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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 A0A060VSM8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene osgepl1, Length 411 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	34.4	Very low	30.7	Very low	225 Å²	225	151.5 Å²	151.5	100%	1.108	83%	0.832	S	S	*	*				0	122	0	-137.7	171.4	-166.9	0	0	106.5
2	F	32.8	Very low	30.7	Very low	193 Å²	193	151.1 Å²	151.1	85%	0.846	84%	0.838	S	S	*	*			trans	67.3	95.7	-177.4	-61.4	-84.2	0	0	0	115.6
3	A	32.3	Very low	30.8	Very low	88 Å²	88	157.3 Å²	157.3	73%	0.727	84%	0.841	S	S	*	*				63.3	132.3	78.4	0	0	0	0	0	114.7
4	Y	31.3	Very low	31.3	Very low	232 Å²	232	157.9 Å²	157.9	91%	0.91	84%	0.839	S	S	*	*			cis	-157.1	124.4	-17.9	-134.8	-90	0	0	0	103.5
5	K	32.2	Very low	31.4	Very low	207 Å²	207	161.1 Å²	161.1	90%	0.9	84%	0.843	S	S	*	*			trans	-102.3	138	172.7	-92.3	-177.8	176.3	177.1	0	109.8
6	A	33.8	Very low	31.4	Very low	99 Å²	99	166.2 Å²	166.2	82%	0.818	85%	0.848	S	S	*	*			trans	-62.6	150.2	168.9	0	0	0	0	0	112.1
7	S	28.6	Very low	31.9	Very low	115 Å²	115	162.4 Å²	162.4	80%	0.804	85%	0.847	S	S	*	*			trans	161.2	145.5	134.1	-177.3	0	0	0	0	112.7
8	A	28.5	Very low	32.3	Very low	76 Å²	76	164.1 Å²	164.1	63%	0.628	85%	0.847	S	S	*	*			trans	78.6	107.5	145	0	0	0	0	0	120.7
9	Q	28.2	Very low	32.7	Very low	172 Å²	172	164.2 Å²	164.2	80%	0.804	85%	0.847	S	S	*	*				57	140.5	110.9	-73.9	-173.3	-18	0	0	120.9
10	Q	28.6	Very low	32.8	Very low	190 Å²	190	164.9 Å²	164.9	89%	0.888	85%	0.851	S	S	*	*			trans	97.3	130.9	154.3	-71.7	167.5	6.2	0	0	118.3
11	G	26.5	Very low	33.2	Very low	70 Å²	70	162.7 Å²	162.7	72%	0.722	85%	0.85	S	S	*	*			trans	116.2	107.5	-177.7	0	0	0	0	0	109.3
12	T	31.5	Very low	33.3	Very low	146 Å²	146	161.4 Å²	161.4	90%	0.896	84%	0.838	S	S	*	*			cis	-163.9	122.4	31.7	-23.8	0	0	0	0	108.2
13	R	31.6	Very low	33.4	Very low	232 Å²	232	158.3 Å²	158.3	88%	0.875	84%	0.839	S	S	*	*			trans	-78.4	148.2	169.8	-103.7	178.2	171.6	-179.1	-2.7	109.3
14	M	37.3	Very low	33.6	Very low	166 Å²	166	158.9 Å²	158.9	82%	0.818	84%	0.844	S	S	*	*			trans	68	100.5	165.7	-71.2	-169.5	-78.4	0	0	116.2
15	F	33.5	Very low	33.9	Very low	205 Å²	205	157.2 Å²	157.2	90%	0.899	84%	0.842	S	S	*	*				178.8	101.6	119.3	-105.9	-81.5	0	0	0	108.3
16	R	32	Very low	34.2	Very low	243 Å²	243	158.5 Å²	158.5	92%	0.917	84%	0.841	S	S	*	*			trans	158.6	70.5	149.7	-89.1	174.1	172.4	-168.9	-1.8	110.7	K18	R16-K18 PolarHBondContact O-N 3.4Å
17	A	39.5	Very low	34.4	Very low	102 Å²	102	163.5 Å²	163.5	84%	0.843	84%	0.839	S	S	*	*			trans	-83	93	156.2	0	0	0	0	0	108
18	K	39.6	Very low	35	Very low	192 Å²	192	167.5 Å²	167.5	84%	0.835	84%	0.842	S	S	*	*			trans	169.7	137.1	155.6	-99.7	166.8	-178.4	179.5	0	107.6	R16	R16-K18 PolarHBondContact O-N 3.4Å
19	I	38.8	Very low	35.8	Very low	167 Å²	167	170 Å²	170	86%	0.856	84%	0.842	S	S	*	*			trans	87.1	81.9	-174.6	-46.5	162.2	0	0	0	112.3
20	L	35.6	Very low	37.3	Very low	178 Å²	178	166.7 Å²	166.7	93%	0.932	84%	0.838	S	S	*	*			trans	-167.8	63.3	141.8	-94.7	169.7	0	0	0	107.1
21	S	40.8	Very low	39.7	Very low	119 Å²	119	159.2 Å²	159.2	83%	0.832	81%	0.807	S	S	*	*			trans	-124.9	31	175.4	178.8	0	0	0	0	111.4
22	K	35.8	Very low	42.8	Very low	197 Å²	197	161.6 Å²	161.6	86%	0.857	79%	0.794	S	S	*	*	S	Bend	trans	-140.1	131.9	174.3	-79.2	-174	175.2	178.1	0	110.5
23	C	35.6	Very low	46	Very low	128 Å²	128	155.5 Å²	155.5	87%	0.865	76%	0.756	S	S	*	*			trans	75.1	63.1	170.4	-72.8	0	0	0	0	117.9
24	A	36.6	Very low	49.1	Very low	101 Å²	101	144.5 Å²	144.5	84%	0.835	71%	0.714	S	S	*	*			trans	-108.5	54.3	140.4	0	0	0	0	0	109.3	R26	A24-R26 PolarHBondContact O-N 2.92Å
25	F	37.3	Very low	52.1	Low	197 Å²	197	136.6 Å²	136.6	86%	0.864	68%	0.675	S	S	*	*			trans	-75.1	72.8	162.3	-135.3	-91.4	0	0	0	106.5	R27	F25-R27 VanDerWaalsContact C-N 3.26Å; F25-R27 PolarHBondContact O-N 2.91Å
26	R	38.3	Very low	55.2	Low	233 Å²	233	126.8 Å²	126.8	88%	0.879	63%	0.633	S	S	*	*			trans	-59.6	103.9	157.2	-93.4	-176.3	172.9	-174.5	-2.2	104.1	A24 K28	A24-R26 PolarHBondContact O-N 2.92Å; R26-K28 PolarHBondContact O-N 2.76Å
27	R	38.3	Very low	58.4	Low	204 Å²	204	115.3 Å²	115.3	77%	0.77	59%	0.589	S	S	*	*			trans	-52.9	99.2	164	-160.1	174.7	95.6	161.8	6.8	104.6	F25 M29	F25-R27 VanDerWaalsContact C-N 3.26Å; F25-R27 PolarHBondContact O-N 2.91Å; R27-M29 PolarHBondContact O-N 2.89Å
28	K	40.5	Very low	61.2	Low	199 Å²	199	110.4 Å²	110.4	87%	0.865	55%	0.549	S	S	*	.			trans	-58.7	98.7	171.1	-160.4	179	-173	-176.7	0	102.3	R26 S30	R26-K28 PolarHBondContact O-N 2.76Å; K28-S30 VanDerWaalsContact C-N 3.34Å; K28-S30 PolarHBondContact O-N 2.79Å
29	M	45.9	Very low	64	Low	129 Å²	129	101.3 Å²	101.3	64%	0.635	51%	0.509	S	S	*	.			trans	-55.3	113.8	170.7	-73.6	-132.5	-52	0	0	103.6	R27 S31	R27-M29 PolarHBondContact O-N 2.89Å; M29-S31 PolarHBondContact O-N 3.24Å
30	S	59.9	Low	66.7	Low	103 Å²	103	93.5 Å²	93.5	72%	0.72	47%	0.469	S	S	*	.			trans	-64.4	99	174.9	-175.6	0	0	0	0	104.4	K28 R32	K28-S30 VanDerWaalsContact C-N 3.34Å; K28-S30 PolarHBondContact O-N 2.79Å; S30-R32 PolarHBondContact O-N 2.83Å
31	S	78.3	Confident	69.5	Low	33 Å²	33	86.5 Å²	86.5	23%	0.231	44%	0.435	C	S	.	.			trans	-51.9	128.2	176.2	-178.9	0	0	0	0	107.5	M29 L33 D50	M29-S31 PolarHBondContact O-N 3.24Å; S31-L33 WeakPolarHBondContact O-CG 3.35Å; S31-L33 PolarHBondContact O-N 3.3Å; S31-D50 WeakPolarHBondContact OG-CB 3.38Å
32	R	92	Very high	72	Confident	120 Å²	120	81.8 Å²	81.8	45%	0.453	40%	0.401	S	S	.	.			trans	-69.4	115.9	178.3	-67	177.1	-179.6	179.4	0.7	108.5	S30 E51 S105 L366	S30-R32 PolarHBondContact O-N 2.83Å; R32-E51 HydrophobicContact CB-CB 4.29Å; R32-E51 WeakPolarHBondContact CB-OE2 3.41Å; R32-E51 WeakPolarHBondContact CG-OE2 3.39Å; R32-E51 PolarHBondContact N-OE2 3.08Å; R32-E51 PolarHBondContact O-N 2.59Å; R32-S105 WeakPolarHBondContact CA-OG 3.49Å; R32-L366 HydrophobicContact CB-CD1 4.39Å; R32-L366 PolarHBondContact NH1-O 2.94Å
33	L	97.9	Very high	74.8	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.094	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.4	-178.7	-56.6	-177.1	0	0	0	110.6	S31 M49 D50 L56 V99 Q103 L104 S105 A106	S31-L33 WeakPolarHBondContact O-CG 3.35Å; S31-L33 PolarHBondContact O-N 3.3Å; L33-M49 CarbonylContact C-O 3.56Å; L33-M49 WeakPolarHBondContact CA-O 3.44Å; L33-D50 HydrophobicContact CD2-CB 3.68Å; L33-L56 HydrophobicContact CD1-CD1 4.41Å; L33-L56 HydrophobicContact CD2-CD1 3.6Å; L33-V99 HydrophobicContact CD1-CB 4.35Å; L33-V99 HydrophobicContact CD1-CG1 3.56Å; L33-V99 HydrophobicContact CD1-CG2 3.73Å; L33-Q103 HydrophobicContact CD1-CB 4.34Å; L33-L104 HydrophobicContact CB-CD2 4.27Å; L33-S105 PolarHBondContact N-OG 3.02Å; L33-S105 WeakPolarHBondContact O-CA 3.4Å; L33-S105 WeakPolarHBondContact O-CB 3.12Å; L33-S105 PolarHBondContact O-N 2.85Å; L33-A106 PolarHBondContact O-N 2.83Å
34	V	98.5	Very high	77.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.9	178.7	179.7	0	0	0	0	109.8	V48 M49 A108 V363 L366	V34-V48 WeakPolarHBondContact O-CA 3.36Å; V34-M49 PolarHBondContact N-O 2.73Å; V34-M49 PolarHBondContact O-N 3.34Å; V34-A108 HydrophobicContact CG1-CB 3.78Å; V34-V363 HydrophobicContact CB-CG2 3.93Å; V34-V363 HydrophobicContact CG2-CG2 3.65Å; V34-L366 HydrophobicContact CG2-CD1 3.38Å; V34-L366 HydrophobicContact CG2-CG 4.29Å
35	L	98.8	Very high	80.8	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117	165.1	172.1	63.3	0	0	0	108.7	I37 A46 A47 V48 V90 M94 L104 A106 V107 A108 F129	L35-I37 HydrophobicContact CD2-CD1 4.18Å; L35-I37 HydrophobicContact CG-CD1 4.36Å; L35-I37 HydrophobicContact CG-CG1 4.2Å; L35-A46 HydrophobicContact CD1-CB 4.46Å; L35-A47 CarbonylContact C-O 3.55Å; L35-A47 WeakPolarHBondContact CA-O 3.42Å; L35-V48 HydrophobicContact CD1-CG2 3.98Å; L35-V90 HydrophobicContact CD1-CG1 4.5Å; L35-V90 HydrophobicContact CD2-CG1 3.96Å; L35-M94 HydrophobicContact CD1-SD 4.21Å; L35-M94 HydrophobicContact CD2-SD 4.18Å; L35-L104 HydrophobicContact CB-CD1 3.91Å; L35-L104 HydrophobicContact CB-CD2 4.08Å; L35-L104 HydrophobicContact CD2-CD1 4.21Å; L35-A106 PolarHBondContact N-O 3.27Å; L35-V107 HydrophobicContact CB-CG2 4.38Å; L35-V107 HydrophobicContact CD2-CG1 4.34Å; L35-V107 HydrophobicContact CD2-CG2 4.33Å; L35-V107 HydrophobicContact CG-CG1 4.44Å; L35-V107 CarbonylContact O-C 3.54Å; L35-V107 WeakPolarHBondContact O-CA 3.13Å; L35-A108 PolarHBondContact O-N 2.62Å; L35-F129 HydrophobicContact CD2-CE1 4.09Å; L35-F129 HydrophobicContact CD2-CE2 4.34Å; L35-F129 HydrophobicContact CD2-CZ 3.9Å
36	G	98.8	Very high	83.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.8	172.4	0	0	0	0	0	111.9	A46 A47 A108	G36-A46 CarbonylContact O-C 3.56Å; G36-A46 WeakPolarHBondContact O-CA 3.47Å; G36-A47 PolarHBondContact N-O 2.91Å; G36-A47 PolarHBondContact O-N 2.61Å; G36-A108 CarbonylContact C-O 3.54Å; G36-A108 VanDerWaalsContact CA-O 3.24Å; G36-A108 WeakPolarHBondContact CA-O 3.49Å
37	I	98.9	Very high	86.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.8	178.8	-59.2	174.1	0	0	0	110.4	L35 T39 G45 I86 V90 V107 A108 T109 T110 F125 S126	L35-I37 HydrophobicContact CD2-CD1 4.18Å; L35-I37 HydrophobicContact CG-CD1 4.36Å; L35-I37 HydrophobicContact CG-CG1 4.2Å; I37-T39 HydrophobicContact CG2-CG2 4.49Å; I37-G45 WeakPolarHBondContact CA-O 3.34Å; I37-I86 HydrophobicContact CG2-CD1 4.24Å; I37-V90 HydrophobicContact CD1-CG2 3.93Å; I37-V90 HydrophobicContact CG1-CG2 4.1Å; I37-V107 HydrophobicContact CD1-CG1 4Å; I37-A108 PolarHBondContact N-O 2.78Å; I37-T109 HydrophobicContact CB-CG2 4.22Å; I37-T109 HydrophobicContact CG2-CG2 4.36Å; I37-T109 WeakPolarHBondContact O-CA 3.42Å; I37-T110 PolarHBondContact O-N 3.18Å; I37-F125 HydrophobicContact CD1-CD1 4.1Å; I37-F125 HydrophobicContact CD1-CE1 4.23Å; I37-S126 WeakPolarHBondContact CD1-OG 3.5Å
38	E	98.7	Very high	89.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.5	-177.1	175.4	50.2	-118.5	0	0	110.7	S40 T44 G45 T110 H142 D353 M357 I358	E38-S40 WeakPolarHBondContact OE1-CA 3.45Å; E38-S40 WeakPolarHBondContact OE1-CB 3.4Å; E38-S40 PolarHBondContact OE1-N 2.79Å; E38-S40 PolarHBondContact OE1-OG 3.26Å; E38-T44 WeakPolarHBondContact O-CA 3.4Å; E38-G45 PolarHBondContact N-O 3.19Å; E38-G45 PolarHBondContact O-N 3.15Å; E38-T110 WeakPolarHBondContact OE2-CB 3.4Å; E38-T110 PolarHBondContact OE2-OG1 3.06Å; E38-H142 IonicContact OE1-CE1 2.7Å; E38-H142 IonicContact OE1-ND1 3.3Å; E38-H142 IonicContact OE2-CE1 3.82Å; E38-H142 IonicContact OE2-ND1 3.87Å; E38-H142 PolarHBondContact OE2-ND1 3.03Å; E38-D353 HydrophobicContact CG-CB 4.18Å; E38-M357 HydrophobicContact CG-CE 3.96Å; E38-M357 WeakPolarHBondContact OE2-CE 3.22Å; E38-I358 HydrophobicContact CB-CG1 3.81Å; E38-I358 HydrophobicContact CG-CG1 4.43Å; E38-I358 WeakPolarHBondContact OE2-CD1 3.4Å
39	T	98.3	Very high	92.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.			trans	-148.6	33.2	176.2	66.3	0	0	0	0	112.5	I37 T44 I86 S118 L119 G122	I37-T39 HydrophobicContact CG2-CG2 4.49Å; T39-T44 HydrophobicContact CG2-CG2 4.17Å; T39-I86 HydrophobicContact CG2-CD1 4.05Å; T39-S118 CarbonylContact O-C 3.12Å; T39-S118 WeakPolarHBondContact O-CB 3.49Å; T39-S118 PolarHBondContact OG1-O 3.22Å; T39-S118 VanDerWaalsContact OG1-O 3.06Å; T39-L119 PolarHBondContact O-N 2.94Å; T39-G122 WeakPolarHBondContact OG1-CA 3.45Å; T39-G122 PolarHBondContact OG1-N 2.88Å
40	S	96.9	Very high	94.5	Very high	3 Å²	3	17 Å²	17	2%	0.021	10%	0.095	C	C	.	.	S	Bend	trans	-72.2	-27.4	-174.8	63.6	0	0	0	0	113.5	E38 G114 L115 H142	E38-S40 WeakPolarHBondContact OE1-CA 3.45Å; E38-S40 WeakPolarHBondContact OE1-CB 3.4Å; E38-S40 PolarHBondContact OE1-N 2.79Å; E38-S40 PolarHBondContact OE1-OG 3.26Å; S40-G114 CarbonylContact O-C 3.54Å; S40-G114 WeakPolarHBondContact O-CA 3.39Å; S40-L115 PolarHBondContact O-N 2.96Å; S40-H142 PolarHBondContact OG-CE1 3.34Å; S40-H142 PolarHBondContact OG-ND1 3.5Å
41	C	93.9	Very high	96.1	Very high	31 Å²	31	14.4 Å²	14.4	21%	0.209	7%	0.072	C	C	.	.	S	Bend	trans	-137.1	-99.9	-173.3	-155.7	0	0	0	0	113.5	I73 H82 S118	C41-I73 WeakPolarHBondContact SG-CD1 3.5Å; C41-H82 PolarHBondContact O-NE2 2.65Å; C41-S118 PolarHBondContact O-OG 3.2Å
42	D	92.9	Very high	96.8	Very high	21 Å²	21	17.6 Å²	17.6	11%	0.112	9%	0.09	C	C	.	.	S	Bend	trans	-124.9	7.5	-173.6	69.6	-41.8	0	0	0	113.5	Q63 I73	D42-Q63 HydrophobicContact CB-CB 4.2Å; D42-Q63 WeakPolarHBondContact O-CB 3.46Å; D42-Q63 VanDerWaalsContact O-CD 3.31Å; D42-Q63 WeakPolarHBondContact O-CG 3.08Å; D42-Q63 PolarHBondContact O-N 3.46Å; D42-I73 HydrophobicContact CB-CD1 4Å; D42-I73 HydrophobicContact CB-CG1 4.35Å
43	E	95.4	Very high	96.8	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.019	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.8	175.5	-68.3	-69.9	169.7	0	0	109.4	L60 S62 K64 H82 D353	E43-L60 HydrophobicContact CB-CD1 4.15Å; E43-L60 WeakPolarHBondContact OE2-CD1 3.41Å; E43-L60 WeakPolarHBondContact OE2-CG 3.43Å; E43-S62 VanDerWaalsContact CD-OG 3.31Å; E43-S62 VanDerWaalsContact OE1-CB 3.25Å; E43-S62 WeakPolarHBondContact OE1-CB 3.27Å; E43-S62 PolarHBondContact OE1-OG 3.23Å; E43-S62 WeakPolarHBondContact OE2-CA 3.39Å; E43-S62 WeakPolarHBondContact OE2-CB 3.25Å; E43-S62 PolarHBondContact OE2-OG 2.57Å; E43-K64 WeakPolarHBondContact OE1-CE 3.12Å; E43-K64 IonicContact OE1-NZ 3.72Å; E43-K64 PolarHBondContact OE1-NZ 3.1Å; E43-H82 PolarHBondContact O-CE1 3.21Å; E43-H82 VanDerWaalsContact O-CE1 3.28Å; E43-D353 HydrophobicContact CB-CB 4.05Å; E43-D353 HydrophobicContact CG-CB 4.17Å
44	T	98.6	Very high	96.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	103.8	168.7	-46	0	0	0	0	107.5	E38 T39 L60 H61 H82 I86 V89	E38-T44 WeakPolarHBondContact O-CA 3.4Å; T39-T44 HydrophobicContact CG2-CG2 4.17Å; T44-L60 WeakPolarHBondContact O-CA 3.23Å; T44-H61 PolarHBondContact N-O 3.5Å; T44-H61 PolarHBondContact O-N 2.88Å; T44-H82 PolarHBondContact OG1-CE1 3.29Å; T44-H82 PolarHBondContact OG1-ND1 2.86Å; T44-I86 HydrophobicContact CG2-CB 4.14Å; T44-I86 HydrophobicContact CG2-CG1 4.44Å; T44-V89 HydrophobicContact CG2-CB 4.21Å; T44-V89 HydrophobicContact CG2-CG1 4.32Å; T44-V89 HydrophobicContact CG2-CG2 4.14Å
45	G	98.4	Very high	96.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.3	-176.6	0	0	0	0	0	112.3	I37 E38	I37-G45 WeakPolarHBondContact CA-O 3.34Å; E38-G45 PolarHBondContact N-O 3.19Å; E38-G45 PolarHBondContact O-N 3.15Å
46	A	98.9	Very high	96.6	Very high	1 Å²	1	21 Å²	21	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.5	167	0	0	0	0	0	111.1	L35 G36 E58 S59 V89 V90 A93	L35-A46 HydrophobicContact CD1-CB 4.46Å; G36-A46 CarbonylContact O-C 3.56Å; G36-A46 WeakPolarHBondContact O-CA 3.47Å; A46-E58 CarbonylContact O-C 3.47Å; A46-E58 WeakPolarHBondContact O-CA 3.49Å; A46-S59 PolarHBondContact N-O 3.08Å; A46-S59 PolarHBondContact O-N 2.93Å; A46-V89 HydrophobicContact CB-CG1 3.78Å; A46-V90 HydrophobicContact CB-CB 4.45Å; A46-V90 HydrophobicContact CB-CG2 3.85Å; A46-A93 HydrophobicContact CB-CB 3.82Å
47	A	98.8	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.6	173.9	0	0	0	0	0	112.3	L35 G36 G57 E58 V356 A359	L35-A47 CarbonylContact C-O 3.55Å; L35-A47 WeakPolarHBondContact CA-O 3.42Å; G36-A47 PolarHBondContact N-O 2.91Å; G36-A47 PolarHBondContact O-N 2.61Å; A47-G57 CarbonylContact C-O 3.58Å; A47-G57 WeakPolarHBondContact CA-O 3.5Å; A47-E58 HydrophobicContact CB-CB 3.99Å; A47-V356 HydrophobicContact CB-CB 4.28Å; A47-V356 HydrophobicContact CB-CG2 3.58Å; A47-A359 HydrophobicContact CB-CB 4.44Å
48	V	98.8	Very high	96.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.8	169.6	-176.4	0	0	0	0	108.4	V34 L35 L56 G57 M94 V99 L104	V34-V48 WeakPolarHBondContact O-CA 3.36Å; L35-V48 HydrophobicContact CD1-CG2 3.98Å; V48-L56 HydrophobicContact CG1-CB 4.42Å; V48-L56 HydrophobicContact CG1-CD1 4.28Å; V48-L56 PolarHBondContact O-N 2.91Å; V48-G57 PolarHBondContact N-O 3Å; V48-G57 PolarHBondContact O-N 3.22Å; V48-M94 HydrophobicContact CG2-SD 3.54Å; V48-M94 VanDerWaalsContact CG2-SD 3.54Å; V48-V99 HydrophobicContact CG1-CB 4.48Å; V48-V99 HydrophobicContact CG1-CG2 4.22Å; V48-L104 HydrophobicContact CG1-CD2 4.18Å
49	M	97.3	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.6	-178.6	-69.8	-167.4	75.7	0	0	112	L33 V34 G53 L54 I55 M152 V356 A359 W360 V363	L33-M49 CarbonylContact C-O 3.56Å; L33-M49 WeakPolarHBondContact CA-O 3.44Å; V34-M49 PolarHBondContact N-O 2.73Å; V34-M49 PolarHBondContact O-N 3.34Å; M49-G53 VanDerWaalsContact CE-C 3.5Å; M49-G53 WeakPolarHBondContact CE-O 3.3Å; M49-L54 WeakPolarHBondContact CA-O 3.25Å; M49-I55 HydrophobicContact CE-CG1 3.98Å; M49-I55 HydrophobicContact CG-CG1 4.39Å; M49-I55 HydrophobicContact SD-CG1 4.43Å; M49-M152 HydrophobicContact CE-CG 3.76Å; M49-M152 HydrophobicContact CE-SD 3.22Å; M49-M152 WeakPolarHBondContact CE-SD 3.36Å; M49-M152 HydrophobicContact SD-SD 4.02Å; M49-V356 HydrophobicContact CE-CG1 4.26Å; M49-V356 HydrophobicContact SD-CB 4.4Å; M49-V356 HydrophobicContact SD-CG1 3.64Å; M49-V356 VanDerWaalsContact SD-O 3.39Å; M49-A359 HydrophobicContact CB-CB 3.96Å; M49-A359 HydrophobicContact CG-CB 3.69Å; M49-A359 HydrophobicContact SD-CB 3.8Å; M49-W360 HydrophobicContact CE-CB 4.5Å; M49-W360 HydrophobicContact CE-CE3 4.17Å; M49-W360 HydrophobicContact SD-CB 4.01Å; M49-V363 HydrophobicContact CB-CG2 4.47Å
50	D	95.4	Very high	96.5	Very high	19 Å²	19	29 Å²	29	10%	0.102	16%	0.161	C	C	.	.			trans	-101.3	171.6	175.3	92.8	-12.4	0	0	0	112.5	S31 L33 T52 G53 L54 L56	S31-D50 WeakPolarHBondContact OG-CB 3.38Å; L33-D50 HydrophobicContact CD2-CB 3.68Å; D50-T52 PolarHBondContact O-N 2.8Å; D50-T52 WeakPolarHBondContact OD1-CA 3.44Å; D50-T52 WeakPolarHBondContact OD1-CB 3.35Å; D50-T52 PolarHBondContact OD1-N 2.73Å; D50-T52 PolarHBondContact OD1-OG1 3.04Å; D50-T52 PolarHBondContact OD2-OG1 3.41Å; D50-G53 PolarHBondContact O-N 2.9Å; D50-G53 VanDerWaalsContact O-N 3.15Å; D50-G53 PolarHBondContact OD1-N 3.41Å; D50-L54 PolarHBondContact N-O 3.17Å; D50-L54 VanDerWaalsContact N-O 3.1Å; D50-L54 WeakPolarHBondContact OD1-CB 3.28Å; D50-L54 PolarHBondContact OD1-N 3.13Å; D50-L56 HydrophobicContact CB-CD1 4.32Å
51	E	93.2	Very high	96.5	Very high	50 Å²	50	31.2 Å²	31.2	23%	0.234	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	6.5	-179.2	76.7	-164.8	-170.6	0	0	114.6	R32 R367	R32-E51 HydrophobicContact CB-CB 4.29Å; R32-E51 WeakPolarHBondContact CB-OE2 3.41Å; R32-E51 WeakPolarHBondContact CG-OE2 3.39Å; R32-E51 PolarHBondContact N-OE2 3.08Å; R32-E51 PolarHBondContact O-N 2.59Å; E51-R367 PolarHBondContact O-NH2 3.06Å
52	T	92.4	Very high	96.5	Very high	99 Å²	99	32 Å²	32	61%	0.607	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-11.7	172.4	73	0	0	0	0	112.2	D50	D50-T52 PolarHBondContact O-N 2.8Å; D50-T52 WeakPolarHBondContact OD1-CA 3.44Å; D50-T52 WeakPolarHBondContact OD1-CB 3.35Å; D50-T52 PolarHBondContact OD1-N 2.73Å; D50-T52 PolarHBondContact OD1-OG1 3.04Å; D50-T52 PolarHBondContact OD2-OG1 3.41Å
53	G	92.1	Very high	96.5	Very high	14 Å²	14	31 Å²	31	14%	0.144	17%	0.171	C	C	.	.	S	Bend	trans	94.2	9.4	-171.6	0	0	0	0	0	113.1	M49 D50 I55	M49-G53 VanDerWaalsContact CE-C 3.5Å; M49-G53 WeakPolarHBondContact CE-O 3.3Å; D50-G53 PolarHBondContact O-N 2.9Å; D50-G53 VanDerWaalsContact O-N 3.15Å; D50-G53 PolarHBondContact OD1-N 3.41Å; G53-I55 PolarHBondContact O-N 3.18Å
54	L	95.6	Very high	95.9	Very high	96 Å²	96	35 Å²	35	50%	0.503	19%	0.189	S	C	.	.			trans	-73.3	126.9	174.1	-177.4	63	0	0	0	109.8	M49 D50 L56	M49-L54 WeakPolarHBondContact CA-O 3.25Å; D50-L54 PolarHBondContact N-O 3.17Å; D50-L54 VanDerWaalsContact N-O 3.1Å; D50-L54 WeakPolarHBondContact OD1-CB 3.28Å; D50-L54 PolarHBondContact OD1-N 3.13Å; L54-L56 HydrophobicContact CD2-CD2 3.78Å; L54-L56 HydrophobicContact CG-CD2 4.06Å; L54-L56 PolarHBondContact O-N 3.25Å
55	I	97.8	Very high	95.2	Very high	45 Å²	45	40.5 Å²	40.5	23%	0.231	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110.8	171.7	-56.5	165.8	0	0	0	107.3	M49 G53 E58 F350 V356	M49-I55 HydrophobicContact CE-CG1 3.98Å; M49-I55 HydrophobicContact CG-CG1 4.39Å; M49-I55 HydrophobicContact SD-CG1 4.43Å; G53-I55 PolarHBondContact O-N 3.18Å; I55-E58 HydrophobicContact CG2-CB 4.12Å; I55-E58 HydrophobicContact CG2-CG 4.28Å; I55-F350 HydrophobicContact CD1-CE1 3.76Å; I55-F350 HydrophobicContact CD1-CZ 3.53Å; I55-V356 HydrophobicContact CD1-CG1 3.78Å; I55-V356 HydrophobicContact CD1-CG2 3.92Å; I55-V356 HydrophobicContact CG1-CG1 3.99Å; I55-V356 HydrophobicContact CG1-CG2 4.2Å; I55-V356 HydrophobicContact CG2-CG2 4.27Å
56	L	98.1	Very high	94.7	Very high	54 Å²	54	43.3 Å²	43.3	28%	0.283	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-38	178.9	-61.5	177.9	0	0	0	111	L33 V48 D50 L54 S97 V99	L33-L56 HydrophobicContact CD1-CD1 4.41Å; L33-L56 HydrophobicContact CD2-CD1 3.6Å; V48-L56 HydrophobicContact CG1-CB 4.42Å; V48-L56 HydrophobicContact CG1-CD1 4.28Å; V48-L56 PolarHBondContact O-N 2.91Å; D50-L56 HydrophobicContact CB-CD1 4.32Å; L54-L56 HydrophobicContact CD2-CD2 3.78Å; L54-L56 HydrophobicContact CG-CD2 4.06Å; L54-L56 PolarHBondContact O-N 3.25Å; L56-S97 WeakPolarHBondContact O-CA 3.5Å; L56-V99 HydrophobicContact CD1-CG2 3.99Å
57	G	98.3	Very high	93.9	Very high	5 Å²	5	43.6 Å²	43.6	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	143.5	174.6	0	0	0	0	0	110.9	A47 V48	A47-G57 CarbonylContact C-O 3.58Å; A47-G57 WeakPolarHBondContact CA-O 3.5Å; V48-G57 PolarHBondContact N-O 3Å; V48-G57 PolarHBondContact O-N 3.22Å
58	E	98.4	Very high	92.7	Very high	74 Å²	74	48.6 Å²	48.6	35%	0.346	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.4	175.8	65.4	-179.8	170.3	0	0	110.4	A46 A47 I55 R96 V356	A46-E58 CarbonylContact O-C 3.47Å; A46-E58 WeakPolarHBondContact O-CA 3.49Å; A47-E58 HydrophobicContact CB-CB 3.99Å; I55-E58 HydrophobicContact CG2-CB 4.12Å; I55-E58 HydrophobicContact CG2-CG 4.28Å; E58-R96 WeakPolarHBondContact O-CD 3.3Å; E58-R96 PolarHBondContact O-NH1 3.33Å; E58-V356 HydrophobicContact CB-CG2 4.23Å; E58-V356 WeakPolarHBondContact OE2-CG2 3.46Å
59	S	98.4	Very high	91.6	Very high	7 Å²	7	56.2 Å²	56.2	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148	167.2	-173.2	0	0	0	0	109.9	A46 V89 E92	A46-S59 PolarHBondContact N-O 3.08Å; A46-S59 PolarHBondContact O-N 2.93Å; S59-V89 WeakPolarHBondContact CB-O 3.22Å; S59-E92 PolarHBondContact OG-OE2 3.22Å
60	L	97.8	Very high	90.5	Very high	84 Å²	84	59.6 Å²	59.6	44%	0.44	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.7	-177.2	-173.4	70.4	0	0	0	109.1	E43 T44	E43-L60 HydrophobicContact CB-CD1 4.15Å; E43-L60 WeakPolarHBondContact OE2-CD1 3.41Å; E43-L60 WeakPolarHBondContact OE2-CG 3.43Å; T44-L60 WeakPolarHBondContact O-CA 3.23Å
61	H	97	Very high	89.2	Confident	49 Å²	49	60.6 Å²	60.6	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.7	167.4	-179.7	80.4	0	0	0	109.8	T44 N85 R88 V89	T44-H61 PolarHBondContact N-O 3.5Å; T44-H61 PolarHBondContact O-N 2.88Å; H61-N85 HydrophobicContact CB-CB 4.27Å; H61-N85 VanDerWaalsContact CD2-CG 3.41Å; H61-N85 PolarHBondContact CD2-ND2 3.04Å; H61-N85 PolarHBondContact ND1-OD1 3.32Å; H61-N85 PolarHBondContact NE2-ND2 3.48Å; H61-R88 PolarHBondContact ND1-NH2 2.94Å; H61-V89 HydrophobicContact CB-CG2 3.73Å
62	S	94	Very high	88.4	Confident	48 Å²	48	59.8 Å²	59.8	34%	0.336	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.1	-178.7	-173.2	0	0	0	0	111.9	E43 K64	E43-S62 VanDerWaalsContact CD-OG 3.31Å; E43-S62 VanDerWaalsContact OE1-CB 3.25Å; E43-S62 WeakPolarHBondContact OE1-CB 3.27Å; E43-S62 PolarHBondContact OE1-OG 3.23Å; E43-S62 WeakPolarHBondContact OE2-CA 3.39Å; E43-S62 WeakPolarHBondContact OE2-CB 3.25Å; E43-S62 PolarHBondContact OE2-OG 2.57Å; S62-K64 WeakPolarHBondContact OG-CG 3.37Å; S62-K64 PolarHBondContact OG-N 2.84Å
63	Q	92.1	Very high	88	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	32%	0.319	C	S	.	.			trans	-94.7	5.1	177.5	-52.5	166.2	17.6	0	0	112.4	D42 E65 V66 H67 A78 L81 H82	D42-Q63 HydrophobicContact CB-CB 4.2Å; D42-Q63 WeakPolarHBondContact O-CB 3.46Å; D42-Q63 VanDerWaalsContact O-CD 3.31Å; D42-Q63 WeakPolarHBondContact O-CG 3.08Å; D42-Q63 PolarHBondContact O-N 3.46Å; Q63-E65 VanDerWaalsContact C-N 3.31Å; Q63-E65 PolarHBondContact O-N 2.94Å; Q63-V66 WeakPolarHBondContact O-CB 3.45Å; Q63-V66 PolarHBondContact O-N 3.26Å; Q63-H67 PolarHBondContact O-N 2.93Å; Q63-H67 VanDerWaalsContact O-N 3.1Å; Q63-H67 PolarHBondContact OE1-NE2 3.31Å; Q63-A78 PolarHBondContact NE2-O 2.9Å; Q63-L81 HydrophobicContact CB-CD1 3.89Å; Q63-L81 HydrophobicContact CG-CB 3.89Å; Q63-L81 HydrophobicContact CG-CD1 3.68Å; Q63-L81 HydrophobicContact CG-CG 4.43Å; Q63-H82 PolarHBondContact NE2-CE1 2.7Å; Q63-H82 VanDerWaalsContact NE2-CE1 3.25Å; Q63-H82 PolarHBondContact NE2-ND1 3.1Å; Q63-H82 PolarHBondContact NE2-NE2 3.38Å
64	K	83.7	Confident	88	Confident	87 Å²	87	61 Å²	61	38%	0.378	33%	0.328	S	S	.	.	H	α-helix	trans	-51.8	-44.7	-175.1	-77.4	175.4	178.6	124.4	0	113.3	E43 S62 V66 H67 M68	E43-K64 WeakPolarHBondContact OE1-CE 3.12Å; E43-K64 IonicContact OE1-NZ 3.72Å; E43-K64 PolarHBondContact OE1-NZ 3.1Å; S62-K64 WeakPolarHBondContact OG-CG 3.37Å; S62-K64 PolarHBondContact OG-N 2.84Å; K64-V66 VanDerWaalsContact C-N 3.3Å; K64-V66 PolarHBondContact O-N 3.47Å; K64-H67 PolarHBondContact O-N 3.43Å; K64-M68 WeakPolarHBondContact O-CB 3.36Å; K64-M68 VanDerWaalsContact O-CG 3.25Å; K64-M68 WeakPolarHBondContact O-CG 3.48Å; K64-M68 PolarHBondContact O-N 2.77Å
65	E	83.7	Confident	87.8	Confident	116 Å²	116	59.2 Å²	59.2	54%	0.542	32%	0.323	S	S	.	.	H	α-helix	trans	-62	-39.1	-179.3	-162.5	-163	144.9	0	0	112.2	Q63 K69	Q63-E65 VanDerWaalsContact C-N 3.31Å; Q63-E65 PolarHBondContact O-N 2.94Å; E65-K69 WeakPolarHBondContact O-CG 3.2Å; E65-K69 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact OE1-CE 3.42Å; E65-K69 IonicContact OE1-NZ 3.9Å; E65-K69 PolarHBondContact OE1-NZ 3.4Å
66	V	86.5	Confident	87.7	Confident	60 Å²	60	61.3 Å²	61.3	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-46.9	178.2	-179.2	0	0	0	0	110	Q63 K64 K69 T70 V77 L81	Q63-V66 WeakPolarHBondContact O-CB 3.45Å; Q63-V66 PolarHBondContact O-N 3.26Å; K64-V66 VanDerWaalsContact C-N 3.3Å; K64-V66 PolarHBondContact O-N 3.47Å; V66-K69 PolarHBondContact O-N 2.79Å; V66-T70 PolarHBondContact O-N 2.88Å; V66-V77 HydrophobicContact CG1-CG1 3.93Å; V66-L81 HydrophobicContact CB-CD1 4.23Å; V66-L81 HydrophobicContact CG1-CD1 4.16Å; V66-L81 HydrophobicContact CG2-CD1 4.11Å
67	H	82.4	Confident	87.6	Confident	7 Å²	7	60.2 Å²	60.2	3%	0.032	33%	0.333	C	S	.	.	H	α-helix	trans	-76.8	-25.5	-176.1	-70.9	-51.3	0	0	0	114.3	Q63 K64 K69 T70 G71 G72 I73 I74	Q63-H67 PolarHBondContact O-N 2.93Å; Q63-H67 VanDerWaalsContact O-N 3.1Å; Q63-H67 PolarHBondContact OE1-NE2 3.31Å; K64-H67 PolarHBondContact O-N 3.43Å; H67-K69 VanDerWaalsContact C-N 3.33Å; H67-T70 WeakPolarHBondContact CA-OG1 3.33Å; H67-T70 PolarHBondContact O-N 2.75Å; H67-T70 PolarHBondContact O-OG1 3.44Å; H67-G71 PolarHBondContact O-N 3.28Å; H67-G71 VanDerWaalsContact O-N 3.16Å; H67-G72 PolarHBondContact ND1-O 3.09Å; H67-G72 PolarHBondContact O-N 3.13Å; H67-I73 HydrophobicContact CB-CG1 4.32Å; H67-I74 PolarHBondContact CE1-N 3.26Å; H67-I74 VanDerWaalsContact CE1-N 3.33Å; H67-I74 PolarHBondContact ND1-N 3.19Å
68	M	73.7	Confident	87.5	Confident	105 Å²	105	60 Å²	60	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-41.4	169.8	-79	-168.3	-64.7	0	0	111.3	K64 T70 G71	K64-M68 WeakPolarHBondContact O-CB 3.36Å; K64-M68 VanDerWaalsContact O-CG 3.25Å; K64-M68 WeakPolarHBondContact O-CG 3.48Å; K64-M68 PolarHBondContact O-N 2.77Å; M68-T70 VanDerWaalsContact C-N 3.27Å; M68-T70 PolarHBondContact O-N 3.23Å; M68-G71 PolarHBondContact O-N 2.95Å
69	K	76.2	Confident	87.5	Confident	160 Å²	160	58.6 Å²	58.6	70%	0.696	32%	0.324	S	S	*	.	H	α-helix	trans	-65.5	-29.8	177.7	-68.5	172.8	-171.7	168.1	0	112.7	E65 V66 H67	E65-K69 WeakPolarHBondContact O-CG 3.2Å; E65-K69 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact OE1-CE 3.42Å; E65-K69 IonicContact OE1-NZ 3.9Å; E65-K69 PolarHBondContact OE1-NZ 3.4Å; V66-K69 PolarHBondContact O-N 2.79Å; H67-K69 VanDerWaalsContact C-N 3.33Å
70	T	72.9	Confident	87.4	Confident	71 Å²	71	63.6 Å²	63.6	44%	0.436	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	1.8	179.6	58	0	0	0	0	114	V66 H67 M68 G72 I74	V66-T70 PolarHBondContact O-N 2.88Å; H67-T70 WeakPolarHBondContact CA-OG1 3.33Å; H67-T70 PolarHBondContact O-N 2.75Å; H67-T70 PolarHBondContact O-OG1 3.44Å; M68-T70 VanDerWaalsContact C-N 3.27Å; M68-T70 PolarHBondContact O-N 3.23Å; T70-G72 VanDerWaalsContact C-N 3.28Å; T70-G72 PolarHBondContact O-N 3.24Å; T70-G72 PolarHBondContact OG1-O 2.63Å; T70-I74 HydrophobicContact CG2-CD1 3.84Å
71	G	68.7	Low	87.4	Confident	40 Å²	40	60.3 Å²	60.3	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	12.9	178.9	0	0	0	0	0	115	H67 M68 R201	H67-G71 PolarHBondContact O-N 3.28Å; H67-G71 VanDerWaalsContact O-N 3.16Å; M68-G71 PolarHBondContact O-N 2.95Å; G71-R201 PolarHBondContact O-NH2 3.42Å
72	G	75.9	Confident	87.5	Confident	33 Å²	33	58 Å²	58	34%	0.34	31%	0.314	S	S	.	.	S	Bend	trans	158.2	171.8	-177.8	0	0	0	0	0	113.4	H67 T70 I74	H67-G72 PolarHBondContact ND1-O 3.09Å; H67-G72 PolarHBondContact O-N 3.13Å; T70-G72 VanDerWaalsContact C-N 3.28Å; T70-G72 PolarHBondContact O-N 3.24Å; T70-G72 PolarHBondContact OG1-O 2.63Å; G72-I74 PolarHBondContact O-N 3.21Å
73	I	85.1	Confident	87.7	Confident	73 Å²	73	62.3 Å²	62.3	37%	0.374	32%	0.323	S	S	.	.			trans	-75	122	-179.4	-58.5	173.5	0	0	0	109.7	C41 D42 H67 A78 L115	C41-I73 WeakPolarHBondContact SG-CD1 3.5Å; D42-I73 HydrophobicContact CB-CD1 4Å; D42-I73 HydrophobicContact CB-CG1 4.35Å; H67-I73 HydrophobicContact CB-CG1 4.32Å; I73-A78 HydrophobicContact CG2-CB 4.3Å; I73-L115 HydrophobicContact CG2-CD1 3.86Å
74	I	91.1	Very high	88	Confident	65 Å²	65	67.5 Å²	67.5	33%	0.333	35%	0.347	S	S	.	.			trans	-101.2	112.3	174.7	-59.3	178.3	0	0	0	108	H67 T70 G72 T76 V77 A78	H67-I74 PolarHBondContact CE1-N 3.26Å; H67-I74 VanDerWaalsContact CE1-N 3.33Å; H67-I74 PolarHBondContact ND1-N 3.19Å; T70-I74 HydrophobicContact CG2-CD1 3.84Å; G72-I74 PolarHBondContact O-N 3.21Å; I74-T76 VanDerWaalsContact C-N 3.32Å; I74-T76 PolarHBondContact O-N 2.9Å; I74-V77 HydrophobicContact CB-CB 4.09Å; I74-V77 HydrophobicContact CB-CG2 3.96Å; I74-V77 HydrophobicContact CD1-CG2 4.49Å; I74-V77 HydrophobicContact CG2-CB 4.29Å; I74-V77 HydrophobicContact CG2-CG2 3.82Å; I74-V77 PolarHBondContact O-N 3.06Å; I74-A78 PolarHBondContact O-N 3.13Å
75	P	92.8	Very high	88.7	Confident	59 Å²	59	64.2 Å²	64.2	38%	0.383	33%	0.334	S	S	.	.	H	α-helix	trans	-57	-37.1	-170.7	-29.7	36	0	0	0	115.6	A78 Q79 L117	P75-A78 PolarHBondContact O-N 3.12Å; P75-Q79 WeakPolarHBondContact O-CB 3.3Å; P75-Q79 PolarHBondContact O-N 3.28Å; P75-L117 HydrophobicContact CB-CD1 4.28Å
76	T	95.6	Very high	89.5	Confident	89 Å²	89	59.1 Å²	59.1	55%	0.546	31%	0.31	S	S	.	.	H	α-helix	trans	-71.5	-35	179	51.7	0	0	0	0	112.4	I74 R80 L117	I74-T76 VanDerWaalsContact C-N 3.32Å; I74-T76 PolarHBondContact O-N 2.9Å; T76-R80 PolarHBondContact O-N 3.43Å; T76-R80 VanDerWaalsContact O-N 3.16Å; T76-L117 HydrophobicContact CG2-CD1 4.2Å
77	V	95.7	Very high	90	Very high	31 Å²	31	57.8 Å²	57.8	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-68.5	-44.8	173.2	176.1	0	0	0	0	109.8	V66 I74 Q79 R80 L81	V66-V77 HydrophobicContact CG1-CG1 3.93Å; I74-V77 HydrophobicContact CB-CB 4.09Å; I74-V77 HydrophobicContact CB-CG2 3.96Å; I74-V77 HydrophobicContact CD1-CG2 4.49Å; I74-V77 HydrophobicContact CG2-CB 4.29Å; I74-V77 HydrophobicContact CG2-CG2 3.82Å; I74-V77 PolarHBondContact O-N 3.06Å; V77-Q79 PolarHBondContact O-N 3.27Å; V77-R80 PolarHBondContact O-N 3.46Å; V77-L81 HydrophobicContact CG1-CD1 3.9Å; V77-L81 HydrophobicContact CG1-CG 4.38Å; V77-L81 WeakPolarHBondContact O-CG 3.16Å; V77-L81 PolarHBondContact O-N 3.17Å
78	A	95.9	Very high	90.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-45.8	178.2	0	0	0	0	0	111.9	Q63 I73 I74 P75 R80 L81 H82	Q63-A78 PolarHBondContact NE2-O 2.9Å; I73-A78 HydrophobicContact CG2-CB 4.3Å; I74-A78 PolarHBondContact O-N 3.13Å; P75-A78 PolarHBondContact O-N 3.12Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.21Å; A78-L81 PolarHBondContact O-N 2.91Å; A78-H82 PolarHBondContact O-CD2 3.28Å; A78-H82 PolarHBondContact O-N 3.27Å
79	Q	97.7	Very high	92	Very high	45 Å²	45	57.2 Å²	57.2	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-55	-48.4	173.8	-178.3	-173.6	57	0	0	112.3	P75 V77 H82 R83 L117 I121	P75-Q79 WeakPolarHBondContact O-CB 3.3Å; P75-Q79 PolarHBondContact O-N 3.28Å; V77-Q79 PolarHBondContact O-N 3.27Å; Q79-H82 PolarHBondContact O-N 2.75Å; Q79-R83 PolarHBondContact O-N 3.35Å; Q79-L117 HydrophobicContact CB-CB 3.87Å; Q79-L117 HydrophobicContact CG-CB 4.08Å; Q79-I121 HydrophobicContact CG-CD1 4Å; Q79-I121 HydrophobicContact CG-CG1 3.95Å
80	R	98	Very high	93.1	Very high	112 Å²	112	49.8 Å²	49.8	42%	0.423	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-46.6	-179.7	180	177.7	63.2	76.7	1.2	110.8	T76 V77 A78 H82 R83 E84	T76-R80 PolarHBondContact O-N 3.43Å; T76-R80 VanDerWaalsContact O-N 3.16Å; V77-R80 PolarHBondContact O-N 3.46Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.21Å; R80-H82 PolarHBondContact O-N 2.82Å; R80-R83 WeakPolarHBondContact O-CB 3.49Å; R80-R83 PolarHBondContact O-N 2.6Å; R80-E84 WeakPolarHBondContact CD-OE1 3.33Å; R80-E84 HydrophobicContact CG-CG 4.46Å; R80-E84 WeakPolarHBondContact CG-OE1 2.87Å; R80-E84 IonicContact CZ-OE1 3.2Å; R80-E84 VanDerWaalsContact NH1-CD 3.35Å; R80-E84 IonicContact NH1-OE1 2.79Å; R80-E84 PolarHBondContact NH1-OE1 2.95Å; R80-E84 IonicContact NH1-OE2 2.73Å; R80-E84 PolarHBondContact NH1-OE2 2.84Å; R80-E84 VanDerWaalsContact NH1-OE2 3.12Å; R80-E84 WeakPolarHBondContact O-CG 3.46Å; R80-E84 PolarHBondContact O-N 3.17Å
81	L	97.8	Very high	94.3	Very high	15 Å²	15	51.8 Å²	51.8	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-39	179.9	-68.7	173.3	0	0	0	112.5	Q63 V66 V77 A78 E84 N85	Q63-L81 HydrophobicContact CB-CD1 3.89Å; Q63-L81 HydrophobicContact CG-CB 3.89Å; Q63-L81 HydrophobicContact CG-CD1 3.68Å; Q63-L81 HydrophobicContact CG-CG 4.43Å; V66-L81 HydrophobicContact CB-CD1 4.23Å; V66-L81 HydrophobicContact CG1-CD1 4.16Å; V66-L81 HydrophobicContact CG2-CD1 4.11Å; V77-L81 HydrophobicContact CG1-CD1 3.9Å; V77-L81 HydrophobicContact CG1-CG 4.38Å; V77-L81 WeakPolarHBondContact O-CG 3.16Å; V77-L81 PolarHBondContact O-N 3.17Å; A78-L81 PolarHBondContact O-N 2.91Å; L81-E84 PolarHBondContact O-N 3.06Å; L81-N85 WeakPolarHBondContact O-CB 3.4Å; L81-N85 PolarHBondContact O-N 3.23Å; L81-N85 VanDerWaalsContact O-N 3.12Å; L81-N85 PolarHBondContact O-ND2 3.45Å
82	H	98.6	Very high	95.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-46.8	170.9	-73	-57.6	0	0	0	111.7	C41 E43 T44 Q63 A78 Q79 R80 E84 N85 I86 S118 I121	C41-H82 PolarHBondContact O-NE2 2.65Å; E43-H82 PolarHBondContact O-CE1 3.21Å; E43-H82 VanDerWaalsContact O-CE1 3.28Å; T44-H82 PolarHBondContact OG1-CE1 3.29Å; T44-H82 PolarHBondContact OG1-ND1 2.86Å; Q63-H82 PolarHBondContact NE2-CE1 2.7Å; Q63-H82 VanDerWaalsContact NE2-CE1 3.25Å; Q63-H82 PolarHBondContact NE2-ND1 3.1Å; Q63-H82 PolarHBondContact NE2-NE2 3.38Å; A78-H82 PolarHBondContact O-CD2 3.28Å; A78-H82 PolarHBondContact O-N 3.27Å; Q79-H82 PolarHBondContact O-N 2.75Å; R80-H82 PolarHBondContact O-N 2.82Å; H82-E84 VanDerWaalsContact C-N 3.31Å; H82-E84 PolarHBondContact O-N 3.28Å; H82-N85 PolarHBondContact O-N 2.86Å; H82-I86 VanDerWaalsContact O-CB 3.29Å; H82-I86 WeakPolarHBondContact O-CB 3.35Å; H82-I86 WeakPolarHBondContact O-CG2 3.29Å; H82-I86 PolarHBondContact O-N 2.85Å; H82-S118 VanDerWaalsContact CD2-CB 3.46Å; H82-S118 WeakPolarHBondContact CD2-CB 3.37Å; H82-S118 PolarHBondContact CD2-OG 3.07Å; H82-I121 HydrophobicContact CB-CB 4.08Å; H82-I121 HydrophobicContact CB-CG1 4.22Å; H82-I121 HydrophobicContact CB-CG2 3.82Å
83	R	98.5	Very high	96.8	Very high	140 Å²	140	50.3 Å²	50.3	53%	0.528	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-41.1	-179.3	-172.8	-177.1	-63.3	130.1	1.9	111.9	Q79 R80 N85 I121	Q79-R83 PolarHBondContact O-N 3.35Å; R80-R83 WeakPolarHBondContact O-CB 3.49Å; R80-R83 PolarHBondContact O-N 2.6Å; R83-N85 VanDerWaalsContact C-N 3.34Å; R83-I121 HydrophobicContact CB-CD1 4.13Å
84	E	98.3	Very high	97.5	Very high	109 Å²	109	47.2 Å²	47.2	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-68.7	-29.8	178.9	-72.2	168.3	-173.4	0	0	112.7	R80 L81 H82	R80-E84 WeakPolarHBondContact CD-OE1 3.33Å; R80-E84 HydrophobicContact CG-CG 4.46Å; R80-E84 WeakPolarHBondContact CG-OE1 2.87Å; R80-E84 IonicContact CZ-OE1 3.2Å; R80-E84 VanDerWaalsContact NH1-CD 3.35Å; R80-E84 IonicContact NH1-OE1 2.79Å; R80-E84 PolarHBondContact NH1-OE1 2.95Å; R80-E84 IonicContact NH1-OE2 2.73Å; R80-E84 PolarHBondContact NH1-OE2 2.84Å; R80-E84 VanDerWaalsContact NH1-OE2 3.12Å; R80-E84 WeakPolarHBondContact O-CG 3.46Å; R80-E84 PolarHBondContact O-N 3.17Å; L81-E84 PolarHBondContact O-N 3.06Å; H82-E84 VanDerWaalsContact C-N 3.31Å; H82-E84 PolarHBondContact O-N 3.28Å
85	N	98.6	Very high	97.8	Very high	18 Å²	18	49.8 Å²	49.8	10%	0.096	24%	0.241	C	C	.	.	H	α-helix	trans	-109.7	-23.3	-169.3	-73	-83.1	0	0	0	115.7	H61 L81 H82 R83 G87 R88 V89	H61-N85 HydrophobicContact CB-CB 4.27Å; H61-N85 VanDerWaalsContact CD2-CG 3.41Å; H61-N85 PolarHBondContact CD2-ND2 3.04Å; H61-N85 PolarHBondContact ND1-OD1 3.32Å; H61-N85 PolarHBondContact NE2-ND2 3.48Å; L81-N85 WeakPolarHBondContact O-CB 3.4Å; L81-N85 PolarHBondContact O-N 3.23Å; L81-N85 VanDerWaalsContact O-N 3.12Å; L81-N85 PolarHBondContact O-ND2 3.45Å; H82-N85 PolarHBondContact O-N 2.86Å; R83-N85 VanDerWaalsContact C-N 3.34Å; N85-G87 VanDerWaalsContact C-N 3.33Å; N85-G87 PolarHBondContact O-N 3.16Å; N85-R88 PolarHBondContact O-N 2.93Å; N85-R88 VanDerWaalsContact O-N 3.17Å; N85-R88 PolarHBondContact OD1-NH2 3.31Å; N85-V89 HydrophobicContact CB-CG2 4.4Å; N85-V89 WeakPolarHBondContact O-CG2 3.39Å; N85-V89 PolarHBondContact O-N 2.81Å
86	I	98.8	Very high	98.1	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.046	25%	0.25	C	S	.	.	H	α-helix	trans	-57.4	-42.3	-170.3	-172.3	165	0	0	0	113.4	I37 T39 T44 H82 V89 V90 I121 F125	I37-I86 HydrophobicContact CG2-CD1 4.24Å; T39-I86 HydrophobicContact CG2-CD1 4.05Å; T44-I86 HydrophobicContact CG2-CB 4.14Å; T44-I86 HydrophobicContact CG2-CG1 4.44Å; H82-I86 VanDerWaalsContact O-CB 3.29Å; H82-I86 WeakPolarHBondContact O-CB 3.35Å; H82-I86 WeakPolarHBondContact O-CG2 3.29Å; H82-I86 PolarHBondContact O-N 2.85Å; I86-V89 PolarHBondContact O-N 2.99Å; I86-V90 HydrophobicContact CG1-CG2 4.35Å; I86-V90 WeakPolarHBondContact O-CG2 3.35Å; I86-V90 PolarHBondContact O-N 2.8Å; I86-I121 HydrophobicContact CD1-CG2 4.19Å; I86-I121 HydrophobicContact CG2-CG2 4.09Å; I86-F125 HydrophobicContact CD1-CB 3.46Å; I86-F125 VanDerWaalsContact CD1-CB 3.46Å; I86-F125 HydrophobicContact CD1-CD1 4Å; I86-F125 HydrophobicContact CD1-CD2 4.26Å; I86-F125 HydrophobicContact CD1-CG 3.64Å; I86-F125 HydrophobicContact CG1-CB 4.18Å; I86-F125 HydrophobicContact CG1-CD1 4.06Å; I86-F125 HydrophobicContact CG1-CD2 4.03Å; I86-F125 HydrophobicContact CG1-CE2 4.48Å; I86-F125 HydrophobicContact CG1-CG 3.81Å; I86-F125 HydrophobicContact CG2-CB 4.5Å; I86-F125 HydrophobicContact CG2-CD2 3.84Å; I86-F125 HydrophobicContact CG2-CE2 4.43Å; I86-F125 HydrophobicContact CG2-CG 4.3Å
87	G	98.6	Very high	98.2	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-49.1	177.9	0	0	0	0	0	112.3	N85 Q91	N85-G87 VanDerWaalsContact C-N 3.33Å; N85-G87 PolarHBondContact O-N 3.16Å; G87-Q91 VanDerWaalsContact O-CB 3.27Å; G87-Q91 WeakPolarHBondContact O-CB 3.39Å; G87-Q91 PolarHBondContact O-N 3Å
88	R	98.6	Very high	98.3	Very high	100 Å²	100	52.6 Å²	52.6	38%	0.377	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-46.2	177.6	-177.4	-177	63.2	78.2	3.2	111.7	H61 N85 Q91 E92	H61-R88 PolarHBondContact ND1-NH2 2.94Å; N85-R88 PolarHBondContact O-N 2.93Å; N85-R88 VanDerWaalsContact O-N 3.17Å; N85-R88 PolarHBondContact OD1-NH2 3.31Å; R88-Q91 PolarHBondContact O-N 2.88Å; R88-E92 WeakPolarHBondContact CD-OE1 3.34Å; R88-E92 HydrophobicContact CG-CG 4.37Å; R88-E92 VanDerWaalsContact CG-OE1 3.28Å; R88-E92 WeakPolarHBondContact CG-OE1 3.33Å; R88-E92 IonicContact CZ-OE1 3.12Å; R88-E92 VanDerWaalsContact NH1-CD 3.33Å; R88-E92 IonicContact NH1-OE1 2.79Å; R88-E92 PolarHBondContact NH1-OE1 3.02Å; R88-E92 IonicContact NH1-OE2 2.74Å; R88-E92 PolarHBondContact NH1-OE2 2.81Å; R88-E92 WeakPolarHBondContact O-CB 3.43Å; R88-E92 VanDerWaalsContact O-CG 3.31Å; R88-E92 WeakPolarHBondContact O-CG 3.37Å; R88-E92 PolarHBondContact O-N 3.18Å
89	V	98.8	Very high	98.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-45.7	-178.7	167.7	0	0	0	0	111.3	T44 A46 S59 H61 N85 I86 A93	T44-V89 HydrophobicContact CG2-CB 4.21Å; T44-V89 HydrophobicContact CG2-CG1 4.32Å; T44-V89 HydrophobicContact CG2-CG2 4.14Å; A46-V89 HydrophobicContact CB-CG1 3.78Å; S59-V89 WeakPolarHBondContact CB-O 3.22Å; H61-V89 HydrophobicContact CB-CG2 3.73Å; N85-V89 HydrophobicContact CB-CG2 4.4Å; N85-V89 WeakPolarHBondContact O-CG2 3.39Å; N85-V89 PolarHBondContact O-N 2.81Å; I86-V89 PolarHBondContact O-N 2.99Å; V89-A93 PolarHBondContact O-N 2.97Å; V89-A93 VanDerWaalsContact O-N 3.07Å
90	V	98.8	Very high	98.3	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-42.8	177.7	172.5	0	0	0	0	111.1	L35 I37 A46 I86 A93 M94 F125	L35-V90 HydrophobicContact CD1-CG1 4.5Å; L35-V90 HydrophobicContact CD2-CG1 3.96Å; I37-V90 HydrophobicContact CD1-CG2 3.93Å; I37-V90 HydrophobicContact CG1-CG2 4.1Å; A46-V90 HydrophobicContact CB-CB 4.45Å; A46-V90 HydrophobicContact CB-CG2 3.85Å; I86-V90 HydrophobicContact CG1-CG2 4.35Å; I86-V90 WeakPolarHBondContact O-CG2 3.35Å; I86-V90 PolarHBondContact O-N 2.8Å; V90-A93 PolarHBondContact O-N 2.9Å; V90-M94 HydrophobicContact CG1-CG 4.36Å; V90-M94 WeakPolarHBondContact O-CG 3.42Å; V90-M94 PolarHBondContact O-N 3.24Å; V90-F125 HydrophobicContact CB-CE1 3.89Å; V90-F125 HydrophobicContact CB-CZ 3.9Å; V90-F125 HydrophobicContact CG1-CE1 3.88Å; V90-F125 HydrophobicContact CG1-CZ 4.07Å; V90-F125 HydrophobicContact CG2-CD1 4.33Å; V90-F125 HydrophobicContact CG2-CE1 3.63Å; V90-F125 HydrophobicContact CG2-CZ 4.05Å
91	Q	98.5	Very high	98.2	Very high	113 Å²	113	52.3 Å²	52.3	53%	0.528	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-49.8	176.5	179.4	177	0.1	0	0	111.4	G87 R88 A93 M94 E95	G87-Q91 VanDerWaalsContact O-CB 3.27Å; G87-Q91 WeakPolarHBondContact O-CB 3.39Å; G87-Q91 PolarHBondContact O-N 3Å; R88-Q91 PolarHBondContact O-N 2.88Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 2.89Å; Q91-M94 PolarHBondContact O-N 2.83Å; Q91-E95 HydrophobicContact CG-CG 4.29Å; Q91-E95 VanDerWaalsContact CG-OE1 3.26Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.08Å; Q91-E95 PolarHBondContact NE2-OE1 3.05Å; Q91-E95 WeakPolarHBondContact O-CB 3.24Å; Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 3.13Å
92	E	98.8	Very high	98.1	Very high	41 Å²	41	56 Å²	56	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-40.3	178.5	-75.3	173.1	-170.9	0	0	112.5	S59 R88 R96	S59-E92 PolarHBondContact OG-OE2 3.22Å; R88-E92 WeakPolarHBondContact CD-OE1 3.34Å; R88-E92 HydrophobicContact CG-CG 4.37Å; R88-E92 VanDerWaalsContact CG-OE1 3.28Å; R88-E92 WeakPolarHBondContact CG-OE1 3.33Å; R88-E92 IonicContact CZ-OE1 3.12Å; R88-E92 VanDerWaalsContact NH1-CD 3.33Å; R88-E92 IonicContact NH1-OE1 2.79Å; R88-E92 PolarHBondContact NH1-OE1 3.02Å; R88-E92 IonicContact NH1-OE2 2.74Å; R88-E92 PolarHBondContact NH1-OE2 2.81Å; R88-E92 WeakPolarHBondContact O-CB 3.43Å; R88-E92 VanDerWaalsContact O-CG 3.31Å; R88-E92 WeakPolarHBondContact O-CG 3.37Å; R88-E92 PolarHBondContact O-N 3.18Å; E92-R96 VanDerWaalsContact O-CB 3.32Å; E92-R96 WeakPolarHBondContact O-CB 3.27Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 2.81Å; E92-R96 IonicContact OE2-NH2 2.83Å
93	A	98.8	Very high	98	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-42.7	176.9	0	0	0	0	0	111.7	A46 V89 V90 Q91 S97	A46-A93 HydrophobicContact CB-CB 3.82Å; V89-A93 PolarHBondContact O-N 2.97Å; V89-A93 VanDerWaalsContact O-N 3.07Å; V90-A93 PolarHBondContact O-N 2.9Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 2.89Å; A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 2.93Å; A93-S97 VanDerWaalsContact O-N 3.12Å
94	M	98.6	Very high	98	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.039	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-46	175.8	-69.5	-65.3	-63.2	0	0	111.7	L35 V48 V90 Q91 S97 G98 V99 Q101 L104	L35-M94 HydrophobicContact CD1-SD 4.21Å; L35-M94 HydrophobicContact CD2-SD 4.18Å; V48-M94 HydrophobicContact CG2-SD 3.54Å; V48-M94 VanDerWaalsContact CG2-SD 3.54Å; V90-M94 HydrophobicContact CG1-CG 4.36Å; V90-M94 WeakPolarHBondContact O-CG 3.42Å; V90-M94 PolarHBondContact O-N 3.24Å; Q91-M94 PolarHBondContact O-N 2.83Å; M94-S97 PolarHBondContact O-N 2.93Å; M94-S97 PolarHBondContact O-OG 2.81Å; M94-G98 PolarHBondContact O-N 3.3Å; M94-V99 WeakPolarHBondContact CE-O 3.31Å; M94-Q101 HydrophobicContact CE-CG 4.15Å; M94-L104 HydrophobicContact CE-CD1 3.84Å; M94-L104 HydrophobicContact CE-CD2 4.38Å; M94-L104 HydrophobicContact CE-CG 4.15Å; M94-L104 HydrophobicContact SD-CD1 4Å; M94-L104 HydrophobicContact SD-CD2 4.34Å
95	E	98.4	Very high	98	Very high	119 Å²	119	50.7 Å²	50.7	56%	0.556	28%	0.275	S	S	*	.	H	α-helix	trans	-61.4	-47.6	178	-74.8	173.5	-179.4	0	0	112	Q91 S97 G98	Q91-E95 HydrophobicContact CG-CG 4.29Å; Q91-E95 VanDerWaalsContact CG-OE1 3.26Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.08Å; Q91-E95 PolarHBondContact NE2-OE1 3.05Å; Q91-E95 WeakPolarHBondContact O-CB 3.24Å; Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 3.13Å; E95-S97 PolarHBondContact O-N 3.39Å; E95-G98 PolarHBondContact O-N 2.99Å; E95-G98 VanDerWaalsContact O-N 3.09Å
96	R	98.6	Very high	98	Very high	154 Å²	154	49.9 Å²	49.9	58%	0.581	27%	0.271	S	S	*	.	H	α-helix	trans	-60.6	-32.5	176.5	-73.3	172.7	-174	170.5	5.8	112.5	E58 E92 G98	E58-R96 WeakPolarHBondContact O-CD 3.3Å; E58-R96 PolarHBondContact O-NH1 3.33Å; E92-R96 VanDerWaalsContact O-CB 3.32Å; E92-R96 WeakPolarHBondContact O-CB 3.27Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 2.81Å; E92-R96 IonicContact OE2-NH2 2.83Å; R96-G98 VanDerWaalsContact C-N 3.32Å
97	S	98.2	Very high	98	Very high	18 Å²	18	49.4 Å²	49.4	13%	0.126	27%	0.269	C	S	.	.	H	α-helix	trans	-73.3	-21.8	177.6	77.6	0	0	0	0	114.2	L56 A93 M94 E95 V99	L56-S97 WeakPolarHBondContact O-CA 3.5Å; A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 2.93Å; A93-S97 VanDerWaalsContact O-N 3.12Å; M94-S97 PolarHBondContact O-N 2.93Å; M94-S97 PolarHBondContact O-OG 2.81Å; E95-S97 PolarHBondContact O-N 3.39Å; S97-V99 PolarHBondContact O-N 3.37Å; S97-V99 VanDerWaalsContact OG-CB 3.29Å; S97-V99 WeakPolarHBondContact OG-CB 3.4Å; S97-V99 WeakPolarHBondContact OG-CG2 3.29Å; S97-V99 PolarHBondContact OG-N 2.95Å
98	G	97.4	Very high	98	Very high	66 Å²	66	47.9 Å²	47.9	68%	0.68	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	13.9	-171.3	0	0	0	0	0	114.1	M94 E95 R96	M94-G98 PolarHBondContact O-N 3.3Å; E95-G98 PolarHBondContact O-N 2.99Å; E95-G98 VanDerWaalsContact O-N 3.09Å; R96-G98 VanDerWaalsContact C-N 3.32Å
99	V	96.6	Very high	98	Very high	16 Å²	16	43.1 Å²	43.1	10%	0.097	24%	0.235	C	C	.	.			trans	-96.4	135.6	-177.4	178.8	0	0	0	0	109.6	L33 V48 L56 M94 S97 Q103 L104	L33-V99 HydrophobicContact CD1-CB 4.35Å; L33-V99 HydrophobicContact CD1-CG1 3.56Å; L33-V99 HydrophobicContact CD1-CG2 3.73Å; V48-V99 HydrophobicContact CG1-CB 4.48Å; V48-V99 HydrophobicContact CG1-CG2 4.22Å; L56-V99 HydrophobicContact CD1-CG2 3.99Å; M94-V99 WeakPolarHBondContact CE-O 3.31Å; S97-V99 PolarHBondContact O-N 3.37Å; S97-V99 VanDerWaalsContact OG-CB 3.29Å; S97-V99 WeakPolarHBondContact OG-CB 3.4Å; S97-V99 WeakPolarHBondContact OG-CG2 3.29Å; S97-V99 PolarHBondContact OG-N 2.95Å; V99-Q103 HydrophobicContact CG1-CB 3.71Å; V99-L104 HydrophobicContact CG1-CD2 4.21Å
100	T	96.5	Very high	98	Very high	64 Å²	64	43.1 Å²	43.1	39%	0.393	24%	0.235	S	C	.	.			trans	-84.2	155.9	170.5	66.9	0	0	0	0	110.9	S102 Q103	T100-S102 PolarHBondContact O-N 3.36Å; T100-S102 VanDerWaalsContact O-N 3.13Å; T100-S102 PolarHBondContact OG1-OG 2.83Å; T100-Q103 WeakPolarHBondContact O-CB 3.35Å; T100-Q103 PolarHBondContact O-N 3.45Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.45Å; T100-Q103 PolarHBondContact OG1-OE1 3.2Å
101	Q	96.5	Very high	98	Very high	72 Å²	72	43 Å²	43	34%	0.336	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-56.8	-35.6	179.7	-62.1	76.2	11.1	0	0	111.4	M94 Q103 L104 F129 H133 K135	M94-Q101 HydrophobicContact CE-CG 4.15Å; Q101-Q103 PolarHBondContact O-N 3.4Å; Q101-L104 WeakPolarHBondContact O-CB 3.21Å; Q101-L104 PolarHBondContact O-N 2.94Å; Q101-F129 HydrophobicContact CB-CZ 4.17Å; Q101-F129 HydrophobicContact CG-CE2 3.92Å; Q101-F129 HydrophobicContact CG-CZ 3.59Å; Q101-H133 HydrophobicContact CB-CB 4.25Å; Q101-K135 WeakPolarHBondContact O-CE 3.31Å
102	S	95.8	Very high	97.9	Very high	91 Å²	91	40.3 Å²	40.3	64%	0.636	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-64.6	-22.2	177.6	57.7	0	0	0	0	114.4	T100 K135	T100-S102 PolarHBondContact O-N 3.36Å; T100-S102 VanDerWaalsContact O-N 3.13Å; T100-S102 PolarHBondContact OG1-OG 2.83Å; S102-K135 PolarHBondContact O-NZ 2.86Å
103	Q	96.8	Very high	97.8	Very high	99 Å²	99	39 Å²	39	46%	0.463	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-84.3	-15.1	178.2	-68	174.5	-67.5	0	0	113.3	L33 V99 T100 Q101	L33-Q103 HydrophobicContact CD1-CB 4.34Å; V99-Q103 HydrophobicContact CG1-CB 3.71Å; T100-Q103 WeakPolarHBondContact O-CB 3.35Å; T100-Q103 PolarHBondContact O-N 3.45Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.45Å; T100-Q103 PolarHBondContact OG1-OE1 3.2Å; Q101-Q103 PolarHBondContact O-N 3.4Å
104	L	98.2	Very high	97.6	Very high	3 Å²	3	40 Å²	40	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.8	176.2	-63.7	174.5	0	0	0	110.9	L33 L35 V48 M94 V99 Q101 V107 F129 K135	L33-L104 HydrophobicContact CB-CD2 4.27Å; L35-L104 HydrophobicContact CB-CD1 3.91Å; L35-L104 HydrophobicContact CB-CD2 4.08Å; L35-L104 HydrophobicContact CD2-CD1 4.21Å; V48-L104 HydrophobicContact CG1-CD2 4.18Å; M94-L104 HydrophobicContact CE-CD1 3.84Å; M94-L104 HydrophobicContact CE-CD2 4.38Å; M94-L104 HydrophobicContact CE-CG 4.15Å; M94-L104 HydrophobicContact SD-CD1 4Å; M94-L104 HydrophobicContact SD-CD2 4.34Å; V99-L104 HydrophobicContact CG1-CD2 4.21Å; Q101-L104 WeakPolarHBondContact O-CB 3.21Å; Q101-L104 PolarHBondContact O-N 2.94Å; L104-V107 HydrophobicContact CD1-CG2 4.5Å; L104-F129 HydrophobicContact CD1-CE1 3.83Å; L104-F129 HydrophobicContact CD1-CZ 3.87Å; L104-K135 WeakPolarHBondContact O-CD 3.39Å; L104-K135 WeakPolarHBondContact O-CE 3.47Å; L104-K135 PolarHBondContact O-NZ 2.92Å
105	S	98	Very high	97.5	Very high	37 Å²	37	42.1 Å²	42.1	26%	0.259	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-30.7	173.1	-59.8	0	0	0	0	112.1	R32 L33 P136	R32-S105 WeakPolarHBondContact CA-OG 3.49Å; L33-S105 PolarHBondContact N-OG 3.02Å; L33-S105 WeakPolarHBondContact O-CA 3.4Å; L33-S105 WeakPolarHBondContact O-CB 3.12Å; L33-S105 PolarHBondContact O-N 2.85Å; S105-P136 VanDerWaalsContact O-CD 3.3Å; S105-P136 WeakPolarHBondContact O-CD 3.23Å; S105-P136 WeakPolarHBondContact O-CG 3.42Å
106	A	98.2	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	165	173.1	0	0	0	0	0	111.7	L33 L35 P136 I138 L366	L33-A106 PolarHBondContact O-N 2.83Å; L35-A106 PolarHBondContact N-O 3.27Å; A106-P136 WeakPolarHBondContact CA-O 3.39Å; A106-P136 HydrophobicContact CB-CB 4.25Å; A106-I138 HydrophobicContact CB-CD1 3.59Å; A106-I138 HydrophobicContact CB-CG1 4Å; A106-L366 HydrophobicContact CB-CD1 4.05Å; A106-L366 HydrophobicContact CB-CD2 4.1Å; A106-L366 HydrophobicContact CB-CG 4.33Å
107	V	98.8	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124	165.3	-178.2	0	0	0	0	108.4	L35 I37 L104 F129 V130 K135 P136 F137 I138	L35-V107 HydrophobicContact CB-CG2 4.38Å; L35-V107 HydrophobicContact CD2-CG1 4.34Å; L35-V107 HydrophobicContact CD2-CG2 4.33Å; L35-V107 HydrophobicContact CG-CG1 4.44Å; L35-V107 CarbonylContact O-C 3.54Å; L35-V107 WeakPolarHBondContact O-CA 3.13Å; I37-V107 HydrophobicContact CD1-CG1 4Å; L104-V107 HydrophobicContact CD1-CG2 4.5Å; V107-F129 HydrophobicContact CG2-CD1 3.7Å; V107-F129 HydrophobicContact CG2-CE1 3.68Å; V107-V130 HydrophobicContact CB-CG1 3.6Å; V107-V130 HydrophobicContact CG1-CG1 4.33Å; V107-V130 HydrophobicContact CG2-CG1 3.65Å; V107-K135 HydrophobicContact CG2-CB 4.44Å; V107-P136 PolarHBondContact N-O 2.93Å; V107-F137 CarbonylContact O-C 3.53Å; V107-F137 WeakPolarHBondContact O-CA 3.44Å; V107-I138 PolarHBondContact O-N 2.84Å
108	A	98.8	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.9	178.3	0	0	0	0	0	109.5	V34 L35 G36 I37 I138 I140 I358	V34-A108 HydrophobicContact CG1-CB 3.78Å; L35-A108 PolarHBondContact O-N 2.62Å; G36-A108 CarbonylContact C-O 3.54Å; G36-A108 VanDerWaalsContact CA-O 3.24Å; G36-A108 WeakPolarHBondContact CA-O 3.49Å; I37-A108 PolarHBondContact N-O 2.78Å; A108-I138 VanDerWaalsContact CA-O 3.29Å; A108-I138 WeakPolarHBondContact CA-O 3.43Å; A108-I138 HydrophobicContact CB-CB 4.15Å; A108-I140 HydrophobicContact CB-CD1 4.17Å; A108-I140 HydrophobicContact CB-CG1 3.81Å; A108-I358 HydrophobicContact CB-CG2 4.18Å; A108-I358 VanDerWaalsContact O-CG2 3.3Å; A108-I358 WeakPolarHBondContact O-CG2 3.45Å
109	T	98.9	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.4	-175.2	-57.4	0	0	0	0	110.7	I37 V111 S126 I138 I140	I37-T109 HydrophobicContact CB-CG2 4.22Å; I37-T109 HydrophobicContact CG2-CG2 4.36Å; I37-T109 WeakPolarHBondContact O-CA 3.42Å; T109-V111 PolarHBondContact O-N 2.77Å; T109-S126 VanDerWaalsContact CG2-OG 3.32Å; T109-S126 WeakPolarHBondContact CG2-OG 3.4Å; T109-S126 WeakPolarHBondContact OG1-CB 3.47Å; T109-S126 PolarHBondContact OG1-OG 2.95Å; T109-I138 PolarHBondContact N-O 3.03Å; T109-I140 PolarHBondContact O-N 2.7Å
110	T	98.8	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	118.5	172.8	-55.8	0	0	0	0	110.7	I37 E38 L119 I140 H142 I358	I37-T110 PolarHBondContact O-N 3.18Å; E38-T110 WeakPolarHBondContact OE2-CB 3.4Å; E38-T110 PolarHBondContact OE2-OG1 3.06Å; T110-L119 HydrophobicContact CG2-CD2 4.04Å; T110-I140 WeakPolarHBondContact CA-O 3.36Å; T110-H142 HydrophobicContact CG2-CB 3.63Å; T110-I358 WeakPolarHBondContact OG1-CD1 3.38Å; T110-I358 WeakPolarHBondContact OG1-CG1 3.43Å
111	V	98.5	Very high	97.6	Very high	3 Å²	3	28 Å²	28	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-11.3	176.4	-57	0	0	0	0	112.9	T109 L123 F137 P139 I140 V379 Y381 E382	T109-V111 PolarHBondContact O-N 2.77Å; V111-L123 HydrophobicContact CG1-CD1 3.91Å; V111-F137 HydrophobicContact CG1-CE1 4.45Å; V111-F137 HydrophobicContact CG1-CZ 4.16Å; V111-P139 HydrophobicContact CB-CB 4.45Å; V111-P139 HydrophobicContact CG1-CB 4.03Å; V111-P139 HydrophobicContact CG2-CB 3.56Å; V111-I140 PolarHBondContact N-O 2.88Å; V111-V379 HydrophobicContact CG1-CG1 4.3Å; V111-Y381 CarbonylContact O-C 3.59Å; V111-Y381 VanDerWaalsContact O-CA 3.24Å; V111-Y381 WeakPolarHBondContact O-CA 3.49Å; V111-Y381 VanDerWaalsContact O-CB 3.27Å; V111-Y381 WeakPolarHBondContact O-CB 3.16Å; V111-E382 PolarHBondContact O-N 2.91Å
112	K	97.4	Very high	97.7	Very high	56 Å²	56	24.6 Å²	24.6	24%	0.243	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	160.6	-178.8	62.6	-168.8	174.9	-179.9	0	113.7	H141 H142 E382 A385	K112-H141 HydrophobicContact CG-CB 4.19Å; K112-H141 CarbonylContact O-C 3.59Å; K112-H141 VanDerWaalsContact O-CA 3.25Å; K112-H141 WeakPolarHBondContact O-CA 3.32Å; K112-H142 WeakPolarHBondContact O-CB 3.36Å; K112-H142 PolarHBondContact O-N 3.32Å; K112-E382 WeakPolarHBondContact CA-O 3.47Å; K112-E382 HydrophobicContact CB-CB 3.83Å; K112-E382 WeakPolarHBondContact CB-O 3.49Å; K112-E382 HydrophobicContact CD-CB 4.1Å; K112-E382 HydrophobicContact CD-CG 4.33Å; K112-E382 VanDerWaalsContact CD-OE1 3.29Å; K112-E382 WeakPolarHBondContact CD-OE1 3.43Å; K112-E382 IonicContact NZ-OE1 3.4Å; K112-E382 PolarHBondContact NZ-OE1 2.99Å; K112-E382 IonicContact NZ-OE2 3.79Å; K112-A385 HydrophobicContact CB-CB 3.74Å; K112-A385 HydrophobicContact CD-CB 3.73Å; K112-A385 HydrophobicContact CG-CB 3.93Å
113	P	96.7	Very high	97.9	Very high	12 Å²	12	20.7 Å²	20.7	8%	0.078	12%	0.123	C	C	.	.	S	Bend	cis	-68	175.3	-35	32.9	-37.3	0	0	0	110.8	H141 M143 E382 P383 A385	P113-H141 WeakPolarHBondContact CD-CE1 3.23Å; P113-M143 HydrophobicContact CG-CG 4.34Å; P113-E382 WeakPolarHBondContact CA-O 3.33Å; P113-P383 WeakPolarHBondContact CB-O 3.47Å; P113-A385 HydrophobicContact CB-CB 4.38Å
114	G	95.1	Very high	98	Very high	23 Å²	23	21.7 Å²	21.7	24%	0.237	13%	0.127	C	C	.	.	S	Bend	trans	161	-178.2	178.4	0	0	0	0	0	113.4	S40 A116 P383	S40-G114 CarbonylContact O-C 3.54Å; S40-G114 WeakPolarHBondContact O-CA 3.39Å; G114-A116 PolarHBondContact O-N 3Å; G114-P383 PolarHBondContact N-O 3.31Å; G114-P383 VanDerWaalsContact O-CA 3.3Å; G114-P383 WeakPolarHBondContact O-CA 3.28Å; G114-P383 WeakPolarHBondContact O-CB 3.24Å
115	L	95.8	Very high	98	Very high	51 Å²	51	24 Å²	24	27%	0.267	14%	0.137	S	C	.	.			trans	-66.7	120.1	172.7	-62.8	-179.3	0	0	0	109.3	S40 I73 L117 S118 L119	S40-L115 PolarHBondContact O-N 2.96Å; I73-L115 HydrophobicContact CG2-CD1 3.86Å; L115-L117 VanDerWaalsContact C-N 3.26Å; L115-L117 PolarHBondContact O-N 2.78Å; L115-L117 VanDerWaalsContact O-N 3.17Å; L115-S118 PolarHBondContact O-N 3.21Å; L115-L119 WeakPolarHBondContact O-CG 3.21Å; L115-L119 PolarHBondContact O-N 3.49Å
116	A	97.3	Very high	98	Very high	35 Å²	35	22.2 Å²	22.2	29%	0.289	13%	0.125	S	C	.	.	H	α-helix	trans	-48.8	-46.9	-178	0	0	0	0	0	113	G114 S118 G120 Y381 P383	G114-A116 PolarHBondContact O-N 3Å; A116-S118 VanDerWaalsContact C-N 3.32Å; A116-S118 PolarHBondContact O-N 2.75Å; A116-G120 PolarHBondContact O-N 2.85Å; A116-G120 VanDerWaalsContact O-N 3.1Å; A116-Y381 HydrophobicContact CB-CE2 3.8Å; A116-Y381 WeakPolarHBondContact O-CE2 3.34Å; A116-P383 HydrophobicContact CB-CB 4.12Å; A116-P383 HydrophobicContact CB-CG 3.55Å
117	L	97.6	Very high	98	Very high	64 Å²	64	23.5 Å²	23.5	34%	0.335	13%	0.132	S	C	.	.	H	α-helix	trans	-66.1	-33.3	-179.2	-60.8	-177.6	0	0	0	112.8	P75 T76 Q79 L115	P75-L117 HydrophobicContact CB-CD1 4.28Å; T76-L117 HydrophobicContact CG2-CD1 4.2Å; Q79-L117 HydrophobicContact CB-CB 3.87Å; Q79-L117 HydrophobicContact CG-CB 4.08Å; L115-L117 VanDerWaalsContact C-N 3.26Å; L115-L117 PolarHBondContact O-N 2.78Å; L115-L117 VanDerWaalsContact O-N 3.17Å
118	S	98.1	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-78.7	-45	178.5	-55.3	0	0	0	0	111.6	T39 C41 H82 L115 A116 G120 I121 G122	T39-S118 CarbonylContact O-C 3.12Å; T39-S118 WeakPolarHBondContact O-CB 3.49Å; T39-S118 PolarHBondContact OG1-O 3.22Å; T39-S118 VanDerWaalsContact OG1-O 3.06Å; C41-S118 PolarHBondContact O-OG 3.2Å; H82-S118 VanDerWaalsContact CD2-CB 3.46Å; H82-S118 WeakPolarHBondContact CD2-CB 3.37Å; H82-S118 PolarHBondContact CD2-OG 3.07Å; L115-S118 PolarHBondContact O-N 3.21Å; A116-S118 VanDerWaalsContact C-N 3.32Å; A116-S118 PolarHBondContact O-N 2.75Å; S118-G120 VanDerWaalsContact C-N 3.27Å; S118-G120 PolarHBondContact O-N 3.01Å; S118-I121 WeakPolarHBondContact O-CB 3.08Å; S118-I121 PolarHBondContact O-N 3.39Å; S118-G122 PolarHBondContact O-N 3.33Å
119	L	98.5	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56	-42.1	175.6	-71.3	173.2	0	0	0	111.8	T39 T110 L115 I121 G122 L123 Y381	T39-L119 PolarHBondContact O-N 2.94Å; T110-L119 HydrophobicContact CG2-CD2 4.04Å; L115-L119 WeakPolarHBondContact O-CG 3.21Å; L115-L119 PolarHBondContact O-N 3.49Å; L119-I121 PolarHBondContact O-N 2.86Å; L119-G122 PolarHBondContact O-N 3.45Å; L119-L123 WeakPolarHBondContact O-CB 3.38Å; L119-L123 PolarHBondContact O-N 2.93Å; L119-Y381 HydrophobicContact CB-CD2 3.96Å; L119-Y381 HydrophobicContact CB-CG 3.9Å; L119-Y381 HydrophobicContact CD1-CD2 4.1Å
120	G	98.4	Very high	97.9	Very high	21 Å²	21	28.2 Å²	28.2	22%	0.216	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-33.4	177.9	0	0	0	0	0	113.6	A116 S118 H124	A116-G120 PolarHBondContact O-N 2.85Å; A116-G120 VanDerWaalsContact O-N 3.1Å; S118-G120 VanDerWaalsContact C-N 3.27Å; S118-G120 PolarHBondContact O-N 3.01Å; G120-H124 WeakPolarHBondContact O-CB 3.33Å; G120-H124 PolarHBondContact O-N 2.8Å
121	I	98.7	Very high	97.8	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.108	18%	0.18	C	C	.	.	H	α-helix	trans	-68.4	-50.9	177.6	-59.6	-58.2	0	0	0	110.9	Q79 H82 R83 I86 S118 L119 L123 H124 F125	Q79-I121 HydrophobicContact CG-CD1 4Å; Q79-I121 HydrophobicContact CG-CG1 3.95Å; H82-I121 HydrophobicContact CB-CB 4.08Å; H82-I121 HydrophobicContact CB-CG1 4.22Å; H82-I121 HydrophobicContact CB-CG2 3.82Å; R83-I121 HydrophobicContact CB-CD1 4.13Å; I86-I121 HydrophobicContact CD1-CG2 4.19Å; I86-I121 HydrophobicContact CG2-CG2 4.09Å; S118-I121 WeakPolarHBondContact O-CB 3.08Å; S118-I121 PolarHBondContact O-N 3.39Å; L119-I121 PolarHBondContact O-N 2.86Å; I121-L123 PolarHBondContact O-N 3.34Å; I121-H124 PolarHBondContact O-N 3.3Å; I121-F125 WeakPolarHBondContact O-CB 3.35Å; I121-F125 PolarHBondContact O-N 2.96Å
122	G	98.6	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-46.9	178.6	0	0	0	0	0	112.3	T39 S118 L119 S126	T39-G122 WeakPolarHBondContact OG1-CA 3.45Å; T39-G122 PolarHBondContact OG1-N 2.88Å; S118-G122 PolarHBondContact O-N 3.33Å; L119-G122 PolarHBondContact O-N 3.45Å; G122-S126 WeakPolarHBondContact O-CB 3.39Å; G122-S126 PolarHBondContact O-N 3.35Å; G122-S126 PolarHBondContact O-OG 3.29Å
123	L	98.6	Very high	97.8	Very high	9 Å²	9	40 Å²	40	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-49.1	179.7	-178.2	58.9	0	0	0	111.9	V111 L119 I121 F125 S126 L127 F137 V379 Y381	V111-L123 HydrophobicContact CG1-CD1 3.91Å; L119-L123 WeakPolarHBondContact O-CB 3.38Å; L119-L123 PolarHBondContact O-N 2.93Å; I121-L123 PolarHBondContact O-N 3.34Å; L123-F125 PolarHBondContact O-N 3.01Å; L123-S126 PolarHBondContact O-N 3.25Å; L123-L127 HydrophobicContact CD1-CD1 3.88Å; L123-L127 HydrophobicContact CD1-CD2 4.27Å; L123-L127 HydrophobicContact CD1-CG 3.83Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 HydrophobicContact CG-CG 4.27Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 2.72Å; L123-F137 HydrophobicContact CD1-CE1 4.18Å; L123-F137 HydrophobicContact CD1-CE2 4.48Å; L123-F137 HydrophobicContact CD1-CZ 3.68Å; L123-V379 HydrophobicContact CD1-CB 4.22Å; L123-V379 HydrophobicContact CD1-CG1 4.11Å; L123-V379 WeakPolarHBondContact CD2-O 3.41Å; L123-Y381 HydrophobicContact CD2-CD1 4.05Å
124	H	98.4	Very high	97.8	Very high	121 Å²	121	46.2 Å²	46.2	56%	0.56	24%	0.241	S	C	*	.	H	α-helix	trans	-60.6	-45.7	-179.4	-178.6	73.9	0	0	0	112.2	G120 I121 S126 L127 N128	G120-H124 WeakPolarHBondContact O-CB 3.33Å; G120-H124 PolarHBondContact O-N 2.8Å; I121-H124 PolarHBondContact O-N 3.3Å; H124-S126 VanDerWaalsContact C-N 3.32Å; H124-S126 PolarHBondContact O-N 3.42Å; H124-L127 PolarHBondContact O-N 2.94Å; H124-N128 PolarHBondContact CD2-ND2 2.95Å; H124-N128 PolarHBondContact CE1-ND2 2.77Å; H124-N128 PolarHBondContact NE2-ND2 2.93Å; H124-N128 VanDerWaalsContact O-CG 3.32Å; H124-N128 PolarHBondContact O-N 3.24Å; H124-N128 VanDerWaalsContact O-N 3.12Å; H124-N128 PolarHBondContact O-ND2 3.34Å
125	F	98.6	Very high	97.9	Very high	51 Å²	51	46.6 Å²	46.6	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-46.8	175.8	-179.7	-83.9	0	0	0	111.4	I37 I86 V90 I121 L123 N128 F129	I37-F125 HydrophobicContact CD1-CD1 4.1Å; I37-F125 HydrophobicContact CD1-CE1 4.23Å; I86-F125 HydrophobicContact CD1-CB 3.46Å; I86-F125 VanDerWaalsContact CD1-CB 3.46Å; I86-F125 HydrophobicContact CD1-CD1 4Å; I86-F125 HydrophobicContact CD1-CD2 4.26Å; I86-F125 HydrophobicContact CD1-CG 3.64Å; I86-F125 HydrophobicContact CG1-CB 4.18Å; I86-F125 HydrophobicContact CG1-CD1 4.06Å; I86-F125 HydrophobicContact CG1-CD2 4.03Å; I86-F125 HydrophobicContact CG1-CE2 4.48Å; I86-F125 HydrophobicContact CG1-CG 3.81Å; I86-F125 HydrophobicContact CG2-CB 4.5Å; I86-F125 HydrophobicContact CG2-CD2 3.84Å; I86-F125 HydrophobicContact CG2-CE2 4.43Å; I86-F125 HydrophobicContact CG2-CG 4.3Å; V90-F125 HydrophobicContact CB-CE1 3.89Å; V90-F125 HydrophobicContact CB-CZ 3.9Å; V90-F125 HydrophobicContact CG1-CE1 3.88Å; V90-F125 HydrophobicContact CG1-CZ 4.07Å; V90-F125 HydrophobicContact CG2-CD1 4.33Å; V90-F125 HydrophobicContact CG2-CE1 3.63Å; V90-F125 HydrophobicContact CG2-CZ 4.05Å; I121-F125 WeakPolarHBondContact O-CB 3.35Å; I121-F125 PolarHBondContact O-N 2.96Å; L123-F125 PolarHBondContact O-N 3.01Å; F125-N128 PolarHBondContact O-N 3.4Å; F125-F129 HydrophobicContact CE1-CD2 4.41Å; F125-F129 WeakPolarHBondContact O-CB 3.22Å; F125-F129 PolarHBondContact O-N 2.84Å
126	S	98.5	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-42.6	-176.9	-54.4	0	0	0	0	112.1	I37 T109 G122 L123 H124 N128 F129 V130	I37-S126 WeakPolarHBondContact CD1-OG 3.5Å; T109-S126 VanDerWaalsContact CG2-OG 3.32Å; T109-S126 WeakPolarHBondContact CG2-OG 3.4Å; T109-S126 WeakPolarHBondContact OG1-CB 3.47Å; T109-S126 PolarHBondContact OG1-OG 2.95Å; G122-S126 WeakPolarHBondContact O-CB 3.39Å; G122-S126 PolarHBondContact O-N 3.35Å; G122-S126 PolarHBondContact O-OG 3.29Å; L123-S126 PolarHBondContact O-N 3.25Å; H124-S126 VanDerWaalsContact C-N 3.32Å; H124-S126 PolarHBondContact O-N 3.42Å; S126-N128 VanDerWaalsContact C-N 3.34Å; S126-N128 PolarHBondContact O-N 3.5Å; S126-F129 WeakPolarHBondContact O-CB 3.37Å; S126-F129 PolarHBondContact O-N 3.19Å; S126-V130 WeakPolarHBondContact O-CG1 3.5Å; S126-V130 WeakPolarHBondContact O-CG2 3.38Å; S126-V130 PolarHBondContact O-N 3.37Å
127	L	98.4	Very high	98.1	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.141	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-39	177.2	-69.8	180	0	0	0	111.9	L123 H124 V130 K131 F137 V379	L123-L127 HydrophobicContact CD1-CD1 3.88Å; L123-L127 HydrophobicContact CD1-CD2 4.27Å; L123-L127 HydrophobicContact CD1-CG 3.83Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 HydrophobicContact CG-CG 4.27Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 2.72Å; H124-L127 PolarHBondContact O-N 2.94Å; L127-V130 HydrophobicContact CD2-CG2 4.46Å; L127-V130 VanDerWaalsContact O-CG2 3.32Å; L127-V130 WeakPolarHBondContact O-CG2 3.32Å; L127-K131 WeakPolarHBondContact O-CB 3.2Å; L127-K131 WeakPolarHBondContact O-CG 3.21Å; L127-K131 PolarHBondContact O-N 3.27Å; L127-K131 VanDerWaalsContact O-N 3.09Å; L127-F137 HydrophobicContact CD2-CD1 4.42Å; L127-F137 HydrophobicContact CD2-CD2 4.49Å; L127-F137 HydrophobicContact CD2-CG 4.4Å; L127-V379 HydrophobicContact CD2-CG2 4.49Å
128	N	98	Very high	98.1	Very high	79 Å²	79	41.6 Å²	41.6	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-65.3	-43.8	173.4	-68.5	-19	0	0	0	111.4	H124 F125 S126 K131 L132	H124-N128 PolarHBondContact CD2-ND2 2.95Å; H124-N128 PolarHBondContact CE1-ND2 2.77Å; H124-N128 PolarHBondContact NE2-ND2 2.93Å; H124-N128 VanDerWaalsContact O-CG 3.32Å; H124-N128 PolarHBondContact O-N 3.24Å; H124-N128 VanDerWaalsContact O-N 3.12Å; H124-N128 PolarHBondContact O-ND2 3.34Å; F125-N128 PolarHBondContact O-N 3.4Å; S126-N128 VanDerWaalsContact C-N 3.34Å; S126-N128 PolarHBondContact O-N 3.5Å; N128-K131 PolarHBondContact O-N 3.43Å; N128-L132 WeakPolarHBondContact O-CB 3.36Å; N128-L132 PolarHBondContact O-N 3.41Å
129	F	98.1	Very high	98.1	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.088	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-48.4	178.4	-176	-78.2	0	0	0	111.9	L35 Q101 L104 V107 F125 S126 K131 L132 H133	L35-F129 HydrophobicContact CD2-CE1 4.09Å; L35-F129 HydrophobicContact CD2-CE2 4.34Å; L35-F129 HydrophobicContact CD2-CZ 3.9Å; Q101-F129 HydrophobicContact CB-CZ 4.17Å; Q101-F129 HydrophobicContact CG-CE2 3.92Å; Q101-F129 HydrophobicContact CG-CZ 3.59Å; L104-F129 HydrophobicContact CD1-CE1 3.83Å; L104-F129 HydrophobicContact CD1-CZ 3.87Å; V107-F129 HydrophobicContact CG2-CD1 3.7Å; V107-F129 HydrophobicContact CG2-CE1 3.68Å; F125-F129 HydrophobicContact CE1-CD2 4.41Å; F125-F129 WeakPolarHBondContact O-CB 3.22Å; F125-F129 PolarHBondContact O-N 2.84Å; S126-F129 WeakPolarHBondContact O-CB 3.37Å; S126-F129 PolarHBondContact O-N 3.19Å; F129-K131 PolarHBondContact O-N 2.97Å; F129-L132 PolarHBondContact O-N 2.91Å; F129-H133 AromaticContact CD1-CD2 3.84Å; F129-H133 AromaticContact CD2-CD2 3.85Å; F129-H133 AromaticContact CE1-CD2 3.79Å; F129-H133 AromaticContact CE2-CD2 3.8Å; F129-H133 AromaticContact CG-CD2 3.88Å; F129-H133 AromaticContact CZ-CD2 3.78Å; F129-H133 WeakPolarHBondContact O-CB 3.46Å; F129-H133 PolarHBondContact O-CD2 2.86Å; F129-H133 PolarHBondContact O-N 3.28Å
130	V	97.9	Very high	98.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.5	-34.2	-179.1	-63	0	0	0	0	112.6	V107 S126 L127 Q134 K135 F137 H375	V107-V130 HydrophobicContact CB-CG1 3.6Å; V107-V130 HydrophobicContact CG1-CG1 4.33Å; V107-V130 HydrophobicContact CG2-CG1 3.65Å; S126-V130 WeakPolarHBondContact O-CG1 3.5Å; S126-V130 WeakPolarHBondContact O-CG2 3.38Å; S126-V130 PolarHBondContact O-N 3.37Å; L127-V130 HydrophobicContact CD2-CG2 4.46Å; L127-V130 VanDerWaalsContact O-CG2 3.32Å; L127-V130 WeakPolarHBondContact O-CG2 3.32Å; V130-Q134 CarbonylContact O-C 3.06Å; V130-Q134 WeakPolarHBondContact O-CA 3.32Å; V130-Q134 PolarHBondContact O-N 3.24Å; V130-K135 HydrophobicContact CB-CB 4.45Å; V130-K135 WeakPolarHBondContact CB-O 3.26Å; V130-K135 HydrophobicContact CG1-CB 4.3Å; V130-K135 PolarHBondContact O-N 3.24Å; V130-F137 HydrophobicContact CG1-CB 4.26Å; V130-F137 HydrophobicContact CG1-CD2 4.11Å; V130-F137 HydrophobicContact CG2-CB 4.35Å; V130-H375 HydrophobicContact CB-CB 4.38Å; V130-H375 HydrophobicContact CG2-CB 4.36Å
131	K	97.3	Very high	98.1	Very high	114 Å²	114	42.5 Å²	42.5	50%	0.496	21%	0.209	S	C	.	.	H	α-helix	trans	-65	-46.1	173.1	-76.1	173.9	-177.1	-177.7	0	111.4	L127 N128 F129 H133 H375	L127-K131 WeakPolarHBondContact O-CB 3.2Å; L127-K131 WeakPolarHBondContact O-CG 3.21Å; L127-K131 PolarHBondContact O-N 3.27Å; L127-K131 VanDerWaalsContact O-N 3.09Å; N128-K131 PolarHBondContact O-N 3.43Å; F129-K131 PolarHBondContact O-N 2.97Å; K131-H133 PolarHBondContact O-N 3.32Å; K131-H375 VanDerWaalsContact CG-O 3.28Å; K131-H375 WeakPolarHBondContact CG-O 3.41Å
132	L	97.4	Very high	98.1	Very high	130 Å²	130	41.9 Å²	41.9	68%	0.681	21%	0.206	S	C	*	.	H	α-helix	trans	-64.2	-39.8	180	-179	62.2	0	0	0	112.5	N128 F129	N128-L132 WeakPolarHBondContact O-CB 3.36Å; N128-L132 PolarHBondContact O-N 3.41Å; F129-L132 PolarHBondContact O-N 2.91Å
133	H	97.4	Very high	98	Very high	62 Å²	62	42.2 Å²	42.2	29%	0.287	21%	0.207	S	C	.	.	H	α-helix	trans	-103.4	6.6	-174.9	-60.1	-59.3	0	0	0	114.2	Q101 F129 K131 K135	Q101-H133 HydrophobicContact CB-CB 4.25Å; F129-H133 AromaticContact CD1-CD2 3.84Å; F129-H133 AromaticContact CD2-CD2 3.85Å; F129-H133 AromaticContact CE1-CD2 3.79Å; F129-H133 AromaticContact CE2-CD2 3.8Å; F129-H133 AromaticContact CG-CD2 3.88Å; F129-H133 AromaticContact CZ-CD2 3.78Å; F129-H133 WeakPolarHBondContact O-CB 3.46Å; F129-H133 PolarHBondContact O-CD2 2.86Å; F129-H133 PolarHBondContact O-N 3.28Å; K131-H133 PolarHBondContact O-N 3.32Å; H133-K135 VanDerWaalsContact C-N 3.29Å; H133-K135 HydrophobicContact CB-CG 4Å; H133-K135 WeakPolarHBondContact O-CD 3.43Å; H133-K135 WeakPolarHBondContact O-CG 3.34Å; H133-K135 PolarHBondContact O-N 2.91Å
134	Q	97.2	Very high	98	Very high	143 Å²	143	42.5 Å²	42.5	67%	0.668	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	47.1	-179.1	-61.6	179.1	-26.7	0	0	112.8	V130	V130-Q134 CarbonylContact O-C 3.06Å; V130-Q134 WeakPolarHBondContact O-CA 3.32Å; V130-Q134 PolarHBondContact O-N 3.24Å
135	K	97.5	Very high	97.9	Very high	30 Å²	30	36.8 Å²	36.8	13%	0.13	18%	0.182	C	C	.	.			trans	-101.2	144.5	-177.9	-63.9	-48.3	-172	173.9	0	112.6	Q101 S102 L104 V107 V130 H133 H375	Q101-K135 WeakPolarHBondContact O-CE 3.31Å; S102-K135 PolarHBondContact O-NZ 2.86Å; L104-K135 WeakPolarHBondContact O-CD 3.39Å; L104-K135 WeakPolarHBondContact O-CE 3.47Å; L104-K135 PolarHBondContact O-NZ 2.92Å; V107-K135 HydrophobicContact CG2-CB 4.44Å; V130-K135 HydrophobicContact CB-CB 4.45Å; V130-K135 WeakPolarHBondContact CB-O 3.26Å; V130-K135 HydrophobicContact CG1-CB 4.3Å; V130-K135 PolarHBondContact O-N 3.24Å; H133-K135 VanDerWaalsContact C-N 3.29Å; H133-K135 HydrophobicContact CB-CG 4Å; H133-K135 WeakPolarHBondContact O-CD 3.43Å; H133-K135 WeakPolarHBondContact O-CG 3.34Å; H133-K135 PolarHBondContact O-N 2.91Å; K135-H375 WeakPolarHBondContact O-CB 3.49Å
136	P	97.8	Very high	97.8	Very high	45 Å²	45	34.6 Å²	34.6	29%	0.292	17%	0.173	S	C	.	.			trans	-57.9	148.1	167.5	-22.6	33.2	0	0	0	111.7	S105 A106 V107 I372 L373	S105-P136 VanDerWaalsContact O-CD 3.3Å; S105-P136 WeakPolarHBondContact O-CD 3.23Å; S105-P136 WeakPolarHBondContact O-CG 3.42Å; A106-P136 WeakPolarHBondContact CA-O 3.39Å; A106-P136 HydrophobicContact CB-CB 4.25Å; V107-P136 PolarHBondContact N-O 2.93Å; P136-I372 HydrophobicContact CB-CG2 3.66Å; P136-L373 WeakPolarHBondContact CA-O 3.43Å
137	F	98.6	Very high	97.8	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.5	178.4	-178.5	-101.4	0	0	0	110.4	V107 V111 L123 L127 V130 P139 L373 V379	V107-F137 CarbonylContact O-C 3.53Å; V107-F137 WeakPolarHBondContact O-CA 3.44Å; V111-F137 HydrophobicContact CG1-CE1 4.45Å; V111-F137 HydrophobicContact CG1-CZ 4.16Å; L123-F137 HydrophobicContact CD1-CE1 4.18Å; L123-F137 HydrophobicContact CD1-CE2 4.48Å; L123-F137 HydrophobicContact CD1-CZ 3.68Å; L127-F137 HydrophobicContact CD2-CD1 4.42Å; L127-F137 HydrophobicContact CD2-CD2 4.49Å; L127-F137 HydrophobicContact CD2-CG 4.4Å; V130-F137 HydrophobicContact CG1-CB 4.26Å; V130-F137 HydrophobicContact CG1-CD2 4.11Å; V130-F137 HydrophobicContact CG2-CB 4.35Å; F137-P139 HydrophobicContact CE1-CB 4.03Å; F137-L373 HydrophobicContact CD1-CD1 4.39Å; F137-L373 PolarHBondContact N-O 3.35Å; F137-L373 PolarHBondContact O-N 3.12Å; F137-V379 HydrophobicContact CD1-CG2 3.92Å; F137-V379 HydrophobicContact CE1-CB 4.25Å; F137-V379 HydrophobicContact CE1-CG1 4.03Å; F137-V379 HydrophobicContact CE1-CG2 3.92Å
138	I	98.6	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	106.2	179.1	-55.9	175.5	0	0	0	108.4	A106 V107 A108 T109 I140 R365 L366 I372	A106-I138 HydrophobicContact CB-CD1 3.59Å; A106-I138 HydrophobicContact CB-CG1 4Å; V107-I138 PolarHBondContact O-N 2.84Å; A108-I138 VanDerWaalsContact CA-O 3.29Å; A108-I138 WeakPolarHBondContact CA-O 3.43Å; A108-I138 HydrophobicContact CB-CB 4.15Å; T109-I138 PolarHBondContact N-O 3.03Å; I138-I140 HydrophobicContact CG2-CD1 3.61Å; I138-I140 HydrophobicContact CG2-CG1 4.43Å; I138-I140 PolarHBondContact O-N 3.36Å; I138-R365 HydrophobicContact CD1-CB 4.4Å; I138-R365 HydrophobicContact CG2-CB 3.93Å; I138-R365 HydrophobicContact CG2-CG 4.01Å; I138-L366 HydrophobicContact CD1-CD2 3.81Å; I138-L366 HydrophobicContact CD1-CG 3.72Å; I138-I372 HydrophobicContact CD1-CG1 4.39Å; I138-I372 HydrophobicContact CG1-CG1 4.4Å
139	P	98.4	Very high	97.6	Very high	33 Å²	33	29.6 Å²	29.6	21%	0.214	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.7	172.1	27	-31.4	0	0	0	110.1	V111 F137 G371 L373 V379	V111-P139 HydrophobicContact CB-CB 4.45Å; V111-P139 HydrophobicContact CG1-CB 4.03Å; V111-P139 HydrophobicContact CG2-CB 3.56Å; F137-P139 HydrophobicContact CE1-CB 4.03Å; P139-G371 WeakPolarHBondContact CD-O 3.43Å; P139-L373 HydrophobicContact CG-CD1 3.9Å; P139-L373 HydrophobicContact CG-CG 4.44Å; P139-V379 HydrophobicContact CB-CG1 4.4Å
140	I	98.6	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.2	-177.2	-60.9	-61.1	0	0	0	111	A108 T109 T110 V111 I138 A145 I358 N361 R365	A108-I140 HydrophobicContact CB-CD1 4.17Å; A108-I140 HydrophobicContact CB-CG1 3.81Å; T109-I140 PolarHBondContact O-N 2.7Å; T110-I140 WeakPolarHBondContact CA-O 3.36Å; V111-I140 PolarHBondContact N-O 2.88Å; I138-I140 HydrophobicContact CG2-CD1 3.61Å; I138-I140 HydrophobicContact CG2-CG1 4.43Å; I138-I140 PolarHBondContact O-N 3.36Å; I140-A145 HydrophobicContact CG2-CB 4Å; I140-I358 HydrophobicContact CB-CG2 4.13Å; I140-I358 HydrophobicContact CG1-CG2 3.88Å; I140-I358 HydrophobicContact CG2-CD1 3.76Å; I140-I358 HydrophobicContact CG2-CG2 4.26Å; I140-N361 HydrophobicContact CD1-CB 4.11Å; I140-N361 WeakPolarHBondContact CD1-OD1 3.49Å; I140-N361 HydrophobicContact CG2-CB 4.28Å; I140-N361 WeakPolarHBondContact CG2-OD1 3.48Å; I140-R365 HydrophobicContact CD1-CG 4.36Å
141	H	98.4	Very high	97.3	Very high	7 Å²	7	31 Å²	31	3%	0.032	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.3	166.4	-171.1	-60.3	0	0	0	109.5	K112 P113 M143 E144 A145	K112-H141 HydrophobicContact CG-CB 4.19Å; K112-H141 CarbonylContact O-C 3.59Å; K112-H141 VanDerWaalsContact O-CA 3.25Å; K112-H141 WeakPolarHBondContact O-CA 3.32Å; P113-H141 WeakPolarHBondContact CD-CE1 3.23Å; H141-M143 VanDerWaalsContact C-N 3.33Å; H141-M143 PolarHBondContact ND1-N 3.43Å; H141-M143 VanDerWaalsContact ND1-N 3.19Å; H141-M143 PolarHBondContact O-N 3.29Å; H141-E144 HydrophobicContact CB-CB 4.1Å; H141-E144 VanDerWaalsContact CB-CD 3.42Å; H141-E144 HydrophobicContact CB-CG 3.64Å; H141-E144 WeakPolarHBondContact O-CA 3.34Å; H141-E144 WeakPolarHBondContact O-CB 3.42Å; H141-E144 PolarHBondContact O-N 3.17Å; H141-A145 PolarHBondContact O-N 3.46Å; H141-A145 VanDerWaalsContact O-N 3.08Å
142	H	97.6	Very high	97.2	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.032	13%	0.132	C	C	.	.	H	α-helix	trans	-51.6	-45.2	-176.2	-177	69.1	0	0	0	113.4	E38 S40 T110 K112 E144 A145 H146 D353 M357	E38-H142 IonicContact OE1-CE1 2.7Å; E38-H142 IonicContact OE1-ND1 3.3Å; E38-H142 IonicContact OE2-CE1 3.82Å; E38-H142 IonicContact OE2-ND1 3.87Å; E38-H142 PolarHBondContact OE2-ND1 3.03Å; S40-H142 PolarHBondContact OG-CE1 3.34Å; S40-H142 PolarHBondContact OG-ND1 3.5Å; T110-H142 HydrophobicContact CG2-CB 3.63Å; K112-H142 WeakPolarHBondContact O-CB 3.36Å; K112-H142 PolarHBondContact O-N 3.32Å; H142-E144 PolarHBondContact O-N 3.04Å; H142-A145 WeakPolarHBondContact O-CB 3.32Å; H142-A145 PolarHBondContact O-N 3.12Å; H142-H146 AromaticContact CE1-CD2 3.75Å; H142-H146 AromaticContact CE1-NE2 3.49Å; H142-H146 PolarHBondContact CE1-NE2 2.93Å; H142-H146 AromaticContact NE2-CD2 3.53Å; H142-H146 AromaticContact NE2-NE2 3.43Å; H142-H146 PolarHBondContact NE2-NE2 3.48Å; H142-H146 PolarHBondContact O-N 3.08Å; H142-H146 VanDerWaalsContact O-N 3.12Å; H142-D353 IonicContact CE1-OD1 3.95Å; H142-D353 PolarHBondContact CE1-OD1 2.92Å; H142-D353 IonicContact CE1-OD2 3.76Å; H142-D353 IonicContact NE2-OD1 2.81Å; H142-D353 PolarHBondContact NE2-OD1 3.39Å; H142-D353 IonicContact NE2-OD2 2.72Å; H142-M357 WeakPolarHBondContact CE1-CE 3.35Å; H142-M357 WeakPolarHBondContact ND1-CE 3.25Å
143	M	96.8	Very high	96.9	Very high	7 Å²	7	24 Å²	24	3%	0.034	12%	0.119	C	C	.	.	H	α-helix	trans	-68.5	-31.1	176.7	-59.8	-71.6	107.7	0	0	113.4	P113 H141 A147 L164 H169 L171 L387	P113-M143 HydrophobicContact CG-CG 4.34Å; H141-M143 VanDerWaalsContact C-N 3.33Å; H141-M143 PolarHBondContact ND1-N 3.43Å; H141-M143 VanDerWaalsContact ND1-N 3.19Å; H141-M143 PolarHBondContact O-N 3.29Å; M143-A147 WeakPolarHBondContact O-CB 3.48Å; M143-A147 PolarHBondContact O-N 3.23Å; M143-L164 HydrophobicContact CB-CD1 3.84Å; M143-L164 HydrophobicContact CG-CD1 4.43Å; M143-L164 VanDerWaalsContact O-CD1 3.32Å; M143-L164 WeakPolarHBondContact O-CD1 3.4Å; M143-L164 HydrophobicContact SD-CD1 3.82Å; M143-H169 HydrophobicContact CE-CB 4.42Å; M143-H169 WeakPolarHBondContact CE-ND1 3.35Å; M143-H169 HydrophobicContact SD-CB 4.08Å; M143-L171 HydrophobicContact CG-CD2 4.12Å; M143-L171 HydrophobicContact SD-CD2 3.85Å; M143-L387 HydrophobicContact CB-CB 4.49Å; M143-L387 HydrophobicContact CB-CD1 4.14Å; M143-L387 HydrophobicContact CB-CD2 4.24Å
144	E	97.8	Very high	96.5	Very high	16 Å²	16	25.1 Å²	25.1	8%	0.075	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-41.9	175.6	-62.9	175.4	178.2	0	0	109.6	H141 H142 H146 A147 L148 F181 R365 L387	H141-E144 HydrophobicContact CB-CB 4.1Å; H141-E144 VanDerWaalsContact CB-CD 3.42Å; H141-E144 HydrophobicContact CB-CG 3.64Å; H141-E144 WeakPolarHBondContact O-CA 3.34Å; H141-E144 WeakPolarHBondContact O-CB 3.42Å; H141-E144 PolarHBondContact O-N 3.17Å; H142-E144 PolarHBondContact O-N 3.04Å; E144-H146 PolarHBondContact O-N 3.35Å; E144-A147 WeakPolarHBondContact O-CB 3.42Å; E144-A147 PolarHBondContact O-N 2.84Å; E144-L148 HydrophobicContact CB-CD1 4.45Å; E144-L148 WeakPolarHBondContact O-CB 3.37Å; E144-L148 WeakPolarHBondContact O-CD1 3.5Å; E144-L148 VanDerWaalsContact O-CG 3.23Å; E144-L148 WeakPolarHBondContact O-CG 3.44Å; E144-L148 PolarHBondContact O-N 2.74Å; E144-F181 HydrophobicContact CB-CE2 4.09Å; E144-F181 HydrophobicContact CB-CZ 4.23Å; E144-F181 HydrophobicContact CG-CD2 4.09Å; E144-F181 HydrophobicContact CG-CE2 3.58Å; E144-F181 HydrophobicContact CG-CZ 4.13Å; E144-R365 IonicContact OE1-NH2 2.81Å; E144-R365 IonicContact OE2-CZ 3.31Å; E144-R365 IonicContact OE2-NH2 3.02Å; E144-R365 PolarHBondContact OE2-NH2 3.19Å; E144-L387 HydrophobicContact CG-CD1 3.73Å
145	A	97.4	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-46.4	175.9	0	0	0	0	0	112.3	I140 H141 H142 A147 L148 T149 M357 I358 N361	I140-A145 HydrophobicContact CG2-CB 4Å; H141-A145 PolarHBondContact O-N 3.46Å; H141-A145 VanDerWaalsContact O-N 3.08Å; H142-A145 WeakPolarHBondContact O-CB 3.32Å; H142-A145 PolarHBondContact O-N 3.12Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A145-A147 PolarHBondContact O-N 3.44Å; A145-L148 PolarHBondContact O-N 2.81Å; A145-T149 PolarHBondContact O-N 2.74Å; A145-T149 PolarHBondContact O-OG1 2.69Å; A145-M357 HydrophobicContact CB-CB 4.16Å; A145-M357 HydrophobicContact CB-CG 4.07Å; A145-M357 HydrophobicContact CB-SD 4.47Å; A145-I358 HydrophobicContact CB-CD1 3.55Å; A145-N361 HydrophobicContact CB-CB 4.09Å
146	H	96.7	Very high	95.9	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-42	173.7	-89.9	-65.2	0	0	0	112.9	H142 E144 L164 S319 C351 D353 M357	H142-H146 AromaticContact CE1-CD2 3.75Å; H142-H146 AromaticContact CE1-NE2 3.49Å; H142-H146 PolarHBondContact CE1-NE2 2.93Å; H142-H146 AromaticContact NE2-CD2 3.53Å; H142-H146 AromaticContact NE2-NE2 3.43Å; H142-H146 PolarHBondContact NE2-NE2 3.48Å; H142-H146 PolarHBondContact O-N 3.08Å; H142-H146 VanDerWaalsContact O-N 3.12Å; E144-H146 PolarHBondContact O-N 3.35Å; H146-L164 HydrophobicContact CB-CD1 4.14Å; H146-L164 HydrophobicContact CB-CD2 4.03Å; H146-S319 WeakPolarHBondContact O-CB 3.38Å; H146-S319 PolarHBondContact O-OG 2.96Å; H146-C351 PolarHBondContact CE1-O 2.9Å; H146-D353 IonicContact CE1-OD1 2.73Å; H146-D353 PolarHBondContact CE1-OD1 3.39Å; H146-D353 IonicContact NE2-OD1 3.7Å; H146-D353 PolarHBondContact NE2-OD1 3.25Å; H146-M357 VanDerWaalsContact CE1-SD 3.52Å
147	A	97.1	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-38.3	179.5	0	0	0	0	0	112.7	M143 E144 A145 V162 L164 F181	M143-A147 WeakPolarHBondContact O-CB 3.48Å; M143-A147 PolarHBondContact O-N 3.23Å; E144-A147 WeakPolarHBondContact O-CB 3.42Å; E144-A147 PolarHBondContact O-N 2.84Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A145-A147 PolarHBondContact O-N 3.44Å; A147-V162 HydrophobicContact CB-CG1 3.79Å; A147-V162 HydrophobicContact CB-CG2 4.2Å; A147-L164 HydrophobicContact CB-CD2 4.41Å; A147-F181 HydrophobicContact CB-CE1 3.76Å; A147-F181 HydrophobicContact CB-CZ 4.11Å
148	L	96.9	Very high	95.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-91.3	-11.5	-172.4	-63.7	167.3	0	0	0	113.5	E144 A145 V150 R151 F158 F160 I178 F181 W360 N361	E144-L148 HydrophobicContact CB-CD1 4.45Å; E144-L148 WeakPolarHBondContact O-CB 3.37Å; E144-L148 WeakPolarHBondContact O-CD1 3.5Å; E144-L148 VanDerWaalsContact O-CG 3.23Å; E144-L148 WeakPolarHBondContact O-CG 3.44Å; E144-L148 PolarHBondContact O-N 2.74Å; A145-L148 PolarHBondContact O-N 2.81Å; L148-V150 PolarHBondContact O-N 3.09Å; L148-V150 VanDerWaalsContact O-N 3.13Å; L148-R151 VanDerWaalsContact O-CB 3.25Å; L148-R151 WeakPolarHBondContact O-CB 3.5Å; L148-R151 PolarHBondContact O-N 2.75Å; L148-F158 HydrophobicContact CD2-CE1 3.75Å; L148-F158 HydrophobicContact CD2-CZ 3.59Å; L148-F160 HydrophobicContact CD2-CZ 4.17Å; L148-I178 HydrophobicContact CD1-CB 4.17Å; L148-I178 WeakPolarHBondContact CD1-O 3.37Å; L148-F181 HydrophobicContact CG-CZ 4.41Å; L148-W360 PolarHBondContact O-NE1 2.95Å; L148-W360 VanDerWaalsContact O-NE1 3.08Å; L148-N361 WeakPolarHBondContact CD1-ND2 3.09Å
149	T	95.6	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-36.6	-178.1	-67.9	0	0	0	0	113.1	A145 R151 M152 P346 F350 M357	A145-T149 PolarHBondContact O-N 2.74Å; A145-T149 PolarHBondContact O-OG1 2.69Å; T149-R151 PolarHBondContact O-N 3.46Å; T149-M152 VanDerWaalsContact O-CB 3.23Å; T149-M152 WeakPolarHBondContact O-CB 3.39Å; T149-M152 PolarHBondContact O-N 3.32Å; T149-P346 HydrophobicContact CG2-CB 4.26Å; T149-P346 HydrophobicContact CG2-CG 4.22Å; T149-F350 HydrophobicContact CG2-CB 3.83Å; T149-M357 WeakPolarHBondContact OG1-CB 3.42Å
150	V	95.3	Very high	95.6	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-29.4	178.7	72.9	0	0	0	0	112.8	L148 M152 L153 Q154 V156 V317 L344 P346	L148-V150 PolarHBondContact O-N 3.09Å; L148-V150 VanDerWaalsContact O-N 3.13Å; V150-M152 PolarHBondContact O-N 3.47Å; V150-L153 WeakPolarHBondContact O-CB 3.37Å; V150-L153 PolarHBondContact O-N 3.37Å; V150-Q154 HydrophobicContact CG2-CG 4.44Å; V150-Q154 PolarHBondContact O-N 3.1Å; V150-V156 HydrophobicContact CG1-CG2 3.86Å; V150-V156 HydrophobicContact CG2-CG2 4.42Å; V150-V317 HydrophobicContact CB-CG1 3.94Å; V150-V317 HydrophobicContact CG1-CB 4.28Å; V150-V317 HydrophobicContact CG1-CG1 3.57Å; V150-V317 HydrophobicContact CG1-CG2 3.67Å; V150-L344 HydrophobicContact CG2-CB 3.87Å; V150-L344 HydrophobicContact CG2-CD1 4.16Å; V150-P346 HydrophobicContact CB-CG 4.22Å
151	R	95.7	Very high	95.6	Very high	47 Å²	47	28.7 Å²	28.7	18%	0.177	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-20.3	-178.5	-64.8	168.5	56.1	80.9	7.2	112.5	L148 T149 L153 Q154 V156 F158 F160 W360 E364	L148-R151 VanDerWaalsContact O-CB 3.25Å; L148-R151 WeakPolarHBondContact O-CB 3.5Å; L148-R151 PolarHBondContact O-N 2.75Å; T149-R151 PolarHBondContact O-N 3.46Å; R151-L153 VanDerWaalsContact C-N 3.29Å; R151-Q154 CarbonylContact C-O 3.53Å; R151-Q154 VanDerWaalsContact CA-O 3.3Å; R151-Q154 WeakPolarHBondContact CA-O 3.4Å; R151-V156 HydrophobicContact CG-CB 4.1Å; R151-V156 HydrophobicContact CG-CG2 4.48Å; R151-V156 PolarHBondContact NH1-O 3.35Å; R151-F158 VanDerWaalsContact CZ-CE2 3.45Å; R151-F158 VanDerWaalsContact NH1-CE2 3.33Å; R151-F160 HydrophobicContact CG-CE1 4.49Å; R151-F160 HydrophobicContact CG-CZ 4.46Å; R151-W360 HydrophobicContact CB-CZ2 4.04Å; R151-W360 VanDerWaalsContact O-CZ2 3.28Å; R151-W360 WeakPolarHBondContact O-CZ2 3.32Å; R151-E364 IonicContact CZ-OE2 2.73Å; R151-E364 IonicContact NE-OE2 2.8Å; R151-E364 PolarHBondContact NE-OE2 3.05Å; R151-E364 IonicContact NH2-OE2 3.17Å; R151-E364 PolarHBondContact NH2-OE2 2.66Å
152	M	93.7	Very high	95.6	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.094	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-33.2	171.9	-175.7	-175.4	71.3	0	0	111.8	M49 T149 V150 F350 V356 W360	M49-M152 HydrophobicContact CE-CG 3.76Å; M49-M152 HydrophobicContact CE-SD 3.22Å; M49-M152 WeakPolarHBondContact CE-SD 3.36Å; M49-M152 HydrophobicContact SD-SD 4.02Å; T149-M152 VanDerWaalsContact O-CB 3.23Å; T149-M152 WeakPolarHBondContact O-CB 3.39Å; T149-M152 PolarHBondContact O-N 3.32Å; V150-M152 PolarHBondContact O-N 3.47Å; M152-F350 HydrophobicContact CE-CD1 4.46Å; M152-F350 HydrophobicContact CE-CD2 3.89Å; M152-F350 HydrophobicContact CE-CE1 4.26Å; M152-F350 HydrophobicContact CE-CE2 3.63Å; M152-F350 HydrophobicContact CE-CG 4.3Å; M152-F350 HydrophobicContact CE-CZ 3.82Å; M152-V356 HydrophobicContact CE-CG1 3.89Å; M152-V356 HydrophobicContact SD-CG1 3.49Å; M152-V356 WeakPolarHBondContact SD-CG1 3.46Å; M152-W360 VanDerWaalsContact CA-CE2 3.45Å; M152-W360 VanDerWaalsContact CA-CZ2 3.41Å; M152-W360 HydrophobicContact CB-CD2 3.59Å; M152-W360 HydrophobicContact CB-CE3 4.03Å; M152-W360 HydrophobicContact CB-CG 3.84Å; M152-W360 HydrophobicContact CB-CH2 4.44Å; M152-W360 HydrophobicContact CB-CZ2 4.12Å; M152-W360 HydrophobicContact CB-CZ3 4.43Å; M152-W360 HydrophobicContact CG-CD2 3.98Å; M152-W360 HydrophobicContact CG-CE3 3.95Å; M152-W360 HydrophobicContact CG-CG 4.32Å; M152-W360 HydrophobicContact CG-CZ3 4.35Å; M152-W360 VanDerWaalsContact N-CE2 3.31Å; M152-W360 VanDerWaalsContact N-CZ2 3.33Å; M152-W360 HydrophobicContact SD-CB 4.46Å
153	L	91.2	Very high	95.6	Very high	77 Å²	77	28 Å²	28	40%	0.403	15%	0.153	S	C	.	.	H	α-helix	trans	-91.3	-33.6	-172.4	-55.9	174	0	0	0	111.7	V150 R151 P346 P347 F350	V150-L153 WeakPolarHBondContact O-CB 3.37Å; V150-L153 PolarHBondContact O-N 3.37Å; R151-L153 VanDerWaalsContact C-N 3.29Å; L153-P346 HydrophobicContact CD1-CB 4.25Å; L153-P347 HydrophobicContact CD1-CG 4.12Å; L153-F350 HydrophobicContact CD1-CD2 4.45Å; L153-F350 HydrophobicContact CD2-CD2 4.25Å; L153-F350 HydrophobicContact CD2-CE2 3.99Å
154	Q	89.6	Confident	95.6	Very high	87 Å²	87	27.9 Å²	27.9	41%	0.407	15%	0.152	S	C	.	.	S	Bend	trans	-156.1	148.9	178.9	54.7	179.7	79.7	0	0	110.8	V150 R151 V156 L344	V150-Q154 HydrophobicContact CG2-CG 4.44Å; V150-Q154 PolarHBondContact O-N 3.1Å; R151-Q154 CarbonylContact C-O 3.53Å; R151-Q154 VanDerWaalsContact CA-O 3.3Å; R151-Q154 WeakPolarHBondContact CA-O 3.4Å; Q154-V156 HydrophobicContact CG-CG2 4.4Å; Q154-V156 PolarHBondContact O-N 3.37Å; Q154-V156 VanDerWaalsContact O-N 3.08Å; Q154-L344 HydrophobicContact CG-CD1 4.38Å
155	P	87.4	Confident	95.5	Very high	125 Å²	125	27.1 Å²	27.1	81%	0.812	15%	0.149	S	C	*	.			trans	-67.3	112	177.2	27.8	-33.4	0	0	0	110
156	V	94.1	Very high	95.2	Very high	8 Å²	8	28 Å²	28	5%	0.048	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-103.8	133.7	167.6	-174.5	0	0	0	0	106.8	V150 R151 Q154 F160 T315 L344	V150-V156 HydrophobicContact CG1-CG2 3.86Å; V150-V156 HydrophobicContact CG2-CG2 4.42Å; R151-V156 HydrophobicContact CG-CB 4.1Å; R151-V156 HydrophobicContact CG-CG2 4.48Å; R151-V156 PolarHBondContact NH1-O 3.35Å; Q154-V156 HydrophobicContact CG-CG2 4.4Å; Q154-V156 PolarHBondContact O-N 3.37Å; Q154-V156 VanDerWaalsContact O-N 3.08Å; V156-F160 HydrophobicContact CB-CD1 4.42Å; V156-F160 HydrophobicContact CB-CE1 4.47Å; V156-F160 HydrophobicContact CG1-CB 4.04Å; V156-F160 HydrophobicContact CG1-CD1 3.54Å; V156-F160 HydrophobicContact CG1-CD2 4.44Å; V156-F160 HydrophobicContact CG1-CE1 4.03Å; V156-F160 HydrophobicContact CG1-CG 3.77Å; V156-T315 HydrophobicContact CG1-CG2 4.12Å; V156-L344 HydrophobicContact CG2-CD1 3.53Å
157	V	93.7	Very high	94.7	Very high	113 Å²	113	29.6 Å²	29.6	69%	0.685	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-94.6	141	-179.9	-173.2	0	0	0	0	109.2
158	F	96.9	Very high	94.1	Very high	41 Å²	41	32 Å²	32	18%	0.18	20%	0.198	C	C	.	.	S	Bend	trans	-74.3	150.6	171.7	-63.3	-71.4	0	0	0	111.1	L148 R151 F160 A175 R176 G177 I178	L148-F158 HydrophobicContact CD2-CE1 3.75Å; L148-F158 HydrophobicContact CD2-CZ 3.59Å; R151-F158 VanDerWaalsContact CZ-CE2 3.45Å; R151-F158 VanDerWaalsContact NH1-CE2 3.33Å; F158-F160 AromaticContact CD1-CD1 3.76Å; F158-F160 HydrophobicContact CD1-CD1 3.76Å; F158-F160 AromaticContact CD1-CE1 3.36Å; F158-F160 HydrophobicContact CD1-CE1 3.36Å; F158-F160 HydrophobicContact CD1-CZ 4.27Å; F158-F160 HydrophobicContact CE1-CD1 4.18Å; F158-F160 AromaticContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE1 3.31Å; F158-F160 AromaticContact CE1-CZ 3.87Å; F158-F160 HydrophobicContact CE1-CZ 3.87Å; F158-F160 HydrophobicContact CG-CE1 4.29Å; F158-F160 HydrophobicContact CZ-CE1 4.2Å; F158-A175 HydrophobicContact CD1-CB 4.18Å; F158-A175 HydrophobicContact CE1-CB 4.08Å; F158-R176 WeakPolarHBondContact CB-O 3.34Å; F158-G177 VanDerWaalsContact CE1-C 3.42Å; F158-G177 VanDerWaalsContact CE1-O 3.29Å; F158-G177 WeakPolarHBondContact CE1-O 3.2Å; F158-I178 HydrophobicContact CE2-CG2 4.01Å; F158-I178 HydrophobicContact CZ-CG2 3.91Å
159	P	98	Very high	93.8	Very high	39 Å²	39	35.1 Å²	35.1	25%	0.253	21%	0.212	S	C	.	.	S	Bend	cis	-78.6	153.1	-8.4	30.6	-34	0	0	0	112.9	L174 A175 R176 L308 P310	P159-L174 HydrophobicContact CB-CD1 4.16Å; P159-L174 HydrophobicContact CB-CD2 4.35Å; P159-L174 HydrophobicContact CB-CG 4.2Å; P159-A175 CarbonylContact C-O 3.38Å; P159-A175 WeakPolarHBondContact CA-O 3.46Å; P159-A175 WeakPolarHBondContact CB-O 3.35Å; P159-R176 HydrophobicContact CB-CG 4.38Å; P159-L308 WeakPolarHBondContact CG-O 3.42Å; P159-P310 HydrophobicContact CG-CG 4.45Å; P159-P310 WeakPolarHBondContact O-CD 3.49Å; P159-P310 VanDerWaalsContact O-CG 3.27Å; P159-P310 WeakPolarHBondContact O-CG 3.21Å
160	F	98.5	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.2	170.7	58.7	-93.6	0	0	0	111.3	L148 R151 V156 F158 V162 A175 V317	L148-F160 HydrophobicContact CD2-CZ 4.17Å; R151-F160 HydrophobicContact CG-CE1 4.49Å; R151-F160 HydrophobicContact CG-CZ 4.46Å; V156-F160 HydrophobicContact CB-CD1 4.42Å; V156-F160 HydrophobicContact CB-CE1 4.47Å; V156-F160 HydrophobicContact CG1-CB 4.04Å; V156-F160 HydrophobicContact CG1-CD1 3.54Å; V156-F160 HydrophobicContact CG1-CD2 4.44Å; V156-F160 HydrophobicContact CG1-CE1 4.03Å; V156-F160 HydrophobicContact CG1-CG 3.77Å; F158-F160 AromaticContact CD1-CD1 3.76Å; F158-F160 HydrophobicContact CD1-CD1 3.76Å; F158-F160 AromaticContact CD1-CE1 3.36Å; F158-F160 HydrophobicContact CD1-CE1 3.36Å; F158-F160 HydrophobicContact CD1-CZ 4.27Å; F158-F160 HydrophobicContact CE1-CD1 4.18Å; F158-F160 AromaticContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE1 3.31Å; F158-F160 AromaticContact CE1-CZ 3.87Å; F158-F160 HydrophobicContact CE1-CZ 3.87Å; F158-F160 HydrophobicContact CG-CE1 4.29Å; F158-F160 HydrophobicContact CZ-CE1 4.2Å; F160-V162 HydrophobicContact CD2-CG2 3.54Å; F160-V162 HydrophobicContact CE2-CG2 3.39Å; F160-A175 HydrophobicContact CD1-CB 4.45Å; F160-A175 HydrophobicContact CD2-CB 4.15Å; F160-A175 HydrophobicContact CE1-CB 4.17Å; F160-A175 HydrophobicContact CE2-CB 3.85Å; F160-A175 HydrophobicContact CG-CB 4.45Å; F160-A175 HydrophobicContact CZ-CB 3.85Å; F160-A175 PolarHBondContact N-O 3.09Å; F160-A175 PolarHBondContact O-N 3.28Å; F160-V317 HydrophobicContact CD2-CB 4.07Å; F160-V317 HydrophobicContact CD2-CG2 3.42Å; F160-V317 VanDerWaalsContact CD2-CG2 3.42Å; F160-V317 HydrophobicContact CE2-CB 4.14Å; F160-V317 HydrophobicContact CE2-CG2 3.66Å; F160-V317 HydrophobicContact CG-CG2 4.26Å
161	L	98.6	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	140.5	178.6	-171.4	65.7	0	0	0	109.6	L184 A299 I300 L309 T315 L316 V317	L161-L184 HydrophobicContact CD1-CD1 3.49Å; L161-L184 VanDerWaalsContact CD1-CD1 3.49Å; L161-A299 HydrophobicContact CD1-CB 4.32Å; L161-A299 HydrophobicContact CD2-CB 4.16Å; L161-I300 HydrophobicContact CD2-CB 4.44Å; L161-I300 HydrophobicContact CD2-CD1 4.47Å; L161-I300 HydrophobicContact CD2-CG1 3.43Å; L161-I300 VanDerWaalsContact CD2-CG1 3.43Å; L161-L309 HydrophobicContact CB-CD2 4.36Å; L161-T315 PolarHBondContact N-O 3.42Å; L161-L316 HydrophobicContact CB-CD1 4.15Å; L161-L316 HydrophobicContact CD2-CD1 3.94Å; L161-L316 HydrophobicContact CG-CD1 3.88Å; L161-L316 CarbonylContact O-C 3.58Å; L161-L316 WeakPolarHBondContact O-CA 3.45Å; L161-V317 PolarHBondContact O-N 3.04Å
162	V	98.3	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.1	-178.9	-172.6	0	0	0	0	109.9	A147 F160 L164 L172 A173 A175 V317	A147-V162 HydrophobicContact CB-CG1 3.79Å; A147-V162 HydrophobicContact CB-CG2 4.2Å; F160-V162 HydrophobicContact CD2-CG2 3.54Å; F160-V162 HydrophobicContact CE2-CG2 3.39Å; V162-L164 HydrophobicContact CG1-CD2 3.44Å; V162-L164 VanDerWaalsContact CG1-CD2 3.44Å; V162-L164 HydrophobicContact CG1-CG 3.79Å; V162-L172 WeakPolarHBondContact O-CA 3.37Å; V162-A173 PolarHBondContact N-O 2.81Å; V162-A173 PolarHBondContact O-N 3.21Å; V162-A175 HydrophobicContact CG2-CB 3.94Å; V162-V317 CarbonylContact C-O 3.55Å; V162-V317 WeakPolarHBondContact CA-O 3.09Å; V162-V317 HydrophobicContact CG2-CB 4.46Å
163	L	98.6	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.3	166.1	173.8	68.2	0	0	0	108.3	V165 L171 L172 F246 I292 L316 V317 V318 S319 L332	L163-V165 HydrophobicContact CD1-CG1 3.7Å; L163-V165 HydrophobicContact CD2-CG1 4.3Å; L163-V165 HydrophobicContact CG-CG1 3.87Å; L163-V165 HydrophobicContact CG-CG2 4.37Å; L163-L171 WeakPolarHBondContact CA-O 3Å; L163-L172 HydrophobicContact CB-CD2 3.97Å; L163-L172 HydrophobicContact CD1-CD2 3.85Å; L163-L172 HydrophobicContact CD1-CG 3.88Å; L163-L172 HydrophobicContact CG-CD2 4.48Å; L163-F246 HydrophobicContact CD1-CE2 4.49Å; L163-F246 HydrophobicContact CD1-CZ 3.77Å; L163-I292 HydrophobicContact CD1-CG2 4.43Å; L163-I292 HydrophobicContact CD2-CG2 3.58Å; L163-L316 HydrophobicContact CB-CD1 4.17Å; L163-V317 PolarHBondContact N-O 2.68Å; L163-V318 HydrophobicContact CB-CG1 4.24Å; L163-V318 HydrophobicContact CB-CG2 4.25Å; L163-V318 HydrophobicContact CD2-CG1 3.84Å; L163-V318 HydrophobicContact CD2-CG2 4.35Å; L163-V318 HydrophobicContact CG-CG1 4.13Å; L163-V318 WeakPolarHBondContact O-CA 3.32Å; L163-S319 PolarHBondContact O-N 3.08Å; L163-L332 HydrophobicContact CD2-CD1 3.74Å; L163-L332 HydrophobicContact CD2-CD2 4.2Å
164	L	97.3	Very high	94.5	Very high	4 Å²	4	29 Å²	29	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.3	171.8	-51.3	-177.9	0	0	0	108.9	M143 H146 A147 V162 S170 L171 S319 L387	M143-L164 HydrophobicContact CB-CD1 3.84Å; M143-L164 HydrophobicContact CG-CD1 4.43Å; M143-L164 VanDerWaalsContact O-CD1 3.32Å; M143-L164 WeakPolarHBondContact O-CD1 3.4Å; M143-L164 HydrophobicContact SD-CD1 3.82Å; H146-L164 HydrophobicContact CB-CD1 4.14Å; H146-L164 HydrophobicContact CB-CD2 4.03Å; A147-L164 HydrophobicContact CB-CD2 4.41Å; V162-L164 HydrophobicContact CG1-CD2 3.44Å; V162-L164 VanDerWaalsContact CG1-CD2 3.44Å; V162-L164 HydrophobicContact CG1-CG 3.79Å; L164-S170 CarbonylContact O-C 3.46Å; L164-S170 VanDerWaalsContact O-CA 3.24Å; L164-S170 WeakPolarHBondContact O-CA 3.3Å; L164-L171 HydrophobicContact CB-CD1 3.82Å; L164-L171 HydrophobicContact CB-CG 3.89Å; L164-L171 HydrophobicContact CD1-CD1 3.75Å; L164-L171 HydrophobicContact CD1-CD2 4.22Å; L164-L171 HydrophobicContact CD1-CG 4.21Å; L164-L171 HydrophobicContact CG-CD1 3.64Å; L164-L171 HydrophobicContact CG-CG 4.22Å; L164-L171 PolarHBondContact N-O 3.02Å; L164-L171 PolarHBondContact O-N 3.15Å; L164-S319 WeakPolarHBondContact CA-O 3.27Å; L164-L387 HydrophobicContact CD1-CD2 4.46Å
165	V	95.5	Very high	95	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	111.7	-178.5	-75.8	0	0	0	0	110.1	L163 H169 P192 I292 V318 S319 G320 G321 V322 A323	L163-V165 HydrophobicContact CD1-CG1 3.7Å; L163-V165 HydrophobicContact CD2-CG1 4.3Å; L163-V165 HydrophobicContact CG-CG1 3.87Å; L163-V165 HydrophobicContact CG-CG2 4.37Å; V165-H169 WeakPolarHBondContact CA-O 3.29Å; V165-P192 HydrophobicContact CB-CG 4.27Å; V165-P192 HydrophobicContact CG1-CG 4.27Å; V165-I292 HydrophobicContact CG1-CD1 4.39Å; V165-V318 HydrophobicContact CG2-CG1 4.14Å; V165-S319 PolarHBondContact N-O 3.33Å; V165-G320 CarbonylContact O-C 3.52Å; V165-G320 VanDerWaalsContact O-CA 3.24Å; V165-G320 WeakPolarHBondContact O-CA 3.41Å; V165-G321 PolarHBondContact O-N 3.22Å; V165-V322 HydrophobicContact CB-CB 4.01Å; V165-V322 HydrophobicContact CB-CG1 4.26Å; V165-V322 HydrophobicContact CG2-CB 4.11Å; V165-V322 HydrophobicContact CG2-CG1 4.28Å; V165-V322 WeakPolarHBondContact O-CB 3.41Å; V165-V322 PolarHBondContact O-N 2.94Å; V165-A323 HydrophobicContact CG2-CB 4.11Å
166	S	91.2	Very high	95.5	Very high	20 Å²	20	24.1 Å²	24.1	14%	0.14	15%	0.146	C	C	.	.			trans	-135.5	-169.2	-177.2	74.1	0	0	0	0	111.7	G168 H169 G193	S166-G168 VanDerWaalsContact C-N 3.31Å; S166-G168 PolarHBondContact OG-N 2.71Å; S166-H169 PolarHBondContact N-O 3.47Å; S166-H169 PolarHBondContact OG-N 3.39Å; S166-H169 VanDerWaalsContact OG-N 3.08Å; S166-G193 PolarHBondContact O-N 3.45Å
167	G	86	Confident	95.6	Very high	38 Å²	38	24.1 Å²	24.1	39%	0.392	15%	0.147	S	C	.	.	S	Bend	trans	-65	-33.3	170.9	0	0	0	0	0	113.1	A191 D194	G167-A191 WeakPolarHBondContact O-CB 3.46Å; G167-D194 VanDerWaalsContact O-CB 3.29Å; G167-D194 WeakPolarHBondContact O-CB 3.4Å; G167-D194 PolarHBondContact O-N 3.46Å
168	G	85.3	Confident	95.8	Very high	51 Å²	51	18.7 Å²	18.7	53%	0.526	12%	0.115	S	C	.	.	S	Bend	trans	-110.7	-12.6	-175.6	0	0	0	0	0	115.3	S166 A191	S166-G168 VanDerWaalsContact C-N 3.31Å; S166-G168 PolarHBondContact OG-N 2.71Å; G168-A191 VanDerWaalsContact C-CB 3.5Å
169	H	88.9	Confident	95.8	Very high	66 Å²	66	19.5 Å²	19.5	31%	0.306	12%	0.121	S	C	.	.			trans	-135.5	144.4	-171.2	-57	90.5	0	0	0	112	M143 V165 S166	M143-H169 HydrophobicContact CE-CB 4.42Å; M143-H169 WeakPolarHBondContact CE-ND1 3.35Å; M143-H169 HydrophobicContact SD-CB 4.08Å; V165-H169 WeakPolarHBondContact CA-O 3.29Å; S166-H169 PolarHBondContact N-O 3.47Å; S166-H169 PolarHBondContact OG-N 3.39Å; S166-H169 VanDerWaalsContact OG-N 3.08Å
170	S	94.9	Very high	95.8	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	109.1	163.7	-168.8	0	0	0	0	107.3	L164 Q186 T187 F246	L164-S170 CarbonylContact O-C 3.46Å; L164-S170 VanDerWaalsContact O-CA 3.24Å; L164-S170 WeakPolarHBondContact O-CA 3.3Å; S170-Q186 CarbonylContact O-C 3.54Å; S170-Q186 VanDerWaalsContact O-CA 3.29Å; S170-Q186 WeakPolarHBondContact O-CA 3.39Å; S170-T187 PolarHBondContact O-N 2.84Å; S170-F246 VanDerWaalsContact OG-CD2 3.27Å; S170-F246 WeakPolarHBondContact OG-CD2 3.22Å; S170-F246 VanDerWaalsContact OG-CG 3.27Å; S170-F246 WeakPolarHBondContact OG-CG 3.44Å
171	L	96.9	Very high	95.8	Very high	13 Å²	13	20.5 Å²	20.5	7%	0.068	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.8	179.9	64.7	78.4	0	0	0	112.2	M143 L163 L164 A173 L183 G185 Q186 L387	M143-L171 HydrophobicContact CG-CD2 4.12Å; M143-L171 HydrophobicContact SD-CD2 3.85Å; L163-L171 WeakPolarHBondContact CA-O 3Å; L164-L171 HydrophobicContact CB-CD1 3.82Å; L164-L171 HydrophobicContact CB-CG 3.89Å; L164-L171 HydrophobicContact CD1-CD1 3.75Å; L164-L171 HydrophobicContact CD1-CD2 4.22Å; L164-L171 HydrophobicContact CD1-CG 4.21Å; L164-L171 HydrophobicContact CG-CD1 3.64Å; L164-L171 HydrophobicContact CG-CG 4.22Å; L164-L171 PolarHBondContact N-O 3.02Å; L164-L171 PolarHBondContact O-N 3.15Å; L171-A173 HydrophobicContact CD1-CB 4.22Å; L171-L183 HydrophobicContact CB-CD1 4.04Å; L171-G185 CarbonylContact C-O 3.54Å; L171-G185 WeakPolarHBondContact CA-O 3.43Å; L171-Q186 HydrophobicContact CB-CB 4.37Å; L171-L387 HydrophobicContact CD1-CD2 3.64Å; L171-L387 HydrophobicContact CD2-CB 4.32Å; L171-L387 HydrophobicContact CD2-CD2 3.99Å; L171-L387 HydrophobicContact CG-CD2 4.5Å
172	L	98.4	Very high	95.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.9	170.8	-83.9	161.7	0	0	0	107.9	V162 L163 L184 G185 C244 F246 R295 T296 A299	V162-L172 WeakPolarHBondContact O-CA 3.37Å; L163-L172 HydrophobicContact CB-CD2 3.97Å; L163-L172 HydrophobicContact CD1-CD2 3.85Å; L163-L172 HydrophobicContact CD1-CG 3.88Å; L163-L172 HydrophobicContact CG-CD2 4.48Å; L172-L184 HydrophobicContact CB-CB 4.28Å; L172-L184 WeakPolarHBondContact O-CB 3.2Å; L172-L184 PolarHBondContact O-N 2.95Å; L172-G185 PolarHBondContact N-O 2.71Å; L172-G185 PolarHBondContact O-N 3.46Å; L172-C244 HydrophobicContact CD1-CB 3.96Å; L172-F246 HydrophobicContact CB-CE2 4.5Å; L172-F246 HydrophobicContact CD1-CE1 4.42Å; L172-F246 HydrophobicContact CD1-CE2 3.91Å; L172-F246 HydrophobicContact CD1-CZ 3.44Å; L172-F246 VanDerWaalsContact CD1-CZ 3.44Å; L172-F246 HydrophobicContact CG-CE2 4.01Å; L172-F246 HydrophobicContact CG-CZ 3.76Å; L172-R295 HydrophobicContact CD1-CB 3.91Å; L172-T296 HydrophobicContact CD2-CG2 4.33Å; L172-A299 HydrophobicContact CD1-CB 4.01Å; L172-A299 HydrophobicContact CD2-CB 4.17Å; L172-A299 HydrophobicContact CG-CB 4.48Å
173	A	98.6	Very high	95.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.2	179.3	0	0	0	0	0	111.2	V162 L171 F181 L182 L387	V162-A173 PolarHBondContact N-O 2.81Å; V162-A173 PolarHBondContact O-N 3.21Å; L171-A173 HydrophobicContact CD1-CB 4.22Å; A173-F181 HydrophobicContact CB-CD1 4.44Å; A173-L182 CarbonylContact C-O 3.42Å; A173-L182 WeakPolarHBondContact CA-O 3.47Å; A173-L182 WeakPolarHBondContact CB-O 3.28Å; A173-L387 HydrophobicContact CB-CD2 3.82Å
174	L	98.6	Very high	95.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.8	165.9	-173.8	77.1	0	0	0	108.3	P159 R176 F181 L182 L308 L309	P159-L174 HydrophobicContact CB-CD1 4.16Å; P159-L174 HydrophobicContact CB-CD2 4.35Å; P159-L174 HydrophobicContact CB-CG 4.2Å; L174-R176 HydrophobicContact CD2-CG 3.94Å; L174-R176 HydrophobicContact CG-CG 4.28Å; L174-F181 WeakPolarHBondContact O-CA 3.24Å; L174-L182 HydrophobicContact CB-CB 4.25Å; L174-L182 HydrophobicContact CD2-CD1 4.17Å; L174-L182 PolarHBondContact N-O 2.87Å; L174-L182 PolarHBondContact O-N 3.2Å; L174-L308 HydrophobicContact CD2-CB 3.83Å; L174-L308 HydrophobicContact CD2-CD1 4.31Å; L174-L308 HydrophobicContact CD2-CG 4.47Å; L174-L309 HydrophobicContact CD1-CD2 3.81Å
175	A	98.6	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.2	171	0	0	0	0	0	108.6	F158 P159 F160 V162 F181	F158-A175 HydrophobicContact CD1-CB 4.18Å; F158-A175 HydrophobicContact CE1-CB 4.08Å; P159-A175 CarbonylContact C-O 3.38Å; P159-A175 WeakPolarHBondContact CA-O 3.46Å; P159-A175 WeakPolarHBondContact CB-O 3.35Å; F160-A175 HydrophobicContact CD1-CB 4.45Å; F160-A175 HydrophobicContact CD2-CB 4.15Å; F160-A175 HydrophobicContact CE1-CB 4.17Å; F160-A175 HydrophobicContact CE2-CB 3.85Å; F160-A175 HydrophobicContact CG-CB 4.45Å; F160-A175 HydrophobicContact CZ-CB 3.85Å; F160-A175 PolarHBondContact N-O 3.09Å; F160-A175 PolarHBondContact O-N 3.28Å; V162-A175 HydrophobicContact CG2-CB 3.94Å; A175-F181 HydrophobicContact CB-CD1 3.86Å; A175-F181 HydrophobicContact CB-CE1 3.47Å; A175-F181 VanDerWaalsContact CB-CE1 3.47Å; A175-F181 HydrophobicContact CB-CZ 4.13Å
176	R	98.3	Very high	95.9	Very high	109 Å²	109	24.8 Å²	24.8	41%	0.411	14%	0.144	S	C	.	.			trans	-101.8	-18.9	176.3	-61.3	-169.2	-57.9	-169.1	-2.6	112.7	F158 P159 L174 D180	F158-R176 WeakPolarHBondContact CB-O 3.34Å; P159-R176 HydrophobicContact CB-CG 4.38Å; L174-R176 HydrophobicContact CD2-CG 3.94Å; L174-R176 HydrophobicContact CG-CG 4.28Å; R176-D180 HydrophobicContact CB-CB 4.31Å; R176-D180 WeakPolarHBondContact CB-OD2 3.2Å; R176-D180 IonicContact CZ-OD1 3.16Å; R176-D180 IonicContact CZ-OD2 3.62Å; R176-D180 VanDerWaalsContact CZ-OD2 3.31Å; R176-D180 PolarHBondContact N-O 3.44Å; R176-D180 IonicContact NE-OD1 2.73Å; R176-D180 PolarHBondContact NE-OD1 3.49Å; R176-D180 IonicContact NE-OD2 3.23Å; R176-D180 PolarHBondContact NE-OD2 2.86Å; R176-D180 VanDerWaalsContact NH2-CG 3.35Å; R176-D180 IonicContact NH2-OD1 2.68Å; R176-D180 PolarHBondContact NH2-OD1 2.97Å; R176-D180 IonicContact NH2-OD2 2.95Å; R176-D180 PolarHBondContact NH2-OD2 2.67Å; R176-D180 VanDerWaalsContact NH2-OD2 3.16Å
177	G	97.5	Very high	96	Very high	8 Å²	8	25.4 Å²	25.4	8%	0.082	15%	0.147	C	C	.	.	S	Bend	trans	-160.8	-172.2	173.7	0	0	0	0	0	110.9	F158 D179 D180	F158-G177 VanDerWaalsContact CE1-C 3.42Å; F158-G177 VanDerWaalsContact CE1-O 3.29Å; F158-G177 WeakPolarHBondContact CE1-O 3.2Å; G177-D179 PolarHBondContact O-N 2.88Å; G177-D180 PolarHBondContact N-O 2.93Å
178	I	97.1	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-67.9	-17.6	179.8	65.5	169.6	0	0	0	113.2	L148 F158 E364 R365 E368 K370	L148-I178 HydrophobicContact CD1-CB 4.17Å; L148-I178 WeakPolarHBondContact CD1-O 3.37Å; F158-I178 HydrophobicContact CE2-CG2 4.01Å; F158-I178 HydrophobicContact CZ-CG2 3.91Å; I178-E364 HydrophobicContact CB-CB 4.47Å; I178-E364 HydrophobicContact CG2-CB 3.9Å; I178-R365 HydrophobicContact CD1-CB 4.46Å; I178-R365 HydrophobicContact CD1-CG 4.17Å; I178-E368 HydrophobicContact CD1-CB 3.84Å; I178-E368 VanDerWaalsContact CD1-CD 3.47Å; I178-E368 HydrophobicContact CD1-CG 3.85Å; I178-E368 WeakPolarHBondContact CD1-OE2 3.32Å; I178-E368 WeakPolarHBondContact CG1-OE2 3.49Å; I178-E368 WeakPolarHBondContact CG2-OE1 3.33Å; I178-K370 HydrophobicContact CD1-CD 4.33Å
179	D	96.2	Very high	96.8	Very high	58 Å²	58	29.6 Å²	29.6	31%	0.31	15%	0.148	S	C	.	.	S	Bend	trans	-145.4	15.4	-175.7	67.4	-24.4	0	0	0	113.4	G177 R365 K370	G177-D179 PolarHBondContact O-N 2.88Å; D179-R365 IonicContact OD2-CZ 2.82Å; D179-R365 IonicContact OD2-NH1 3.44Å; D179-R365 PolarHBondContact OD2-NH1 2.97Å; D179-K370 IonicContact OD1-NZ 2.74Å; D179-K370 PolarHBondContact OD1-NZ 3.36Å
180	D	97.9	Very high	96.9	Very high	58 Å²	58	27.1 Å²	27.1	31%	0.31	14%	0.137	S	C	.	.			trans	-122.9	108.2	178.9	179.3	17.4	0	0	0	109.3	R176 G177	R176-D180 HydrophobicContact CB-CB 4.31Å; R176-D180 WeakPolarHBondContact CB-OD2 3.2Å; R176-D180 IonicContact CZ-OD1 3.16Å; R176-D180 IonicContact CZ-OD2 3.62Å; R176-D180 VanDerWaalsContact CZ-OD2 3.31Å; R176-D180 PolarHBondContact N-O 3.44Å; R176-D180 IonicContact NE-OD1 2.73Å; R176-D180 PolarHBondContact NE-OD1 3.49Å; R176-D180 IonicContact NE-OD2 3.23Å; R176-D180 PolarHBondContact NE-OD2 2.86Å; R176-D180 VanDerWaalsContact NH2-CG 3.35Å; R176-D180 IonicContact NH2-OD1 2.68Å; R176-D180 PolarHBondContact NH2-OD1 2.97Å; R176-D180 IonicContact NH2-OD2 2.95Å; R176-D180 PolarHBondContact NH2-OD2 2.67Å; R176-D180 VanDerWaalsContact NH2-OD2 3.16Å; G177-D180 PolarHBondContact N-O 2.93Å
181	F	98.6	Very high	96.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.2	-175.9	-68.2	-100.1	0	0	0	110.8	E144 A147 L148 A173 L174 A175 L387 G388 V389	E144-F181 HydrophobicContact CB-CE2 4.09Å; E144-F181 HydrophobicContact CB-CZ 4.23Å; E144-F181 HydrophobicContact CG-CD2 4.09Å; E144-F181 HydrophobicContact CG-CE2 3.58Å; E144-F181 HydrophobicContact CG-CZ 4.13Å; A147-F181 HydrophobicContact CB-CE1 3.76Å; A147-F181 HydrophobicContact CB-CZ 4.11Å; L148-F181 HydrophobicContact CG-CZ 4.41Å; A173-F181 HydrophobicContact CB-CD1 4.44Å; L174-F181 WeakPolarHBondContact O-CA 3.24Å; A175-F181 HydrophobicContact CB-CD1 3.86Å; A175-F181 HydrophobicContact CB-CE1 3.47Å; A175-F181 VanDerWaalsContact CB-CE1 3.47Å; A175-F181 HydrophobicContact CB-CZ 4.13Å; F181-L387 HydrophobicContact CB-CD1 4.12Å; F181-L387 HydrophobicContact CB-CG 4.01Å; F181-L387 HydrophobicContact CD1-CD1 4Å; F181-L387 HydrophobicContact CD1-CD2 4.11Å; F181-L387 HydrophobicContact CD1-CG 4.15Å; F181-L387 HydrophobicContact CD2-CD1 3.94Å; F181-L387 HydrophobicContact CE1-CD1 4.4Å; F181-L387 HydrophobicContact CE2-CD1 4.38Å; F181-L387 HydrophobicContact CG-CD1 3.75Å; F181-L387 HydrophobicContact CG-CG 4.05Å; F181-G388 CarbonylContact O-C 3.52Å; F181-G388 VanDerWaalsContact O-CA 3.23Å; F181-G388 WeakPolarHBondContact O-CA 3.32Å; F181-V389 PolarHBondContact O-N 2.89Å
182	L	98.7	Very high	96.8	Very high	14 Å²	14	26.6 Å²	26.6	7%	0.073	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.3	167.4	-58.7	178.5	0	0	0	109.2	A173 L174 L184 V389 I391	A173-L182 CarbonylContact C-O 3.42Å; A173-L182 WeakPolarHBondContact CA-O 3.47Å; A173-L182 WeakPolarHBondContact CB-O 3.28Å; L174-L182 HydrophobicContact CB-CB 4.25Å; L174-L182 HydrophobicContact CD2-CD1 4.17Å; L174-L182 PolarHBondContact N-O 2.87Å; L174-L182 PolarHBondContact O-N 3.2Å; L182-L184 PolarHBondContact O-N 3Å; L182-V389 CarbonylContact C-O 3.37Å; L182-V389 WeakPolarHBondContact CA-O 3.45Å; L182-V389 HydrophobicContact CD2-CB 4.04Å; L182-I391 HydrophobicContact CB-CD1 3.84Å; L182-I391 HydrophobicContact CB-CG1 4.12Å; L182-I391 HydrophobicContact CD1-CD1 3.96Å; L182-I391 HydrophobicContact CD2-CG2 4.39Å; L182-I391 HydrophobicContact CG-CD1 4.4Å
183	L	98.6	Very high	96.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.7	176.6	-178.2	70.6	0	0	0	110.1	L171 Q186 L387 V389 N390 I391	L171-L183 HydrophobicContact CB-CD1 4.04Å; L183-Q186 HydrophobicContact CD1-CB 4.39Å; L183-Q186 HydrophobicContact CD2-CB 4.42Å; L183-Q186 HydrophobicContact CD2-CG 4.35Å; L183-L387 WeakPolarHBondContact CB-O 3.32Å; L183-V389 PolarHBondContact N-O 3.3Å; L183-N390 HydrophobicContact CD2-CB 4.39Å; L183-I391 WeakPolarHBondContact O-CG1 3.16Å; L183-I391 PolarHBondContact O-N 3.36Å
184	L	98.6	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-27.5	-179	-53.3	179.6	0	0	0	112.3	L161 L172 L182 C244 A299 F302 I391 T392 V395	L161-L184 HydrophobicContact CD1-CD1 3.49Å; L161-L184 VanDerWaalsContact CD1-CD1 3.49Å; L172-L184 HydrophobicContact CB-CB 4.28Å; L172-L184 WeakPolarHBondContact O-CB 3.2Å; L172-L184 PolarHBondContact O-N 2.95Å; L182-L184 PolarHBondContact O-N 3Å; L184-C244 HydrophobicContact CB-CB 4.49Å; L184-C244 WeakPolarHBondContact O-CB 3.42Å; L184-A299 HydrophobicContact CD1-CB 3.87Å; L184-F302 HydrophobicContact CD2-CD1 4.17Å; L184-F302 HydrophobicContact CD2-CE1 4.05Å; L184-I391 HydrophobicContact CD2-CD1 3.53Å; L184-I391 HydrophobicContact CD2-CG1 3.8Å; L184-T392 PolarHBondContact O-OG1 3.3Å; L184-V395 HydrophobicContact CB-CG2 4.21Å; L184-V395 HydrophobicContact CD2-CG2 4.12Å
185	G	97.7	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	155.3	177	0	0	0	0	0	112	L171 L172 N245	L171-G185 CarbonylContact C-O 3.54Å; L171-G185 WeakPolarHBondContact CA-O 3.43Å; L172-G185 PolarHBondContact N-O 2.71Å; L172-G185 PolarHBondContact O-N 3.46Å; G185-N245 WeakPolarHBondContact CA-OD1 3.43Å
186	Q	96.8	Very high	95.9	Very high	78 Å²	78	29.1 Å²	29.1	36%	0.364	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	170.5	-178.7	62	-177.1	-7.4	0	0	111.3	S170 L171 L183 N245 F246	S170-Q186 CarbonylContact O-C 3.54Å; S170-Q186 VanDerWaalsContact O-CA 3.29Å; S170-Q186 WeakPolarHBondContact O-CA 3.39Å; L171-Q186 HydrophobicContact CB-CB 4.37Å; L183-Q186 HydrophobicContact CD1-CB 4.39Å; L183-Q186 HydrophobicContact CD2-CB 4.42Å; L183-Q186 HydrophobicContact CD2-CG 4.35Å; Q186-N245 PolarHBondContact N-OD1 2.6Å; Q186-N245 VanDerWaalsContact N-OD1 3.08Å; Q186-N245 WeakPolarHBondContact O-CA 3.38Å; Q186-N245 PolarHBondContact O-OD1 2.92Å; Q186-F246 PolarHBondContact O-N 2.86Å
187	T	94.5	Very high	95.7	Very high	34 Å²	34	26.4 Å²	26.4	21%	0.209	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-66.3	138.3	173.3	-158.6	0	0	0	0	111.3	S170 E190	S170-T187 PolarHBondContact O-N 2.84Å; T187-E190 PolarHBondContact OG1-O 2.7Å
188	L	94.2	Very high	95.5	Very high	107 Å²	107	28.9 Å²	28.9	56%	0.56	15%	0.15	S	C	*	.	S	Bend	trans	-97.2	-21.5	176.3	-58.6	179.3	0	0	0	112.3	M238 N245 F246	L188-M238 HydrophobicContact CD1-CE 3.66Å; L188-M238 HydrophobicContact CD1-SD 4.28Å; L188-N245 HydrophobicContact CD1-CB 4.02Å; L188-N245 HydrophobicContact CD2-CB 4.24Å; L188-N245 HydrophobicContact CG-CB 4.01Å; L188-F246 PolarHBondContact N-O 3.28Å
189	D	92.8	Very high	95.5	Very high	70 Å²	70	28.9 Å²	28.9	37%	0.374	15%	0.15	S	C	.	.	S	Bend	trans	-130	-103.3	-177.9	55.2	34.6	0	0	0	112.3	S247 F248 A249	D189-S247 VanDerWaalsContact OD1-CA 3.24Å; D189-S247 WeakPolarHBondContact OD1-CA 3.5Å; D189-S247 WeakPolarHBondContact OD2-CB 3.32Å; D189-S247 PolarHBondContact OD2-OG 3.39Å; D189-F248 PolarHBondContact OD1-N 3.01Å; D189-A249 HydrophobicContact CB-CB 4.06Å; D189-A249 PolarHBondContact OD1-N 3.47Å; D189-A249 WeakPolarHBondContact OD2-CB 3.34Å; D189-A249 PolarHBondContact OD2-N 3.36Å
190	E	91.9	Very high	95.4	Very high	14 Å²	14	26.3 Å²	26.3	7%	0.065	14%	0.138	C	C	.	.			trans	-101.6	158.8	176.5	55	179.5	-146.7	0	0	111.2	T187 T195 K198 F248 A249 R252	T187-E190 PolarHBondContact OG1-O 2.7Å; E190-T195 VanDerWaalsContact CD-OG1 3.26Å; E190-T195 WeakPolarHBondContact CG-OG1 3.5Å; E190-T195 PolarHBondContact OE1-OG1 3.06Å; E190-K198 IonicContact OE2-NZ 3.48Å; E190-K198 PolarHBondContact OE2-NZ 3.16Å; E190-F248 HydrophobicContact CG-CB 4.2Å; E190-F248 WeakPolarHBondContact O-CD2 3.22Å; E190-A249 HydrophobicContact CG-CB 4.07Å; E190-R252 VanDerWaalsContact OE1-CB 3.31Å; E190-R252 WeakPolarHBondContact OE1-CB 3.4Å; E190-R252 WeakPolarHBondContact OE1-CD 3.16Å; E190-R252 IonicContact OE1-NH1 3.54Å; E190-R252 IonicContact OE2-CZ 3.79Å; E190-R252 IonicContact OE2-NH1 2.67Å; E190-R252 PolarHBondContact OE2-NH1 3.03Å
191	A	93.5	Very high	95.2	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	15%	0.148	C	C	.	.			trans	-88.6	158.1	178.4	0	0	0	0	0	111	G167 G168 G193 D194 T195	G167-A191 WeakPolarHBondContact O-CB 3.46Å; G168-A191 VanDerWaalsContact C-CB 3.5Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.38Å; A191-D194 PolarHBondContact O-N 3.04Å; A191-T195 PolarHBondContact O-N 3.22Å; A191-T195 PolarHBondContact O-OG1 3.17Å
192	P	95.1	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-33.2	-174.2	22	-31.1	0	0	0	113	V165 M196 F248 V288 I292 V322	V165-P192 HydrophobicContact CB-CG 4.27Å; V165-P192 HydrophobicContact CG1-CG 4.27Å; P192-M196 WeakPolarHBondContact O-CG 3.34Å; P192-M196 PolarHBondContact O-N 3.45Å; P192-F248 HydrophobicContact CB-CD1 4.34Å; P192-F248 HydrophobicContact CB-CD2 4.45Å; P192-F248 HydrophobicContact CB-CE1 3.89Å; P192-F248 HydrophobicContact CB-CE2 3.99Å; P192-F248 HydrophobicContact CB-CZ 3.7Å; P192-F248 HydrophobicContact CG-CE2 4.06Å; P192-F248 HydrophobicContact CG-CZ 4.02Å; P192-V288 HydrophobicContact CB-CG1 3.92Å; P192-I292 HydrophobicContact CB-CD1 4.23Å; P192-I292 HydrophobicContact CG-CD1 4.34Å; P192-V322 HydrophobicContact CB-CG1 4.4Å; P192-V322 HydrophobicContact CG-CG1 4.35Å; P192-V322 HydrophobicContact CG-CG2 4.27Å
193	G	93.4	Very high	94.9	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-48.5	176.9	0	0	0	0	0	111.7	S166 A191 T195 M196 D197 V322	S166-G193 PolarHBondContact O-N 3.45Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.38Å; G193-T195 VanDerWaalsContact C-N 3.34Å; G193-T195 PolarHBondContact O-N 3.39Å; G193-M196 PolarHBondContact O-N 3.23Å; G193-M196 VanDerWaalsContact O-N 3.16Å; G193-D197 WeakPolarHBondContact O-CB 3.2Å; G193-D197 PolarHBondContact O-N 2.99Å; G193-V322 VanDerWaalsContact CA-CG2 3.46Å
194	D	92.1	Very high	94.7	Very high	48 Å²	48	31.5 Å²	31.5	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-61.4	-39.1	175.6	178.6	43.9	0	0	0	112.3	G167 A191 D197 K198	G167-D194 VanDerWaalsContact O-CB 3.29Å; G167-D194 WeakPolarHBondContact O-CB 3.4Å; G167-D194 PolarHBondContact O-N 3.46Å; A191-D194 PolarHBondContact O-N 3.04Å; D194-D197 PolarHBondContact O-N 3.38Å; D194-K198 WeakPolarHBondContact O-CB 3.31Å; D194-K198 VanDerWaalsContact O-CG 3.31Å; D194-K198 WeakPolarHBondContact O-CG 3.43Å; D194-K198 PolarHBondContact O-N 3.31Å; D194-K198 WeakPolarHBondContact OD1-CE 3.39Å; D194-K198 IonicContact OD1-NZ 3.38Å; D194-K198 WeakPolarHBondContact OD2-CE 3.27Å; D194-K198 IonicContact OD2-NZ 3.38Å; D194-K198 PolarHBondContact OD2-NZ 2.82Å
195	T	95.2	Very high	94.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-48.8	171.7	-62.8	0	0	0	0	112	E190 A191 G193 D197 K198 V199 F248 R252	E190-T195 VanDerWaalsContact CD-OG1 3.26Å; E190-T195 WeakPolarHBondContact CG-OG1 3.5Å; E190-T195 PolarHBondContact OE1-OG1 3.06Å; A191-T195 PolarHBondContact O-N 3.22Å; A191-T195 PolarHBondContact O-OG1 3.17Å; G193-T195 VanDerWaalsContact C-N 3.34Å; G193-T195 PolarHBondContact O-N 3.39Å; T195-D197 VanDerWaalsContact C-N 3.34Å; T195-D197 PolarHBondContact O-N 3.22Å; T195-K198 PolarHBondContact O-N 3.42Å; T195-V199 VanDerWaalsContact O-CG2 3.32Å; T195-V199 WeakPolarHBondContact O-CG2 3.19Å; T195-V199 PolarHBondContact O-N 2.95Å; T195-F248 HydrophobicContact CG2-CB 4.21Å; T195-F248 WeakPolarHBondContact OG1-CB 3.32Å; T195-R252 HydrophobicContact CG2-CB 4.04Å
196	M	95.8	Very high	94.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-37.8	178.9	-71	-174.9	-66.2	0	0	111.9	P192 G193 V199 A200 I220 V288 V322	P192-M196 WeakPolarHBondContact O-CG 3.34Å; P192-M196 PolarHBondContact O-N 3.45Å; G193-M196 PolarHBondContact O-N 3.23Å; G193-M196 VanDerWaalsContact O-N 3.16Å; M196-V199 PolarHBondContact O-N 3.26Å; M196-A200 VanDerWaalsContact O-CB 3.29Å; M196-A200 WeakPolarHBondContact O-CB 3.28Å; M196-A200 PolarHBondContact O-N 3.1Å; M196-I220 HydrophobicContact CB-CG1 4.48Å; M196-V288 HydrophobicContact CG-CG2 4.46Å; M196-V322 HydrophobicContact CE-CB 4.41Å; M196-V322 HydrophobicContact CE-CG1 3.81Å; M196-V322 HydrophobicContact CE-CG2 3.83Å
197	D	93.2	Very high	93.8	Very high	51 Å²	51	40.2 Å²	40.2	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-65.7	-42.1	176.3	-71.8	-23.7	0	0	0	112	G193 D194 T195 A200 R201 G216 G217	G193-D197 WeakPolarHBondContact O-CB 3.2Å; G193-D197 PolarHBondContact O-N 2.99Å; D194-D197 PolarHBondContact O-N 3.38Å; T195-D197 VanDerWaalsContact C-N 3.34Å; T195-D197 PolarHBondContact O-N 3.22Å; D197-A200 PolarHBondContact O-N 3.11Å; D197-R201 WeakPolarHBondContact O-CB 3.46Å; D197-R201 PolarHBondContact O-N 2.83Å; D197-G216 WeakPolarHBondContact OD1-CA 3.3Å; D197-G216 PolarHBondContact OD1-N 3.36Å; D197-G217 PolarHBondContact OD1-N 2.89Å
198	K	94	Very high	93.7	Very high	60 Å²	60	40.1 Å²	40.1	26%	0.261	19%	0.193	S	C	.	.	H	α-helix	trans	-64.9	-41.3	173.9	-75.8	166.5	173.7	163	0	112.1	E190 D194 T195 R201 R202	E190-K198 IonicContact OE2-NZ 3.48Å; E190-K198 PolarHBondContact OE2-NZ 3.16Å; D194-K198 WeakPolarHBondContact O-CB 3.31Å; D194-K198 VanDerWaalsContact O-CG 3.31Å; D194-K198 WeakPolarHBondContact O-CG 3.43Å; D194-K198 PolarHBondContact O-N 3.31Å; D194-K198 WeakPolarHBondContact OD1-CE 3.39Å; D194-K198 IonicContact OD1-NZ 3.38Å; D194-K198 WeakPolarHBondContact OD2-CE 3.27Å; D194-K198 IonicContact OD2-NZ 3.38Å; D194-K198 PolarHBondContact OD2-NZ 2.82Å; T195-K198 PolarHBondContact O-N 3.42Å; K198-R201 PolarHBondContact O-N 3.48Å; K198-R202 WeakPolarHBondContact O-CB 3.45Å; K198-R202 PolarHBondContact O-N 3.47Å
199	V	96.3	Very high	93.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-45.5	175.5	170	0	0	0	0	110.7	T195 M196 R201 R202 L203 I220 R252 V255 T284	T195-V199 VanDerWaalsContact O-CG2 3.32Å; T195-V199 WeakPolarHBondContact O-CG2 3.19Å; T195-V199 PolarHBondContact O-N 2.95Å; M196-V199 PolarHBondContact O-N 3.26Å; V199-R201 VanDerWaalsContact C-N 3.28Å; V199-R201 PolarHBondContact O-N 3.4Å; V199-R202 PolarHBondContact O-N 2.82Å; V199-R202 VanDerWaalsContact O-N 3.1Å; V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.38Å; V199-L203 WeakPolarHBondContact O-CB 3.37Å; V199-L203 WeakPolarHBondContact O-CG 3.43Å; V199-L203 PolarHBondContact O-N 3.23Å; V199-I220 HydrophobicContact CG1-CD1 3.94Å; V199-R252 HydrophobicContact CG2-CG 4.47Å; V199-V255 HydrophobicContact CB-CG1 4.48Å; V199-V255 HydrophobicContact CG1-CG1 3.71Å; V199-V255 HydrophobicContact CG2-CB 4.21Å; V199-V255 HydrophobicContact CG2-CG1 3.9Å; V199-T284 HydrophobicContact CB-CG2 4.46Å; V199-T284 HydrophobicContact CG1-CG2 4.14Å; V199-T284 HydrophobicContact CG2-CG2 4.24Å
200	A	95.4	Very high	93.4	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-41.5	175.9	0	0	0	0	0	111.9	M196 D197 L203 S204 L205 I220	M196-A200 VanDerWaalsContact O-CB 3.29Å; M196-A200 WeakPolarHBondContact O-CB 3.28Å; M196-A200 PolarHBondContact O-N 3.1Å; D197-A200 PolarHBondContact O-N 3.11Å; A200-L203 PolarHBondContact O-N 3.02Å; A200-S204 PolarHBondContact O-N 3.17Å; A200-L205 HydrophobicContact CB-CB 4.41Å; A200-L205 HydrophobicContact CB-CD1 3.72Å; A200-L205 HydrophobicContact CB-CG 4.15Å; A200-L205 WeakPolarHBondContact O-CB 3.46Å; A200-L205 WeakPolarHBondContact O-CG 3.27Å; A200-L205 PolarHBondContact O-N 3.29Å; A200-I220 HydrophobicContact CB-CD1 4.46Å; A200-I220 HydrophobicContact CB-CG1 4.17Å
201	R	93.1	Very high	93.4	Very high	137 Å²	137	42.2 Å²	42.2	52%	0.517	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-44	174.3	-167.9	-177.6	-56.4	131.1	6.1	111.8	G71 D197 K198 V199 L203 S204	G71-R201 PolarHBondContact O-NH2 3.42Å; D197-R201 WeakPolarHBondContact O-CB 3.46Å; D197-R201 PolarHBondContact O-N 2.83Å; K198-R201 PolarHBondContact O-N 3.48Å; V199-R201 VanDerWaalsContact C-N 3.28Å; V199-R201 PolarHBondContact O-N 3.4Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 2.92Å; R201-S204 PolarHBondContact O-N 2.83Å
202	R	95.2	Very high	92.9	Very high	30 Å²	30	44.8 Å²	44.8	11%	0.113	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-32.6	179.8	-176.8	60.1	-172.9	87.1	-5.4	113	K198 V199 S204 T256 I259 E263	K198-R202 WeakPolarHBondContact O-CB 3.45Å; K198-R202 PolarHBondContact O-N 3.47Å; V199-R202 PolarHBondContact O-N 2.82Å; V199-R202 VanDerWaalsContact O-N 3.1Å; R202-S204 PolarHBondContact O-N 3.25Å; R202-T256 HydrophobicContact CG-CG2 4.39Å; R202-I259 HydrophobicContact CB-CD1 4.14Å; R202-I259 HydrophobicContact CG-CD1 3.63Å; R202-I259 HydrophobicContact CG-CG2 4.25Å; R202-E263 IonicContact CZ-OE1 3.65Å; R202-E263 IonicContact CZ-OE2 3.84Å; R202-E263 IonicContact NH1-OE1 2.86Å; R202-E263 PolarHBondContact NH1-OE1 3.43Å; R202-E263 IonicContact NH1-OE2 3.48Å; R202-E263 PolarHBondContact NH1-OE2 3.17Å; R202-E263 IonicContact NH2-OE1 3.82Å; R202-E263 PolarHBondContact NH2-OE1 2.87Å; R202-E263 IonicContact NH2-OE2 3.42Å; R202-E263 PolarHBondContact NH2-OE2 2.99Å
203	L	95.5	Very high	92.3	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.4	172.3	-73.7	172.9	0	0	0	113.4	V199 A200 R201 L205 I220 I259 V277 I280	V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.38Å; V199-L203 WeakPolarHBondContact O-CB 3.37Å; V199-L203 WeakPolarHBondContact O-CG 3.43Å; V199-L203 PolarHBondContact O-N 3.23Å; A200-L203 PolarHBondContact O-N 3.02Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 2.92Å; L203-L205 HydrophobicContact CB-CD2 3.61Å; L203-L205 HydrophobicContact CB-CG 3.83Å; L203-L205 HydrophobicContact CD1-CD2 4.32Å; L203-L205 PolarHBondContact O-N 3.19Å; L203-I220 HydrophobicContact CD1-CD1 4.14Å; L203-I259 HydrophobicContact CD2-CD1 3.52Å; L203-I259 HydrophobicContact CD2-CG1 3.68Å; L203-I259 HydrophobicContact CD2-CG2 4.49Å; L203-I259 HydrophobicContact CG-CD1 3.68Å; L203-I259 HydrophobicContact CG-CG1 4.39Å; L203-V277 HydrophobicContact CB-CG2 4.23Å; L203-V277 HydrophobicContact CD1-CG2 4.2Å; L203-V277 HydrophobicContact CD2-CG2 4.27Å; L203-V277 HydrophobicContact CG-CG2 4.48Å; L203-I280 HydrophobicContact CD1-CB 4.45Å; L203-I280 HydrophobicContact CD1-CG2 4.05Å; L203-I280 HydrophobicContact CD2-CB 4.3Å; L203-I280 HydrophobicContact CD2-CD1 4.08Å; L203-I280 HydrophobicContact CD2-CG2 4.07Å
204	S	94.3	Very high	92	Very high	14 Å²	14	54.6 Å²	54.6	10%	0.098	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	33.7	-177.7	-50.3	0	0	0	0	113.5	A200 R201 R202 I206 K207 G271 L273	A200-S204 PolarHBondContact O-N 3.17Å; R201-S204 PolarHBondContact O-N 2.83Å; R202-S204 PolarHBondContact O-N 3.25Å; S204-I206 PolarHBondContact O-N 3.23Å; S204-K207 WeakPolarHBondContact O-CB 3.37Å; S204-K207 PolarHBondContact O-N 3.26Å; S204-G271 VanDerWaalsContact OG-C 3.26Å; S204-G271 WeakPolarHBondContact OG-CA 3.32Å; S204-G271 PolarHBondContact OG-O 3.25Å; S204-L273 WeakPolarHBondContact O-CD2 3.39Å
205	L	93.3	Very high	91.7	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.7	-173	-63.2	-166.4	0	0	0	113.5	A200 L203 K207 H208 C211 A219 I220 L223 V277	A200-L205 HydrophobicContact CB-CB 4.41Å; A200-L205 HydrophobicContact CB-CD1 3.72Å; A200-L205 HydrophobicContact CB-CG 4.15Å; A200-L205 WeakPolarHBondContact O-CB 3.46Å; A200-L205 WeakPolarHBondContact O-CG 3.27Å; A200-L205 PolarHBondContact O-N 3.29Å; L203-L205 HydrophobicContact CB-CD2 3.61Å; L203-L205 HydrophobicContact CB-CG 3.83Å; L203-L205 HydrophobicContact CD1-CD2 4.32Å; L203-L205 PolarHBondContact O-N 3.19Å; L205-K207 PolarHBondContact O-N 2.95Å; L205-H208 VanDerWaalsContact O-CB 3.22Å; L205-H208 WeakPolarHBondContact O-CB 3.48Å; L205-H208 PolarHBondContact O-N 3.04Å; L205-C211 HydrophobicContact CB-CB 4.28Å; L205-C211 VanDerWaalsContact O-CB 3.22Å; L205-C211 WeakPolarHBondContact O-CB 3.45Å; L205-A219 HydrophobicContact CB-CB 4.29Å; L205-A219 HydrophobicContact CD1-CB 3.71Å; L205-I220 HydrophobicContact CD1-CD1 3.92Å; L205-I220 HydrophobicContact CD1-CG1 4.3Å; L205-L223 HydrophobicContact CD1-CD1 3.98Å; L205-L223 HydrophobicContact CD2-CD1 3.48Å; L205-L223 VanDerWaalsContact CD2-CD1 3.48Å; L205-L223 HydrophobicContact CG-CD1 4.3Å; L205-V277 HydrophobicContact CD2-CG2 3.22Å
206	I	90.2	Very high	91.4	Very high	126 Å²	126	55.2 Å²	55.2	65%	0.646	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-59.4	-26.2	173.5	-162.4	168.9	0	0	0	112.8	S204 H208 S212	S204-I206 PolarHBondContact O-N 3.23Å; I206-H208 VanDerWaalsContact C-N 3.29Å; I206-S212 WeakPolarHBondContact O-CA 3.14Å; I206-S212 WeakPolarHBondContact O-CB 3.47Å
207	K	91.1	Very high	91.3	Very high	132 Å²	132	55.8 Å²	55.8	57%	0.574	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-80.3	-12.1	175.1	-60.7	-173.7	179.6	-176.5	0	112.6	S204 L205 G271 L273	S204-K207 WeakPolarHBondContact O-CB 3.37Å; S204-K207 PolarHBondContact O-N 3.26Å; L205-K207 PolarHBondContact O-N 2.95Å; K207-G271 WeakPolarHBondContact CD-O 3.29Å; K207-G271 VanDerWaalsContact CE-O 3.24Å; K207-G271 WeakPolarHBondContact CE-O 3.37Å; K207-G271 PolarHBondContact NZ-O 3.24Å; K207-L273 HydrophobicContact CB-CD1 4.13Å; K207-L273 HydrophobicContact CB-CG 4.13Å
208	H	92.1	Very high	91.3	Very high	32 Å²	32	58.1 Å²	58.1	15%	0.148	30%	0.297	C	S	.	.	S	Bend	trans	-79.6	132.4	-179.4	-171.8	-83.3	0	0	0	110.2	L205 I206 K210 C211 S212 L223 L273	L205-H208 VanDerWaalsContact O-CB 3.22Å; L205-H208 WeakPolarHBondContact O-CB 3.48Å; L205-H208 PolarHBondContact O-N 3.04Å; I206-H208 VanDerWaalsContact C-N 3.29Å; H208-K210 VanDerWaalsContact C-N 3.25Å; H208-K210 PolarHBondContact ND1-N 3.41Å; H208-K210 VanDerWaalsContact ND1-N 3.17Å; H208-K210 PolarHBondContact O-N 2.97Å; H208-K210 VanDerWaalsContact O-N 3.12Å; H208-C211 HydrophobicContact CB-CB 4.14Å; H208-C211 PolarHBondContact O-N 2.92Å; H208-S212 PolarHBondContact O-N 3.17Å; H208-L223 VanDerWaalsContact CE1-CD2 3.44Å; H208-L223 WeakPolarHBondContact CE1-CD2 3.49Å; H208-L273 HydrophobicContact CB-CD1 4.15Å; H208-L273 HydrophobicContact CB-CD2 4.07Å
209	P	89.8	Confident	91.3	Very high	114 Å²	114	55.3 Å²	55.3	74%	0.74	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.3	-175	-27.8	34.2	0	0	0	114.7	C211	P209-C211 VanDerWaalsContact C-N 3.3Å; P209-C211 PolarHBondContact O-N 2.73Å
210	K	91.5	Very high	91.4	Very high	117 Å²	117	55.3 Å²	55.3	51%	0.509	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.6	178.9	-58.8	-177.6	-174.2	178.4	0	114.3	H208 I222 D226	H208-K210 VanDerWaalsContact C-N 3.25Å; H208-K210 PolarHBondContact ND1-N 3.41Å; H208-K210 VanDerWaalsContact ND1-N 3.17Å; H208-K210 PolarHBondContact O-N 2.97Å; H208-K210 VanDerWaalsContact O-N 3.12Å; K210-I222 HydrophobicContact CB-CG2 4.25Å; K210-I222 HydrophobicContact CD-CG2 4.13Å; K210-D226 IonicContact NZ-OD2 2.66Å; K210-D226 PolarHBondContact NZ-OD2 3.2Å
211	C	90.9	Very high	91.5	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.027	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-1.7	-161.7	-57.5	0	0	0	0	115.4	L205 H208 P209 M213 I214 A219	L205-C211 HydrophobicContact CB-CB 4.28Å; L205-C211 VanDerWaalsContact O-CB 3.22Å; L205-C211 WeakPolarHBondContact O-CB 3.45Å; H208-C211 HydrophobicContact CB-CB 4.14Å; H208-C211 PolarHBondContact O-N 2.92Å; P209-C211 VanDerWaalsContact C-N 3.3Å; P209-C211 PolarHBondContact O-N 2.73Å; C211-M213 VanDerWaalsContact C-N 3.26Å; C211-M213 PolarHBondContact O-N 2.83Å; C211-I214 HydrophobicContact CB-CD1 4.35Å; C211-I214 HydrophobicContact CB-CG1 4.37Å; C211-I214 WeakPolarHBondContact O-CG1 3.39Å; C211-A219 HydrophobicContact CB-CB 3.76Å
212	S	83.8	Confident	91.7	Very high	58 Å²	58	52.4 Å²	52.4	41%	0.406	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.1	-171.6	55.8	0	0	0	0	115.2	I206 H208	I206-S212 WeakPolarHBondContact O-CA 3.14Å; I206-S212 WeakPolarHBondContact O-CB 3.47Å; H208-S212 PolarHBondContact O-N 3.17Å
213	M	82.6	Confident	91.8	Very high	157 Å²	157	51 Å²	51	77%	0.773	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	16.2	-172.2	-61.9	-60.8	-66.9	0	0	113.8	C211	C211-M213 VanDerWaalsContact C-N 3.26Å; C211-M213 PolarHBondContact O-N 2.83Å
214	I	86.3	Confident	91.9	Very high	52 Å²	52	51.4 Å²	51.4	27%	0.267	28%	0.276	S	S	.	.	S	Bend	trans	-125.2	161.3	-176.1	62.1	176.5	0	0	0	111.5	C211 Q218 A219 I222	C211-I214 HydrophobicContact CB-CD1 4.35Å; C211-I214 HydrophobicContact CB-CG1 4.37Å; C211-I214 WeakPolarHBondContact O-CG1 3.39Å; I214-Q218 HydrophobicContact CB-CB 4.31Å; I214-Q218 HydrophobicContact CD1-CB 4.18Å; I214-Q218 HydrophobicContact CG1-CB 4.5Å; I214-A219 HydrophobicContact CD1-CB 4.04Å; I214-A219 HydrophobicContact CG1-CB 4.14Å; I214-I222 HydrophobicContact CD1-CD1 3.49Å; I214-I222 VanDerWaalsContact CD1-CD1 3.49Å
215	S	85.8	Confident	91.9	Very high	49 Å²	49	59 Å²	59	34%	0.343	30%	0.303	S	S	.	.			trans	-63.8	155.2	176.2	62	0	0	0	0	112	G217 Q218 A219	S215-G217 PolarHBondContact O-N 3.47Å; S215-Q218 WeakPolarHBondContact O-CB 3.24Å; S215-Q218 PolarHBondContact O-N 2.89Å; S215-Q218 VanDerWaalsContact O-N 3.13Å; S215-Q218 WeakPolarHBondContact OG-CB 3.42Å; S215-Q218 VanDerWaalsContact OG-CG 3.22Å; S215-Q218 WeakPolarHBondContact OG-CG 3.34Å; S215-Q218 PolarHBondContact OG-OE1 3.37Å; S215-A219 PolarHBondContact O-N 3Å
216	G	90.5	Very high	92	Very high	13 Å²	13	63 Å²	63	13%	0.134	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-42	-177.6	0	0	0	0	0	112.7	D197 Q218 A219 I220	D197-G216 WeakPolarHBondContact OD1-CA 3.3Å; D197-G216 PolarHBondContact OD1-N 3.36Å; G216-Q218 VanDerWaalsContact C-N 3.32Å; G216-Q218 PolarHBondContact O-N 3.33Å; G216-A219 PolarHBondContact O-N 3.19Å; G216-I220 VanDerWaalsContact O-CG1 3.32Å; G216-I220 WeakPolarHBondContact O-CG1 3.35Å; G216-I220 PolarHBondContact O-N 2.69Å
217	G	92.8	Very high	92.3	Very high	14 Å²	14	58 Å²	58	14%	0.144	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-41.9	171.2	0	0	0	0	0	113.9	D197 S215 E221	D197-G217 PolarHBondContact OD1-N 2.89Å; S215-G217 PolarHBondContact O-N 3.47Å; G217-E221 PolarHBondContact O-N 3.17Å
218	Q	92.9	Very high	92.5	Very high	100 Å²	100	55.6 Å²	55.6	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-69.9	-41.2	175.2	-73.5	170.2	-30.8	0	0	112	I214 S215 G216 I220 E221 I222	I214-Q218 HydrophobicContact CB-CB 4.31Å; I214-Q218 HydrophobicContact CD1-CB 4.18Å; I214-Q218 HydrophobicContact CG1-CB 4.5Å; S215-Q218 WeakPolarHBondContact O-CB 3.24Å; S215-Q218 PolarHBondContact O-N 2.89Å; S215-Q218 VanDerWaalsContact O-N 3.13Å; S215-Q218 WeakPolarHBondContact OG-CB 3.42Å; S215-Q218 VanDerWaalsContact OG-CG 3.22Å; S215-Q218 WeakPolarHBondContact OG-CG 3.34Å; S215-Q218 PolarHBondContact OG-OE1 3.37Å; G216-Q218 VanDerWaalsContact C-N 3.32Å; G216-Q218 PolarHBondContact O-N 3.33Å; Q218-I220 VanDerWaalsContact C-N 3.33Å; Q218-I220 PolarHBondContact O-N 2.96Å; Q218-E221 PolarHBondContact O-N 3.06Å; Q218-E221 VanDerWaalsContact O-N 3.14Å; Q218-I222 WeakPolarHBondContact O-CG1 3.38Å; Q218-I222 PolarHBondContact O-N 3.09Å
219	A	95.2	Very high	92.6	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-44.1	176.8	0	0	0	0	0	111.6	L205 C211 I214 S215 G216 E221 I222 L223	L205-A219 HydrophobicContact CB-CB 4.29Å; L205-A219 HydrophobicContact CD1-CB 3.71Å; C211-A219 HydrophobicContact CB-CB 3.76Å; I214-A219 HydrophobicContact CD1-CB 4.04Å; I214-A219 HydrophobicContact CG1-CB 4.14Å; S215-A219 PolarHBondContact O-N 3Å; G216-A219 PolarHBondContact O-N 3.19Å; A219-E221 VanDerWaalsContact C-N 3.31Å; A219-E221 PolarHBondContact O-N 2.92Å; A219-I222 PolarHBondContact O-N 3.12Å; A219-L223 WeakPolarHBondContact O-CG 3.38Å; A219-L223 PolarHBondContact O-N 3.06Å; A219-L223 VanDerWaalsContact O-N 3.08Å
220	I	97.5	Very high	92.8	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.7	-44.1	174	-69	-69.9	0	0	0	110.5	M196 V199 A200 L203 L205 G216 Q218 A224 A281 Q285	M196-I220 HydrophobicContact CB-CG1 4.48Å; V199-I220 HydrophobicContact CG1-CD1 3.94Å; A200-I220 HydrophobicContact CB-CD1 4.46Å; A200-I220 HydrophobicContact CB-CG1 4.17Å; L203-I220 HydrophobicContact CD1-CD1 4.14Å; L205-I220 HydrophobicContact CD1-CD1 3.92Å; L205-I220 HydrophobicContact CD1-CG1 4.3Å; G216-I220 VanDerWaalsContact O-CG1 3.32Å; G216-I220 WeakPolarHBondContact O-CG1 3.35Å; G216-I220 PolarHBondContact O-N 2.69Å; Q218-I220 VanDerWaalsContact C-N 3.33Å; Q218-I220 PolarHBondContact O-N 2.96Å; I220-A224 WeakPolarHBondContact O-CB 3.49Å; I220-A224 PolarHBondContact O-N 3.19Å; I220-A281 HydrophobicContact CD1-CB 3.97Å; I220-A281 HydrophobicContact CG2-CB 4.38Å; I220-Q285 HydrophobicContact CG2-CB 4.02Å
221	E	97.1	Very high	92.9	Very high	24 Å²	24	57.2 Å²	57.2	11%	0.112	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-39.5	179.2	-173.9	173.4	-172.4	0	0	114.4	G217 Q218 A219 N325 Q326	G217-E221 PolarHBondContact O-N 3.17Å; Q218-E221 PolarHBondContact O-N 3.06Å; Q218-E221 VanDerWaalsContact O-N 3.14Å; A219-E221 VanDerWaalsContact C-N 3.31Å; A219-E221 PolarHBondContact O-N 2.92Å; E221-N325 WeakPolarHBondContact CB-ND2 3.42Å; E221-N325 WeakPolarHBondContact CG-ND2 3.24Å; E221-N325 WeakPolarHBondContact OE2-CA 3.41Å; E221-N325 PolarHBondContact OE2-ND2 3.43Å; E221-Q326 WeakPolarHBondContact OE1-CB 3.24Å; E221-Q326 PolarHBondContact OE1-N 2.95Å
222	I	96.8	Very high	93.1	Very high	56 Å²	56	58.1 Å²	58.1	29%	0.287	30%	0.299	S	S	.	.	H	α-helix	trans	-66.4	-47.2	178.8	-70.4	176.5	0	0	0	110.4	K210 I214 Q218 A219 R225	K210-I222 HydrophobicContact CB-CG2 4.25Å; K210-I222 HydrophobicContact CD-CG2 4.13Å; I214-I222 HydrophobicContact CD1-CD1 3.49Å; I214-I222 VanDerWaalsContact CD1-CD1 3.49Å; Q218-I222 WeakPolarHBondContact O-CG1 3.38Å; Q218-I222 PolarHBondContact O-N 3.09Å; A219-I222 PolarHBondContact O-N 3.12Å; I222-R225 PolarHBondContact O-N 3.41Å
223	L	97.3	Very high	93.6	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-73.3	-31.5	-178	-61.3	-173.7	0	0	0	112.9	L205 H208 A219 R225 D226 V277 N278 A281	L205-L223 HydrophobicContact CD1-CD1 3.98Å; L205-L223 HydrophobicContact CD2-CD1 3.48Å; L205-L223 VanDerWaalsContact CD2-CD1 3.48Å; L205-L223 HydrophobicContact CG-CD1 4.3Å; H208-L223 VanDerWaalsContact CE1-CD2 3.44Å; H208-L223 WeakPolarHBondContact CE1-CD2 3.49Å; A219-L223 WeakPolarHBondContact O-CG 3.38Å; A219-L223 PolarHBondContact O-N 3.06Å; A219-L223 VanDerWaalsContact O-N 3.08Å; L223-R225 PolarHBondContact O-N 2.79Å; L223-D226 PolarHBondContact O-N 3.38Å; L223-D226 VanDerWaalsContact O-N 3.11Å; L223-V277 HydrophobicContact CD1-CG1 4.46Å; L223-V277 HydrophobicContact CD1-CG2 3.97Å; L223-N278 WeakPolarHBondContact O-CB 3.47Å; L223-A281 HydrophobicContact CB-CB 3.98Å
224	A	97.3	Very high	94.2	Very high	11 Å²	11	55.6 Å²	55.6	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-24.3	177.2	0	0	0	0	0	113.7	I220 D226 G227 A281 A282 Q285	I220-A224 WeakPolarHBondContact O-CB 3.49Å; I220-A224 PolarHBondContact O-N 3.19Å; A224-D226 VanDerWaalsContact C-N 3.28Å; A224-D226 PolarHBondContact O-N 3.29Å; A224-G227 PolarHBondContact O-N 3.43Å; A224-A281 HydrophobicContact CB-CB 4.49Å; A224-A282 HydrophobicContact CB-CB 4.14Å; A224-Q285 HydrophobicContact CB-CB 4.31Å
225	R	95.9	Very high	94.3	Very high	173 Å²	173	61 Å²	61	65%	0.653	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.9	176.9	-66.4	173.6	-174.3	-172.8	0.2	112.6	I222 L223	I222-R225 PolarHBondContact O-N 3.41Å; L223-R225 PolarHBondContact O-N 2.79Å
226	D	95.1	Very high	94.2	Very high	89 Å²	89	60.7 Å²	60.7	48%	0.476	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	19.1	-176	-60.9	-28.4	0	0	0	111.1	K210 L223 A224 N278	K210-D226 IonicContact NZ-OD2 2.66Å; K210-D226 PolarHBondContact NZ-OD2 3.2Å; L223-D226 PolarHBondContact O-N 3.38Å; L223-D226 VanDerWaalsContact O-N 3.11Å; A224-D226 VanDerWaalsContact C-N 3.28Å; A224-D226 PolarHBondContact O-N 3.29Å; D226-N278 WeakPolarHBondContact CB-ND2 3.25Å; D226-N278 WeakPolarHBondContact O-CB 3.49Å; D226-N278 PolarHBondContact O-ND2 3.38Å
227	G	95.6	Very high	93.9	Very high	21 Å²	21	60.8 Å²	60.8	22%	0.216	30%	0.299	C	S	.	.	S	Bend	trans	-132.3	154.4	-173.2	0	0	0	0	0	114.1	A224	A224-G227 PolarHBondContact O-N 3.43Å
228	D	95.2	Very high	93.7	Very high	80 Å²	80	61.4 Å²	61.4	43%	0.428	30%	0.298	S	S	.	.			trans	-91.5	108.8	176.1	-177.3	3.6	0	0	0	111.6	L230 K231 D279	D228-L230 PolarHBondContact O-N 3.22Å; D228-L230 VanDerWaalsContact O-N 3.11Å; D228-L230 WeakPolarHBondContact OD1-CB 3.36Å; D228-L230 PolarHBondContact OD1-N 3.33Å; D228-K231 HydrophobicContact CB-CB 4.26Å; D228-K231 WeakPolarHBondContact O-CB 3.45Å; D228-K231 PolarHBondContact O-N 2.72Å; D228-D279 PolarHBondContact N-OD1 3.49Å
229	R	94.6	Very high	93.2	Very high	64 Å²	64	59.9 Å²	59.9	24%	0.242	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.8	176.6	66	175.1	174.6	154.8	-1.9	114.9	A282 H286 Y327 L407	R229-A282 HydrophobicContact CB-CB 4.13Å; R229-H286 HydrophobicContact CB-CB 3.94Å; R229-H286 PolarHBondContact NH1-CE1 3.45Å; R229-H286 PolarHBondContact NH1-ND1 2.95Å; R229-Y327 PolarHBondContact NH1-OH 2.58Å; R229-L407 PolarHBondContact NH1-O 3.49Å
230	L	93.6	Very high	92.8	Very high	111 Å²	111	63.9 Å²	63.9	58%	0.581	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-12.6	179.8	-59.4	-178.4	0	0	0	113.1	D228 F232	D228-L230 PolarHBondContact O-N 3.22Å; D228-L230 VanDerWaalsContact O-N 3.11Å; D228-L230 WeakPolarHBondContact OD1-CB 3.36Å; D228-L230 PolarHBondContact OD1-N 3.33Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.06Å
231	K	94.4	Very high	92.5	Very high	123 Å²	123	68 Å²	68	54%	0.535	36%	0.362	S	S	.	.	S	Bend	trans	-68.1	-31.5	-178.2	-164.4	179	-172.3	171.6	0	112.9	D228 D279	D228-K231 HydrophobicContact CB-CB 4.26Å; D228-K231 WeakPolarHBondContact O-CB 3.45Å; D228-K231 PolarHBondContact O-N 2.72Å; K231-D279 HydrophobicContact CB-CB 4.2Å; K231-D279 HydrophobicContact CD-CB 3.71Å; K231-D279 WeakPolarHBondContact CD-OD2 3.41Å; K231-D279 WeakPolarHBondContact CE-OD2 3.39Å; K231-D279 IonicContact NZ-OD2 3.53Å; K231-D279 PolarHBondContact NZ-OD2 3.43Å
232	F	95.5	Very high	92.4	Very high	22 Å²	22	71.5 Å²	71.5	10%	0.096	38%	0.375	C	S	.	.	S	Bend	trans	-119.5	120.9	172.9	-65.2	-93.6	0	0	0	109.9	L230 F234 K262 C276 D279 I280 A283	L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.06Å; F232-F234 HydrophobicContact CB-CE1 4.22Å; F232-F234 HydrophobicContact CB-CE2 3.94Å; F232-F234 HydrophobicContact CB-CZ 3.69Å; F232-F234 HydrophobicContact CD1-CZ 4.44Å; F232-F234 HydrophobicContact CG-CZ 4.31Å; F232-K262 HydrophobicContact CE1-CG 4.15Å; F232-K262 HydrophobicContact CZ-CD 4.32Å; F232-K262 HydrophobicContact CZ-CG 4.14Å; F232-C276 HydrophobicContact CE2-CB 4.2Å; F232-C276 HydrophobicContact CZ-CB 4.23Å; F232-D279 HydrophobicContact CD2-CB 3.95Å; F232-D279 HydrophobicContact CE2-CB 3.78Å; F232-I280 HydrophobicContact CD1-CG1 4.38Å; F232-I280 HydrophobicContact CD2-CG1 3.85Å; F232-I280 HydrophobicContact CE1-CD1 4.36Å; F232-I280 HydrophobicContact CE1-CG1 4.07Å; F232-I280 HydrophobicContact CE2-CD1 4.39Å; F232-I280 HydrophobicContact CE2-CG1 3.51Å; F232-I280 HydrophobicContact CG-CG1 4.27Å; F232-I280 HydrophobicContact CZ-CD1 4.02Å; F232-I280 HydrophobicContact CZ-CG1 3.62Å; F232-A283 HydrophobicContact CB-CB 3.71Å; F232-A283 VanDerWaalsContact O-CB 3.26Å; F232-A283 WeakPolarHBondContact O-CB 3.24Å
233	L	93.3	Very high	92.3	Very high	145 Å²	145	69.3 Å²	69.3	76%	0.759	36%	0.363	S	S	*	.			trans	-101.8	89.8	-176.7	-63.3	-179.7	0	0	0	110.7
234	F	94.7	Very high	92.3	Very high	18 Å²	18	69.2 Å²	69.2	8%	0.079	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-85.1	138.2	173.3	-53	-53.4	0	0	0	111.2	F232 P236 L251 Q254 V255 S258 A283 T287	F232-F234 HydrophobicContact CB-CE1 4.22Å; F232-F234 HydrophobicContact CB-CE2 3.94Å; F232-F234 HydrophobicContact CB-CZ 3.69Å; F232-F234 HydrophobicContact CD1-CZ 4.44Å; F232-F234 HydrophobicContact CG-CZ 4.31Å; F234-P236 WeakPolarHBondContact O-CD 3.28Å; F234-L251 HydrophobicContact CB-CD1 3.56Å; F234-L251 HydrophobicContact CD2-CD1 4.29Å; F234-L251 HydrophobicContact CG-CD1 4.01Å; F234-Q254 HydrophobicContact CD1-CB 4.09Å; F234-V255 HydrophobicContact CD1-CG2 4.31Å; F234-V255 HydrophobicContact CD2-CG2 3.95Å; F234-V255 HydrophobicContact CE1-CG2 4.08Å; F234-V255 HydrophobicContact CE2-CG2 3.69Å; F234-V255 HydrophobicContact CG-CG2 4.25Å; F234-V255 HydrophobicContact CZ-CB 4.33Å; F234-V255 HydrophobicContact CZ-CG1 4.49Å; F234-V255 HydrophobicContact CZ-CG2 3.77Å; F234-S258 WeakPolarHBondContact CE1-OG 3.36Å; F234-A283 HydrophobicContact CD2-CB 3.88Å; F234-A283 HydrophobicContact CE2-CB 3.57Å; F234-T287 HydrophobicContact CB-CG2 4.01Å
235	K	89.1	Confident	92.3	Very high	165 Å²	165	69.5 Å²	69.5	72%	0.717	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-82.4	123.9	177.9	-67.7	-179.6	-178	175.2	0	109.5	Q254	K235-Q254 PolarHBondContact O-NE2 2.93Å; K235-Q254 VanDerWaalsContact O-NE2 3.15Å
236	P	82.9	Confident	92.3	Very high	43 Å²	43	61.3 Å²	61.3	28%	0.279	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-60.1	133.9	173.2	-23.1	33.2	0	0	0	110.8	F234 T287	F234-P236 WeakPolarHBondContact O-CD 3.28Å; P236-T287 HydrophobicContact CB-CG2 4.49Å; P236-T287 HydrophobicContact CG-CG2 4.18Å
237	P	85.6	Confident	92.4	Very high	15 Å²	15	57.9 Å²	57.9	10%	0.097	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	159.3	-178.7	24.5	-29.9	0	0	0	112.2	G239 S247 H291 R295	P237-G239 VanDerWaalsContact C-N 3.25Å; P237-G239 PolarHBondContact O-N 3Å; P237-G239 VanDerWaalsContact O-N 3.16Å; P237-S247 WeakPolarHBondContact CG-O 3.09Å; P237-H291 PolarHBondContact O-CE1 2.86Å; P237-H291 VanDerWaalsContact O-CE1 3.27Å; P237-H291 PolarHBondContact O-ND1 2.92Å; P237-R295 PolarHBondContact O-NH2 3.47Å
238	M	89.1	Confident	92.4	Very high	26 Å²	26	56.9 Å²	56.9	13%	0.128	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	25	172.3	-56	174.8	73.5	0	0	115.1	L188 A240 H241 N245 S247 R295	L188-M238 HydrophobicContact CD1-CE 3.66Å; L188-M238 HydrophobicContact CD1-SD 4.28Å; M238-A240 PolarHBondContact O-N 2.88Å; M238-H241 HydrophobicContact CB-CB 4.26Å; M238-H241 HydrophobicContact CE-CB 4.28Å; M238-H241 WeakPolarHBondContact O-CB 3.39Å; M238-H241 PolarHBondContact O-N 3.49Å; M238-N245 HydrophobicContact CE-CB 3.73Å; M238-S247 WeakPolarHBondContact SD-CB 3.42Å; M238-R295 PolarHBondContact O-NH2 2.66Å
239	G	81.9	Confident	92.4	Very high	69 Å²	69	54.1 Å²	54.1	71%	0.711	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.4	-176	0	0	0	0	0	115.5	P237	P237-G239 VanDerWaalsContact C-N 3.25Å; P237-G239 PolarHBondContact O-N 3Å; P237-G239 VanDerWaalsContact O-N 3.16Å
240	A	86.6	Confident	92.3	Very high	85 Å²	85	52.6 Å²	52.6	70%	0.702	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.1	178.3	0	0	0	0	0	114.6	M238	M238-A240 PolarHBondContact O-N 2.88Å
241	H	91.5	Very high	92.4	Very high	87 Å²	87	47.3 Å²	47.3	40%	0.403	27%	0.27	S	S	.	.			trans	-96.3	126.8	-175.3	-62.2	-110.3	0	0	0	111.3	M238 D243 R295	M238-H241 HydrophobicContact CB-CB 4.26Å; M238-H241 HydrophobicContact CE-CB 4.28Å; M238-H241 WeakPolarHBondContact O-CB 3.39Å; M238-H241 PolarHBondContact O-N 3.49Å; H241-D243 VanDerWaalsContact C-N 3.26Å; H241-D243 PolarHBondContact O-N 3.43Å; H241-R295 PolarHBondContact O-NH1 3.21Å
242	Y	94	Very high	92.5	Very high	98 Å²	98	44.6 Å²	44.6	38%	0.384	26%	0.256	S	S	.	.			trans	-85.9	16.8	177.8	-60.2	-71.1	0	0	0	114.1	R298 K401	Y242-R298 WeakPolarHBondContact O-CD 3.44Å; Y242-K401 HydrophobicContact CE1-CG 3.99Å
243	D	94.9	Very high	92.6	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.048	27%	0.272	C	S	.	.	S	Bend	trans	-97.3	176.5	174.6	62.6	25.5	0	0	0	112.2	H241 N245 R295 R298 T392 K396	H241-D243 VanDerWaalsContact C-N 3.26Å; H241-D243 PolarHBondContact O-N 3.43Å; D243-N245 PolarHBondContact OD1-N 2.74Å; D243-N245 PolarHBondContact OD2-ND2 3.44Å; D243-R295 PolarHBondContact O-NH1 3.45Å; D243-R295 IonicContact OD1-NH1 2.7Å; D243-R295 PolarHBondContact OD1-NH1 2.85Å; D243-R298 PolarHBondContact O-NH1 3.18Å; D243-T392 HydrophobicContact CB-CG2 4.31Å; D243-K396 HydrophobicContact CB-CB 4.31Å
244	C	96.9	Very high	92.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.249	C	C	.	.			trans	-101.4	16.8	173.5	-66.5	0	0	0	0	112.7	L172 L184 A299 V395	L172-C244 HydrophobicContact CD1-CB 3.96Å; L184-C244 HydrophobicContact CB-CB 4.49Å; L184-C244 WeakPolarHBondContact O-CB 3.42Å; C244-A299 PolarHBondContact SG-N 3.04Å; C244-A299 VanDerWaalsContact SG-N 3.38Å; C244-V395 HydrophobicContact CB-CG1 4.36Å; C244-V395 VanDerWaalsContact SG-CG1 3.58Å
245	N	97.5	Very high	92.9	Very high	17 Å²	17	42.5 Å²	42.5	9%	0.091	25%	0.246	C	C	.	.			trans	-72.5	154	178.8	-72.2	-38.2	0	0	0	111.7	G185 Q186 L188 M238 D243 R295 T392	G185-N245 WeakPolarHBondContact CA-OD1 3.43Å; Q186-N245 PolarHBondContact N-OD1 2.6Å; Q186-N245 VanDerWaalsContact N-OD1 3.08Å; Q186-N245 WeakPolarHBondContact O-CA 3.38Å; Q186-N245 PolarHBondContact O-OD1 2.92Å; L188-N245 HydrophobicContact CD1-CB 4.02Å; L188-N245 HydrophobicContact CD2-CB 4.24Å; L188-N245 HydrophobicContact CG-CB 4.01Å; M238-N245 HydrophobicContact CE-CB 3.73Å; D243-N245 PolarHBondContact OD1-N 2.74Å; D243-N245 PolarHBondContact OD2-ND2 3.44Å; N245-R295 WeakPolarHBondContact O-CD 3.42Å; N245-R295 PolarHBondContact O-NE 3.12Å; N245-T392 WeakPolarHBondContact ND2-CG2 3.04Å
246	F	97.2	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-111	155.1	177.9	-54.5	-89.8	0	0	0	111.3	L163 S170 L172 Q186 L188 F248 I292 R295	L163-F246 HydrophobicContact CD1-CE2 4.49Å; L163-F246 HydrophobicContact CD1-CZ 3.77Å; S170-F246 VanDerWaalsContact OG-CD2 3.27Å; S170-F246 WeakPolarHBondContact OG-CD2 3.22Å; S170-F246 VanDerWaalsContact OG-CG 3.27Å; S170-F246 WeakPolarHBondContact OG-CG 3.44Å; L172-F246 HydrophobicContact CB-CE2 4.5Å; L172-F246 HydrophobicContact CD1-CE1 4.42Å; L172-F246 HydrophobicContact CD1-CE2 3.91Å; L172-F246 HydrophobicContact CD1-CZ 3.44Å; L172-F246 VanDerWaalsContact CD1-CZ 3.44Å; L172-F246 HydrophobicContact CG-CE2 4.01Å; L172-F246 HydrophobicContact CG-CZ 3.76Å; Q186-F246 PolarHBondContact O-N 2.86Å; L188-F246 PolarHBondContact N-O 3.28Å; F246-F248 HydrophobicContact CB-CD2 4.36Å; F246-F248 HydrophobicContact CB-CE2 3.64Å; F246-F248 HydrophobicContact CB-CZ 4.31Å; F246-F248 HydrophobicContact CD1-CE2 4.27Å; F246-F248 HydrophobicContact CD1-CZ 4.15Å; F246-F248 HydrophobicContact CG-CE2 4.28Å; F246-I292 HydrophobicContact CE1-CG1 4.45Å; F246-R295 HydrophobicContact CD1-CB 4.11Å; F246-R295 HydrophobicContact CD1-CG 3.78Å; F246-R295 HydrophobicContact CE1-CB 3.5Å; F246-R295 VanDerWaalsContact CE1-CB 3.5Å; F246-R295 HydrophobicContact CE1-CG 3.71Å; F246-R295 HydrophobicContact CZ-CB 3.86Å; F246-R295 HydrophobicContact CZ-CG 4.42Å
247	S	96	Very high	93.9	Very high	18 Å²	18	39 Å²	39	13%	0.126	23%	0.231	C	C	.	.			trans	-158.1	134.9	174.2	163.4	0	0	0	0	106	D189 P237 M238 H291	D189-S247 VanDerWaalsContact OD1-CA 3.24Å; D189-S247 WeakPolarHBondContact OD1-CA 3.5Å; D189-S247 WeakPolarHBondContact OD2-CB 3.32Å; D189-S247 PolarHBondContact OD2-OG 3.39Å; P237-S247 WeakPolarHBondContact CG-O 3.09Å; M238-S247 WeakPolarHBondContact SD-CB 3.42Å; S247-H291 PolarHBondContact N-NE2 3.46Å; S247-H291 PolarHBondContact O-CD2 3.49Å; S247-H291 PolarHBondContact O-NE2 3.46Å; S247-H291 VanDerWaalsContact O-NE2 3.08Å
248	F	96.3	Very high	94.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.237	C	C	.	.			trans	-133.7	-13.7	-178.2	-62	-87.9	0	0	0	112.9	D189 E190 P192 T195 F246 G250 L251 R252 V288 H291 I292	D189-F248 PolarHBondContact OD1-N 3.01Å; E190-F248 HydrophobicContact CG-CB 4.2Å; E190-F248 WeakPolarHBondContact O-CD2 3.22Å; P192-F248 HydrophobicContact CB-CD1 4.34Å; P192-F248 HydrophobicContact CB-CD2 4.45Å; P192-F248 HydrophobicContact CB-CE1 3.89Å; P192-F248 HydrophobicContact CB-CE2 3.99Å; P192-F248 HydrophobicContact CB-CZ 3.7Å; P192-F248 HydrophobicContact CG-CE2 4.06Å; P192-F248 HydrophobicContact CG-CZ 4.02Å; T195-F248 HydrophobicContact CG2-CB 4.21Å; T195-F248 WeakPolarHBondContact OG1-CB 3.32Å; F246-F248 HydrophobicContact CB-CD2 4.36Å; F246-F248 HydrophobicContact CB-CE2 3.64Å; F246-F248 HydrophobicContact CB-CZ 4.31Å; F246-F248 HydrophobicContact CD1-CE2 4.27Å; F246-F248 HydrophobicContact CD1-CZ 4.15Å; F246-F248 HydrophobicContact CG-CE2 4.28Å; F248-G250 VanDerWaalsContact C-N 3.28Å; F248-G250 PolarHBondContact O-N 3.07Å; F248-L251 WeakPolarHBondContact O-CB 3.35Å; F248-L251 PolarHBondContact O-N 2.92Å; F248-R252 PolarHBondContact O-N 3.45Å; F248-V288 HydrophobicContact CD1-CG2 4.38Å; F248-V288 HydrophobicContact CE1-CG1 4.02Å; F248-H291 HydrophobicContact CE1-CB 4.49Å; F248-H291 AromaticContact CE1-CD2 3.6Å; F248-H291 AromaticContact CZ-CD2 3.75Å; F248-I292 HydrophobicContact CE1-CG1 4.32Å; F248-I292 HydrophobicContact CZ-CD1 4.42Å; F248-I292 HydrophobicContact CZ-CG1 3.94Å
249	A	94.1	Very high	94.8	Very high	21 Å²	21	38.5 Å²	38.5	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-38	179.3	0	0	0	0	0	112.8	D189 E190 L251 R252 N253	D189-A249 HydrophobicContact CB-CB 4.06Å; D189-A249 PolarHBondContact OD1-N 3.47Å; D189-A249 WeakPolarHBondContact OD2-CB 3.34Å; D189-A249 PolarHBondContact OD2-N 3.36Å; E190-A249 HydrophobicContact CG-CB 4.07Å; A249-L251 VanDerWaalsContact C-N 3.33Å; A249-L251 PolarHBondContact O-N 3.17Å; A249-R252 PolarHBondContact O-N 3.12Å; A249-N253 VanDerWaalsContact O-CG 3.29Å; A249-N253 PolarHBondContact O-N 3.44Å
250	G	94.1	Very high	95.5	Very high	33 Å²	33	38.7 Å²	38.7	34%	0.34	21%	0.214	S	C	.	.	H	α-helix	trans	-66.1	-33.3	175.5	0	0	0	0	0	113.4	F248 Q254	F248-G250 VanDerWaalsContact C-N 3.28Å; F248-G250 PolarHBondContact O-N 3.07Å; G250-Q254 WeakPolarHBondContact O-CG 3.49Å; G250-Q254 PolarHBondContact O-N 3.43Å; G250-Q254 PolarHBondContact O-NE2 3.09Å
251	L	95.5	Very high	96	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.1	-48.4	173.1	173.1	58.6	0	0	0	110.4	F234 F248 A249 N253 Q254 V255 T287 V288	F234-L251 HydrophobicContact CB-CD1 3.56Å; F234-L251 HydrophobicContact CD2-CD1 4.29Å; F234-L251 HydrophobicContact CG-CD1 4.01Å; F248-L251 WeakPolarHBondContact O-CB 3.35Å; F248-L251 PolarHBondContact O-N 2.92Å; A249-L251 VanDerWaalsContact C-N 3.33Å; A249-L251 PolarHBondContact O-N 3.17Å; L251-N253 PolarHBondContact O-N 2.87Å; L251-Q254 WeakPolarHBondContact O-CB 3.11Å; L251-Q254 PolarHBondContact O-N 3.25Å; L251-Q254 VanDerWaalsContact O-N 3.09Å; L251-V255 HydrophobicContact CD1-CG2 4.11Å; L251-V255 HydrophobicContact CG-CG2 4.47Å; L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 2.96Å; L251-T287 HydrophobicContact CD1-CG2 3.57Å; L251-T287 HydrophobicContact CD2-CG2 3.84Å; L251-T287 HydrophobicContact CG-CG2 4.34Å; L251-V288 HydrophobicContact CD2-CG2 3.61Å
252	R	96.1	Very high	96.2	Very high	65 Å²	65	39 Å²	39	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-51.6	-46.1	175.4	-175.1	-155.2	64.7	-157.3	4.3	111.4	E190 T195 V199 F248 A249 V255 T256	E190-R252 VanDerWaalsContact OE1-CB 3.31Å; E190-R252 WeakPolarHBondContact OE1-CB 3.4Å; E190-R252 WeakPolarHBondContact OE1-CD 3.16Å; E190-R252 IonicContact OE1-NH1 3.54Å; E190-R252 IonicContact OE2-CZ 3.79Å; E190-R252 IonicContact OE2-NH1 2.67Å; E190-R252 PolarHBondContact OE2-NH1 3.03Å; T195-R252 HydrophobicContact CG2-CB 4.04Å; V199-R252 HydrophobicContact CG2-CG 4.47Å; F248-R252 PolarHBondContact O-N 3.45Å; A249-R252 PolarHBondContact O-N 3.12Å; R252-V255 PolarHBondContact O-N 3.17Å; R252-T256 PolarHBondContact O-N 3.02Å; R252-T256 PolarHBondContact O-OG1 3.04Å; R252-T256 VanDerWaalsContact O-OG1 3.08Å
253	N	96.2	Very high	96.3	Very high	79 Å²	79	35 Å²	35	42%	0.422	18%	0.183	S	C	.	.	H	α-helix	trans	-62.9	-44.4	178.6	-71.2	-8.6	0	0	0	112.4	A249 L251 V255 T256 M257	A249-N253 VanDerWaalsContact O-CG 3.29Å; A249-N253 PolarHBondContact O-N 3.44Å; L251-N253 PolarHBondContact O-N 2.87Å; N253-V255 VanDerWaalsContact C-N 3.28Å; N253-V255 PolarHBondContact O-N 2.92Å; N253-T256 PolarHBondContact O-N 3.11Å; N253-M257 VanDerWaalsContact O-CG 3.31Å; N253-M257 WeakPolarHBondContact O-CG 3.29Å; N253-M257 PolarHBondContact O-N 3.44Å
254	Q	97	Very high	96.4	Very high	62 Å²	62	42 Å²	42	29%	0.29	22%	0.215	S	C	.	.	H	α-helix	trans	-57.6	-42.3	175	-74.3	173.1	76.9	0	0	112	F234 K235 G250 L251 S258	F234-Q254 HydrophobicContact CD1-CB 4.09Å; K235-Q254 PolarHBondContact O-NE2 2.93Å; K235-Q254 VanDerWaalsContact O-NE2 3.15Å; G250-Q254 WeakPolarHBondContact O-CG 3.49Å; G250-Q254 PolarHBondContact O-N 3.43Å; G250-Q254 PolarHBondContact O-NE2 3.09Å; L251-Q254 WeakPolarHBondContact O-CB 3.11Å; L251-Q254 PolarHBondContact O-N 3.25Å; L251-Q254 VanDerWaalsContact O-N 3.09Å; Q254-S258 PolarHBondContact O-N 3.33Å; Q254-S258 VanDerWaalsContact O-N 3.12Å; Q254-S258 PolarHBondContact O-OG 2.7Å
255	V	97.7	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-48.7	177.5	177.4	0	0	0	0	110.5	V199 F234 L251 R252 N253 M257 S258 I259 I280 T284	V199-V255 HydrophobicContact CB-CG1 4.48Å; V199-V255 HydrophobicContact CG1-CG1 3.71Å; V199-V255 HydrophobicContact CG2-CB 4.21Å; V199-V255 HydrophobicContact CG2-CG1 3.9Å; F234-V255 HydrophobicContact CD1-CG2 4.31Å; F234-V255 HydrophobicContact CD2-CG2 3.95Å; F234-V255 HydrophobicContact CE1-CG2 4.08Å; F234-V255 HydrophobicContact CE2-CG2 3.69Å; F234-V255 HydrophobicContact CG-CG2 4.25Å; F234-V255 HydrophobicContact CZ-CB 4.33Å; F234-V255 HydrophobicContact CZ-CG1 4.49Å; F234-V255 HydrophobicContact CZ-CG2 3.77Å; L251-V255 HydrophobicContact CD1-CG2 4.11Å; L251-V255 HydrophobicContact CG-CG2 4.47Å; L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 2.96Å; R252-V255 PolarHBondContact O-N 3.17Å; N253-V255 VanDerWaalsContact C-N 3.28Å; N253-V255 PolarHBondContact O-N 2.92Å; V255-M257 VanDerWaalsContact C-N 3.33Å; V255-M257 PolarHBondContact O-N 3.29Å; V255-S258 WeakPolarHBondContact O-CB 3.41Å; V255-S258 PolarHBondContact O-N 3.08Å; V255-I259 HydrophobicContact CG1-CD1 3.81Å; V255-I259 HydrophobicContact CG1-CG1 4.35Å; V255-I259 WeakPolarHBondContact O-CG1 3.25Å; V255-I259 PolarHBondContact O-N 3.39Å; V255-I280 HydrophobicContact CG1-CG2 3.82Å; V255-T284 HydrophobicContact CG2-CG2 4.39Å
256	T	97	Very high	96.3	Very high	29 Å²	29	49.1 Å²	49.1	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-43.5	178	-62.5	0	0	0	0	112.5	R202 R252 N253 S258 I259 Q260	R202-T256 HydrophobicContact CG-CG2 4.39Å; R252-T256 PolarHBondContact O-N 3.02Å; R252-T256 PolarHBondContact O-OG1 3.04Å; R252-T256 VanDerWaalsContact O-OG1 3.08Å; N253-T256 PolarHBondContact O-N 3.11Å; T256-S258 VanDerWaalsContact C-N 3.31Å; T256-S258 PolarHBondContact O-N 3.25Å; T256-I259 PolarHBondContact O-N 3.07Å; T256-Q260 WeakPolarHBondContact O-CG 3.44Å; T256-Q260 PolarHBondContact O-N 2.77Å
257	M	96.9	Very high	96.1	Very high	105 Å²	105	52.5 Å²	52.5	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-38.4	176.2	-66	-63.3	95.8	0	0	111.9	N253 V255 I259 Q260 K261	N253-M257 VanDerWaalsContact O-CG 3.31Å; N253-M257 WeakPolarHBondContact O-CG 3.29Å; N253-M257 PolarHBondContact O-N 3.44Å; V255-M257 VanDerWaalsContact C-N 3.33Å; V255-M257 PolarHBondContact O-N 3.29Å; M257-I259 VanDerWaalsContact C-N 3.34Å; M257-Q260 PolarHBondContact O-N 3.23Å; M257-K261 WeakPolarHBondContact O-CB 3.4Å; M257-K261 PolarHBondContact O-N 3.23Å
258	S	97.2	Very high	96	Very high	31 Å²	31	53.7 Å²	53.7	22%	0.217	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-35	177.7	-58.3	0	0	0	0	112.2	F234 Q254 V255 T256 K262	F234-S258 WeakPolarHBondContact CE1-OG 3.36Å; Q254-S258 PolarHBondContact O-N 3.33Å; Q254-S258 VanDerWaalsContact O-N 3.12Å; Q254-S258 PolarHBondContact O-OG 2.7Å; V255-S258 WeakPolarHBondContact O-CB 3.41Å; V255-S258 PolarHBondContact O-N 3.08Å; T256-S258 VanDerWaalsContact C-N 3.31Å; T256-S258 PolarHBondContact O-N 3.25Å; S258-K262 WeakPolarHBondContact O-CG 3.42Å; S258-K262 PolarHBondContact O-N 3.46Å; S258-K262 VanDerWaalsContact O-N 3.12Å
259	I	97.2	Very high	95.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-49.4	173.3	-66	167.3	0	0	0	110.1	R202 L203 V255 T256 M257 K261 K262 E263 L274 I280	R202-I259 HydrophobicContact CB-CD1 4.14Å; R202-I259 HydrophobicContact CG-CD1 3.63Å; R202-I259 HydrophobicContact CG-CG2 4.25Å; L203-I259 HydrophobicContact CD2-CD1 3.52Å; L203-I259 HydrophobicContact CD2-CG1 3.68Å; L203-I259 HydrophobicContact CD2-CG2 4.49Å; L203-I259 HydrophobicContact CG-CD1 3.68Å; L203-I259 HydrophobicContact CG-CG1 4.39Å; V255-I259 HydrophobicContact CG1-CD1 3.81Å; V255-I259 HydrophobicContact CG1-CG1 4.35Å; V255-I259 WeakPolarHBondContact O-CG1 3.25Å; V255-I259 PolarHBondContact O-N 3.39Å; T256-I259 PolarHBondContact O-N 3.07Å; M257-I259 VanDerWaalsContact C-N 3.34Å; I259-K261 VanDerWaalsContact C-N 3.33Å; I259-K261 PolarHBondContact O-N 2.98Å; I259-K262 PolarHBondContact O-N 2.8Å; I259-E263 HydrophobicContact CG2-CG 4.42Å; I259-E263 WeakPolarHBondContact O-CG 3.38Å; I259-E263 PolarHBondContact O-N 2.94Å; I259-L274 HydrophobicContact CB-CD1 4.43Å; I259-L274 HydrophobicContact CG2-CD1 3.79Å; I259-I280 HydrophobicContact CD1-CG2 4.49Å; I259-I280 HydrophobicContact CG1-CD1 3.94Å; I259-I280 HydrophobicContact CG1-CG2 4.29Å
260	Q	96.3	Very high	95.6	Very high	73 Å²	73	67.4 Å²	67.4	34%	0.341	35%	0.349	S	S	.	.	H	α-helix	trans	-57	-46.9	178.1	-76.3	176.3	-18	0	0	112	T256 M257 K262 E263 E264	T256-Q260 WeakPolarHBondContact O-CG 3.44Å; T256-Q260 PolarHBondContact O-N 2.77Å; M257-Q260 PolarHBondContact O-N 3.23Å; Q260-K262 VanDerWaalsContact C-N 3.25Å; Q260-K262 PolarHBondContact O-N 2.74Å; Q260-E263 WeakPolarHBondContact O-CB 3.42Å; Q260-E263 PolarHBondContact O-N 3.36Å; Q260-E263 VanDerWaalsContact O-N 3.17Å; Q260-E264 WeakPolarHBondContact O-CG 3.44Å; Q260-E264 PolarHBondContact O-N 3.41Å
261	K	96.4	Very high	95.3	Very high	122 Å²	122	66.6 Å²	66.6	53%	0.53	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-39.6	176.5	-167.2	-170.9	-176.6	-136.6	0	112	M257 I259 E264 E265	M257-K261 WeakPolarHBondContact O-CB 3.4Å; M257-K261 PolarHBondContact O-N 3.23Å; I259-K261 VanDerWaalsContact C-N 3.33Å; I259-K261 PolarHBondContact O-N 2.98Å; K261-E264 PolarHBondContact O-N 3.31Å; K261-E265 WeakPolarHBondContact CE-OE1 3.12Å; K261-E265 IonicContact NZ-OE1 2.65Å; K261-E265 PolarHBondContact NZ-OE1 2.83Å; K261-E265 WeakPolarHBondContact O-CB 3.29Å; K261-E265 VanDerWaalsContact O-CG 3.26Å; K261-E265 WeakPolarHBondContact O-CG 3.47Å; K261-E265 PolarHBondContact O-N 2.95Å
262	K	96.5	Very high	95.1	Very high	56 Å²	56	69.4 Å²	69.4	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-71.8	-34.3	178.3	-75	-71.7	170.7	-161.8	0	113	F232 S258 I259 Q260 E264 E265 E266 L274	F232-K262 HydrophobicContact CE1-CG 4.15Å; F232-K262 HydrophobicContact CZ-CD 4.32Å; F232-K262 HydrophobicContact CZ-CG 4.14Å; S258-K262 WeakPolarHBondContact O-CG 3.42Å; S258-K262 PolarHBondContact O-N 3.46Å; S258-K262 VanDerWaalsContact O-N 3.12Å; I259-K262 PolarHBondContact O-N 2.8Å; Q260-K262 VanDerWaalsContact C-N 3.25Å; Q260-K262 PolarHBondContact O-N 2.74Å; K262-E264 VanDerWaalsContact C-N 3.34Å; K262-E265 WeakPolarHBondContact CD-OE2 3.27Å; K262-E265 WeakPolarHBondContact CE-OE2 3.27Å; K262-E265 IonicContact NZ-OE2 2.69Å; K262-E265 PolarHBondContact NZ-OE2 2.84Å; K262-E265 PolarHBondContact O-N 3.42Å; K262-E266 WeakPolarHBondContact O-CB 3.17Å; K262-E266 WeakPolarHBondContact O-CG 3.21Å; K262-E266 PolarHBondContact O-N 2.88Å; K262-L274 HydrophobicContact CB-CD1 3.81Å; K262-L274 HydrophobicContact CB-CD2 4.17Å
263	E	96.2	Very high	94.9	Very high	14 Å²	14	68.9 Å²	68.9	7%	0.065	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-43.4	171.9	-70.9	172	160.7	0	0	111.2	R202 I259 Q260 E266 G267 V268 L274	R202-E263 IonicContact CZ-OE1 3.65Å; R202-E263 IonicContact CZ-OE2 3.84Å; R202-E263 IonicContact NH1-OE1 2.86Å; R202-E263 PolarHBondContact NH1-OE1 3.43Å; R202-E263 IonicContact NH1-OE2 3.48Å; R202-E263 PolarHBondContact NH1-OE2 3.17Å; R202-E263 IonicContact NH2-OE1 3.82Å; R202-E263 PolarHBondContact NH2-OE1 2.87Å; R202-E263 IonicContact NH2-OE2 3.42Å; R202-E263 PolarHBondContact NH2-OE2 2.99Å; I259-E263 HydrophobicContact CG2-CG 4.42Å; I259-E263 WeakPolarHBondContact O-CG 3.38Å; I259-E263 PolarHBondContact O-N 2.94Å; Q260-E263 WeakPolarHBondContact O-CB 3.42Å; Q260-E263 PolarHBondContact O-N 3.36Å; Q260-E263 VanDerWaalsContact O-N 3.17Å; E263-E266 PolarHBondContact O-N 3.5Å; E263-G267 PolarHBondContact O-N 2.92Å; E263-V268 HydrophobicContact CB-CG2 4.15Å; E263-V268 HydrophobicContact CG-CG2 4.12Å; E263-V268 PolarHBondContact O-N 3.49Å; E263-L274 HydrophobicContact CB-CD2 4.48Å; E263-L274 HydrophobicContact CG-CD1 4.32Å; E263-L274 HydrophobicContact CG-CD2 3.77Å; E263-L274 HydrophobicContact CG-CG 4.28Å
264	E	96	Very high	94.8	Very high	155 Å²	155	65.5 Å²	65.5	72%	0.724	34%	0.342	S	S	*	.	H	α-helix	trans	-63.6	-45.6	174.2	-68.9	170.6	-173	0	0	112.2	Q260 K261 K262 E266 G267	Q260-E264 WeakPolarHBondContact O-CG 3.44Å; Q260-E264 PolarHBondContact O-N 3.41Å; K261-E264 PolarHBondContact O-N 3.31Å; K262-E264 VanDerWaalsContact C-N 3.34Å; E264-E266 PolarHBondContact O-N 3.02Å; E264-G267 PolarHBondContact O-N 2.9Å
265	E	95.8	Very high	94.7	Very high	101 Å²	101	67.3 Å²	67.3	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-35.8	178.7	-73.9	172.4	-171.4	0	0	112.6	K261 K262	K261-E265 WeakPolarHBondContact CE-OE1 3.12Å; K261-E265 IonicContact NZ-OE1 2.65Å; K261-E265 PolarHBondContact NZ-OE1 2.83Å; K261-E265 WeakPolarHBondContact O-CB 3.29Å; K261-E265 VanDerWaalsContact O-CG 3.26Å; K261-E265 WeakPolarHBondContact O-CG 3.47Å; K261-E265 PolarHBondContact O-N 2.95Å; K262-E265 WeakPolarHBondContact CD-OE2 3.27Å; K262-E265 WeakPolarHBondContact CE-OE2 3.27Å; K262-E265 IonicContact NZ-OE2 2.69Å; K262-E265 PolarHBondContact NZ-OE2 2.84Å; K262-E265 PolarHBondContact O-N 3.42Å
266	E	95.8	Very high	94.6	Very high	66 Å²	66	67.6 Å²	67.6	31%	0.308	36%	0.364	S	S	.	.	H	α-helix	trans	-85.9	-9.9	177.2	-67.8	-178.4	-154.5	0	0	112.8	K262 E263 E264 V268 S275	K262-E266 WeakPolarHBondContact O-CB 3.17Å; K262-E266 WeakPolarHBondContact O-CG 3.21Å; K262-E266 PolarHBondContact O-N 2.88Å; E263-E266 PolarHBondContact O-N 3.5Å; E264-E266 PolarHBondContact O-N 3.02Å; E266-V268 VanDerWaalsContact C-N 3.31Å; E266-V268 HydrophobicContact CB-CG1 4.19Å; E266-V268 HydrophobicContact CB-CG2 4.11Å; E266-V268 PolarHBondContact O-N 3.38Å; E266-S275 VanDerWaalsContact CD-OG 3.27Å; E266-S275 PolarHBondContact OE1-N 3.2Å; E266-S275 PolarHBondContact OE1-OG 2.91Å; E266-S275 PolarHBondContact OE2-N 3.03Å; E266-S275 PolarHBondContact OE2-OG 2.8Å
267	G	94.2	Very high	94.5	Very high	71 Å²	71	66.8 Å²	66.8	73%	0.732	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	30.8	-177.3	0	0	0	0	0	113.6	E263 E264	E263-G267 PolarHBondContact O-N 2.92Å; E264-G267 PolarHBondContact O-N 2.9Å
268	V	93.8	Very high	94.6	Very high	43 Å²	43	63.7 Å²	63.7	26%	0.261	34%	0.344	S	S	.	.			trans	-108.7	146.8	-176.9	-61.2	0	0	0	0	111.8	E263 E266 T272 L274	E263-V268 HydrophobicContact CB-CG2 4.15Å; E263-V268 HydrophobicContact CG-CG2 4.12Å; E263-V268 PolarHBondContact O-N 3.49Å; E266-V268 VanDerWaalsContact C-N 3.31Å; E266-V268 HydrophobicContact CB-CG1 4.19Å; E266-V268 HydrophobicContact CB-CG2 4.11Å; E266-V268 PolarHBondContact O-N 3.38Å; V268-T272 HydrophobicContact CB-CG2 4.17Å; V268-T272 HydrophobicContact CG1-CG2 4.32Å; V268-L274 HydrophobicContact CG2-CD2 3.8Å
269	E	91.8	Very high	94.6	Very high	164 Å²	164	63.2 Å²	63.2	77%	0.766	34%	0.339	S	S	*	.			trans	-75.5	150.9	175.8	-65.1	-174.6	172.2	0	0	112.1	G271 T272	E269-G271 PolarHBondContact O-N 2.9Å; E269-T272 VanDerWaalsContact O-CB 3.28Å; E269-T272 WeakPolarHBondContact O-CB 3.4Å; E269-T272 PolarHBondContact O-N 2.85Å; E269-T272 VanDerWaalsContact O-N 3.1Å; E269-T272 PolarHBondContact O-OG1 3.08Å
270	Q	90.1	Very high	94.6	Very high	145 Å²	145	63.1 Å²	63.1	68%	0.678	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	132.9	172.5	-178.7	-178.4	-43.4	0	0	110.5
271	G	87.9	Confident	94.7	Very high	16 Å²	16	59.7 Å²	59.7	17%	0.165	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	-6.9	-175.2	0	0	0	0	0	113	S204 K207 E269	S204-G271 VanDerWaalsContact OG-C 3.26Å; S204-G271 WeakPolarHBondContact OG-CA 3.32Å; S204-G271 PolarHBondContact OG-O 3.25Å; K207-G271 WeakPolarHBondContact CD-O 3.29Å; K207-G271 VanDerWaalsContact CE-O 3.24Å; K207-G271 WeakPolarHBondContact CE-O 3.37Å; K207-G271 PolarHBondContact NZ-O 3.24Å; E269-G271 PolarHBondContact O-N 2.9Å
272	T	90.9	Very high	94.8	Very high	59 Å²	59	54.1 Å²	54.1	36%	0.362	30%	0.299	S	S	.	.	S	Bend	trans	-87.1	148.9	173.9	-50.8	0	0	0	0	110.3	V268 E269 L274	V268-T272 HydrophobicContact CB-CG2 4.17Å; V268-T272 HydrophobicContact CG1-CG2 4.32Å; E269-T272 VanDerWaalsContact O-CB 3.28Å; E269-T272 WeakPolarHBondContact O-CB 3.4Å; E269-T272 PolarHBondContact O-N 2.85Å; E269-T272 VanDerWaalsContact O-N 3.1Å; E269-T272 PolarHBondContact O-OG1 3.08Å; T272-L274 PolarHBondContact O-N 3.3Å
273	L	92.8	Very high	94.8	Very high	55 Å²	55	51.4 Å²	51.4	29%	0.288	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-73.5	122.3	172.3	-74.9	171.7	0	0	0	109.3	S204 K207 H208	S204-L273 WeakPolarHBondContact O-CD2 3.39Å; K207-L273 HydrophobicContact CB-CD1 4.13Å; K207-L273 HydrophobicContact CB-CG 4.13Å; H208-L273 HydrophobicContact CB-CD1 4.15Å; H208-L273 HydrophobicContact CB-CD2 4.07Å
274	L	93.6	Very high	94.9	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-73.1	148.5	173.9	-71.6	175.6	0	0	0	111.7	I259 K262 E263 V268 T272 C276 V277 I280	I259-L274 HydrophobicContact CB-CD1 4.43Å; I259-L274 HydrophobicContact CG2-CD1 3.79Å; K262-L274 HydrophobicContact CB-CD1 3.81Å; K262-L274 HydrophobicContact CB-CD2 4.17Å; E263-L274 HydrophobicContact CB-CD2 4.48Å; E263-L274 HydrophobicContact CG-CD1 4.32Å; E263-L274 HydrophobicContact CG-CD2 3.77Å; E263-L274 HydrophobicContact CG-CG 4.28Å; V268-L274 HydrophobicContact CG2-CD2 3.8Å; T272-L274 PolarHBondContact O-N 3.3Å; L274-C276 PolarHBondContact O-N 3.47Å; L274-V277 WeakPolarHBondContact O-CB 3.29Å; L274-V277 PolarHBondContact O-N 3.49Å; L274-I280 HydrophobicContact CD1-CD1 4.17Å
275	S	94.1	Very high	95	Very high	101 Å²	101	43.7 Å²	43.7	71%	0.706	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.2	174.8	72.9	0	0	0	0	113.2	E266	E266-S275 VanDerWaalsContact CD-OG 3.27Å; E266-S275 PolarHBondContact OE1-N 3.2Å; E266-S275 PolarHBondContact OE1-OG 2.91Å; E266-S275 PolarHBondContact OE2-N 3.03Å; E266-S275 PolarHBondContact OE2-OG 2.8Å
276	C	95.3	Very high	95	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.041	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	20.3	-175.8	60.1	0	0	0	0	114.3	F232 L274 N278 D279 I280	F232-C276 HydrophobicContact CE2-CB 4.2Å; F232-C276 HydrophobicContact CZ-CB 4.23Å; L274-C276 PolarHBondContact O-N 3.47Å; C276-N278 VanDerWaalsContact C-N 3.3Å; C276-N278 PolarHBondContact O-N 3.18Å; C276-D279 PolarHBondContact O-N 3.49Å; C276-D279 VanDerWaalsContact O-N 3.14Å; C276-I280 PolarHBondContact O-N 3.14Å; C276-I280 VanDerWaalsContact O-N 3.09Å
277	V	96.4	Very high	95.1	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-56.2	-39.9	-175.6	67.3	0	0	0	0	113.6	L203 L205 L223 L274 I280 A281	L203-V277 HydrophobicContact CB-CG2 4.23Å; L203-V277 HydrophobicContact CD1-CG2 4.2Å; L203-V277 HydrophobicContact CD2-CG2 4.27Å; L203-V277 HydrophobicContact CG-CG2 4.48Å; L205-V277 HydrophobicContact CD2-CG2 3.22Å; L223-V277 HydrophobicContact CD1-CG1 4.46Å; L223-V277 HydrophobicContact CD1-CG2 3.97Å; L274-V277 WeakPolarHBondContact O-CB 3.29Å; L274-V277 PolarHBondContact O-N 3.49Å; V277-I280 PolarHBondContact O-N 3.2Å; V277-A281 WeakPolarHBondContact O-CB 3.29Å; V277-A281 PolarHBondContact O-N 2.56Å
278	N	97.4	Very high	95.2	Very high	40 Å²	40	34.4 Å²	34.4	21%	0.214	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-42	179.1	-65.3	-3.5	0	0	0	111.6	L223 D226 C276 A281 A282	L223-N278 WeakPolarHBondContact O-CB 3.47Å; D226-N278 WeakPolarHBondContact CB-ND2 3.25Å; D226-N278 WeakPolarHBondContact O-CB 3.49Å; D226-N278 PolarHBondContact O-ND2 3.38Å; C276-N278 VanDerWaalsContact C-N 3.3Å; C276-N278 PolarHBondContact O-N 3.18Å; N278-A281 PolarHBondContact O-N 2.82Å; N278-A282 WeakPolarHBondContact O-CB 3.33Å; N278-A282 PolarHBondContact O-N 3.24Å
279	D	98.1	Very high	95.3	Very high	21 Å²	21	32.3 Å²	32.3	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-67.7	-41.4	-179.3	-59.1	-45.1	0	0	0	111.4	D228 K231 F232 C276 A282 A283	D228-D279 PolarHBondContact N-OD1 3.49Å; K231-D279 HydrophobicContact CB-CB 4.2Å; K231-D279 HydrophobicContact CD-CB 3.71Å; K231-D279 WeakPolarHBondContact CD-OD2 3.41Å; K231-D279 WeakPolarHBondContact CE-OD2 3.39Å; K231-D279 IonicContact NZ-OD2 3.53Å; K231-D279 PolarHBondContact NZ-OD2 3.43Å; F232-D279 HydrophobicContact CD2-CB 3.95Å; F232-D279 HydrophobicContact CE2-CB 3.78Å; C276-D279 PolarHBondContact O-N 3.49Å; C276-D279 VanDerWaalsContact O-N 3.14Å; D279-A282 PolarHBondContact O-N 2.9Å; D279-A283 WeakPolarHBondContact O-CB 3.15Å; D279-A283 PolarHBondContact O-N 3.35Å
280	I	97.9	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-41.6	174.8	-62.6	176.7	0	0	0	110.3	L203 F232 V255 I259 L274 C276 V277 T284	L203-I280 HydrophobicContact CD1-CB 4.45Å; L203-I280 HydrophobicContact CD1-CG2 4.05Å; L203-I280 HydrophobicContact CD2-CB 4.3Å; L203-I280 HydrophobicContact CD2-CD1 4.08Å; L203-I280 HydrophobicContact CD2-CG2 4.07Å; F232-I280 HydrophobicContact CD1-CG1 4.38Å; F232-I280 HydrophobicContact CD2-CG1 3.85Å; F232-I280 HydrophobicContact CE1-CD1 4.36Å; F232-I280 HydrophobicContact CE1-CG1 4.07Å; F232-I280 HydrophobicContact CE2-CD1 4.39Å; F232-I280 HydrophobicContact CE2-CG1 3.51Å; F232-I280 HydrophobicContact CG-CG1 4.27Å; F232-I280 HydrophobicContact CZ-CD1 4.02Å; F232-I280 HydrophobicContact CZ-CG1 3.62Å; V255-I280 HydrophobicContact CG1-CG2 3.82Å; I259-I280 HydrophobicContact CD1-CG2 4.49Å; I259-I280 HydrophobicContact CG1-CD1 3.94Å; I259-I280 HydrophobicContact CG1-CG2 4.29Å; L274-I280 HydrophobicContact CD1-CD1 4.17Å; C276-I280 PolarHBondContact O-N 3.14Å; C276-I280 VanDerWaalsContact O-N 3.09Å; V277-I280 PolarHBondContact O-N 3.2Å; I280-T284 VanDerWaalsContact O-CB 3.24Å; I280-T284 WeakPolarHBondContact O-CB 3.38Å; I280-T284 PolarHBondContact O-N 2.96Å; I280-T284 PolarHBondContact O-OG1 3.46Å
281	A	97.9	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-46.3	175.3	0	0	0	0	0	111.7	I220 L223 A224 V277 N278 T284 Q285	I220-A281 HydrophobicContact CD1-CB 3.97Å; I220-A281 HydrophobicContact CG2-CB 4.38Å; L223-A281 HydrophobicContact CB-CB 3.98Å; A224-A281 HydrophobicContact CB-CB 4.49Å; V277-A281 WeakPolarHBondContact O-CB 3.29Å; V277-A281 PolarHBondContact O-N 2.56Å; N278-A281 PolarHBondContact O-N 2.82Å; A281-T284 PolarHBondContact O-N 2.89Å; A281-Q285 WeakPolarHBondContact O-CB 3.24Å; A281-Q285 PolarHBondContact O-N 2.87Å
282	A	97.6	Very high	96.2	Very high	5 Å²	5	17.2 Å²	17.2	4%	0.041	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-48.2	178	0	0	0	0	0	112.4	A224 R229 N278 D279 T284 Q285 H286	A224-A282 HydrophobicContact CB-CB 4.14Å; R229-A282 HydrophobicContact CB-CB 4.13Å; N278-A282 WeakPolarHBondContact O-CB 3.33Å; N278-A282 PolarHBondContact O-N 3.24Å; D279-A282 PolarHBondContact O-N 2.9Å; A282-T284 PolarHBondContact O-N 2.82Å; A282-Q285 PolarHBondContact O-N 3.11Å; A282-H286 VanDerWaalsContact O-CB 3.29Å; A282-H286 WeakPolarHBondContact O-CB 3.47Å; A282-H286 PolarHBondContact O-N 3.08Å
283	A	97.6	Very high	96.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.6	-39.5	177.5	0	0	0	0	0	112.3	F232 F234 D279 T287	F232-A283 HydrophobicContact CB-CB 3.71Å; F232-A283 VanDerWaalsContact O-CB 3.26Å; F232-A283 WeakPolarHBondContact O-CB 3.24Å; F234-A283 HydrophobicContact CD2-CB 3.88Å; F234-A283 HydrophobicContact CE2-CB 3.57Å; D279-A283 WeakPolarHBondContact O-CB 3.15Å; D279-A283 PolarHBondContact O-N 3.35Å; A283-T287 WeakPolarHBondContact O-CB 3.35Å; A283-T287 PolarHBondContact O-N 3.44Å; A283-T287 PolarHBondContact O-OG1 3.44Å
284	T	97.7	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-53.6	176.1	-60.2	0	0	0	0	110.6	V199 V255 I280 A281 A282 H286 T287 V288	V199-T284 HydrophobicContact CB-CG2 4.46Å; V199-T284 HydrophobicContact CG1-CG2 4.14Å; V199-T284 HydrophobicContact CG2-CG2 4.24Å; V255-T284 HydrophobicContact CG2-CG2 4.39Å; I280-T284 VanDerWaalsContact O-CB 3.24Å; I280-T284 WeakPolarHBondContact O-CB 3.38Å; I280-T284 PolarHBondContact O-N 2.96Å; I280-T284 PolarHBondContact O-OG1 3.46Å; A281-T284 PolarHBondContact O-N 2.89Å; A282-T284 PolarHBondContact O-N 2.82Å; T284-H286 VanDerWaalsContact C-N 3.32Å; T284-H286 PolarHBondContact O-N 3.19Å; T284-T287 PolarHBondContact O-N 2.88Å; T284-V288 WeakPolarHBondContact O-CG2 3.27Å; T284-V288 PolarHBondContact O-N 3.06Å
285	Q	97.7	Very high	96.8	Very high	7 Å²	7	15.9 Å²	15.9	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-58.2	-44.9	179.1	-179.2	179.1	79.9	0	0	111.4	I220 A224 A281 A282 T287 V288 A289 N325 Y327	I220-Q285 HydrophobicContact CG2-CB 4.02Å; A224-Q285 HydrophobicContact CB-CB 4.31Å; A281-Q285 WeakPolarHBondContact O-CB 3.24Å; A281-Q285 PolarHBondContact O-N 2.87Å; A282-Q285 PolarHBondContact O-N 3.11Å; Q285-T287 VanDerWaalsContact C-N 3.31Å; Q285-T287 PolarHBondContact O-N 2.89Å; Q285-V288 PolarHBondContact O-N 3.43Å; Q285-A289 VanDerWaalsContact O-CB 3.3Å; Q285-A289 WeakPolarHBondContact O-CB 3.45Å; Q285-A289 PolarHBondContact O-N 3.07Å; Q285-N325 PolarHBondContact NE2-ND2 3.28Å; Q285-Y327 HydrophobicContact CG-CD1 3.76Å; Q285-Y327 HydrophobicContact CG-CE1 4.45Å; Q285-Y327 HydrophobicContact CG-CG 4.16Å
286	H	97	Very high	97	Very high	34 Å²	34	11 Å²	11	16%	0.157	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-40.7	178.6	-178	56	0	0	0	112.3	R229 A282 T284 S290 Y327	R229-H286 HydrophobicContact CB-CB 3.94Å; R229-H286 PolarHBondContact NH1-CE1 3.45Å; R229-H286 PolarHBondContact NH1-ND1 2.95Å; A282-H286 VanDerWaalsContact O-CB 3.29Å; A282-H286 WeakPolarHBondContact O-CB 3.47Å; A282-H286 PolarHBondContact O-N 3.08Å; T284-H286 VanDerWaalsContact C-N 3.32Å; T284-H286 PolarHBondContact O-N 3.19Å; H286-S290 PolarHBondContact CE1-OG 3.37Å; H286-S290 VanDerWaalsContact CE1-OG 3.31Å; H286-S290 WeakPolarHBondContact O-CB 3.06Å; H286-S290 PolarHBondContact O-N 3.23Å; H286-S290 PolarHBondContact O-OG 3.31Å; H286-Y327 HydrophobicContact CB-CE1 4.36Å; H286-Y327 AromaticContact ND1-CE1 3.99Å; H286-Y327 AromaticContact ND1-CZ 3.8Å; H286-Y327 PolarHBondContact ND1-OH 3.13Å
287	T	96.6	Very high	97.1	Very high	8 Å²	8	11.1 Å²	11.1	5%	0.049	6%	0.055	C	C	.	.	H	α-helix	trans	-71.4	-40.8	-179.2	-52.4	0	0	0	0	111.8	F234 P236 L251 A283 T284 Q285 S290 H291	F234-T287 HydrophobicContact CB-CG2 4.01Å; P236-T287 HydrophobicContact CB-CG2 4.49Å; P236-T287 HydrophobicContact CG-CG2 4.18Å; L251-T287 HydrophobicContact CD1-CG2 3.57Å; L251-T287 HydrophobicContact CD2-CG2 3.84Å; L251-T287 HydrophobicContact CG-CG2 4.34Å; A283-T287 WeakPolarHBondContact O-CB 3.35Å; A283-T287 PolarHBondContact O-N 3.44Å; A283-T287 PolarHBondContact O-OG1 3.44Å; T284-T287 PolarHBondContact O-N 2.88Å; Q285-T287 VanDerWaalsContact C-N 3.31Å; Q285-T287 PolarHBondContact O-N 2.89Å; T287-S290 PolarHBondContact O-N 2.96Å; T287-H291 PolarHBondContact O-N 3.28Å
288	V	97	Very high	97.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.8	-52.7	172	169.5	0	0	0	0	110.4	P192 M196 F248 L251 T284 Q285 S290 H291 I292 I328	P192-V288 HydrophobicContact CB-CG1 3.92Å; M196-V288 HydrophobicContact CG-CG2 4.46Å; F248-V288 HydrophobicContact CD1-CG2 4.38Å; F248-V288 HydrophobicContact CE1-CG1 4.02Å; L251-V288 HydrophobicContact CD2-CG2 3.61Å; T284-V288 WeakPolarHBondContact O-CG2 3.27Å; T284-V288 PolarHBondContact O-N 3.06Å; Q285-V288 PolarHBondContact O-N 3.43Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 3.5Å; V288-H291 PolarHBondContact O-N 3.02Å; V288-I292 HydrophobicContact CG1-CD1 3.86Å; V288-I292 WeakPolarHBondContact O-CG1 3.06Å; V288-I292 PolarHBondContact O-N 2.97Å; V288-I328 HydrophobicContact CG1-CD1 4.35Å
289	A	96.7	Very high	97.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.1	-41.4	-179.9	0	0	0	0	0	112	Q285 I292 A293 Y327 I328 I331	Q285-A289 VanDerWaalsContact O-CB 3.3Å; Q285-A289 WeakPolarHBondContact O-CB 3.45Å; Q285-A289 PolarHBondContact O-N 3.07Å; A289-I292 PolarHBondContact O-N 3.31Å; A289-A293 VanDerWaalsContact O-CB 3.27Å; A289-A293 WeakPolarHBondContact O-CB 3.49Å; A289-A293 PolarHBondContact O-N 3.35Å; A289-Y327 HydrophobicContact CB-CD1 3.92Å; A289-Y327 HydrophobicContact CB-CE1 3.86Å; A289-I328 HydrophobicContact CB-CG1 3.8Å; A289-I331 HydrophobicContact CB-CB 4.29Å; A289-I331 HydrophobicContact CB-CG1 4.04Å; A289-I331 HydrophobicContact CB-CG2 4.2Å
290	S	95.6	Very high	97.3	Very high	8 Å²	8	8.3 Å²	8.3	6%	0.056	4%	0.039	C	C	.	.	H	α-helix	trans	-66.3	-37.8	178.6	-64.5	0	0	0	0	112.9	H286 T287 V288 K294 L407	H286-S290 PolarHBondContact CE1-OG 3.37Å; H286-S290 VanDerWaalsContact CE1-OG 3.31Å; H286-S290 WeakPolarHBondContact O-CB 3.06Å; H286-S290 PolarHBondContact O-N 3.23Å; H286-S290 PolarHBondContact O-OG 3.31Å; T287-S290 PolarHBondContact O-N 2.96Å; V288-S290 VanDerWaalsContact C-N 3.31Å; V288-S290 PolarHBondContact O-N 3.5Å; S290-K294 VanDerWaalsContact O-CG 3.29Å; S290-K294 WeakPolarHBondContact O-CG 3.46Å; S290-K294 PolarHBondContact O-N 3.47Å; S290-K294 VanDerWaalsContact O-N 3.11Å; S290-L407 WeakPolarHBondContact OG-CD1 3.49Å
291	H	96.3	Very high	97.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.6	-48.5	174.5	-176.4	50.4	0	0	0	111	P237 S247 F248 T287 V288 A293 K294 R295	P237-H291 PolarHBondContact O-CE1 2.86Å; P237-H291 VanDerWaalsContact O-CE1 3.27Å; P237-H291 PolarHBondContact O-ND1 2.92Å; S247-H291 PolarHBondContact N-NE2 3.46Å; S247-H291 PolarHBondContact O-CD2 3.49Å; S247-H291 PolarHBondContact O-NE2 3.46Å; S247-H291 VanDerWaalsContact O-NE2 3.08Å; F248-H291 HydrophobicContact CE1-CB 4.49Å; F248-H291 AromaticContact CE1-CD2 3.6Å; F248-H291 AromaticContact CZ-CD2 3.75Å; T287-H291 PolarHBondContact O-N 3.28Å; V288-H291 PolarHBondContact O-N 3.02Å; H291-A293 VanDerWaalsContact C-N 3.34Å; H291-A293 PolarHBondContact O-N 3.25Å; H291-K294 PolarHBondContact O-N 3.42Å; H291-R295 PolarHBondContact CE1-NE 3.27Å; H291-R295 VanDerWaalsContact CE1-NE 3.29Å; H291-R295 WeakPolarHBondContact O-CG 3.44Å; H291-R295 PolarHBondContact O-N 3.43Å; H291-R295 VanDerWaalsContact O-N 3.17Å
292	I	97.1	Very high	97.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-55.7	-51.1	176.4	-66.9	170	0	0	0	110.2	L163 V165 P192 F246 F248 V288 A289 K294 R295 T296 I328 L332	L163-I292 HydrophobicContact CD1-CG2 4.43Å; L163-I292 HydrophobicContact CD2-CG2 3.58Å; V165-I292 HydrophobicContact CG1-CD1 4.39Å; P192-I292 HydrophobicContact CB-CD1 4.23Å; P192-I292 HydrophobicContact CG-CD1 4.34Å; F246-I292 HydrophobicContact CE1-CG1 4.45Å; F248-I292 HydrophobicContact CE1-CG1 4.32Å; F248-I292 HydrophobicContact CZ-CD1 4.42Å; F248-I292 HydrophobicContact CZ-CG1 3.94Å; V288-I292 HydrophobicContact CG1-CD1 3.86Å; V288-I292 WeakPolarHBondContact O-CG1 3.06Å; V288-I292 PolarHBondContact O-N 2.97Å; A289-I292 PolarHBondContact O-N 3.31Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 2.77Å; I292-R295 PolarHBondContact O-N 3.49Å; I292-T296 WeakPolarHBondContact O-CB 3.35Å; I292-T296 PolarHBondContact O-N 3.38Å; I292-T296 PolarHBondContact O-OG1 3.4Å; I292-I328 HydrophobicContact CD1-CD1 4.35Å; I292-L332 HydrophobicContact CG2-CD2 4.2Å
293	A	96.8	Very high	97.3	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-55.2	-43.4	179.2	0	0	0	0	0	113.2	A289 H291 H297 I331 V335 L407	A289-A293 VanDerWaalsContact O-CB 3.27Å; A289-A293 WeakPolarHBondContact O-CB 3.49Å; A289-A293 PolarHBondContact O-N 3.35Å; H291-A293 VanDerWaalsContact C-N 3.34Å; H291-A293 PolarHBondContact O-N 3.25Å; A293-H297 WeakPolarHBondContact O-CB 3.44Å; A293-H297 PolarHBondContact O-N 3.49Å; A293-I331 HydrophobicContact CB-CG2 3.59Å; A293-V335 HydrophobicContact CB-CG2 3.77Å; A293-L407 HydrophobicContact CB-CD1 4.16Å; A293-L407 HydrophobicContact CB-CD2 4.36Å
294	K	96	Very high	97.3	Very high	88 Å²	88	14.9 Å²	14.9	38%	0.383	7%	0.068	S	C	.	.	H	α-helix	trans	-64.6	-43.8	179.4	-75.6	173.4	-177.8	-179.7	0	112	S290 H291 I292 R298 L402	S290-K294 VanDerWaalsContact O-CG 3.29Å; S290-K294 WeakPolarHBondContact O-CG 3.46Å; S290-K294 PolarHBondContact O-N 3.47Å; S290-K294 VanDerWaalsContact O-N 3.11Å; H291-K294 PolarHBondContact O-N 3.42Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 2.77Å; K294-R298 PolarHBondContact O-N 3.05Å; K294-R298 VanDerWaalsContact O-N 3.1Å; K294-L402 HydrophobicContact CB-CD1 3.78Å; K294-L402 HydrophobicContact CG-CD1 4.02Å; K294-L402 WeakPolarHBondContact O-CD1 3.32Å
295	R	97.2	Very high	97.3	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-66.9	-44.7	178.1	-58.1	-59.1	161.3	-171.1	-12.3	111.4	L172 P237 M238 H241 D243 N245 F246 H291 I292 H297 R298 A299	L172-R295 HydrophobicContact CD1-CB 3.91Å; P237-R295 PolarHBondContact O-NH2 3.47Å; M238-R295 PolarHBondContact O-NH2 2.66Å; H241-R295 PolarHBondContact O-NH1 3.21Å; D243-R295 PolarHBondContact O-NH1 3.45Å; D243-R295 IonicContact OD1-NH1 2.7Å; D243-R295 PolarHBondContact OD1-NH1 2.85Å; N245-R295 WeakPolarHBondContact O-CD 3.42Å; N245-R295 PolarHBondContact O-NE 3.12Å; F246-R295 HydrophobicContact CD1-CB 4.11Å; F246-R295 HydrophobicContact CD1-CG 3.78Å; F246-R295 HydrophobicContact CE1-CB 3.5Å; F246-R295 VanDerWaalsContact CE1-CB 3.5Å; F246-R295 HydrophobicContact CE1-CG 3.71Å; F246-R295 HydrophobicContact CZ-CB 3.86Å; F246-R295 HydrophobicContact CZ-CG 4.42Å; H291-R295 PolarHBondContact CE1-NE 3.27Å; H291-R295 VanDerWaalsContact CE1-NE 3.29Å; H291-R295 WeakPolarHBondContact O-CG 3.44Å; H291-R295 PolarHBondContact O-N 3.43Å; H291-R295 VanDerWaalsContact O-N 3.17Å; I292-R295 PolarHBondContact O-N 3.49Å; R295-H297 PolarHBondContact O-N 2.93Å; R295-R298 VanDerWaalsContact NH1-NH1 3.11Å; R295-R298 PolarHBondContact O-N 2.97Å; R295-A299 PolarHBondContact O-N 2.96Å
296	T	98	Very high	97.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-43.8	176.7	-56.3	0	0	0	0	111.7	L172 I292 R298 A299 I300 L316 L332	L172-T296 HydrophobicContact CD2-CG2 4.33Å; I292-T296 WeakPolarHBondContact O-CB 3.35Å; I292-T296 PolarHBondContact O-N 3.38Å; I292-T296 PolarHBondContact O-OG1 3.4Å; T296-R298 VanDerWaalsContact C-N 3.29Å; T296-R298 PolarHBondContact O-N 3.2Å; T296-A299 PolarHBondContact O-N 3.12Å; T296-I300 HydrophobicContact CG2-CD1 4.11Å; T296-I300 VanDerWaalsContact O-CG1 3.31Å; T296-I300 WeakPolarHBondContact O-CG1 3.41Å; T296-I300 PolarHBondContact O-N 3.16Å; T296-L316 HydrophobicContact CG2-CD1 4.15Å; T296-L316 HydrophobicContact CG2-CD2 3.52Å; T296-L332 HydrophobicContact CG2-CD2 4.11Å
297	H	97.7	Very high	97.3	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.032	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-43	176	-170.9	-178.9	0	0	0	111.1	A293 R295 A299 I300 L301 V335 L402	A293-H297 WeakPolarHBondContact O-CB 3.44Å; A293-H297 PolarHBondContact O-N 3.49Å; R295-H297 PolarHBondContact O-N 2.93Å; H297-A299 PolarHBondContact O-N 3.45Å; H297-I300 PolarHBondContact O-N 2.71Å; H297-L301 WeakPolarHBondContact O-CG 3.49Å; H297-L301 PolarHBondContact O-N 3.02Å; H297-V335 HydrophobicContact CB-CG1 3.76Å; H297-L402 HydrophobicContact CB-CD2 4.01Å
298	R	97.8	Very high	97.3	Very high	14 Å²	14	30.7 Å²	30.7	5%	0.053	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-43.8	176.7	-170.3	173.5	-62.8	103.7	1.3	112.1	Y242 D243 K294 R295 T296 I300 L301 F302 I400 L402	Y242-R298 WeakPolarHBondContact O-CD 3.44Å; D243-R298 PolarHBondContact O-NH1 3.18Å; K294-R298 PolarHBondContact O-N 3.05Å; K294-R298 VanDerWaalsContact O-N 3.1Å; R295-R298 VanDerWaalsContact NH1-NH1 3.11Å; R295-R298 PolarHBondContact O-N 2.97Å; T296-R298 VanDerWaalsContact C-N 3.29Å; T296-R298 PolarHBondContact O-N 3.2Å; R298-I300 VanDerWaalsContact C-N 3.3Å; R298-I300 PolarHBondContact O-N 3.31Å; R298-L301 PolarHBondContact O-N 3.39Å; R298-F302 WeakPolarHBondContact O-CB 3.45Å; R298-F302 PolarHBondContact O-N 3.27Å; R298-I400 HydrophobicContact CG-CB 4.21Å; R298-I400 HydrophobicContact CG-CG2 4.38Å; R298-I400 PolarHBondContact NE-O 3.42Å; R298-L402 HydrophobicContact CB-CD2 3.88Å
299	A	98.4	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-42.6	176.6	0	0	0	0	0	111.7	L161 L172 L184 C244 R295 T296 H297 F302 C303	L161-A299 HydrophobicContact CD1-CB 4.32Å; L161-A299 HydrophobicContact CD2-CB 4.16Å; L172-A299 HydrophobicContact CD1-CB 4.01Å; L172-A299 HydrophobicContact CD2-CB 4.17Å; L172-A299 HydrophobicContact CG-CB 4.48Å; L184-A299 HydrophobicContact CD1-CB 3.87Å; C244-A299 PolarHBondContact SG-N 3.04Å; C244-A299 VanDerWaalsContact SG-N 3.38Å; R295-A299 PolarHBondContact O-N 2.96Å; T296-A299 PolarHBondContact O-N 3.12Å; H297-A299 PolarHBondContact O-N 3.45Å; A299-F302 PolarHBondContact O-N 3.38Å; A299-C303 PolarHBondContact O-N 3.39Å; A299-C303 PolarHBondContact O-SG 3.44Å
300	I	98.4	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-49	176	-66	166.5	0	0	0	110.9	L161 T296 H297 R298 F302 C303 K304 V335 T339 L341	L161-I300 HydrophobicContact CD2-CB 4.44Å; L161-I300 HydrophobicContact CD2-CD1 4.47Å; L161-I300 HydrophobicContact CD2-CG1 3.43Å; L161-I300 VanDerWaalsContact CD2-CG1 3.43Å; T296-I300 HydrophobicContact CG2-CD1 4.11Å; T296-I300 VanDerWaalsContact O-CG1 3.31Å; T296-I300 WeakPolarHBondContact O-CG1 3.41Å; T296-I300 PolarHBondContact O-N 3.16Å; H297-I300 PolarHBondContact O-N 2.71Å; R298-I300 VanDerWaalsContact C-N 3.3Å; R298-I300 PolarHBondContact O-N 3.31Å; I300-F302 VanDerWaalsContact C-N 3.32Å; I300-F302 PolarHBondContact O-N 3.08Å; I300-C303 PolarHBondContact O-N 2.86Å; I300-K304 HydrophobicContact CG2-CD 4.35Å; I300-K304 WeakPolarHBondContact O-CG 3.49Å; I300-K304 PolarHBondContact O-N 2.73Å; I300-V335 HydrophobicContact CD1-CG1 3.84Å; I300-T339 HydrophobicContact CG2-CG2 4Å; I300-L341 HydrophobicContact CD1-CD2 3.91Å; I300-L341 HydrophobicContact CG1-CD2 3.75Å; I300-L341 HydrophobicContact CG2-CD1 3.59Å; I300-L341 HydrophobicContact CG2-CD2 4Å; I300-L341 HydrophobicContact CG2-CG 4.45Å
301	L	97.9	Very high	96.9	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-38.5	179.5	-66.2	-179	0	0	0	112	H297 R298 K304 A305 I400 L402	H297-L301 WeakPolarHBondContact O-CG 3.49Å; H297-L301 PolarHBondContact O-N 3.02Å; R298-L301 PolarHBondContact O-N 3.39Å; L301-K304 PolarHBondContact O-N 2.76Å; L301-A305 WeakPolarHBondContact O-CB 3.01Å; L301-A305 PolarHBondContact O-N 3.19Å; L301-I400 HydrophobicContact CB-CD1 4.45Å; L301-I400 HydrophobicContact CB-CG2 3.84Å; L301-I400 HydrophobicContact CD1-CG2 3.93Å; L301-L402 HydrophobicContact CD1-CD2 4.1Å
302	F	98.5	Very high	96.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-51.8	174	176.5	-98.4	0	0	0	111.5	L184 R298 A299 I300 K304 A305 K306 L308 I391 E394 V395 A398 I400	L184-F302 HydrophobicContact CD2-CD1 4.17Å; L184-F302 HydrophobicContact CD2-CE1 4.05Å; R298-F302 WeakPolarHBondContact O-CB 3.45Å; R298-F302 PolarHBondContact O-N 3.27Å; A299-F302 PolarHBondContact O-N 3.38Å; I300-F302 VanDerWaalsContact C-N 3.32Å; I300-F302 PolarHBondContact O-N 3.08Å; F302-K304 VanDerWaalsContact C-N 3.28Å; F302-K304 PolarHBondContact O-N 2.79Å; F302-A305 PolarHBondContact O-N 3.11Å; F302-K306 HydrophobicContact CD2-CG 4.42Å; F302-K306 HydrophobicContact CE1-CG 4.35Å; F302-K306 HydrophobicContact CE2-CG 4.04Å; F302-K306 HydrophobicContact CZ-CG 4.01Å; F302-K306 WeakPolarHBondContact O-CG 3.42Å; F302-K306 PolarHBondContact O-N 2.91Å; F302-L308 HydrophobicContact CE1-CD1 4.08Å; F302-I391 HydrophobicContact CE1-CD1 4.1Å; F302-I391 HydrophobicContact CZ-CD1 4.5Å; F302-E394 HydrophobicContact CZ-CB 4.23Å; F302-V395 HydrophobicContact CD1-CG2 3.89Å; F302-V395 HydrophobicContact CD2-CB 4.36Å; F302-V395 HydrophobicContact CD2-CG1 4.48Å; F302-V395 HydrophobicContact CD2-CG2 4.16Å; F302-V395 HydrophobicContact CE1-CG2 3.8Å; F302-V395 HydrophobicContact CE2-CB 4.39Å; F302-V395 HydrophobicContact CE2-CG2 4.07Å; F302-V395 HydrophobicContact CG-CG1 4.49Å; F302-V395 HydrophobicContact CG-CG2 4.06Å; F302-V395 HydrophobicContact CZ-CG2 3.89Å; F302-A398 HydrophobicContact CD2-CB 3.83Å; F302-A398 HydrophobicContact CE2-CB 3.99Å; F302-I400 HydrophobicContact CB-CD1 3.68Å; F302-I400 HydrophobicContact CD2-CD1 4.14Å; F302-I400 HydrophobicContact CG-CD1 4.42Å
303	C	98.3	Very high	96.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-36.9	180	-66.9	0	0	0	0	112.1	A299 I300 K306 D307 L308 L309	A299-C303 PolarHBondContact O-N 3.39Å; A299-C303 PolarHBondContact O-SG 3.44Å; I300-C303 PolarHBondContact O-N 2.86Å; C303-K306 PolarHBondContact O-N 3.4Å; C303-D307 PolarHBondContact O-N 3.37Å; C303-D307 VanDerWaalsContact O-N 3.13Å; C303-L308 HydrophobicContact CB-CB 4.12Å; C303-L308 PolarHBondContact O-N 2.9Å; C303-L309 HydrophobicContact CB-CD1 3.67Å; C303-L309 HydrophobicContact CB-CG 3.78Å
304	K	96.9	Very high	96.4	Very high	99 Å²	99	49.3 Å²	49.3	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-44.7	173.8	-75	-172.9	172.3	-149.3	0	112.8	I300 L301 F302 K306 D307 T339	I300-K304 HydrophobicContact CG2-CD 4.35Å; I300-K304 WeakPolarHBondContact O-CG 3.49Å; I300-K304 PolarHBondContact O-N 2.73Å; L301-K304 PolarHBondContact O-N 2.76Å; F302-K304 VanDerWaalsContact C-N 3.28Å; F302-K304 PolarHBondContact O-N 2.79Å; K304-K306 PolarHBondContact O-N 2.7Å; K304-D307 PolarHBondContact O-N 2.9Å; K304-T339 VanDerWaalsContact CE-O 3.24Å; K304-T339 WeakPolarHBondContact CE-O 3.35Å; K304-T339 PolarHBondContact NZ-O 3.01Å
305	A	97.3	Very high	96.5	Very high	82 Å²	82	45.8 Å²	45.8	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-64.3	-25.6	179.5	0	0	0	0	0	112.8	L301 F302	L301-A305 WeakPolarHBondContact O-CB 3.01Å; L301-A305 PolarHBondContact O-N 3.19Å; F302-A305 PolarHBondContact O-N 3.11Å
306	K	97.4	Very high	96.6	Very high	119 Å²	119	45.7 Å²	45.7	52%	0.517	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	5.3	178.4	-65.9	-68.7	-172.2	171.5	0	113.8	F302 C303 K304 L308	F302-K306 HydrophobicContact CD2-CG 4.42Å; F302-K306 HydrophobicContact CE1-CG 4.35Å; F302-K306 HydrophobicContact CE2-CG 4.04Å; F302-K306 HydrophobicContact CZ-CG 4.01Å; F302-K306 WeakPolarHBondContact O-CG 3.42Å; F302-K306 PolarHBondContact O-N 2.91Å; C303-K306 PolarHBondContact O-N 3.4Å; K304-K306 PolarHBondContact O-N 2.7Å; K306-L308 HydrophobicContact CB-CD1 3.76Å; K306-L308 HydrophobicContact CB-CD2 4.46Å; K306-L308 HydrophobicContact CB-CG 3.63Å; K306-L308 PolarHBondContact O-N 3.27Å
307	D	96.8	Very high	96.6	Very high	131 Å²	131	45.7 Å²	45.7	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40	-176.5	-158.5	35	0	0	0	113.7	C303 K304	C303-D307 PolarHBondContact O-N 3.37Å; C303-D307 VanDerWaalsContact O-N 3.13Å; K304-D307 PolarHBondContact O-N 2.9Å
308	L	97.3	Very high	96.5	Very high	49 Å²	49	45.4 Å²	45.4	26%	0.257	26%	0.262	S	S	.	.			trans	-91.8	-3.2	-176.5	-64.4	177.2	0	0	0	113.7	P159 L174 F302 C303 K306	P159-L308 WeakPolarHBondContact CG-O 3.42Å; L174-L308 HydrophobicContact CD2-CB 3.83Å; L174-L308 HydrophobicContact CD2-CD1 4.31Å; L174-L308 HydrophobicContact CD2-CG 4.47Å; F302-L308 HydrophobicContact CE1-CD1 4.08Å; C303-L308 HydrophobicContact CB-CB 4.12Å; C303-L308 PolarHBondContact O-N 2.9Å; K306-L308 HydrophobicContact CB-CD1 3.76Å; K306-L308 HydrophobicContact CB-CD2 4.46Å; K306-L308 HydrophobicContact CB-CG 3.63Å; K306-L308 PolarHBondContact O-N 3.27Å
309	L	96.5	Very high	96.4	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.068	26%	0.259	C	S	.	.	S	Bend	trans	-115.6	150.7	-179.7	-72.8	168.7	0	0	0	110.4	L161 L174 C303 P314 L341	L161-L309 HydrophobicContact CB-CD2 4.36Å; L174-L309 HydrophobicContact CD1-CD2 3.81Å; C303-L309 HydrophobicContact CB-CD1 3.67Å; C303-L309 HydrophobicContact CB-CG 3.78Å; L309-P314 HydrophobicContact CB-CB 4.17Å; L309-L341 HydrophobicContact CD1-CD2 4.35Å
310	P	94.4	Very high	96.1	Very high	37 Å²	37	44.9 Å²	44.9	24%	0.24	26%	0.261	C	S	.	.			trans	-59.1	141.1	177	-21.9	32.9	0	0	0	111.9	P159 C312	P159-P310 HydrophobicContact CG-CG 4.45Å; P159-P310 WeakPolarHBondContact O-CD 3.49Å; P159-P310 VanDerWaalsContact O-CG 3.27Å; P159-P310 WeakPolarHBondContact O-CG 3.21Å; P310-C312 PolarHBondContact O-N 2.65Å
311	S	90.4	Very high	95.6	Very high	118 Å²	118	46.3 Å²	46.3	83%	0.825	28%	0.276	S	S	*	.	S	Bend	trans	-65.3	-26.6	176.3	-38.8	0	0	0	0	112.5
312	C	91.1	Very high	95.4	Very high	104 Å²	104	44.8 Å²	44.8	70%	0.703	27%	0.268	S	S	*	.	S	Bend	trans	-112.2	130.1	177.4	-66.8	0	0	0	0	110.5	P310	P310-C312 PolarHBondContact O-N 2.65Å
313	N	91.4	Very high	95.2	Very high	111 Å²	111	44.8 Å²	44.8	59%	0.594	27%	0.268	S	S	*	.	S	Bend	trans	52.8	49.1	178.1	-61.1	-36	0	0	0	115.3	T315 H342	N313-T315 PolarHBondContact O-N 2.97Å; N313-T315 PolarHBondContact O-OG1 3.02Å; N313-H342 PolarHBondContact OD1-NE2 3.38Å
314	P	96.9	Very high	94.9	Very high	18 Å²	18	46.1 Å²	46.1	12%	0.117	28%	0.278	C	S	.	.			trans	-59	135.1	174.5	29.7	-36	0	0	0	109.3	L309 G340 L341 H342	L309-P314 HydrophobicContact CB-CB 4.17Å; P314-G340 WeakPolarHBondContact CG-O 3.49Å; P314-L341 HydrophobicContact CB-CD1 4.21Å; P314-L341 HydrophobicContact CB-CG 4Å; P314-L341 HydrophobicContact CG-CD1 4.11Å; P314-L341 HydrophobicContact CG-CG 4.16Å; P314-L341 CarbonylContact O-C 3.44Å; P314-L341 VanDerWaalsContact O-CA 3.25Å; P314-L341 WeakPolarHBondContact O-CA 3.31Å; P314-H342 PolarHBondContact O-N 2.94Å
315	T	98.1	Very high	94.8	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.086	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.5	-166.3	-64.5	0	0	0	0	110.8	V156 L161 N313 V317 H342 L344	V156-T315 HydrophobicContact CG1-CG2 4.12Å; L161-T315 PolarHBondContact N-O 3.42Å; N313-T315 PolarHBondContact O-N 2.97Å; N313-T315 PolarHBondContact O-OG1 3.02Å; T315-V317 HydrophobicContact CG2-CG2 4.03Å; T315-H342 WeakPolarHBondContact CA-O 3.34Å; T315-L344 HydrophobicContact CG2-CB 4.4Å; T315-L344 HydrophobicContact CG2-CD1 3.55Å; T315-L344 HydrophobicContact CG2-CG 3.81Å
316	L	98.5	Very high	94.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.8	164.1	172.1	65.5	0	0	0	108.7	L161 L163 T296 V318 T336 L341 H342 L343 L344	L161-L316 HydrophobicContact CB-CD1 4.15Å; L161-L316 HydrophobicContact CD2-CD1 3.94Å; L161-L316 HydrophobicContact CG-CD1 3.88Å; L161-L316 CarbonylContact O-C 3.58Å; L161-L316 WeakPolarHBondContact O-CA 3.45Å; L163-L316 HydrophobicContact CB-CD1 4.17Å; T296-L316 HydrophobicContact CG2-CD1 4.15Å; T296-L316 HydrophobicContact CG2-CD2 3.52Å; L316-V318 HydrophobicContact CD1-CG2 4.33Å; L316-V318 HydrophobicContact CD2-CG2 3.96Å; L316-V318 HydrophobicContact CG-CG2 3.81Å; L316-T336 HydrophobicContact CB-CG2 3.9Å; L316-T336 HydrophobicContact CD2-CG2 3.63Å; L316-T336 HydrophobicContact CG-CG2 4.38Å; L316-L341 HydrophobicContact CB-CD2 4.1Å; L316-H342 PolarHBondContact N-O 3.23Å; L316-L343 HydrophobicContact CD2-CD1 4.02Å; L316-L343 HydrophobicContact CG-CD1 4.23Å; L316-L344 PolarHBondContact O-N 3.28Å
317	V	98.1	Very high	94.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.4	171.3	179.3	0	0	0	0	109.1	V150 F160 L161 V162 L163 T315 L344	V150-V317 HydrophobicContact CB-CG1 3.94Å; V150-V317 HydrophobicContact CG1-CB 4.28Å; V150-V317 HydrophobicContact CG1-CG1 3.57Å; V150-V317 HydrophobicContact CG1-CG2 3.67Å; F160-V317 HydrophobicContact CD2-CB 4.07Å; F160-V317 HydrophobicContact CD2-CG2 3.42Å; F160-V317 VanDerWaalsContact CD2-CG2 3.42Å; F160-V317 HydrophobicContact CE2-CB 4.14Å; F160-V317 HydrophobicContact CE2-CG2 3.66Å; F160-V317 HydrophobicContact CG-CG2 4.26Å; L161-V317 PolarHBondContact O-N 3.04Å; V162-V317 CarbonylContact C-O 3.55Å; V162-V317 WeakPolarHBondContact CA-O 3.09Å; V162-V317 HydrophobicContact CG2-CB 4.46Å; L163-V317 PolarHBondContact N-O 2.68Å; T315-V317 HydrophobicContact CG2-CG2 4.03Å; V317-L344 CarbonylContact C-O 3.14Å; V317-L344 VanDerWaalsContact CA-O 3.31Å; V317-L344 WeakPolarHBondContact CA-O 3.18Å
318	V	97.3	Very high	94.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119	177.9	-168	0	0	0	0	109.9	L163 V165 L316 A323 L332 L343 L344 C345 P346	L163-V318 HydrophobicContact CB-CG1 4.24Å; L163-V318 HydrophobicContact CB-CG2 4.25Å; L163-V318 HydrophobicContact CD2-CG1 3.84Å; L163-V318 HydrophobicContact CD2-CG2 4.35Å; L163-V318 HydrophobicContact CG-CG1 4.13Å; L163-V318 WeakPolarHBondContact O-CA 3.32Å; V165-V318 HydrophobicContact CG2-CG1 4.14Å; L316-V318 HydrophobicContact CD1-CG2 4.33Å; L316-V318 HydrophobicContact CD2-CG2 3.96Å; L316-V318 HydrophobicContact CG-CG2 3.81Å; V318-A323 HydrophobicContact CG1-CB 3.75Å; V318-L332 HydrophobicContact CG1-CD1 3.99Å; V318-L332 HydrophobicContact CG2-CD1 4.04Å; V318-L343 HydrophobicContact CB-CD1 4.46Å; V318-L343 HydrophobicContact CG2-CD1 3.45Å; V318-L343 VanDerWaalsContact CG2-CD1 3.45Å; V318-L344 PolarHBondContact N-O 2.85Å; V318-C345 WeakPolarHBondContact O-CA 3.29Å; V318-P346 WeakPolarHBondContact O-CD 3.47Å
319	S	94.7	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	173.5	-177.9	-162.4	0	0	0	0	111.8	H146 L163 L164 V165	H146-S319 WeakPolarHBondContact O-CB 3.38Å; H146-S319 PolarHBondContact O-OG 2.96Å; L163-S319 PolarHBondContact O-N 3.08Å; L164-S319 WeakPolarHBondContact CA-O 3.27Å; V165-S319 PolarHBondContact N-O 3.33Å
320	G	91.1	Very high	94.6	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.031	20%	0.203	C	C	.	.	S	Bend	trans	97.1	161.2	-172.7	0	0	0	0	0	113.5	V165 V322 A323 C351	V165-G320 CarbonylContact O-C 3.52Å; V165-G320 VanDerWaalsContact O-CA 3.24Å; V165-G320 WeakPolarHBondContact O-CA 3.41Å; G320-V322 VanDerWaalsContact C-N 3.3Å; G320-V322 PolarHBondContact O-N 3.09Å; G320-A323 WeakPolarHBondContact O-CA 3.37Å; G320-A323 WeakPolarHBondContact O-CB 3.49Å; G320-A323 PolarHBondContact O-N 3.14Å; G320-C351 CarbonylContact C-O 3.57Å; G320-C351 WeakPolarHBondContact CA-O 3.5Å; G320-C351 PolarHBondContact N-O 3.49Å; G320-C351 WeakPolarHBondContact O-CB 3.35Å
321	G	89.6	Confident	94.7	Very high	31 Å²	31	32.7 Å²	32.7	32%	0.32	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-54.5	-39.8	-173.7	0	0	0	0	0	114.8	V165 A323 S324 C351	V165-G321 PolarHBondContact O-N 3.22Å; G321-A323 PolarHBondContact O-N 2.84Å; G321-S324 VanDerWaalsContact O-CB 3.28Å; G321-S324 WeakPolarHBondContact O-CB 3.42Å; G321-S324 PolarHBondContact O-N 3.37Å; G321-S324 PolarHBondContact O-OG 3.49Å; G321-C351 PolarHBondContact N-O 2.92Å
322	V	93.8	Very high	95	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.055	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-69.4	-25.1	178.3	175.3	0	0	0	0	111.4	V165 P192 G193 M196 G320 S324 N325 I328	V165-V322 HydrophobicContact CB-CB 4.01Å; V165-V322 HydrophobicContact CB-CG1 4.26Å; V165-V322 HydrophobicContact CG2-CB 4.11Å; V165-V322 HydrophobicContact CG2-CG1 4.28Å; V165-V322 WeakPolarHBondContact O-CB 3.41Å; V165-V322 PolarHBondContact O-N 2.94Å; P192-V322 HydrophobicContact CB-CG1 4.4Å; P192-V322 HydrophobicContact CG-CG1 4.35Å; P192-V322 HydrophobicContact CG-CG2 4.27Å; G193-V322 VanDerWaalsContact CA-CG2 3.46Å; M196-V322 HydrophobicContact CE-CB 4.41Å; M196-V322 HydrophobicContact CE-CG1 3.81Å; M196-V322 HydrophobicContact CE-CG2 3.83Å; G320-V322 VanDerWaalsContact C-N 3.3Å; G320-V322 PolarHBondContact O-N 3.09Å; V322-S324 PolarHBondContact O-N 2.86Å; V322-S324 VanDerWaalsContact O-N 3.12Å; V322-N325 VanDerWaalsContact O-CB 3.24Å; V322-N325 WeakPolarHBondContact O-CB 3.34Å; V322-N325 PolarHBondContact O-N 3.16Å; V322-N325 VanDerWaalsContact O-N 3.09Å; V322-I328 HydrophobicContact CG1-CD1 3.5Å
323	A	92.6	Very high	95.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-63.6	-14.3	172.5	0	0	0	0	0	112.4	V165 V318 G320 G321 N325 R329	V165-A323 HydrophobicContact CG2-CB 4.11Å; V318-A323 HydrophobicContact CG1-CB 3.75Å; G320-A323 WeakPolarHBondContact O-CA 3.37Å; G320-A323 WeakPolarHBondContact O-CB 3.49Å; G320-A323 PolarHBondContact O-N 3.14Å; G321-A323 PolarHBondContact O-N 2.84Å; A323-N325 PolarHBondContact O-N 3.39Å; A323-R329 WeakPolarHBondContact O-CG 3.35Å; A323-R329 VanDerWaalsContact O-CZ 3.27Å; A323-R329 PolarHBondContact O-NE 3.17Å; A323-R329 PolarHBondContact O-NH2 2.89Å
324	S	92	Very high	95.6	Very high	28 Å²	28	23 Å²	23	20%	0.196	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-75.5	-13.4	174.9	-58.1	0	0	0	0	113.5	G321 V322 Q326 S348	G321-S324 VanDerWaalsContact O-CB 3.28Å; G321-S324 WeakPolarHBondContact O-CB 3.42Å; G321-S324 PolarHBondContact O-N 3.37Å; G321-S324 PolarHBondContact O-OG 3.49Å; V322-S324 PolarHBondContact O-N 2.86Å; V322-S324 VanDerWaalsContact O-N 3.12Å; S324-Q326 PolarHBondContact O-N 3.17Å; S324-Q326 PolarHBondContact O-NE2 3.1Å; S324-Q326 VanDerWaalsContact O-NE2 3.09Å; S324-S348 WeakPolarHBondContact OG-CB 2.92Å
325	N	95	Very high	95.7	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.037	11%	0.113	C	C	.	.			trans	-71	118.5	179.2	-177.8	-79	0	0	0	111.2	E221 Q285 V322 A323 Y327 I328 R329	E221-N325 WeakPolarHBondContact CB-ND2 3.42Å; E221-N325 WeakPolarHBondContact CG-ND2 3.24Å; E221-N325 WeakPolarHBondContact OE2-CA 3.41Å; E221-N325 PolarHBondContact OE2-ND2 3.43Å; Q285-N325 PolarHBondContact NE2-ND2 3.28Å; V322-N325 VanDerWaalsContact O-CB 3.24Å; V322-N325 WeakPolarHBondContact O-CB 3.34Å; V322-N325 PolarHBondContact O-N 3.16Å; V322-N325 VanDerWaalsContact O-N 3.09Å; A323-N325 PolarHBondContact O-N 3.39Å; N325-Y327 PolarHBondContact O-N 2.87Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.26Å; N325-Y327 PolarHBondContact OD1-N 3.42Å; N325-Y327 VanDerWaalsContact OD1-N 3.17Å; N325-I328 HydrophobicContact CB-CB 4.15Å; N325-I328 HydrophobicContact CB-CD1 3.94Å; N325-I328 HydrophobicContact CB-CG1 4.2Å; N325-I328 PolarHBondContact O-N 3.03Å; N325-I328 WeakPolarHBondContact OD1-CG1 3.39Å; N325-I328 PolarHBondContact OD1-N 2.92Å; N325-R329 WeakPolarHBondContact O-CG 3.08Å; N325-R329 PolarHBondContact O-N 3.3Å
326	Q	95.1	Very high	95.6	Very high	85 Å²	85	21.4 Å²	21.4	40%	0.397	11%	0.109	S	C	.	.	H	α-helix	trans	-69	-35.2	-173.7	-60.8	-55.5	-46.5	0	0	112	E221 S324 R329 K330	E221-Q326 WeakPolarHBondContact OE1-CB 3.24Å; E221-Q326 PolarHBondContact OE1-N 2.95Å; S324-Q326 PolarHBondContact O-N 3.17Å; S324-Q326 PolarHBondContact O-NE2 3.1Å; S324-Q326 VanDerWaalsContact O-NE2 3.09Å; Q326-R329 PolarHBondContact O-N 2.88Å; Q326-K330 WeakPolarHBondContact O-CG 3.05Å; Q326-K330 PolarHBondContact O-N 3.18Å
327	Y	96.4	Very high	95.6	Very high	33 Å²	33	25.9 Å²	25.9	13%	0.129	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-45.6	176.2	-173.7	-89.5	0	0	0	111.8	R229 Q285 H286 A289 N325 R329 K330 I331 V409	R229-Y327 PolarHBondContact NH1-OH 2.58Å; Q285-Y327 HydrophobicContact CG-CD1 3.76Å; Q285-Y327 HydrophobicContact CG-CE1 4.45Å; Q285-Y327 HydrophobicContact CG-CG 4.16Å; H286-Y327 HydrophobicContact CB-CE1 4.36Å; H286-Y327 AromaticContact ND1-CE1 3.99Å; H286-Y327 AromaticContact ND1-CZ 3.8Å; H286-Y327 PolarHBondContact ND1-OH 3.13Å; A289-Y327 HydrophobicContact CB-CD1 3.92Å; A289-Y327 HydrophobicContact CB-CE1 3.86Å; N325-Y327 PolarHBondContact O-N 2.87Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.26Å; N325-Y327 PolarHBondContact OD1-N 3.42Å; N325-Y327 VanDerWaalsContact OD1-N 3.17Å; Y327-R329 PolarHBondContact O-N 3.43Å; Y327-K330 PolarHBondContact O-N 3.2Å; Y327-I331 HydrophobicContact CD1-CG1 4.1Å; Y327-I331 HydrophobicContact CE1-CD1 4.26Å; Y327-I331 HydrophobicContact CE1-CG1 3.71Å; Y327-I331 WeakPolarHBondContact O-CG1 3.46Å; Y327-I331 PolarHBondContact O-N 3.37Å; Y327-V409 HydrophobicContact CD2-CB 4.47Å; Y327-V409 HydrophobicContact CD2-CG1 4.35Å; Y327-V409 HydrophobicContact CD2-CG2 4.18Å; Y327-V409 HydrophobicContact CE1-CG2 4.45Å; Y327-V409 HydrophobicContact CE2-CB 3.9Å; Y327-V409 HydrophobicContact CE2-CG1 4.25Å; Y327-V409 HydrophobicContact CE2-CG2 3.63Å
328	I	96.4	Very high	95.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-42.8	175.2	-68.7	171.8	0	0	0	110.5	V288 A289 I292 V322 N325 I331 L332	V288-I328 HydrophobicContact CG1-CD1 4.35Å; A289-I328 HydrophobicContact CB-CG1 3.8Å; I292-I328 HydrophobicContact CD1-CD1 4.35Å; V322-I328 HydrophobicContact CG1-CD1 3.5Å; N325-I328 HydrophobicContact CB-CB 4.15Å; N325-I328 HydrophobicContact CB-CD1 3.94Å; N325-I328 HydrophobicContact CB-CG1 4.2Å; N325-I328 PolarHBondContact O-N 3.03Å; N325-I328 WeakPolarHBondContact OD1-CG1 3.39Å; N325-I328 PolarHBondContact OD1-N 2.92Å; I328-I331 PolarHBondContact O-N 3.3Å; I328-L332 HydrophobicContact CG2-CD1 3.87Å; I328-L332 HydrophobicContact CG2-CG 4.41Å; I328-L332 WeakPolarHBondContact O-CG 3.32Å; I328-L332 PolarHBondContact O-N 3.03Å
329	R	96.1	Very high	95.4	Very high	43 Å²	43	30.5 Å²	30.5	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-48.1	174	-71.5	-177	-175.5	-138	-9.8	111.9	A323 N325 Q326 Y327 I331 L332 K333 C345 P346	A323-R329 WeakPolarHBondContact O-CG 3.35Å; A323-R329 VanDerWaalsContact O-CZ 3.27Å; A323-R329 PolarHBondContact O-NE 3.17Å; A323-R329 PolarHBondContact O-NH2 2.89Å; N325-R329 WeakPolarHBondContact O-CG 3.08Å; N325-R329 PolarHBondContact O-N 3.3Å; Q326-R329 PolarHBondContact O-N 2.88Å; Y327-R329 PolarHBondContact O-N 3.43Å; R329-I331 VanDerWaalsContact C-N 3.31Å; R329-I331 PolarHBondContact O-N 3.3Å; R329-L332 PolarHBondContact O-N 3.21Å; R329-K333 WeakPolarHBondContact O-CB 3.42Å; R329-K333 PolarHBondContact O-N 3.28Å; R329-C345 VanDerWaalsContact CZ-CB 3.4Å; R329-C345 VanDerWaalsContact NH1-CB 3.32Å; R329-P346 PolarHBondContact NH2-O 2.73Å
330	K	96.6	Very high	95.5	Very high	80 Å²	80	33 Å²	33	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-42.1	177.6	-73	-174.3	179.1	-169.7	0	111.3	Q326 Y327 K333 I334 V409 T410 D411	Q326-K330 WeakPolarHBondContact O-CG 3.05Å; Q326-K330 PolarHBondContact O-N 3.18Å; Y327-K330 PolarHBondContact O-N 3.2Å; K330-K333 WeakPolarHBondContact O-CB 3.24Å; K330-K333 PolarHBondContact O-N 2.84Å; K330-I334 PolarHBondContact O-N 2.94Å; K330-V409 HydrophobicContact CB-CG1 3.9Å; K330-V409 HydrophobicContact CB-CG2 4.35Å; K330-V409 HydrophobicContact CD-CG1 3.38Å; K330-V409 HydrophobicContact CG-CG1 4.28Å; K330-T410 PolarHBondContact NZ-O 2.86Å; K330-D411 PolarHBondContact NZ-OXT 3.35Å
331	I	97.1	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-44.5	176.1	-73.6	-70.8	0	0	0	112.2	A289 A293 Y327 I328 R329 K333 I334 V335 L407 V409	A289-I331 HydrophobicContact CB-CB 4.29Å; A289-I331 HydrophobicContact CB-CG1 4.04Å; A289-I331 HydrophobicContact CB-CG2 4.2Å; A293-I331 HydrophobicContact CB-CG2 3.59Å; Y327-I331 HydrophobicContact CD1-CG1 4.1Å; Y327-I331 HydrophobicContact CE1-CD1 4.26Å; Y327-I331 HydrophobicContact CE1-CG1 3.71Å; Y327-I331 WeakPolarHBondContact O-CG1 3.46Å; Y327-I331 PolarHBondContact O-N 3.37Å; I328-I331 PolarHBondContact O-N 3.3Å; R329-I331 VanDerWaalsContact C-N 3.31Å; R329-I331 PolarHBondContact O-N 3.3Å; I331-K333 VanDerWaalsContact C-N 3.27Å; I331-K333 PolarHBondContact O-N 3.1Å; I331-I334 HydrophobicContact CD1-CD1 4.44Å; I331-I334 WeakPolarHBondContact O-CB 3.38Å; I331-I334 PolarHBondContact O-N 2.97Å; I331-V335 PolarHBondContact O-N 3.2Å; I331-L407 HydrophobicContact CD1-CB 3.86Å; I331-L407 HydrophobicContact CD1-CD2 4.31Å; I331-L407 HydrophobicContact CD1-CG 4.49Å; I331-L407 HydrophobicContact CG2-CD2 4.2Å; I331-V409 HydrophobicContact CD1-CG2 3.35Å; I331-V409 HydrophobicContact CG1-CG2 3.61Å
332	L	97.8	Very high	96.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-28.8	177	-72	171.3	0	0	0	112.2	L163 I292 T296 V318 I328 R329 I334 V335 T336 L343	L163-L332 HydrophobicContact CD2-CD1 3.74Å; L163-L332 HydrophobicContact CD2-CD2 4.2Å; I292-L332 HydrophobicContact CG2-CD2 4.2Å; T296-L332 HydrophobicContact CG2-CD2 4.11Å; V318-L332 HydrophobicContact CG1-CD1 3.99Å; V318-L332 HydrophobicContact CG2-CD1 4.04Å; I328-L332 HydrophobicContact CG2-CD1 3.87Å; I328-L332 HydrophobicContact CG2-CG 4.41Å; I328-L332 WeakPolarHBondContact O-CG 3.32Å; I328-L332 PolarHBondContact O-N 3.03Å; R329-L332 PolarHBondContact O-N 3.21Å; L332-I334 VanDerWaalsContact C-N 3.33Å; L332-V335 PolarHBondContact O-N 3.46Å; L332-T336 PolarHBondContact O-N 3.02Å; L332-T336 PolarHBondContact O-OG1 3.45Å; L332-L343 HydrophobicContact CB-CD1 4.38Å; L332-L343 HydrophobicContact CB-CD2 4.21Å
333	K	97.7	Very high	96.3	Very high	91 Å²	91	37.3 Å²	37.3	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-61.8	-41.8	172.3	-172	58.1	164.8	74.6	0	111.3	R329 K330 I331 V335 T336 D337 L343	R329-K333 WeakPolarHBondContact O-CB 3.42Å; R329-K333 PolarHBondContact O-N 3.28Å; K330-K333 WeakPolarHBondContact O-CB 3.24Å; K330-K333 PolarHBondContact O-N 2.84Å; I331-K333 VanDerWaalsContact C-N 3.27Å; I331-K333 PolarHBondContact O-N 3.1Å; K333-V335 VanDerWaalsContact C-N 3.32Å; K333-V335 PolarHBondContact O-N 3.16Å; K333-T336 VanDerWaalsContact CA-OG1 3.3Å; K333-T336 WeakPolarHBondContact CA-OG1 3.37Å; K333-T336 PolarHBondContact O-N 3.35Å; K333-T336 PolarHBondContact O-OG1 2.74Å; K333-D337 IonicContact NZ-OD1 3.67Å; K333-D337 PolarHBondContact NZ-OD1 2.79Å; K333-D337 IonicContact NZ-OD2 2.57Å; K333-D337 PolarHBondContact NZ-OD2 3.39Å; K333-D337 WeakPolarHBondContact O-CB 3.35Å; K333-D337 PolarHBondContact O-N 3.12Å; K333-L343 HydrophobicContact CB-CD2 4.01Å; K333-L343 HydrophobicContact CD-CB 4.25Å; K333-L343 HydrophobicContact CD-CD2 4.28Å
334	I	97.5	Very high	96.5	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.185	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-43.1	174.8	-62	165.9	0	0	0	111.2	K330 I331 L332 T338 L405 R408	K330-I334 PolarHBondContact O-N 2.94Å; I331-I334 HydrophobicContact CD1-CD1 4.44Å; I331-I334 WeakPolarHBondContact O-CB 3.38Å; I331-I334 PolarHBondContact O-N 2.97Å; L332-I334 VanDerWaalsContact C-N 3.33Å; I334-T338 WeakPolarHBondContact O-CB 3.4Å; I334-T338 PolarHBondContact O-N 3.15Å; I334-T338 PolarHBondContact O-OG1 3.09Å; I334-L405 HydrophobicContact CG2-CD1 4.08Å; I334-L405 HydrophobicContact CG2-CG 4.37Å; I334-R408 VanDerWaalsContact CD1-O 3.32Å; I334-R408 WeakPolarHBondContact CD1-O 3.47Å
335	V	97.6	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-48.4	178	178	0	0	0	0	110.8	A293 H297 I300 I331 L332 K333 T338 T339 L405	A293-V335 HydrophobicContact CB-CG2 3.77Å; H297-V335 HydrophobicContact CB-CG1 3.76Å; I300-V335 HydrophobicContact CD1-CG1 3.84Å; I331-V335 PolarHBondContact O-N 3.2Å; L332-V335 PolarHBondContact O-N 3.46Å; K333-V335 VanDerWaalsContact C-N 3.32Å; K333-V335 PolarHBondContact O-N 3.16Å; V335-T338 PolarHBondContact O-N 2.55Å; V335-T339 WeakPolarHBondContact O-CB 3.39Å; V335-T339 WeakPolarHBondContact O-CG2 3.29Å; V335-T339 PolarHBondContact O-N 3.26Å; V335-T339 PolarHBondContact O-OG1 3.26Å; V335-L405 HydrophobicContact CB-CD2 4.47Å; V335-L405 HydrophobicContact CG2-CD2 3.71Å
336	T	97.6	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.2	-40.6	-178.1	46.6	0	0	0	0	112	L316 L332 K333 T338 T339 G340 L341 L343	L316-T336 HydrophobicContact CB-CG2 3.9Å; L316-T336 HydrophobicContact CD2-CG2 3.63Å; L316-T336 HydrophobicContact CG-CG2 4.38Å; L332-T336 PolarHBondContact O-N 3.02Å; L332-T336 PolarHBondContact O-OG1 3.45Å; K333-T336 VanDerWaalsContact CA-OG1 3.3Å; K333-T336 WeakPolarHBondContact CA-OG1 3.37Å; K333-T336 PolarHBondContact O-N 3.35Å; K333-T336 PolarHBondContact O-OG1 2.74Å; T336-T338 PolarHBondContact O-N 3.23Å; T336-T339 CarbonylContact O-C 3.58Å; T336-T339 PolarHBondContact O-N 2.99Å; T336-T339 PolarHBondContact O-OG1 2.98Å; T336-G340 PolarHBondContact O-N 3.4Å; T336-L341 CarbonylContact C-O 3.58Å; T336-L341 WeakPolarHBondContact CB-O 3.36Å; T336-L341 HydrophobicContact CG2-CB 4.05Å; T336-L341 PolarHBondContact O-N 3.33Å; T336-L343 HydrophobicContact CG2-CB 4.07Å; T336-L343 HydrophobicContact CG2-CD1 4.33Å
337	D	96.7	Very high	96.4	Very high	93 Å²	93	37.2 Å²	37.2	50%	0.497	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-45.1	175	-72	-19.2	0	0	0	112.3	K333 T339 G340	K333-D337 IonicContact NZ-OD1 3.67Å; K333-D337 PolarHBondContact NZ-OD1 2.79Å; K333-D337 IonicContact NZ-OD2 2.57Å; K333-D337 PolarHBondContact NZ-OD2 3.39Å; K333-D337 WeakPolarHBondContact O-CB 3.35Å; K333-D337 PolarHBondContact O-N 3.12Å; D337-T339 PolarHBondContact O-N 3.48Å; D337-G340 PolarHBondContact O-N 3.35Å
338	T	95.9	Very high	95.9	Very high	89 Å²	89	38.2 Å²	38.2	55%	0.546	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-28.3	178.3	-54.3	0	0	0	0	111.9	I334 V335 T336 L405	I334-T338 WeakPolarHBondContact O-CB 3.4Å; I334-T338 PolarHBondContact O-N 3.15Å; I334-T338 PolarHBondContact O-OG1 3.09Å; V335-T338 PolarHBondContact O-N 2.55Å; T336-T338 PolarHBondContact O-N 3.23Å; T338-L405 HydrophobicContact CG2-CD1 3.94Å; T338-L405 WeakPolarHBondContact OG1-CD1 3.3Å
339	T	96.3	Very high	95.6	Very high	10 Å²	10	44.3 Å²	44.3	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-102	4.3	-178.9	57	0	0	0	0	113.1	I300 K304 V335 T336 D337 L341	I300-T339 HydrophobicContact CG2-CG2 4Å; K304-T339 VanDerWaalsContact CE-O 3.24Å; K304-T339 WeakPolarHBondContact CE-O 3.35Å; K304-T339 PolarHBondContact NZ-O 3.01Å; V335-T339 WeakPolarHBondContact O-CB 3.39Å; V335-T339 WeakPolarHBondContact O-CG2 3.29Å; V335-T339 PolarHBondContact O-N 3.26Å; V335-T339 PolarHBondContact O-OG1 3.26Å; T336-T339 CarbonylContact O-C 3.58Å; T336-T339 PolarHBondContact O-N 2.99Å; T336-T339 PolarHBondContact O-OG1 2.98Å; D337-T339 PolarHBondContact O-N 3.48Å; T339-L341 VanDerWaalsContact C-N 3.29Å; T339-L341 WeakPolarHBondContact O-CD1 3.32Å; T339-L341 PolarHBondContact O-N 3.23Å
340	G	96.3	Very high	95.4	Very high	52 Å²	52	42.8 Å²	42.8	54%	0.536	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	30.2	-179.8	0	0	0	0	0	114.6	P314 T336 D337	P314-G340 WeakPolarHBondContact CG-O 3.49Å; T336-G340 PolarHBondContact O-N 3.4Å; D337-G340 PolarHBondContact O-N 3.35Å
341	L	97.6	Very high	95	Very high	6 Å²	6	39 Å²	39	3%	0.031	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-98	152.3	171.3	-88.5	69.3	0	0	0	110.6	I300 L309 P314 L316 T336 T339	I300-L341 HydrophobicContact CD1-CD2 3.91Å; I300-L341 HydrophobicContact CG1-CD2 3.75Å; I300-L341 HydrophobicContact CG2-CD1 3.59Å; I300-L341 HydrophobicContact CG2-CD2 4Å; I300-L341 HydrophobicContact CG2-CG 4.45Å; L309-L341 HydrophobicContact CD1-CD2 4.35Å; P314-L341 HydrophobicContact CB-CD1 4.21Å; P314-L341 HydrophobicContact CB-CG 4Å; P314-L341 HydrophobicContact CG-CD1 4.11Å; P314-L341 HydrophobicContact CG-CG 4.16Å; P314-L341 CarbonylContact O-C 3.44Å; P314-L341 VanDerWaalsContact O-CA 3.25Å; P314-L341 WeakPolarHBondContact O-CA 3.31Å; L316-L341 HydrophobicContact CB-CD2 4.1Å; T336-L341 CarbonylContact C-O 3.58Å; T336-L341 WeakPolarHBondContact CB-O 3.36Å; T336-L341 HydrophobicContact CG2-CB 4.05Å; T336-L341 PolarHBondContact O-N 3.33Å; T339-L341 VanDerWaalsContact C-N 3.29Å; T339-L341 WeakPolarHBondContact O-CD1 3.32Å; T339-L341 PolarHBondContact O-N 3.23Å
342	H	97	Very high	94.6	Very high	92 Å²	92	41 Å²	41	43%	0.426	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.9	165.4	-65.1	-71.1	0	0	0	110	N313 P314 T315 L316	N313-H342 PolarHBondContact OD1-NE2 3.38Å; P314-H342 PolarHBondContact O-N 2.94Å; T315-H342 WeakPolarHBondContact CA-O 3.34Å; L316-H342 PolarHBondContact N-O 3.23Å
343	L	97.4	Very high	94.4	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.188	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.4	172.4	179.1	64.6	0	0	0	109.8	L316 V318 L332 K333 T336	L316-L343 HydrophobicContact CD2-CD1 4.02Å; L316-L343 HydrophobicContact CG-CD1 4.23Å; V318-L343 HydrophobicContact CB-CD1 4.46Å; V318-L343 HydrophobicContact CG2-CD1 3.45Å; V318-L343 VanDerWaalsContact CG2-CD1 3.45Å; L332-L343 HydrophobicContact CB-CD1 4.38Å; L332-L343 HydrophobicContact CB-CD2 4.21Å; K333-L343 HydrophobicContact CB-CD2 4.01Å; K333-L343 HydrophobicContact CD-CB 4.25Å; K333-L343 HydrophobicContact CD-CD2 4.28Å; T336-L343 HydrophobicContact CG2-CB 4.07Å; T336-L343 HydrophobicContact CG2-CD1 4.33Å
344	L	96.8	Very high	94.3	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.9	172.6	-58	179.5	0	0	0	110.6	V150 Q154 V156 T315 L316 V317 V318	V150-L344 HydrophobicContact CG2-CB 3.87Å; V150-L344 HydrophobicContact CG2-CD1 4.16Å; Q154-L344 HydrophobicContact CG-CD1 4.38Å; V156-L344 HydrophobicContact CG2-CD1 3.53Å; T315-L344 HydrophobicContact CG2-CB 4.4Å; T315-L344 HydrophobicContact CG2-CD1 3.55Å; T315-L344 HydrophobicContact CG2-CG 3.81Å; L316-L344 PolarHBondContact O-N 3.28Å; V317-L344 CarbonylContact C-O 3.14Å; V317-L344 VanDerWaalsContact CA-O 3.31Å; V317-L344 WeakPolarHBondContact CA-O 3.18Å; V318-L344 PolarHBondContact N-O 2.85Å
345	C	95.1	Very high	94.4	Very high	30 Å²	30	36.8 Å²	36.8	20%	0.203	22%	0.215	C	C	.	.			trans	-129.3	128.6	174.2	-54.1	0	0	0	0	108.4	V318 R329	V318-C345 WeakPolarHBondContact O-CA 3.29Å; R329-C345 VanDerWaalsContact CZ-CB 3.4Å; R329-C345 VanDerWaalsContact NH1-CB 3.32Å
346	P	92.8	Very high	94.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	22%	0.215	C	C	.	.			trans	-56.2	155.2	170	-21.9	33	0	0	0	111.5	T149 V150 L153 V318 R329 F350 C351	T149-P346 HydrophobicContact CG2-CB 4.26Å; T149-P346 HydrophobicContact CG2-CG 4.22Å; V150-P346 HydrophobicContact CB-CG 4.22Å; L153-P346 HydrophobicContact CD1-CB 4.25Å; V318-P346 WeakPolarHBondContact O-CD 3.47Å; R329-P346 PolarHBondContact NH2-O 2.73Å; P346-F350 HydrophobicContact CB-CB 4.18Å; P346-C351 PolarHBondContact O-SG 2.81Å
347	P	91.4	Very high	94.4	Very high	59 Å²	59	36.9 Å²	36.9	38%	0.383	22%	0.215	S	C	.	.			trans	-52.1	144.7	164.6	-25.2	33.3	0	0	0	110.6	L153 K349 F350 C351	L153-P347 HydrophobicContact CD1-CG 4.12Å; P347-K349 HydrophobicContact CB-CG 4.32Å; P347-K349 PolarHBondContact O-N 2.66Å; P347-F350 HydrophobicContact CB-CD2 4.31Å; P347-F350 HydrophobicContact CG-CD2 4.17Å; P347-F350 PolarHBondContact O-N 3.27Å; P347-C351 PolarHBondContact O-N 3.1Å
348	S	86.9	Confident	94.5	Very high	55 Å²	55	32.4 Å²	32.4	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-53.4	-34.2	-173.4	-49.2	0	0	0	0	113.7	S324 F350 C351	S324-S348 WeakPolarHBondContact OG-CB 2.92Å; S348-F350 PolarHBondContact O-N 3.44Å; S348-C351 PolarHBondContact O-N 3.35Å; S348-C351 VanDerWaalsContact O-N 3.1Å
349	K	90.1	Very high	94.6	Very high	128 Å²	128	28.2 Å²	28.2	56%	0.557	17%	0.165	S	C	*	.	H	α-helix	trans	-61.3	-24.4	176.9	67.1	167.2	-177.6	160.6	0	114.4	P347	P347-K349 HydrophobicContact CB-CG 4.32Å; P347-K349 PolarHBondContact O-N 2.66Å
350	F	92	Very high	94.7	Very high	11 Å²	11	28 Å²	28	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-102.3	-4.1	178.2	-60	-44.3	0	0	0	112.9	I55 T149 M152 L153 P346 P347 S348 V356	I55-F350 HydrophobicContact CD1-CE1 3.76Å; I55-F350 HydrophobicContact CD1-CZ 3.53Å; T149-F350 HydrophobicContact CG2-CB 3.83Å; M152-F350 HydrophobicContact CE-CD1 4.46Å; M152-F350 HydrophobicContact CE-CD2 3.89Å; M152-F350 HydrophobicContact CE-CE1 4.26Å; M152-F350 HydrophobicContact CE-CE2 3.63Å; M152-F350 HydrophobicContact CE-CG 4.3Å; M152-F350 HydrophobicContact CE-CZ 3.82Å; L153-F350 HydrophobicContact CD1-CD2 4.45Å; L153-F350 HydrophobicContact CD2-CD2 4.25Å; L153-F350 HydrophobicContact CD2-CE2 3.99Å; P346-F350 HydrophobicContact CB-CB 4.18Å; P347-F350 HydrophobicContact CB-CD2 4.31Å; P347-F350 HydrophobicContact CG-CD2 4.17Å; P347-F350 PolarHBondContact O-N 3.27Å; S348-F350 PolarHBondContact O-N 3.44Å; F350-V356 HydrophobicContact CD1-CB 4.5Å; F350-V356 HydrophobicContact CD1-CG1 4.27Å; F350-V356 HydrophobicContact CE1-CB 4.34Å; F350-V356 HydrophobicContact CE1-CG1 3.97Å; F350-V356 HydrophobicContact CE1-CG2 4.34Å
351	C	87.9	Confident	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-85.1	-20.4	175.6	-69.7	0	0	0	0	113.1	H146 G320 G321 P346 P347 S348	H146-C351 PolarHBondContact CE1-O 2.9Å; G320-C351 CarbonylContact C-O 3.57Å; G320-C351 WeakPolarHBondContact CA-O 3.5Å; G320-C351 PolarHBondContact N-O 3.49Å; G320-C351 WeakPolarHBondContact O-CB 3.35Å; G321-C351 PolarHBondContact N-O 2.92Å; P346-C351 PolarHBondContact O-SG 2.81Å; P347-C351 PolarHBondContact O-N 3.1Å; S348-C351 PolarHBondContact O-N 3.35Å; S348-C351 VanDerWaalsContact O-N 3.1Å
352	T	88	Confident	94.8	Very high	44 Å²	44	25.2 Å²	25.2	27%	0.27	14%	0.136	S	C	.	.	S	Bend	trans	-92.4	161.7	172.6	53.5	0	0	0	0	110.7	N354	T352-N354 PolarHBondContact O-N 3.5Å; T352-N354 PolarHBondContact O-ND2 2.64Å
353	D	93.7	Very high	94.9	Very high	27 Å²	27	21 Å²	21	14%	0.144	12%	0.117	C	C	.	.			trans	-60.2	130.6	-177.5	-56.6	-14	0	0	0	111.7	E38 E43 H142 H146 M357	E38-D353 HydrophobicContact CG-CB 4.18Å; E43-D353 HydrophobicContact CB-CB 4.05Å; E43-D353 HydrophobicContact CG-CB 4.17Å; H142-D353 IonicContact CE1-OD1 3.95Å; H142-D353 PolarHBondContact CE1-OD1 2.92Å; H142-D353 IonicContact CE1-OD2 3.76Å; H142-D353 IonicContact NE2-OD1 2.81Å; H142-D353 PolarHBondContact NE2-OD1 3.39Å; H142-D353 IonicContact NE2-OD2 2.72Å; H146-D353 IonicContact CE1-OD1 2.73Å; H146-D353 PolarHBondContact CE1-OD1 3.39Å; H146-D353 IonicContact NE2-OD1 3.7Å; H146-D353 PolarHBondContact NE2-OD1 3.25Å; D353-M357 HydrophobicContact CB-CE 4.19Å
354	N	96.3	Very high	94.9	Very high	9 Å²	9	19.6 Å²	19.6	5%	0.048	11%	0.109	C	C	.	.			trans	-158.1	163.2	-175.6	63.8	73.4	0	0	0	111.3	T352 V356 M357	T352-N354 PolarHBondContact O-N 3.5Å; T352-N354 PolarHBondContact O-ND2 2.64Å; N354-V356 VanDerWaalsContact C-N 3.31Å; N354-V356 PolarHBondContact O-N 3.38Å; N354-V356 WeakPolarHBondContact OD1-CA 3.14Å; N354-V356 WeakPolarHBondContact OD1-CB 3.46Å; N354-V356 PolarHBondContact OD1-N 3.03Å; N354-M357 VanDerWaalsContact O-CG 3.27Å; N354-M357 WeakPolarHBondContact O-CG 3.22Å; N354-M357 PolarHBondContact OD1-N 3.46Å
355	G	98.2	Very high	94.9	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-72	-21.8	176.9	0	0	0	0	0	114.2	I358 A359	G355-I358 PolarHBondContact O-N 3.01Å; G355-A359 WeakPolarHBondContact O-CB 3.41Å; G355-A359 PolarHBondContact O-N 3.22Å
356	V	98.3	Very high	94.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66	-46.3	-177.5	173.7	0	0	0	0	111.2	A47 M49 I55 E58 M152 F350 N354 I358 A359 W360	A47-V356 HydrophobicContact CB-CB 4.28Å; A47-V356 HydrophobicContact CB-CG2 3.58Å; M49-V356 HydrophobicContact CE-CG1 4.26Å; M49-V356 HydrophobicContact SD-CB 4.4Å; M49-V356 HydrophobicContact SD-CG1 3.64Å; M49-V356 VanDerWaalsContact SD-O 3.39Å; I55-V356 HydrophobicContact CD1-CG1 3.78Å; I55-V356 HydrophobicContact CD1-CG2 3.92Å; I55-V356 HydrophobicContact CG1-CG1 3.99Å; I55-V356 HydrophobicContact CG1-CG2 4.2Å; I55-V356 HydrophobicContact CG2-CG2 4.27Å; E58-V356 HydrophobicContact CB-CG2 4.23Å; E58-V356 WeakPolarHBondContact OE2-CG2 3.46Å; M152-V356 HydrophobicContact CE-CG1 3.89Å; M152-V356 HydrophobicContact SD-CG1 3.49Å; M152-V356 WeakPolarHBondContact SD-CG1 3.46Å; F350-V356 HydrophobicContact CD1-CB 4.5Å; F350-V356 HydrophobicContact CD1-CG1 4.27Å; F350-V356 HydrophobicContact CE1-CB 4.34Å; F350-V356 HydrophobicContact CE1-CG1 3.97Å; F350-V356 HydrophobicContact CE1-CG2 4.34Å; N354-V356 VanDerWaalsContact C-N 3.31Å; N354-V356 PolarHBondContact O-N 3.38Å; N354-V356 WeakPolarHBondContact OD1-CA 3.14Å; N354-V356 WeakPolarHBondContact OD1-CB 3.46Å; N354-V356 PolarHBondContact OD1-N 3.03Å; V356-I358 PolarHBondContact O-N 3.28Å; V356-A359 PolarHBondContact O-N 3.34Å; V356-W360 WeakPolarHBondContact O-CB 3.48Å; V356-W360 PolarHBondContact O-N 3.43Å
357	M	97.6	Very high	95	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-34	178.4	65.3	-179	-169.7	0	0	112.1	E38 H142 A145 H146 T149 D353 N354 N361	E38-M357 HydrophobicContact CG-CE 3.96Å; E38-M357 WeakPolarHBondContact OE2-CE 3.22Å; H142-M357 WeakPolarHBondContact CE1-CE 3.35Å; H142-M357 WeakPolarHBondContact ND1-CE 3.25Å; A145-M357 HydrophobicContact CB-CB 4.16Å; A145-M357 HydrophobicContact CB-CG 4.07Å; A145-M357 HydrophobicContact CB-SD 4.47Å; H146-M357 VanDerWaalsContact CE1-SD 3.52Å; T149-M357 WeakPolarHBondContact OG1-CB 3.42Å; D353-M357 HydrophobicContact CB-CE 4.19Å; N354-M357 VanDerWaalsContact O-CG 3.27Å; N354-M357 WeakPolarHBondContact O-CG 3.22Å; N354-M357 PolarHBondContact OD1-N 3.46Å; M357-N361 WeakPolarHBondContact O-CB 3.13Å; M357-N361 PolarHBondContact O-N 3.01Å
358	I	98.7	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73.4	-45.2	178.3	-55.2	-49.1	0	0	0	110.5	E38 A108 T110 I140 A145 G355 V356 W360 N361 G362	E38-I358 HydrophobicContact CB-CG1 3.81Å; E38-I358 HydrophobicContact CG-CG1 4.43Å; E38-I358 WeakPolarHBondContact OE2-CD1 3.4Å; A108-I358 HydrophobicContact CB-CG2 4.18Å; A108-I358 VanDerWaalsContact O-CG2 3.3Å; A108-I358 WeakPolarHBondContact O-CG2 3.45Å; T110-I358 WeakPolarHBondContact OG1-CD1 3.38Å; T110-I358 WeakPolarHBondContact OG1-CG1 3.43Å; I140-I358 HydrophobicContact CB-CG2 4.13Å; I140-I358 HydrophobicContact CG1-CG2 3.88Å; I140-I358 HydrophobicContact CG2-CD1 3.76Å; I140-I358 HydrophobicContact CG2-CG2 4.26Å; A145-I358 HydrophobicContact CB-CD1 3.55Å; G355-I358 PolarHBondContact O-N 3.01Å; V356-I358 PolarHBondContact O-N 3.28Å; I358-W360 VanDerWaalsContact C-N 3.31Å; I358-W360 PolarHBondContact O-N 3.48Å; I358-N361 PolarHBondContact O-N 3.21Å; I358-G362 PolarHBondContact O-N 3.4Å
359	A	98.6	Very high	95.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-44.8	175	0	0	0	0	0	110.7	A47 M49 G355 V356 G362 V363	A47-A359 HydrophobicContact CB-CB 4.44Å; M49-A359 HydrophobicContact CB-CB 3.96Å; M49-A359 HydrophobicContact CG-CB 3.69Å; M49-A359 HydrophobicContact SD-CB 3.8Å; G355-A359 WeakPolarHBondContact O-CB 3.41Å; G355-A359 PolarHBondContact O-N 3.22Å; V356-A359 PolarHBondContact O-N 3.34Å; A359-G362 CarbonylContact O-C 3.57Å; A359-G362 WeakPolarHBondContact O-CA 3.45Å; A359-G362 PolarHBondContact O-N 2.99Å; A359-V363 WeakPolarHBondContact O-CG2 3.4Å; A359-V363 PolarHBondContact O-N 3.35Å
360	W	98.1	Very high	95.8	Very high	6 Å²	6	22.5 Å²	22.5	2%	0.023	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-44.5	177.9	178.6	-112.8	0	0	0	112.8	M49 L148 R151 M152 V356 I358 G362 V363 E364 R367	M49-W360 HydrophobicContact CE-CB 4.5Å; M49-W360 HydrophobicContact CE-CE3 4.17Å; M49-W360 HydrophobicContact SD-CB 4.01Å; L148-W360 PolarHBondContact O-NE1 2.95Å; L148-W360 VanDerWaalsContact O-NE1 3.08Å; R151-W360 HydrophobicContact CB-CZ2 4.04Å; R151-W360 VanDerWaalsContact O-CZ2 3.28Å; R151-W360 WeakPolarHBondContact O-CZ2 3.32Å; M152-W360 VanDerWaalsContact CA-CE2 3.45Å; M152-W360 VanDerWaalsContact CA-CZ2 3.41Å; M152-W360 HydrophobicContact CB-CD2 3.59Å; M152-W360 HydrophobicContact CB-CE3 4.03Å; M152-W360 HydrophobicContact CB-CG 3.84Å; M152-W360 HydrophobicContact CB-CH2 4.44Å; M152-W360 HydrophobicContact CB-CZ2 4.12Å; M152-W360 HydrophobicContact CB-CZ3 4.43Å; M152-W360 HydrophobicContact CG-CD2 3.98Å; M152-W360 HydrophobicContact CG-CE3 3.95Å; M152-W360 HydrophobicContact CG-CG 4.32Å; M152-W360 HydrophobicContact CG-CZ3 4.35Å; M152-W360 VanDerWaalsContact N-CE2 3.31Å; M152-W360 VanDerWaalsContact N-CZ2 3.33Å; M152-W360 HydrophobicContact SD-CB 4.46Å; V356-W360 WeakPolarHBondContact O-CB 3.48Å; V356-W360 PolarHBondContact O-N 3.43Å; I358-W360 VanDerWaalsContact C-N 3.31Å; I358-W360 PolarHBondContact O-N 3.48Å; W360-G362 VanDerWaalsContact C-N 3.26Å; W360-G362 PolarHBondContact O-N 3.45Å; W360-V363 HydrophobicContact CE3-CB 4.22Å; W360-V363 HydrophobicContact CE3-CG1 4.17Å; W360-V363 HydrophobicContact CZ3-CG1 4.04Å; W360-V363 WeakPolarHBondContact O-CB 3.37Å; W360-V363 PolarHBondContact O-N 3.33Å; W360-V363 VanDerWaalsContact O-N 3.1Å; W360-E364 HydrophobicContact CD2-CG 4.46Å; W360-E364 HydrophobicContact CZ2-CG 4.15Å; W360-E364 WeakPolarHBondContact O-CG 3.4Å; W360-E364 PolarHBondContact O-N 3.02Å; W360-R367 VanDerWaalsContact CH2-NH2 3.35Å
361	N	98.1	Very high	95.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-36	175.4	-172.4	-142.4	0	0	0	111.4	I140 A145 L148 M357 I358 E364 R365	I140-N361 HydrophobicContact CD1-CB 4.11Å; I140-N361 WeakPolarHBondContact CD1-OD1 3.49Å; I140-N361 HydrophobicContact CG2-CB 4.28Å; I140-N361 WeakPolarHBondContact CG2-OD1 3.48Å; A145-N361 HydrophobicContact CB-CB 4.09Å; L148-N361 WeakPolarHBondContact CD1-ND2 3.09Å; M357-N361 WeakPolarHBondContact O-CB 3.13Å; M357-N361 PolarHBondContact O-N 3.01Å; I358-N361 PolarHBondContact O-N 3.21Å; N361-E364 PolarHBondContact O-N 3.27Å; N361-R365 WeakPolarHBondContact O-CB 3.35Å; N361-R365 WeakPolarHBondContact O-CG 3.37Å; N361-R365 PolarHBondContact O-N 3.32Å
362	G	98.3	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-39.7	169.6	0	0	0	0	0	113.6	I358 A359 W360 R365 L366	I358-G362 PolarHBondContact O-N 3.4Å; A359-G362 CarbonylContact O-C 3.57Å; A359-G362 WeakPolarHBondContact O-CA 3.45Å; A359-G362 PolarHBondContact O-N 2.99Å; W360-G362 VanDerWaalsContact C-N 3.26Å; W360-G362 PolarHBondContact O-N 3.45Å; G362-R365 PolarHBondContact O-N 3.47Å; G362-L366 WeakPolarHBondContact O-CG 3.43Å; G362-L366 PolarHBondContact O-N 2.89Å
363	V	97.8	Very high	96.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-46.9	173.4	167.6	0	0	0	0	110.8	V34 M49 A359 W360 R365 L366 R367	V34-V363 HydrophobicContact CB-CG2 3.93Å; V34-V363 HydrophobicContact CG2-CG2 3.65Å; M49-V363 HydrophobicContact CB-CG2 4.47Å; A359-V363 WeakPolarHBondContact O-CG2 3.4Å; A359-V363 PolarHBondContact O-N 3.35Å; W360-V363 HydrophobicContact CE3-CB 4.22Å; W360-V363 HydrophobicContact CE3-CG1 4.17Å; W360-V363 HydrophobicContact CZ3-CG1 4.04Å; W360-V363 WeakPolarHBondContact O-CB 3.37Å; W360-V363 PolarHBondContact O-N 3.33Å; W360-V363 VanDerWaalsContact O-N 3.1Å; V363-R365 VanDerWaalsContact C-N 3.34Å; V363-R365 PolarHBondContact O-N 2.95Å; V363-L366 PolarHBondContact O-N 3.46Å; V363-R367 WeakPolarHBondContact O-CG 3.43Å; V363-R367 PolarHBondContact O-N 2.91Å
364	E	97.4	Very high	96.9	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.028	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-43.9	176.7	-70.3	-76.7	96.6	0	0	111.6	R151 I178 W360 N361 L366 R367 E368	R151-E364 IonicContact CZ-OE2 2.73Å; R151-E364 IonicContact NE-OE2 2.8Å; R151-E364 PolarHBondContact NE-OE2 3.05Å; R151-E364 IonicContact NH2-OE2 3.17Å; R151-E364 PolarHBondContact NH2-OE2 2.66Å; I178-E364 HydrophobicContact CB-CB 4.47Å; I178-E364 HydrophobicContact CG2-CB 3.9Å; W360-E364 HydrophobicContact CD2-CG 4.46Å; W360-E364 HydrophobicContact CZ2-CG 4.15Å; W360-E364 WeakPolarHBondContact O-CG 3.4Å; W360-E364 PolarHBondContact O-N 3.02Å; N361-E364 PolarHBondContact O-N 3.27Å; E364-L366 PolarHBondContact O-N 3.16Å; E364-R367 WeakPolarHBondContact O-CB 3.31Å; E364-R367 PolarHBondContact O-N 3.37Å; E364-R367 IonicContact OE1-CZ 3.64Å; E364-R367 IonicContact OE1-NH1 2.62Å; E364-R367 PolarHBondContact OE1-NH1 3.36Å; E364-E368 PolarHBondContact O-N 3.19Å; E364-E368 VanDerWaalsContact O-N 3.13Å
365	R	97.5	Very high	96.6	Very high	22 Å²	22	30.1 Å²	30.1	8%	0.083	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-43.5	174.9	-69.4	-87.8	-173.9	-177.9	1.4	112.3	I138 I140 E144 I178 D179 N361 G362 V363 E368 G369 K370	I138-R365 HydrophobicContact CD1-CB 4.4Å; I138-R365 HydrophobicContact CG2-CB 3.93Å; I138-R365 HydrophobicContact CG2-CG 4.01Å; I140-R365 HydrophobicContact CD1-CG 4.36Å; E144-R365 IonicContact OE1-NH2 2.81Å; E144-R365 IonicContact OE2-CZ 3.31Å; E144-R365 IonicContact OE2-NH2 3.02Å; E144-R365 PolarHBondContact OE2-NH2 3.19Å; I178-R365 HydrophobicContact CD1-CB 4.46Å; I178-R365 HydrophobicContact CD1-CG 4.17Å; D179-R365 IonicContact OD2-CZ 2.82Å; D179-R365 IonicContact OD2-NH1 3.44Å; D179-R365 PolarHBondContact OD2-NH1 2.97Å; N361-R365 WeakPolarHBondContact O-CB 3.35Å; N361-R365 WeakPolarHBondContact O-CG 3.37Å; N361-R365 PolarHBondContact O-N 3.32Å; G362-R365 PolarHBondContact O-N 3.47Å; V363-R365 VanDerWaalsContact C-N 3.34Å; V363-R365 PolarHBondContact O-N 2.95Å; R365-E368 PolarHBondContact O-N 3.36Å; R365-G369 PolarHBondContact O-N 2.67Å; R365-K370 WeakPolarHBondContact CB-O 3.44Å; R365-K370 WeakPolarHBondContact CD-O 3.22Å; R365-K370 PolarHBondContact O-N 3.12Å
366	L	96	Very high	96.2	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-37.7	174.7	-79.1	-173.4	0	0	0	112.9	R32 V34 A106 I138 G362 V363 E364 E368 G369 I372	R32-L366 HydrophobicContact CB-CD1 4.39Å; R32-L366 PolarHBondContact NH1-O 2.94Å; V34-L366 HydrophobicContact CG2-CD1 3.38Å; V34-L366 HydrophobicContact CG2-CG 4.29Å; A106-L366 HydrophobicContact CB-CD1 4.05Å; A106-L366 HydrophobicContact CB-CD2 4.1Å; A106-L366 HydrophobicContact CB-CG 4.33Å; I138-L366 HydrophobicContact CD1-CD2 3.81Å; I138-L366 HydrophobicContact CD1-CG 3.72Å; G362-L366 WeakPolarHBondContact O-CG 3.43Å; G362-L366 PolarHBondContact O-N 2.89Å; V363-L366 PolarHBondContact O-N 3.46Å; E364-L366 PolarHBondContact O-N 3.16Å; L366-E368 VanDerWaalsContact C-N 3.35Å; L366-G369 PolarHBondContact O-N 2.91Å; L366-I372 HydrophobicContact CD2-CD1 3.58Å; L366-I372 HydrophobicContact CD2-CG1 3.98Å
367	R	94.5	Very high	95.9	Very high	107 Å²	107	38.9 Å²	38.9	40%	0.404	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-41	177.9	-73.8	172.1	-177.7	168.5	1.5	111.3	E51 W360 V363 E364	E51-R367 PolarHBondContact O-NH2 3.06Å; W360-R367 VanDerWaalsContact CH2-NH2 3.35Å; V363-R367 WeakPolarHBondContact O-CG 3.43Å; V363-R367 PolarHBondContact O-N 2.91Å; E364-R367 WeakPolarHBondContact O-CB 3.31Å; E364-R367 PolarHBondContact O-N 3.37Å; E364-R367 IonicContact OE1-CZ 3.64Å; E364-R367 IonicContact OE1-NH1 2.62Å; E364-R367 PolarHBondContact OE1-NH1 3.36Å
368	E	95.3	Very high	95.6	Very high	85 Å²	85	47.6 Å²	47.6	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-84.6	-12.3	177.6	-67.1	-166.4	-168.6	0	0	114.2	I178 E364 R365 L366 K370	I178-E368 HydrophobicContact CD1-CB 3.84Å; I178-E368 VanDerWaalsContact CD1-CD 3.47Å; I178-E368 HydrophobicContact CD1-CG 3.85Å; I178-E368 WeakPolarHBondContact CD1-OE2 3.32Å; I178-E368 WeakPolarHBondContact CG1-OE2 3.49Å; I178-E368 WeakPolarHBondContact CG2-OE1 3.33Å; E364-E368 PolarHBondContact O-N 3.19Å; E364-E368 VanDerWaalsContact O-N 3.13Å; R365-E368 PolarHBondContact O-N 3.36Å; L366-E368 VanDerWaalsContact C-N 3.35Å; E368-K370 HydrophobicContact CB-CD 4.24Å; E368-K370 HydrophobicContact CB-CG 4.14Å; E368-K370 WeakPolarHBondContact OE2-CD 3.48Å; E368-K370 VanDerWaalsContact OE2-CE 3.27Å; E368-K370 WeakPolarHBondContact OE2-CE 3.47Å; E368-K370 IonicContact OE2-NZ 2.86Å; E368-K370 PolarHBondContact OE2-NZ 3.05Å
369	G	95.5	Very high	95.4	Very high	54 Å²	54	48.7 Å²	48.7	56%	0.557	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	28.7	-176.5	0	0	0	0	0	113.6	R365 L366	R365-G369 PolarHBondContact O-N 2.67Å; L366-G369 PolarHBondContact O-N 2.91Å
370	K	95	Very high	95.3	Very high	79 Å²	79	55 Å²	55	34%	0.343	30%	0.295	S	S	.	.			trans	-111.4	140.7	-174.3	-72.3	-177.7	179	166	0	112.6	I178 D179 R365 E368 I372	I178-K370 HydrophobicContact CD1-CD 4.33Å; D179-K370 IonicContact OD1-NZ 2.74Å; D179-K370 PolarHBondContact OD1-NZ 3.36Å; R365-K370 WeakPolarHBondContact CB-O 3.44Å; R365-K370 WeakPolarHBondContact CD-O 3.22Å; R365-K370 PolarHBondContact O-N 3.12Å; E368-K370 HydrophobicContact CB-CD 4.24Å; E368-K370 HydrophobicContact CB-CG 4.14Å; E368-K370 WeakPolarHBondContact OE2-CD 3.48Å; E368-K370 VanDerWaalsContact OE2-CE 3.27Å; E368-K370 WeakPolarHBondContact OE2-CE 3.47Å; E368-K370 IonicContact OE2-NZ 2.86Å; E368-K370 PolarHBondContact OE2-NZ 3.05Å; K370-I372 VanDerWaalsContact C-N 3.27Å; K370-I372 PolarHBondContact O-N 3.47Å
371	G	94.1	Very high	95.3	Very high	35 Å²	35	59 Å²	59	36%	0.361	31%	0.311	S	S	.	.	S	Bend	trans	64.9	29.7	172.9	0	0	0	0	0	113.7	P139	P139-G371 WeakPolarHBondContact CD-O 3.43Å
372	I	97.1	Very high	95.3	Very high	68 Å²	68	63.2 Å²	63.2	35%	0.349	33%	0.33	S	S	.	.			trans	-97.4	113	178.1	-53.7	166.3	0	0	0	107.4	P136 I138 L366 K370	P136-I372 HydrophobicContact CB-CG2 3.66Å; I138-I372 HydrophobicContact CD1-CG1 4.39Å; I138-I372 HydrophobicContact CG1-CG1 4.4Å; L366-I372 HydrophobicContact CD2-CD1 3.58Å; L366-I372 HydrophobicContact CD2-CG1 3.98Å; K370-I372 VanDerWaalsContact C-N 3.27Å; K370-I372 PolarHBondContact O-N 3.47Å
373	L	97.3	Very high	95.2	Very high	40 Å²	40	65.8 Å²	65.8	21%	0.209	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-100.9	150.3	-178.8	-49.5	-176.8	0	0	0	110.3	P136 F137 P139 E377 V379	P136-L373 WeakPolarHBondContact CA-O 3.43Å; F137-L373 HydrophobicContact CD1-CD1 4.39Å; F137-L373 PolarHBondContact N-O 3.35Å; F137-L373 PolarHBondContact O-N 3.12Å; P139-L373 HydrophobicContact CG-CD1 3.9Å; P139-L373 HydrophobicContact CG-CG 4.44Å; L373-E377 HydrophobicContact CB-CB 4.35Å; L373-E377 WeakPolarHBondContact CD2-OE2 3.46Å; L373-V379 HydrophobicContact CD1-CG2 3.53Å
374	S	95.6	Very high	95.1	Very high	46 Å²	46	74.8 Å²	74.8	32%	0.322	39%	0.386	S	S	.	.			trans	-69.5	156.4	170.2	67.2	0	0	0	0	111.2	T376 E377	S374-T376 PolarHBondContact O-N 2.99Å; S374-T376 VanDerWaalsContact O-N 3.08Å; S374-T376 PolarHBondContact OG-OG1 2.98Å; S374-E377 WeakPolarHBondContact CB-OE1 3.32Å; S374-E377 PolarHBondContact N-OE1 3.29Å; S374-E377 PolarHBondContact O-N 3.31Å; S374-E377 WeakPolarHBondContact OG-CG 3.42Å; S374-E377 PolarHBondContact OG-OE1 2.88Å
375	H	90.8	Very high	94.9	Very high	62 Å²	62	75.3 Å²	75.3	29%	0.287	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.3	179.6	59.9	-81.3	0	0	0	114.1	V130 K131 K135	V130-H375 HydrophobicContact CB-CB 4.38Å; V130-H375 HydrophobicContact CG2-CB 4.36Å; K131-H375 VanDerWaalsContact CG-O 3.28Å; K131-H375 WeakPolarHBondContact CG-O 3.41Å; K135-H375 WeakPolarHBondContact O-CB 3.49Å
376	T	89.5	Confident	94.8	Very high	101 Å²	101	79 Å²	79	62%	0.62	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.1	179.5	46.8	0	0	0	0	113.5	S374	S374-T376 PolarHBondContact O-N 2.99Å; S374-T376 VanDerWaalsContact O-N 3.08Å; S374-T376 PolarHBondContact OG-OG1 2.98Å
377	E	91.4	Very high	94.8	Very high	86 Å²	86	78.4 Å²	78.4	40%	0.402	42%	0.415	S	S	.	.	S	Bend	trans	-72.7	143.6	-178.2	-81.6	168.8	-106.3	0	0	112.4	L373 S374	L373-E377 HydrophobicContact CB-CB 4.35Å; L373-E377 WeakPolarHBondContact CD2-OE2 3.46Å; S374-E377 WeakPolarHBondContact CB-OE1 3.32Å; S374-E377 PolarHBondContact N-OE1 3.29Å; S374-E377 PolarHBondContact O-N 3.31Å; S374-E377 WeakPolarHBondContact OG-CG 3.42Å; S374-E377 PolarHBondContact OG-OE1 2.88Å
378	E	91.4	Very high	94.8	Very high	184 Å²	184	75 Å²	75	86%	0.86	41%	0.412	S	S	*	.			trans	-81.5	133.7	172.8	-66.6	-170.6	171.3	0	0	110
379	V	95.3	Very high	95	Very high	22 Å²	22	75.1 Å²	75.1	13%	0.133	42%	0.419	C	S	.	.			trans	-129.7	135.2	178	-176.7	0	0	0	0	108.4	V111 L123 L127 F137 P139 L373	V111-V379 HydrophobicContact CG1-CG1 4.3Å; L123-V379 HydrophobicContact CD1-CB 4.22Å; L123-V379 HydrophobicContact CD1-CG1 4.11Å; L123-V379 WeakPolarHBondContact CD2-O 3.41Å; L127-V379 HydrophobicContact CD2-CG2 4.49Å; F137-V379 HydrophobicContact CD1-CG2 3.92Å; F137-V379 HydrophobicContact CE1-CB 4.25Å; F137-V379 HydrophobicContact CE1-CG1 4.03Å; F137-V379 HydrophobicContact CE1-CG2 3.92Å; P139-V379 HydrophobicContact CB-CG1 4.4Å; L373-V379 HydrophobicContact CD1-CG2 3.53Å
380	N	96.1	Very high	95.1	Very high	133 Å²	133	76.8 Å²	76.8	71%	0.711	42%	0.415	S	S	*	.			trans	-107.9	152.5	172.6	-66.5	-54.9	0	0	0	109.8
381	Y	97.3	Very high	95.2	Very high	91 Å²	91	73.7 Å²	73.7	36%	0.357	40%	0.402	S	S	.	.			trans	-91.2	150.1	170	63.3	-96.7	0	0	0	110.5	V111 A116 L119 L123 P383	V111-Y381 CarbonylContact O-C 3.59Å; V111-Y381 VanDerWaalsContact O-CA 3.24Å; V111-Y381 WeakPolarHBondContact O-CA 3.49Å; V111-Y381 VanDerWaalsContact O-CB 3.27Å; V111-Y381 WeakPolarHBondContact O-CB 3.16Å; A116-Y381 HydrophobicContact CB-CE2 3.8Å; A116-Y381 WeakPolarHBondContact O-CE2 3.34Å; L119-Y381 HydrophobicContact CB-CD2 3.96Å; L119-Y381 HydrophobicContact CB-CG 3.9Å; L119-Y381 HydrophobicContact CD1-CD2 4.1Å; L123-Y381 HydrophobicContact CD2-CD1 4.05Å; Y381-P383 HydrophobicContact CD2-CG 3.88Å; Y381-P383 HydrophobicContact CE2-CG 3.83Å
382	E	98	Very high	95.4	Very high	87 Å²	87	72.7 Å²	72.7	41%	0.407	39%	0.389	S	S	.	.			trans	-120.8	101	179.3	-61.2	171.8	-113.3	0	0	108.9	V111 K112 P113 K384 A385	V111-E382 PolarHBondContact O-N 2.91Å; K112-E382 WeakPolarHBondContact CA-O 3.47Å; K112-E382 HydrophobicContact CB-CB 3.83Å; K112-E382 WeakPolarHBondContact CB-O 3.49Å; K112-E382 HydrophobicContact CD-CB 4.1Å; K112-E382 HydrophobicContact CD-CG 4.33Å; K112-E382 VanDerWaalsContact CD-OE1 3.29Å; K112-E382 WeakPolarHBondContact CD-OE1 3.43Å; K112-E382 IonicContact NZ-OE1 3.4Å; K112-E382 PolarHBondContact NZ-OE1 2.99Å; K112-E382 IonicContact NZ-OE2 3.79Å; P113-E382 WeakPolarHBondContact CA-O 3.33Å; E382-K384 PolarHBondContact O-N 3.08Å; E382-A385 HydrophobicContact CB-CB 4.39Å
383	P	96.4	Very high	95.4	Very high	54 Å²	54	72.5 Å²	72.5	35%	0.351	40%	0.397	S	S	.	.	S	Bend	trans	-60.3	-32.2	-177.3	-25.8	35.7	0	0	0	113.3	P113 G114 A116 Y381	P113-P383 WeakPolarHBondContact CB-O 3.47Å; G114-P383 PolarHBondContact N-O 3.31Å; G114-P383 VanDerWaalsContact O-CA 3.3Å; G114-P383 WeakPolarHBondContact O-CA 3.28Å; G114-P383 WeakPolarHBondContact O-CB 3.24Å; A116-P383 HydrophobicContact CB-CB 4.12Å; A116-P383 HydrophobicContact CB-CG 3.55Å; Y381-P383 HydrophobicContact CD2-CG 3.88Å; Y381-P383 HydrophobicContact CE2-CG 3.83Å
384	K	94.8	Very high	95.4	Very high	193 Å²	193	75.1 Å²	75.1	84%	0.839	41%	0.408	S	S	*	.	S	Bend	trans	-118.7	114.4	175.5	-64.3	-177.4	-178.6	-179.7	0	108.4	E382	E382-K384 PolarHBondContact O-N 3.08Å
385	A	95	Very high	95.5	Very high	16 Å²	16	72.9 Å²	72.9	13%	0.132	39%	0.393	C	S	.	.			trans	-140.8	119	175.7	0	0	0	0	0	108.5	K112 P113 E382	K112-A385 HydrophobicContact CB-CB 3.74Å; K112-A385 HydrophobicContact CD-CB 3.73Å; K112-A385 HydrophobicContact CG-CB 3.93Å; P113-A385 HydrophobicContact CB-CB 4.38Å; E382-A385 HydrophobicContact CB-CB 4.39Å
386	P	94	Very high	95.8	Very high	99 Å²	99	76 Å²	76	64%	0.643	41%	0.406	S	S	*	.			trans	-70	148	174.9	29.7	-33.3	0	0	0	110.6	G388	P386-G388 PolarHBondContact O-N 3.06Å
387	L	95.9	Very high	96.1	Very high	5 Å²	5	78.5 Å²	78.5	3%	0.026	41%	0.411	C	S	.	.	S	Bend	trans	-79.7	101.3	174	179.8	65.5	0	0	0	109.9	M143 E144 L164 L171 A173 F181 L183	M143-L387 HydrophobicContact CB-CB 4.49Å; M143-L387 HydrophobicContact CB-CD1 4.14Å; M143-L387 HydrophobicContact CB-CD2 4.24Å; E144-L387 HydrophobicContact CG-CD1 3.73Å; L164-L387 HydrophobicContact CD1-CD2 4.46Å; L171-L387 HydrophobicContact CD1-CD2 3.64Å; L171-L387 HydrophobicContact CD2-CB 4.32Å; L171-L387 HydrophobicContact CD2-CD2 3.99Å; L171-L387 HydrophobicContact CG-CD2 4.5Å; A173-L387 HydrophobicContact CB-CD2 3.82Å; F181-L387 HydrophobicContact CB-CD1 4.12Å; F181-L387 HydrophobicContact CB-CG 4.01Å; F181-L387 HydrophobicContact CD1-CD1 4Å; F181-L387 HydrophobicContact CD1-CD2 4.11Å; F181-L387 HydrophobicContact CD1-CG 4.15Å; F181-L387 HydrophobicContact CD2-CD1 3.94Å; F181-L387 HydrophobicContact CE1-CD1 4.4Å; F181-L387 HydrophobicContact CE2-CD1 4.38Å; F181-L387 HydrophobicContact CG-CD1 3.75Å; F181-L387 HydrophobicContact CG-CG 4.05Å; L183-L387 WeakPolarHBondContact CB-O 3.32Å
388	G	96.3	Very high	96.4	Very high	34 Å²	34	76.4 Å²	76.4	35%	0.351	41%	0.408	S	S	.	.	S	Bend	trans	68.7	-164.1	172.8	0	0	0	0	0	115.3	F181 P386	F181-G388 CarbonylContact O-C 3.52Å; F181-G388 VanDerWaalsContact O-CA 3.23Å; F181-G388 WeakPolarHBondContact O-CA 3.32Å; P386-G388 PolarHBondContact O-N 3.06Å
389	V	98.1	Very high	96.6	Very high	89 Å²	89	70.1 Å²	70.1	54%	0.539	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.7	-178	-179	0	0	0	0	110	F181 L182 L183 I391	F181-V389 PolarHBondContact O-N 2.89Å; L182-V389 CarbonylContact C-O 3.37Å; L182-V389 WeakPolarHBondContact CA-O 3.45Å; L182-V389 HydrophobicContact CD2-CB 4.04Å; L183-V389 PolarHBondContact N-O 3.3Å; V389-I391 HydrophobicContact CG1-CG2 4.34Å; V389-I391 PolarHBondContact O-N 2.89Å
390	N	97.9	Very high	96.6	Very high	88 Å²	88	70.3 Å²	70.3	47%	0.471	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	113	-179.5	-170.6	-20	0	0	0	112	L183 T392	L183-N390 HydrophobicContact CD2-CB 4.39Å; N390-T392 WeakPolarHBondContact OD1-CB 3.31Å; N390-T392 PolarHBondContact OD1-N 3.1Å; N390-T392 PolarHBondContact OD1-OG1 3.29Å
391	I	98.1	Very high	96.5	Very high	14 Å²	14	71.6 Å²	71.6	7%	0.072	39%	0.387	C	S	.	.			trans	-115.1	21.7	177.2	63.1	164	0	0	0	112.4	L182 L183 L184 F302 V389 A393 E394 V395	L182-I391 HydrophobicContact CB-CD1 3.84Å; L182-I391 HydrophobicContact CB-CG1 4.12Å; L182-I391 HydrophobicContact CD1-CD1 3.96Å; L182-I391 HydrophobicContact CD2-CG2 4.39Å; L182-I391 HydrophobicContact CG-CD1 4.4Å; L183-I391 WeakPolarHBondContact O-CG1 3.16Å; L183-I391 PolarHBondContact O-N 3.36Å; L184-I391 HydrophobicContact CD2-CD1 3.53Å; L184-I391 HydrophobicContact CD2-CG1 3.8Å; F302-I391 HydrophobicContact CE1-CD1 4.1Å; F302-I391 HydrophobicContact CZ-CD1 4.5Å; V389-I391 HydrophobicContact CG1-CG2 4.34Å; V389-I391 PolarHBondContact O-N 2.89Å; I391-A393 PolarHBondContact O-N 3.43Å; I391-A393 VanDerWaalsContact O-N 3.17Å; I391-E394 HydrophobicContact CB-CG 4.42Å; I391-E394 WeakPolarHBondContact CG2-OE1 3.26Å; I391-E394 WeakPolarHBondContact O-CB 3.49Å; I391-E394 PolarHBondContact O-N 2.69Å; I391-V395 PolarHBondContact O-N 3.02Å
392	T	97.1	Very high	96.3	Very high	15 Å²	15	69.6 Å²	69.6	9%	0.092	38%	0.382	C	S	.	.	H	α-helix	trans	-58.5	-30.7	-179.6	-55.1	0	0	0	0	112.3	L184 D243 N245 N390 V395 K396	L184-T392 PolarHBondContact O-OG1 3.3Å; D243-T392 HydrophobicContact CB-CG2 4.31Å; N245-T392 WeakPolarHBondContact ND2-CG2 3.04Å; N390-T392 WeakPolarHBondContact OD1-CB 3.31Å; N390-T392 PolarHBondContact OD1-N 3.1Å; N390-T392 PolarHBondContact OD1-OG1 3.29Å; T392-V395 PolarHBondContact O-N 3.39Å; T392-K396 PolarHBondContact O-N 3.41Å; T392-K396 VanDerWaalsContact O-N 3.07Å
393	A	97.2	Very high	96	Very high	63 Å²	63	68.6 Å²	68.6	52%	0.521	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-46.2	174.8	0	0	0	0	0	111.7	I391 V395 K396 E397	I391-A393 PolarHBondContact O-N 3.43Å; I391-A393 VanDerWaalsContact O-N 3.17Å; A393-V395 VanDerWaalsContact C-N 3.31Å; A393-V395 PolarHBondContact O-N 3.42Å; A393-K396 WeakPolarHBondContact O-CB 3.44Å; A393-K396 PolarHBondContact O-N 2.95Å; A393-K396 VanDerWaalsContact O-N 3.11Å; A393-E397 WeakPolarHBondContact O-CG 3.37Å; A393-E397 PolarHBondContact O-N 3.27Å
394	E	97.8	Very high	95.5	Very high	95 Å²	95	72.6 Å²	72.6	44%	0.444	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-38.9	177.3	-60.5	178.3	-138.3	0	0	111.9	F302 I391 K396 E397 A398	F302-E394 HydrophobicContact CZ-CB 4.23Å; I391-E394 HydrophobicContact CB-CG 4.42Å; I391-E394 WeakPolarHBondContact CG2-OE1 3.26Å; I391-E394 WeakPolarHBondContact O-CB 3.49Å; I391-E394 PolarHBondContact O-N 2.69Å; E394-K396 VanDerWaalsContact C-N 3.31Å; E394-K396 PolarHBondContact O-N 2.7Å; E394-E397 PolarHBondContact O-N 2.86Å; E394-A398 PolarHBondContact O-N 3.49Å
395	V	97.2	Very high	95.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.2	-44.3	174.9	178.3	0	0	0	0	110.7	L184 C244 F302 I391 T392 A393 A398	L184-V395 HydrophobicContact CB-CG2 4.21Å; L184-V395 HydrophobicContact CD2-CG2 4.12Å; C244-V395 HydrophobicContact CB-CG1 4.36Å; C244-V395 VanDerWaalsContact SG-CG1 3.58Å; F302-V395 HydrophobicContact CD1-CG2 3.89Å; F302-V395 HydrophobicContact CD2-CB 4.36Å; F302-V395 HydrophobicContact CD2-CG1 4.48Å; F302-V395 HydrophobicContact CD2-CG2 4.16Å; F302-V395 HydrophobicContact CE1-CG2 3.8Å; F302-V395 HydrophobicContact CE2-CB 4.39Å; F302-V395 HydrophobicContact CE2-CG2 4.07Å; F302-V395 HydrophobicContact CG-CG1 4.49Å; F302-V395 HydrophobicContact CG-CG2 4.06Å; F302-V395 HydrophobicContact CZ-CG2 3.89Å; I391-V395 PolarHBondContact O-N 3.02Å; T392-V395 PolarHBondContact O-N 3.39Å; A393-V395 VanDerWaalsContact C-N 3.31Å; A393-V395 PolarHBondContact O-N 3.42Å; V395-A398 PolarHBondContact O-N 2.89Å
396	K	96.6	Very high	94.7	Very high	126 Å²	126	72.8 Å²	72.8	55%	0.548	41%	0.408	S	S	.	.	H	α-helix	trans	-66.1	-42.4	179.2	-173.7	-179	177.3	-175.3	0	111.7	D243 T392 A393 E394 A398 A399	D243-K396 HydrophobicContact CB-CB 4.31Å; T392-K396 PolarHBondContact O-N 3.41Å; T392-K396 VanDerWaalsContact O-N 3.07Å; A393-K396 WeakPolarHBondContact O-CB 3.44Å; A393-K396 PolarHBondContact O-N 2.95Å; A393-K396 VanDerWaalsContact O-N 3.11Å; E394-K396 VanDerWaalsContact C-N 3.31Å; E394-K396 PolarHBondContact O-N 2.7Å; K396-A398 VanDerWaalsContact C-N 3.3Å; K396-A398 PolarHBondContact O-N 3.46Å; K396-A399 PolarHBondContact O-N 3.01Å; K396-A399 VanDerWaalsContact O-N 3.17Å
397	E	97.3	Very high	94.2	Very high	155 Å²	155	69.2 Å²	69.2	72%	0.724	38%	0.384	S	S	*	.	H	α-helix	trans	-64.6	-32.4	178.6	-74.3	170.8	-169.7	0	0	112.7	A393 E394 A399	A393-E397 WeakPolarHBondContact O-CG 3.37Å; A393-E397 PolarHBondContact O-N 3.27Å; E394-E397 PolarHBondContact O-N 2.86Å; E397-A399 PolarHBondContact O-N 3.17Å; E397-A399 VanDerWaalsContact O-N 3.09Å
398	A	96.9	Very high	93.4	Very high	42 Å²	42	77.6 Å²	77.6	35%	0.347	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.4	175.2	0	0	0	0	0	113.7	F302 E394 V395 K396 I400	F302-A398 HydrophobicContact CD2-CB 3.83Å; F302-A398 HydrophobicContact CE2-CB 3.99Å; E394-A398 PolarHBondContact O-N 3.49Å; V395-A398 PolarHBondContact O-N 2.89Å; K396-A398 VanDerWaalsContact C-N 3.3Å; K396-A398 PolarHBondContact O-N 3.46Å; A398-I400 HydrophobicContact CB-CD1 4.15Å; A398-I400 HydrophobicContact CB-CG1 3.96Å; A398-I400 PolarHBondContact O-N 2.65Å
399	A	95.4	Very high	92.4	Very high	51 Å²	51	76.9 Å²	76.9	42%	0.421	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	35.7	171.5	0	0	0	0	0	114.7	K396 E397 K401	K396-A399 PolarHBondContact O-N 3.01Å; K396-A399 VanDerWaalsContact O-N 3.17Å; E397-A399 PolarHBondContact O-N 3.17Å; E397-A399 VanDerWaalsContact O-N 3.09Å; A399-K401 PolarHBondContact O-N 3.48Å; A399-K401 VanDerWaalsContact O-N 3.16Å
400	I	95.8	Very high	90.6	Very high	26 Å²	26	78.5 Å²	78.5	13%	0.133	41%	0.414	C	S	.	.			trans	-69.1	115.9	-171.8	-62.9	177.3	0	0	0	110.9	R298 L301 F302 A398	R298-I400 HydrophobicContact CG-CB 4.21Å; R298-I400 HydrophobicContact CG-CG2 4.38Å; R298-I400 PolarHBondContact NE-O 3.42Å; L301-I400 HydrophobicContact CB-CD1 4.45Å; L301-I400 HydrophobicContact CB-CG2 3.84Å; L301-I400 HydrophobicContact CD1-CG2 3.93Å; F302-I400 HydrophobicContact CB-CD1 3.68Å; F302-I400 HydrophobicContact CD2-CD1 4.14Å; F302-I400 HydrophobicContact CG-CD1 4.42Å; A398-I400 HydrophobicContact CB-CD1 4.15Å; A398-I400 HydrophobicContact CB-CG1 3.96Å; A398-I400 PolarHBondContact O-N 2.65Å
401	K	93.9	Very high	88.4	Confident	161 Å²	161	84 Å²	84	70%	0.7	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-80.8	131.8	171.5	-67.1	-178.1	-179	178.4	0	109.9	Y242 A399	Y242-K401 HydrophobicContact CE1-CG 3.99Å; A399-K401 PolarHBondContact O-N 3.48Å; A399-K401 VanDerWaalsContact O-N 3.16Å
402	L	93.1	Very high	87.9	Confident	49 Å²	49	87.6 Å²	87.6	26%	0.257	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-78.7	130.9	177.9	-66.6	178.7	0	0	0	110.2	K294 H297 R298 L301	K294-L402 HydrophobicContact CB-CD1 3.78Å; K294-L402 HydrophobicContact CG-CD1 4.02Å; K294-L402 WeakPolarHBondContact O-CD1 3.32Å; H297-L402 HydrophobicContact CB-CD2 4.01Å; R298-L402 HydrophobicContact CB-CD2 3.88Å; L301-L402 HydrophobicContact CD1-CD2 4.1Å
403	P	91.2	Very high	87.5	Confident	66 Å²	66	91.4 Å²	91.4	43%	0.429	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-66.3	154	168.4	28.2	-31.4	0	0	0	110.1	L405	P403-L405 PolarHBondContact O-N 3.49Å
404	P	86.8	Confident	86.9	Confident	138 Å²	138	92.9 Å²	92.9	90%	0.896	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-57.9	126.5	177.3	-21.8	32.3	0	0	0	111
405	L	86.4	Confident	86.3	Confident	47 Å²	47	92.8 Å²	92.8	25%	0.246	48%	0.482	C	S	.	.			trans	-124.3	119.4	177.5	-172.6	65.6	0	0	0	109.9	I334 V335 T338 P403 L407	I334-L405 HydrophobicContact CG2-CD1 4.08Å; I334-L405 HydrophobicContact CG2-CG 4.37Å; V335-L405 HydrophobicContact CB-CD2 4.47Å; V335-L405 HydrophobicContact CG2-CD2 3.71Å; T338-L405 HydrophobicContact CG2-CD1 3.94Å; T338-L405 WeakPolarHBondContact OG1-CD1 3.3Å; P403-L405 PolarHBondContact O-N 3.49Å; L405-L407 HydrophobicContact CD2-CD2 3.71Å; L405-L407 HydrophobicContact CG-CD2 3.99Å; L405-L407 PolarHBondContact O-N 2.98Å
406	K	85.7	Confident	85.6	Confident	165 Å²	165	98.6 Å²	98.6	72%	0.717	51%	0.512	S	S	*	.			trans	-80.1	101.3	175.8	-71.5	-177.4	-178.3	174.5	0	109.4	R408	K406-R408 PolarHBondContact O-N 2.92Å
407	L	83.9	Confident	84.9	Confident	25 Å²	25	96.8 Å²	96.8	13%	0.131	51%	0.51	C	S	.	.			trans	-79.4	65.5	176	-64.4	-176.2	0	0	0	111.6	R229 S290 A293 I331 L405	R229-L407 PolarHBondContact NH1-O 3.49Å; S290-L407 WeakPolarHBondContact OG-CD1 3.49Å; A293-L407 HydrophobicContact CB-CD1 4.16Å; A293-L407 HydrophobicContact CB-CD2 4.36Å; I331-L407 HydrophobicContact CD1-CB 3.86Å; I331-L407 HydrophobicContact CD1-CD2 4.31Å; I331-L407 HydrophobicContact CD1-CG 4.49Å; I331-L407 HydrophobicContact CG2-CD2 4.2Å; L405-L407 HydrophobicContact CD2-CD2 3.71Å; L405-L407 HydrophobicContact CG-CD2 3.99Å; L405-L407 PolarHBondContact O-N 2.98Å
408	R	79	Confident	84	Confident	180 Å²	180	92.6 Å²	92.6	68%	0.679	50%	0.495	S	S	*	.			trans	-99	107.3	174.3	-69.5	-173.7	-179.9	-172.7	-1.9	109.3	I334 K406	I334-R408 VanDerWaalsContact CD1-O 3.32Å; I334-R408 WeakPolarHBondContact CD1-O 3.47Å; K406-R408 PolarHBondContact O-N 2.92Å
409	V	74.9	Confident	83	Confident	20 Å²	20	96.5 Å²	96.5	12%	0.121	51%	0.506	C	S	.	.			trans	-80.9	119.1	167	-176.4	0	0	0	0	106.6	Y327 K330 I331	Y327-V409 HydrophobicContact CD2-CB 4.47Å; Y327-V409 HydrophobicContact CD2-CG1 4.35Å; Y327-V409 HydrophobicContact CD2-CG2 4.18Å; Y327-V409 HydrophobicContact CE1-CG2 4.45Å; Y327-V409 HydrophobicContact CE2-CB 3.9Å; Y327-V409 HydrophobicContact CE2-CG1 4.25Å; Y327-V409 HydrophobicContact CE2-CG2 3.63Å; K330-V409 HydrophobicContact CB-CG1 3.9Å; K330-V409 HydrophobicContact CB-CG2 4.35Å; K330-V409 HydrophobicContact CD-CG1 3.38Å; K330-V409 HydrophobicContact CG-CG1 4.28Å; I331-V409 HydrophobicContact CD1-CG2 3.35Å; I331-V409 HydrophobicContact CG1-CG2 3.61Å
410	T	60.8	Low	81.9	Confident	123 Å²	123	100.3 Å²	100.3	76%	0.755	51%	0.513	S	S	*	.			trans	-81.1	134	163.3	48.7	0	0	0	0	107.6	K330	K330-T410 PolarHBondContact NZ-O 2.86Å
411	D	51.8	Low	80.7	Confident	204 Å²	204	107.1 Å²	107.1	100%	1.091	55%	0.547	S	S	*	.			trans	-63.2	0	-179	-72.2	-41.2	0	0	0	112.5	K330	K330-D411 PolarHBondContact NZ-OXT 3.35Å

Retrieved 411 of 411 residues in 1116 ms (Link to these results)

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