3	174.7	-67.3	164.2	0	0	0	110.5	L413 L414 Q420 H421	L413-I417 HydrophobicContact CG-CD1 4.35Å; L413-I417 VanDerWaalsContact O-CG1 3.27Å; L413-I417 WeakPolarHBondContact O-CG1 3.33Å; L413-I417 PolarHBondContact O-N 3.07Å; L414-I417 PolarHBondContact O-N 3.37Å; I417-Q420 PolarHBondContact O-N 3.31Å; I417-H421 PolarHBondContact O-N 3.1Å; I417-H421 PolarHBondContact O-ND1 3.24Å
418	L	72.5	Confident	64.1	Low	95 Å²	95	101 Å²	101	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-64.7	-46.9	174.8	-83.9	162.2	0	0	0	111.8	L414 L415 L416 Q420 H421 V422	L414-L418 HydrophobicContact CD2-CD1 3.91Å; L414-L418 WeakPolarHBondContact O-CB 3.35Å; L414-L418 WeakPolarHBondContact O-CG 3.35Å; L414-L418 PolarHBondContact O-N 2.78Å; L415-L418 PolarHBondContact O-N 3.33Å; L416-L418 VanDerWaalsContact C-N 3.34Å; L418-Q420 VanDerWaalsContact C-N 3.27Å; L418-Q420 PolarHBondContact O-N 3.06Å; L418-H421 PolarHBondContact O-N 2.79Å; L418-V422 WeakPolarHBondContact O-CB 3.21Å; L418-V422 VanDerWaalsContact O-CG2 3.26Å; L418-V422 WeakPolarHBondContact O-CG2 2.89Å; L418-V422 PolarHBondContact O-N 3.03Å
419	I	78.9	Confident	65.7	Low	79 Å²	79	95.6 Å²	95.6	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-59.4	-43.2	176	-72.8	164.8	0	0	0	109.5	L415 L416 V422 L423	L415-I419 HydrophobicContact CD2-CD1 4.24Å; L415-I419 HydrophobicContact CG-CD1 3.84Å; L415-I419 HydrophobicContact CG-CG1 4.39Å; L415-I419 WeakPolarHBondContact O-CB 3.44Å; L415-I419 WeakPolarHBondContact O-CD1 3.34Å; L415-I419 WeakPolarHBondContact O-CG1 3.18Å; L415-I419 PolarHBondContact O-N 3.49Å; L416-I419 PolarHBondContact O-N 2.52Å; I419-V422 PolarHBondContact O-N 3.17Å; I419-L423 HydrophobicContact CG2-CD1 3.69Å; I419-L423 HydrophobicContact CG2-CG 4.14Å; I419-L423 WeakPolarHBondContact O-CB 3.13Å; I419-L423 VanDerWaalsContact O-CG 3.23Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.17Å
420	Q	79.7	Confident	67.3	Low	111 Å²	111	96.9 Å²	96.9	52%	0.519	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-42.9	178.4	-176.7	150	-15.4	0	0	112.2	L416 I417 L418 V422 L423 E424	L416-Q420 WeakPolarHBondContact O-CB 3.35Å; L416-Q420 PolarHBondContact O-N 3.4Å; I417-Q420 PolarHBondContact O-N 3.31Å; L418-Q420 VanDerWaalsContact C-N 3.27Å; L418-Q420 PolarHBondContact O-N 3.06Å; Q420-V422 VanDerWaalsContact C-N 3.35Å; Q420-V422 PolarHBondContact O-N 3.27Å; Q420-L423 PolarHBondContact O-N 3.08Å; Q420-E424 HydrophobicContact CG-CG 4.44Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.24Å; Q420-E424 PolarHBondContact NE2-OE1 3.39Å; Q420-E424 WeakPolarHBondContact O-CB 3.35Å; Q420-E424 WeakPolarHBondContact O-CG 2.94Å; Q420-E424 PolarHBondContact O-N 3.38Å
421	H	75.2	Confident	68.6	Low	121 Å²	121	98.8 Å²	98.8	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-39.2	173.8	-82.3	72.8	0	0	0	112.5	I417 L418 E424 F425	I417-H421 PolarHBondContact O-N 3.1Å; I417-H421 PolarHBondContact O-ND1 3.24Å; L418-H421 PolarHBondContact O-N 2.79Å; H421-E424 PolarHBondContact O-N 3.05Å; H421-F425 VanDerWaalsContact O-CB 3.27Å; H421-F425 WeakPolarHBondContact O-CB 3.49Å; H421-F425 PolarHBondContact O-N 3.3Å
422	V	79.7	Confident	69.1	Low	79 Å²	79	103.2 Å²	103.2	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-67.5	-40.7	176.6	171.4	0	0	0	0	110.7	L418 I419 Q420 F425 L426	L418-V422 WeakPolarHBondContact O-CB 3.21Å; L418-V422 VanDerWaalsContact O-CG2 3.26Å; L418-V422 WeakPolarHBondContact O-CG2 2.89Å; L418-V422 PolarHBondContact O-N 3.03Å; I419-V422 PolarHBondContact O-N 3.17Å; Q420-V422 VanDerWaalsContact C-N 3.35Å; Q420-V422 PolarHBondContact O-N 3.27Å; V422-F425 PolarHBondContact O-N 3.17Å; V422-L426 HydrophobicContact CG1-CD1 3.79Å; V422-L426 HydrophobicContact CG1-CG 4.22Å; V422-L426 VanDerWaalsContact O-CB 3.31Å; V422-L426 WeakPolarHBondContact O-CB 3.22Å; V422-L426 WeakPolarHBondContact O-CG 3.27Å; V422-L426 PolarHBondContact O-N 3.5Å
423	L	79.7	Confident	69	Low	106 Å²	106	105.3 Å²	105.3	56%	0.555	53%	0.533	S	S	*	.	H	α-helix	trans	-64.9	-44.6	175.1	-74.2	171.8	0	0	0	111.1	I419 Q420 F425 L426 W427	I419-L423 HydrophobicContact CG2-CD1 3.69Å; I419-L423 HydrophobicContact CG2-CG 4.14Å; I419-L423 WeakPolarHBondContact O-CB 3.13Å; I419-L423 VanDerWaalsContact O-CG 3.23Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.17Å; Q420-L423 PolarHBondContact O-N 3.08Å; L423-F425 VanDerWaalsContact C-N 3.33Å; L423-F425 PolarHBondContact O-N 2.91Å; L423-L426 PolarHBondContact O-N 3.43Å; L423-W427 VanDerWaalsContact O-CB 3.24Å; L423-W427 WeakPolarHBondContact O-CB 3.21Å; L423-W427 PolarHBondContact O-N 3.02Å
424	E	77.5	Confident	69	Low	105 Å²	105	109.1 Å²	109.1	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-61.8	-40.2	175.8	-74.6	172.6	-167.8	0	0	111.4	Q420 H421 W427 A428	Q420-E424 HydrophobicContact CG-CG 4.44Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.24Å; Q420-E424 PolarHBondContact NE2-OE1 3.39Å; Q420-E424 WeakPolarHBondContact O-CB 3.35Å; Q420-E424 WeakPolarHBondContact O-CG 2.94Å; Q420-E424 PolarHBondContact O-N 3.38Å; H421-E424 PolarHBondContact O-N 3.05Å; E424-W427 PolarHBondContact O-N 2.84Å; E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 2.87Å
425	F	81.2	Confident	69.8	Low	151 Å²	151	109.8 Å²	109.8	66%	0.662	56%	0.563	S	S	*	*	H	α-helix	trans	-68.2	-42.5	175.3	-176.2	-95.8	0	0	0	113.2	H421 V422 L423 W427 A428 S429	H421-F425 VanDerWaalsContact O-CB 3.27Å; H421-F425 WeakPolarHBondContact O-CB 3.49Å; H421-F425 PolarHBondContact O-N 3.3Å; V422-F425 PolarHBondContact O-N 3.17Å; L423-F425 VanDerWaalsContact C-N 3.33Å; L423-F425 PolarHBondContact O-N 2.91Å; F425-W427 VanDerWaalsContact C-N 3.33Å; F425-A428 PolarHBondContact O-N 3.11Å; F425-S429 PolarHBondContact O-N 3.1Å; F425-S429 PolarHBondContact O-OG 3.32Å
426	L	73.4	Confident	70.2	Confident	93 Å²	93	110.3 Å²	110.3	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-65.9	-37.9	175.6	-73.5	172.8	0	0	0	111.4	V422 L423 S429 T430	V422-L426 HydrophobicContact CG1-CD1 3.79Å; V422-L426 HydrophobicContact CG1-CG 4.22Å; V422-L426 VanDerWaalsContact O-CB 3.31Å; V422-L426 WeakPolarHBondContact O-CB 3.22Å; V422-L426 WeakPolarHBondContact O-CG 3.27Å; V422-L426 PolarHBondContact O-N 3.5Å; L423-L426 PolarHBondContact O-N 3.43Å; L426-S429 WeakPolarHBondContact CA-OG 3.44Å; L426-S429 PolarHBondContact O-N 3.36Å; L426-S429 PolarHBondContact O-OG 2.93Å; L426-T430 WeakPolarHBondContact O-CG2 3.43Å; L426-T430 PolarHBondContact O-N 3.26Å; L426-T430 PolarHBondContact O-OG1 3.28Å
427	W	74.3	Confident	70.2	Confident	182 Å²	182	111.4 Å²	111.4	69%	0.689	57%	0.57	S	S	*	*	H	α-helix	trans	-68.8	-41.8	177.5	-146.7	71.6	0	0	0	111.5	L423 E424 F425 T430 L431	L423-W427 VanDerWaalsContact O-CB 3.24Å; L423-W427 WeakPolarHBondContact O-CB 3.21Å; L423-W427 PolarHBondContact O-N 3.02Å; E424-W427 PolarHBondContact O-N 2.84Å; F425-W427 VanDerWaalsContact C-N 3.33Å; W427-T430 WeakPolarHBondContact CA-OG1 3.47Å; W427-T430 PolarHBondContact O-N 3.45Å; W427-T430 PolarHBondContact O-OG1 2.87Å; W427-L431 HydrophobicContact CE3-CD1 3.85Å; W427-L431 HydrophobicContact CZ3-CD1 3.85Å; W427-L431 PolarHBondContact O-N 2.73Å
428	A	70.2	Confident	70.1	Confident	53 Å²	53	112.9 Å²	112.9	44%	0.438	58%	0.578	S	S	.	*	H	α-helix	trans	-61.6	-42	173.7	0	0	0	0	0	112.4	E424 F425 L431	E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 2.87Å; F425-A428 PolarHBondContact O-N 3.11Å; A428-L431 PolarHBondContact O-N 3.18Å
429	S	69.4	Low	69.9	Low	43 Å²	43	114 Å²	114	30%	0.301	58%	0.583	S	S	.	*	H	α-helix	trans	-71.8	-29.1	178.2	47.4	0	0	0	0	113.7	F425 L426 L431 E432	F425-S429 PolarHBondContact O-N 3.1Å; F425-S429 PolarHBondContact O-OG 3.32Å; L426-S429 WeakPolarHBondContact CA-OG 3.44Å; L426-S429 PolarHBondContact O-N 3.36Å; L426-S429 PolarHBondContact O-OG 2.93Å; S429-L431 VanDerWaalsContact C-N 3.31Å; S429-L431 PolarHBondContact O-N 2.94Å; S429-E432 PolarHBondContact O-N 3.19Å
430	T	68.9	Low	69.3	Low	82 Å²	82	116.3 Å²	116.3	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-68.9	-28.6	172.6	47.6	0	0	0	0	113.6	L426 W427 E432 M433	L426-T430 WeakPolarHBondContact O-CG2 3.43Å; L426-T430 PolarHBondContact O-N 3.26Å; L426-T430 PolarHBondContact O-OG1 3.28Å; W427-T430 WeakPolarHBondContact CA-OG1 3.47Å; W427-T430 PolarHBondContact O-N 3.45Å; W427-T430 PolarHBondContact O-OG1 2.87Å; T430-E432 VanDerWaalsContact C-N 3.33Å; T430-M433 PolarHBondContact O-N 2.8Å
431	L	60.2	Low	68.6	Low	100 Å²	100	116.7 Å²	116.7	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-72.8	-23.5	176.4	-84.3	155.9	0	0	0	113	W427 A428 S429 M433	W427-L431 HydrophobicContact CE3-CD1 3.85Å; W427-L431 HydrophobicContact CZ3-CD1 3.85Å; W427-L431 PolarHBondContact O-N 2.73Å; A428-L431 PolarHBondContact O-N 3.18Å; S429-L431 VanDerWaalsContact C-N 3.31Å; S429-L431 PolarHBondContact O-N 2.94Å; L431-M433 VanDerWaalsContact C-N 3.32Å
432	E	54.4	Low	68.1	Low	177 Å²	177	116.4 Å²	116.4	83%	0.827	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-11.8	173.9	-72.9	-176.6	166.7	0	0	113.3	S429 T430	S429-E432 PolarHBondContact O-N 3.19Å; T430-E432 VanDerWaalsContact C-N 3.33Å
433	M	48.1	Very low	67.1	Low	176 Å²	176	119.5 Å²	119.5	87%	0.867	61%	0.614	S	S	*	*			trans	-101.4	-4.9	179.9	-74.4	-162.5	70.2	0	0	114.8	T430 L431	T430-M433 PolarHBondContact O-N 2.8Å; L431-M433 VanDerWaalsContact C-N 3.32Å
434	T	48	Very low	66	Low	166 Å²	166	120.7 Å²	120.7	100%	1.018	62%	0.619	S	S	*	*			trans	-109.4	0	173.6	55.6	0	0	0	0	110.5

Retrieved 434 of 434 residues in 128.1 ms (Link to these results)

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