A0A096NTX9_PAPAN Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A096NTX9, Species PAPAN (Papio anubis, Olive baboon), Gene PRKCA, Length 672 aa.

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(Predicted Aligned Error values between residue pairs)

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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	33.5	Very low	30.6	Very low	246 Å²	246	143.1 Å²	143.1	100%	1.212	84%	0.837	S	S	*	*				0	130.6	0	-135	174.7	-173.2	0	0	106.7
2	A	29.7	Very low	30.8	Very low	98 Å²	98	139.3 Å²	139.3	81%	0.81	84%	0.835	S	S	*	*			trans	74.6	117.5	165.5	0	0	0	0	0	119.5
3	D	30	Very low	31	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	84%	0.835	S	S	*	*			trans	-43.4	160.8	152.3	-59.9	-68.5	0	0	0	115
4	V	31	Very low	31	Very low	136 Å²	136	141.7 Å²	141.7	82%	0.824	84%	0.84	S	S	*	*				168.5	132.6	107.2	163	0	0	0	0	110.3
5	F	30.7	Very low	31.4	Very low	184 Å²	184	143 Å²	143	81%	0.807	84%	0.841	S	S	*	*			trans	-60.7	168.3	173.5	-73.5	-94.9	0	0	0	113.9
6	P	34.3	Very low	31.6	Very low	129 Å²	129	143.5 Å²	143.5	84%	0.838	85%	0.846	S	S	*	*				-138.5	159	94.8	28.7	-10.1	0	0	0	115.2
7	A	29	Very low	31.7	Very low	87 Å²	87	140.5 Å²	140.5	72%	0.719	84%	0.841	S	S	*	*			trans	-67.7	154.7	-177.1	0	0	0	0	0	114.5
8	N	28.4	Very low	31.8	Very low	149 Å²	149	142 Å²	142	80%	0.797	84%	0.844	S	S	*	*				-155.7	136.6	128.6	-121.9	15.3	0	0	0	113.2
9	D	28.4	Very low	32.2	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	85%	0.846	S	S	*	*			trans	58.8	106.8	157.6	-68.3	-32	0	0	0	122.2
10	S	29.8	Very low	32.7	Very low	108 Å²	108	150.1 Å²	150.1	76%	0.755	85%	0.85	S	S	*	*			trans	-92.9	121.4	162.8	50	0	0	0	0	109.1
11	T	31.9	Very low	33.1	Very low	144 Å²	144	147.4 Å²	147.4	88%	0.883	85%	0.846	S	S	*	*			trans	174.2	89.5	143.1	27.7	0	0	0	0	109.3
12	A	33.4	Very low	33.3	Very low	98 Å²	98	147.8 Å²	147.8	81%	0.81	83%	0.834	S	S	*	*			trans	162.4	93.1	147.4	0	0	0	0	0	109.9
13	S	32.3	Very low	33.6	Very low	119 Å²	119	152.6 Å²	152.6	83%	0.832	84%	0.837	S	S	*	*			trans	-178.5	76.7	154.2	33.1	0	0	0	0	111.1
14	Q	31.2	Very low	34.1	Very low	193 Å²	193	149.1 Å²	149.1	90%	0.902	84%	0.837	S	S	*	*			trans	-133.6	56.3	159.5	-89.4	-172	-16.5	0	0	109.5
15	D	37.1	Very low	34	Very low	161 Å²	161	147.3 Å²	147.3	86%	0.861	84%	0.836	S	S	*	*	S	Bend	trans	-148.2	19.1	176.7	-108	-23.4	0	0	0	116.4
16	V	35	Very low	34.4	Very low	151 Å²	151	146.8 Å²	146.8	92%	0.915	84%	0.841	S	S	*	*	S	Bend	trans	-137.1	51.6	175.3	-159.2	0	0	0	0	112.2
17	A	33.8	Very low	34.7	Very low	92 Å²	92	152 Å²	152	76%	0.76	84%	0.843	S	S	*	*	S	Bend	trans	-145.6	56.2	166.9	0	0	0	0	0	110.4
18	N	32.7	Very low	35.3	Very low	168 Å²	168	156.5 Å²	156.5	90%	0.898	85%	0.85	S	S	*	*			trans	-159.5	48	170.2	-107.3	-16.3	0	0	0	113.4
19	R	39.2	Very low	36.6	Very low	232 Å²	232	154.4 Å²	154.4	88%	0.875	83%	0.834	S	S	*	*			trans	-129.2	137.2	162.6	-71.3	-175.3	-179.8	-177.6	0.6	108
20	F	42.8	Very low	38.7	Very low	214 Å²	214	153.8 Å²	153.8	94%	0.939	83%	0.83	S	S	*	*	S	Bend	trans	88.9	53.8	-172.6	-54.4	-77.9	0	0	0	117.2
21	A	40.6	Very low	41.2	Very low	93 Å²	93	152 Å²	152	77%	0.769	81%	0.814	S	S	*	*			trans	-160.6	80.5	145	0	0	0	0	0	110.9
22	R	38.8	Very low	43.7	Very low	254 Å²	254	147.2 Å²	147.2	96%	0.958	78%	0.782	S	S	*	*			trans	-110.8	96.3	153.2	-79.1	-170.2	-178.3	177.5	1.7	108.1
23	K	34.8	Very low	46.3	Very low	199 Å²	199	148.6 Å²	148.6	87%	0.865	77%	0.772	S	S	*	*			trans	-39.2	138.7	162.7	-74.1	172.3	167.1	175	0	110	A25	K23-A25 PolarHBondContact O-N 3.27Å; K23-A25 VanDerWaalsContact O-N 3.1Å
24	G	40	Very low	48.8	Very low	76 Å²	76	144.1 Å²	144.1	78%	0.784	74%	0.739	S	S	*	*			trans	-50.1	115.9	176.3	0	0	0	0	0	111.5	L26	G24-L26 PolarHBondContact O-N 3.37Å
25	A	30.8	Very low	51.2	Low	98 Å²	98	138.6 Å²	138.6	81%	0.81	71%	0.712	S	S	*	*			trans	-74.1	99.3	160.6	0	0	0	0	0	106.9	K23 R27	K23-A25 PolarHBondContact O-N 3.27Å; K23-A25 VanDerWaalsContact O-N 3.1Å; A25-R27 PolarHBondContact O-N 3.27Å
26	L	38.2	Very low	53.6	Low	173 Å²	173	134.8 Å²	134.8	91%	0.906	69%	0.692	S	S	*	*			trans	-57.7	107.7	163.7	-89.6	149.9	0	0	0	107.2	G24 Q28	G24-L26 PolarHBondContact O-N 3.37Å; L26-Q28 PolarHBondContact O-N 3.5Å
27	R	40.3	Very low	56.1	Low	237 Å²	237	127.6 Å²	127.6	89%	0.894	65%	0.649	S	S	*	*			trans	-60.6	107.5	172.7	-145.3	176.7	-178.7	178.1	-0.1	106.6	A25 K29	A25-R27 PolarHBondContact O-N 3.27Å; R27-K29 PolarHBondContact O-N 3.49Å
28	Q	42.2	Very low	58.8	Low	182 Å²	182	127.6 Å²	127.6	85%	0.85	63%	0.631	S	S	*	*			trans	-53.8	117	179	-159.2	168.7	7.6	0	0	107.6	L26 N30	L26-Q28 PolarHBondContact O-N 3.5Å; Q28-N30 PolarHBondContact O-N 2.9Å
29	K	55.3	Low	61.6	Low	106 Å²	106	119.6 Å²	119.6	46%	0.461	59%	0.588	S	S	.	*			trans	-66.2	124.9	178.2	-69.5	178.6	-178	173.5	0	106.4	R27 V31	R27-K29 PolarHBondContact O-N 3.49Å; K29-V31 WeakPolarHBondContact O-CG2 3.35Å; K29-V31 PolarHBondContact O-N 3.22Å
30	N	72.4	Confident	63.9	Low	131 Å²	131	108.6 Å²	108.6	70%	0.701	55%	0.547	S	S	*	.			trans	-55.9	112.7	171.8	-66.9	-11.2	0	0	0	108.4	Q28	Q28-N30 PolarHBondContact O-N 2.9Å
31	V	82.8	Confident	65.9	Low	71 Å²	71	99.5 Å²	99.5	43%	0.43	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.9	174.5	-177.2	0	0	0	0	107	K29 K38 F39 I40	K29-V31 WeakPolarHBondContact O-CG2 3.35Å; K29-V31 PolarHBondContact O-N 3.22Å; V31-K38 HydrophobicContact CG1-CB 3.79Å; V31-K38 HydrophobicContact CG1-CG 4.28Å; V31-F39 WeakPolarHBondContact CA-O 3.29Å; V31-I40 HydrophobicContact CG2-CG2 3.96Å
32	H	84.9	Confident	67.8	Low	43 Å²	43	100 Å²	100	20%	0.199	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.1	173.9	-66.1	-105.3	0	0	0	107.8	H37 F39 F65 H79	H32-H37 VanDerWaalsContact O-O 3.1Å; H32-F39 HydrophobicContact CB-CB 4.18Å; H32-F39 PolarHBondContact N-O 3.43Å; H32-F39 WeakPolarHBondContact O-CB 3.38Å; H32-F39 PolarHBondContact O-N 3.34Å; H32-F65 HydrophobicContact CB-CE2 4.18Å; H32-F65 AromaticContact CD2-CE2 3.67Å; H32-F65 AromaticContact CD2-CZ 3.61Å; H32-F65 AromaticContact CG-CE2 3.72Å; H32-F65 AromaticContact NE2-CZ 3.59Å; H32-H79 AromaticContact CG-NE2 3.95Å; H32-H79 AromaticContact ND1-NE2 3.62Å
33	E	87.2	Confident	69.7	Low	127 Å²	127	93.1 Å²	93.1	59%	0.593	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.8	-178.8	-166.1	155.3	-146.7	0	0	109.8	H37 K38	E33-H37 VanDerWaalsContact CA-O 3.3Å; E33-H37 WeakPolarHBondContact CA-O 3.46Å; E33-K38 VanDerWaalsContact OE1-CE 3.27Å; E33-K38 WeakPolarHBondContact OE1-CE 3.48Å
34	V	84.6	Confident	71.7	Confident	26 Å²	26	84.7 Å²	84.7	16%	0.158	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.1	179.3	-178.9	0	0	0	0	108.1	D36 H37 F39 H79	V34-D36 VanDerWaalsContact C-N 3.26Å; V34-D36 PolarHBondContact O-N 3.06Å; V34-H37 PolarHBondContact N-O 3.42Å; V34-H37 VanDerWaalsContact N-O 3.08Å; V34-H37 WeakPolarHBondContact O-CA 3.35Å; V34-H37 VanDerWaalsContact O-CB 3.23Å; V34-H37 WeakPolarHBondContact O-CB 3.29Å; V34-H37 PolarHBondContact O-N 3.22Å; V34-F39 HydrophobicContact CB-CD2 4.39Å; V34-F39 HydrophobicContact CB-CE2 4.27Å; V34-H79 WeakPolarHBondContact CG1-O 3.44Å
35	K	82.5	Confident	73	Confident	77 Å²	77	90.4 Å²	90.4	34%	0.335	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	51.2	-178.1	-57.5	-68	-172.6	173.2	0	111.5	H37 F84 S85 C86 G293 D294	K35-H37 PolarHBondContact O-CD2 3.46Å; K35-H37 PolarHBondContact O-N 3.44Å; K35-F84 VanDerWaalsContact CB-O 3.28Å; K35-F84 WeakPolarHBondContact CB-O 3.28Å; K35-S85 CarbonylContact O-C 3.54Å; K35-S85 VanDerWaalsContact O-CA 3.25Å; K35-S85 WeakPolarHBondContact O-CA 3.39Å; K35-C86 PolarHBondContact O-N 2.94Å; K35-G293 PolarHBondContact NZ-O 2.92Å; K35-D294 WeakPolarHBondContact CE-OD1 3.39Å; K35-D294 IonicContact NZ-OD1 2.72Å; K35-D294 PolarHBondContact NZ-OD1 3.48Å
36	D	86.8	Confident	75.1	Confident	81 Å²	81	88.8 Å²	88.8	43%	0.433	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	0.4	-178.3	-42.5	-54.6	0	0	0	115.7	V34 K38 S85 C86 A89	V34-D36 VanDerWaalsContact C-N 3.26Å; V34-D36 PolarHBondContact O-N 3.06Å; D36-K38 PolarHBondContact O-N 3.43Å; D36-S85 PolarHBondContact OD2-OG 3.23Å; D36-C86 VanDerWaalsContact C-CB 3.48Å; D36-C86 HydrophobicContact CB-CB 4.16Å; D36-C86 WeakPolarHBondContact O-CB 3.45Å; D36-A89 HydrophobicContact CB-CB 3.69Å; D36-A89 WeakPolarHBondContact O-CB 3.45Å
37	H	87.3	Confident	76.9	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.5	169.7	-70.6	-94.3	0	0	0	110.4	H32 E33 V34 K35 F39 C67 C70 F84 C86	H32-H37 VanDerWaalsContact O-O 3.1Å; E33-H37 VanDerWaalsContact CA-O 3.3Å; E33-H37 WeakPolarHBondContact CA-O 3.46Å; V34-H37 PolarHBondContact N-O 3.42Å; V34-H37 VanDerWaalsContact N-O 3.08Å; V34-H37 WeakPolarHBondContact O-CA 3.35Å; V34-H37 VanDerWaalsContact O-CB 3.23Å; V34-H37 WeakPolarHBondContact O-CB 3.29Å; V34-H37 PolarHBondContact O-N 3.22Å; K35-H37 PolarHBondContact O-CD2 3.46Å; K35-H37 PolarHBondContact O-N 3.44Å; H37-F39 HydrophobicContact CB-CD2 3.77Å; H37-F39 HydrophobicContact CB-CE1 4.33Å; H37-F39 HydrophobicContact CB-CE2 3.31Å; H37-F39 HydrophobicContact CB-CG 4.46Å; H37-F39 HydrophobicContact CB-CZ 3.61Å; H37-F39 AromaticContact CG-CE2 3.93Å; H37-F39 AromaticContact CG-CZ 3.82Å; H37-F39 AromaticContact ND1-CZ 4Å; H37-F39 PolarHBondContact O-N 3.32Å; H37-C67 HydrophobicContact CB-CB 4.4Å; H37-C67 PolarHBondContact ND1-SG 2.83Å; H37-C67 VanDerWaalsContact ND1-SG 3.44Å; H37-C70 PolarHBondContact CE1-SG 2.92Å; H37-C70 PolarHBondContact ND1-SG 3.39Å; H37-C70 VanDerWaalsContact ND1-SG 3.36Å; H37-F84 AromaticContact CE1-CE2 3.76Å; H37-F84 AromaticContact NE2-CD2 3.77Å; H37-F84 AromaticContact NE2-CE2 3.44Å; H37-F84 WeakPolarHBondContact NE2-CE2 3.21Å; H37-F84 PolarHBondContact NE2-O 3.38Å; H37-C86 HydrophobicContact CB-CB 4.29Å; H37-C86 WeakPolarHBondContact NE2-CA 3.43Å
38	K	90.2	Very high	78.9	Confident	91 Å²	91	73 Å²	73	40%	0.396	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	84.2	172.2	-64.5	179.2	-176.2	175.2	0	110.6	V31 E33 D36 C67 Q68	V31-K38 HydrophobicContact CG1-CB 3.79Å; V31-K38 HydrophobicContact CG1-CG 4.28Å; E33-K38 VanDerWaalsContact OE1-CE 3.27Å; E33-K38 WeakPolarHBondContact OE1-CE 3.48Å; D36-K38 PolarHBondContact O-N 3.43Å; K38-C67 CarbonylContact O-C 3.51Å; K38-C67 WeakPolarHBondContact O-CA 3.33Å; K38-Q68 PolarHBondContact O-N 3.32Å
39	F	92.1	Very high	81.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.5	-178.8	-72.7	-66.2	0	0	0	112.4	V31 H32 V34 H37 F65 C67 F72 V74 H79 V82	V31-F39 WeakPolarHBondContact CA-O 3.29Å; H32-F39 HydrophobicContact CB-CB 4.18Å; H32-F39 PolarHBondContact N-O 3.43Å; H32-F39 WeakPolarHBondContact O-CB 3.38Å; H32-F39 PolarHBondContact O-N 3.34Å; V34-F39 HydrophobicContact CB-CD2 4.39Å; V34-F39 HydrophobicContact CB-CE2 4.27Å; H37-F39 HydrophobicContact CB-CD2 3.77Å; H37-F39 HydrophobicContact CB-CE1 4.33Å; H37-F39 HydrophobicContact CB-CE2 3.31Å; H37-F39 HydrophobicContact CB-CG 4.46Å; H37-F39 HydrophobicContact CB-CZ 3.61Å; H37-F39 AromaticContact CG-CE2 3.93Å; H37-F39 AromaticContact CG-CZ 3.82Å; H37-F39 AromaticContact ND1-CZ 4Å; H37-F39 PolarHBondContact O-N 3.32Å; F39-F65 HydrophobicContact CB-CB 4.04Å; F39-F65 HydrophobicContact CB-CD2 3.92Å; F39-F65 HydrophobicContact CB-CG 4.23Å; F39-F65 HydrophobicContact CD1-CB 4.01Å; F39-F65 HydrophobicContact CG-CB 4.27Å; F39-C67 HydrophobicContact CD1-CB 4.04Å; F39-C67 HydrophobicContact CE1-CB 3.87Å; F39-F72 HydrophobicContact CE1-CD1 4.24Å; F39-F72 HydrophobicContact CZ-CD1 4.08Å; F39-V74 HydrophobicContact CD1-CG2 4.1Å; F39-V74 HydrophobicContact CE1-CG2 3.71Å; F39-V74 HydrophobicContact CZ-CG2 4.09Å; F39-H79 HydrophobicContact CD2-CB 3.98Å; F39-H79 HydrophobicContact CE2-CB 4.13Å; F39-H79 HydrophobicContact CG-CB 4.29Å; F39-V82 HydrophobicContact CE2-CG2 4.43Å; F39-V82 HydrophobicContact CZ-CG2 4.15Å
40	I	87.4	Confident	82.6	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142	171.7	57.2	163.7	0	0	0	111.1	V31 R42 F65 Q66 Q68	V31-I40 HydrophobicContact CG2-CG2 3.96Å; I40-R42 HydrophobicContact CD1-CG 4.36Å; I40-R42 HydrophobicContact CG1-CG 4.31Å; I40-R42 PolarHBondContact O-N 2.9Å; I40-F65 WeakPolarHBondContact O-CA 3.31Å; I40-Q66 WeakPolarHBondContact CG1-O 3.5Å; I40-Q66 PolarHBondContact N-O 2.69Å; I40-Q66 PolarHBondContact O-N 2.77Å; I40-Q68 HydrophobicContact CB-CG 4.3Å; I40-Q68 HydrophobicContact CD1-CG 3.68Å; I40-Q68 HydrophobicContact CG1-CG 3.64Å; I40-Q68 VanDerWaalsContact CG2-CD 3.49Å; I40-Q68 HydrophobicContact CG2-CG 3.74Å
41	A	84.5	Confident	83.4	Confident	22 Å²	22	56.7 Å²	56.7	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	122.3	172.9	0	0	0	0	0	111.2	K62 F65	A41-K62 HydrophobicContact CB-CB 4.27Å; A41-K62 HydrophobicContact CB-CD 3.52Å; A41-K62 WeakPolarHBondContact O-CD 3.45Å; A41-F65 HydrophobicContact CB-CD1 3.94Å; A41-F65 HydrophobicContact CB-CE1 3.65Å
42	R	80.8	Confident	83.6	Confident	103 Å²	103	53.6 Å²	53.6	39%	0.389	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.2	-178.9	-81.2	-72.3	-171.2	176.6	2.5	111.6	I40 F44 K62 Q63 G64 Q66	I40-R42 HydrophobicContact CD1-CG 4.36Å; I40-R42 HydrophobicContact CG1-CG 4.31Å; I40-R42 PolarHBondContact O-N 2.9Å; R42-F44 HydrophobicContact CB-CE1 4.01Å; R42-F44 HydrophobicContact CB-CE2 4.24Å; R42-F44 HydrophobicContact CB-CZ 3.83Å; R42-K62 CarbonylContact O-C 3.55Å; R42-K62 VanDerWaalsContact O-C 3.27Å; R42-K62 WeakPolarHBondContact O-CA 3.39Å; R42-K62 WeakPolarHBondContact O-CB 3.09Å; R42-Q63 PolarHBondContact O-N 3.13Å; R42-G64 PolarHBondContact N-O 2.84Å; R42-G64 PolarHBondContact O-N 2.9Å; R42-Q66 HydrophobicContact CB-CB 4.38Å; R42-Q66 HydrophobicContact CG-CB 3.85Å
43	F	78.4	Confident	83.4	Confident	111 Å²	111	51.7 Å²	51.7	49%	0.487	25%	0.245	S	C	.	.			trans	-95.5	125.8	162.1	-179.9	-111.9	0	0	0	106.9	K45 G61	F43-K45 HydrophobicContact CD1-CG 3.98Å; F43-K45 HydrophobicContact CE1-CG 3.96Å; F43-G61 WeakPolarHBondContact CD2-O 3.42Å
44	F	76.8	Confident	83.1	Confident	21 Å²	21	48.1 Å²	48.1	9%	0.092	23%	0.232	C	C	.	.			trans	-101	111.8	178.4	-59.3	-74.2	0	0	0	107.5	R42 Q46 T48 I57 Q63 Q66 V73	R42-F44 HydrophobicContact CB-CE1 4.01Å; R42-F44 HydrophobicContact CB-CE2 4.24Å; R42-F44 HydrophobicContact CB-CZ 3.83Å; F44-Q46 PolarHBondContact O-N 3.45Å; F44-T48 WeakPolarHBondContact CB-OG1 3.43Å; F44-T48 HydrophobicContact CD1-CG2 4.12Å; F44-T48 HydrophobicContact CE1-CG2 4.42Å; F44-T48 HydrophobicContact CG-CG2 4.21Å; F44-I57 HydrophobicContact CD2-CG2 4.44Å; F44-I57 HydrophobicContact CE2-CD1 4.27Å; F44-Q63 HydrophobicContact CD2-CB 4.25Å; F44-Q63 PolarHBondContact O-OE1 3.34Å; F44-Q66 HydrophobicContact CE1-CB 4.29Å; F44-Q66 HydrophobicContact CZ-CB 4.16Å; F44-V73 HydrophobicContact CE1-CG1 3.93Å; F44-V73 HydrophobicContact CE1-CG2 3.74Å; F44-V73 HydrophobicContact CE2-CG1 3.98Å; F44-V73 HydrophobicContact CZ-CB 4.34Å; F44-V73 HydrophobicContact CZ-CG1 3.48Å; F44-V73 VanDerWaalsContact CZ-CG1 3.48Å; F44-V73 HydrophobicContact CZ-CG2 3.89Å
45	K	68.3	Low	82.8	Confident	197 Å²	197	49.7 Å²	49.7	86%	0.857	24%	0.24	S	C	*	.	S	Bend	trans	-72.5	-19	-177	-64.1	-178.9	178.1	-179.6	0	112.9	F43	F43-K45 HydrophobicContact CD1-CG 3.98Å; F43-K45 HydrophobicContact CE1-CG 3.96Å
46	Q	74.1	Confident	82.7	Confident	64 Å²	64	50.3 Å²	50.3	30%	0.299	24%	0.243	S	C	.	.	S	Bend	trans	-112.8	156.1	179.3	60.6	178	-69.1	0	0	109.9	F44 T48 Y123	F44-Q46 PolarHBondContact O-N 3.45Å; Q46-T48 PolarHBondContact O-N 2.83Å; Q46-T48 VanDerWaalsContact O-N 3.12Å; Q46-T48 PolarHBondContact O-OG1 2.85Å; Q46-Y123 PolarHBondContact OE1-OH 3.27Å; Q46-Y123 VanDerWaalsContact OE1-OH 3.11Å
47	P	77.2	Confident	82.3	Confident	77 Å²	77	46.6 Å²	46.6	50%	0.5	22%	0.223	S	C	.	.			trans	-53.6	120.7	171.7	-25.8	35	0	0	0	111	F56 F114	P47-F56 HydrophobicContact CB-CE2 3.73Å; P47-F56 HydrophobicContact CB-CZ 4.35Å; P47-F114 HydrophobicContact CB-CE1 4.31Å; P47-F114 WeakPolarHBondContact O-CE1 3.22Å
48	T	81.9	Confident	81.2	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	25%	0.248	C	C	.	.			trans	-131	132.8	-175.1	-56.2	0	0	0	0	109.9	F44 Q46 F56 I57 V73 G119	F44-T48 WeakPolarHBondContact CB-OG1 3.43Å; F44-T48 HydrophobicContact CD1-CG2 4.12Å; F44-T48 HydrophobicContact CE1-CG2 4.42Å; F44-T48 HydrophobicContact CG-CG2 4.21Å; Q46-T48 PolarHBondContact O-N 2.83Å; Q46-T48 VanDerWaalsContact O-N 3.12Å; Q46-T48 PolarHBondContact O-OG1 2.85Å; T48-F56 WeakPolarHBondContact O-CD2 3.37Å; T48-I57 HydrophobicContact CG2-CD1 4.37Å; T48-I57 WeakPolarHBondContact O-CB 3.31Å; T48-I57 WeakPolarHBondContact O-CG1 3.37Å; T48-I57 PolarHBondContact O-N 3.36Å; T48-V73 HydrophobicContact CG2-CB 4.44Å; T48-V73 HydrophobicContact CG2-CG1 3.64Å; T48-G119 WeakPolarHBondContact CA-O 3.49Å
49	F	87	Confident	79.6	Confident	65 Å²	65	50.7 Å²	50.7	29%	0.285	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-100.5	148.3	179.4	-70.2	-97.2	0	0	0	111.3	S51 T54 F56 F114 G119	F49-S51 PolarHBondContact O-N 2.75Å; F49-T54 WeakPolarHBondContact CD1-O 3.43Å; F49-F56 HydrophobicContact CD1-CB 4.1Å; F49-F56 HydrophobicContact CD2-CD2 4.49Å; F49-F56 HydrophobicContact CE1-CB 3.78Å; F49-F56 HydrophobicContact CE1-CD2 4.26Å; F49-F56 HydrophobicContact CE1-CG 4.47Å; F49-F56 HydrophobicContact CE2-CD2 4.17Å; F49-F56 HydrophobicContact CZ-CB 4.32Å; F49-F56 HydrophobicContact CZ-CD2 4.06Å; F49-F114 HydrophobicContact CD2-CB 4.2Å; F49-F114 AromaticContact CD2-CD1 3.68Å; F49-F114 HydrophobicContact CD2-CD1 3.68Å; F49-F114 AromaticContact CD2-CD2 3.91Å; F49-F114 HydrophobicContact CD2-CD2 3.91Å; F49-F114 HydrophobicContact CD2-CE1 4.02Å; F49-F114 HydrophobicContact CD2-CE2 4.23Å; F49-F114 AromaticContact CD2-CG 3.64Å; F49-F114 HydrophobicContact CD2-CG 3.64Å; F49-F114 HydrophobicContact CD2-CZ 4.28Å; F49-F114 AromaticContact CE2-CD1 3.94Å; F49-F114 HydrophobicContact CE2-CD1 3.94Å; F49-F114 AromaticContact CE2-CD2 3.72Å; F49-F114 HydrophobicContact CE2-CD2 3.72Å; F49-F114 AromaticContact CE2-CE1 3.83Å; F49-F114 HydrophobicContact CE2-CE1 3.83Å; F49-F114 AromaticContact CE2-CE2 3.61Å; F49-F114 HydrophobicContact CE2-CE2 3.61Å; F49-F114 AromaticContact CE2-CG 3.91Å; F49-F114 HydrophobicContact CE2-CG 3.91Å; F49-F114 AromaticContact CE2-CZ 3.67Å; F49-F114 HydrophobicContact CE2-CZ 3.67Å; F49-F114 HydrophobicContact CZ-CE2 4.44Å; F49-G119 PolarHBondContact N-O 3.37Å; F49-G119 WeakPolarHBondContact O-CA 3.45Å
50	C	88.4	Confident	77.2	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.007	29%	0.292	C	S	.	.			trans	-74.1	123.4	177.1	173.8	0	0	0	0	110.1	H52 C53 T54 D55 I57 V74 H75	C50-H52 PolarHBondContact O-N 2.93Å; C50-H52 VanDerWaalsContact O-N 3.11Å; C50-H52 PolarHBondContact SG-N 3.17Å; C50-H52 VanDerWaalsContact SG-N 3.42Å; C50-C53 PolarHBondContact SG-N 3.29Å; C50-T54 WeakPolarHBondContact O-CA 3.41Å; C50-T54 PolarHBondContact O-N 3.13Å; C50-D55 WeakPolarHBondContact CB-O 3.38Å; C50-D55 PolarHBondContact N-O 2.68Å; C50-I57 HydrophobicContact CB-CD1 4.15Å; C50-I57 HydrophobicContact CB-CG1 3.96Å; C50-V74 VanDerWaalsContact SG-CA 3.54Å; C50-H75 WeakPolarHBondContact CB-CE1 3.37Å; C50-H75 WeakPolarHBondContact CB-ND1 3.48Å; C50-H75 PolarHBondContact SG-N 2.87Å; C50-H75 VanDerWaalsContact SG-N 3.41Å
51	S	88.3	Confident	75.9	Confident	10 Å²	10	63 Å²	63	7%	0.07	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.2	-178.9	-50.2	0	0	0	0	113.6	F49 V73 D116 H117	F49-S51 PolarHBondContact O-N 2.75Å; S51-V73 WeakPolarHBondContact CB-O 3.5Å; S51-V73 PolarHBondContact N-O 3.03Å; S51-V73 PolarHBondContact OG-O 3.18Å; S51-D116 VanDerWaalsContact CB-O 3.25Å; S51-D116 WeakPolarHBondContact CB-O 3.48Å; S51-H117 VanDerWaalsContact OG-C 3.26Å; S51-H117 PolarHBondContact OG-O 3.23Å
52	H	86.6	Confident	74.6	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.028	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-47.9	177.1	174.7	78.7	0	0	0	113.2	C50 V74 C78 F81 T156 N182	C50-H52 PolarHBondContact O-N 2.93Å; C50-H52 VanDerWaalsContact O-N 3.11Å; C50-H52 PolarHBondContact SG-N 3.17Å; C50-H52 VanDerWaalsContact SG-N 3.42Å; H52-V74 HydrophobicContact CB-CG1 3.91Å; H52-C78 HydrophobicContact CB-CB 4.26Å; H52-F81 PolarHBondContact CE1-O 3.07Å; H52-F81 VanDerWaalsContact CE1-O 3.25Å; H52-T156 WeakPolarHBondContact O-CB 3.48Å; H52-N182 PolarHBondContact NE2-ND2 2.86Å
53	C	81.7	Confident	74.1	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.02	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-5.3	-179.9	68.8	0	0	0	0	114	C50 D55 H75	C50-C53 PolarHBondContact SG-N 3.29Å; C53-D55 PolarHBondContact O-N 2.77Å; C53-D55 VanDerWaalsContact O-N 3.14Å; C53-H75 PolarHBondContact SG-CE1 3.18Å; C53-H75 PolarHBondContact SG-ND1 2.7Å
54	T	81.4	Confident	74.4	Confident	53 Å²	53	58.4 Å²	58.4	33%	0.325	29%	0.291	S	S	.	.			trans	64	3.7	-177.7	62.3	0	0	0	0	115.9	F49 C50 K158	F49-T54 WeakPolarHBondContact CD1-O 3.43Å; C50-T54 WeakPolarHBondContact O-CA 3.41Å; C50-T54 PolarHBondContact O-N 3.13Å; T54-K158 HydrophobicContact CG2-CD 4.45Å
55	D	77.9	Confident	75.1	Confident	59 Å²	59	57.9 Å²	57.9	32%	0.316	29%	0.289	S	S	.	.			trans	-84.2	155.8	176.7	-68.2	-25.1	0	0	0	112.7	C50 C53 H75	C50-D55 WeakPolarHBondContact CB-O 3.38Å; C50-D55 PolarHBondContact N-O 2.68Å; C53-D55 PolarHBondContact O-N 2.77Å; C53-D55 VanDerWaalsContact O-N 3.14Å; D55-H75 PolarHBondContact O-CE1 3.3Å
56	F	79.5	Confident	76.2	Confident	90 Å²	90	50.7 Å²	50.7	40%	0.395	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-61.4	134.4	178.1	-175.6	-124.8	0	0	0	112.2	P47 T48 F49 W58 H75	P47-F56 HydrophobicContact CB-CE2 3.73Å; P47-F56 HydrophobicContact CB-CZ 4.35Å; T48-F56 WeakPolarHBondContact O-CD2 3.37Å; F49-F56 HydrophobicContact CD1-CB 4.1Å; F49-F56 HydrophobicContact CD2-CD2 4.49Å; F49-F56 HydrophobicContact CE1-CB 3.78Å; F49-F56 HydrophobicContact CE1-CD2 4.26Å; F49-F56 HydrophobicContact CE1-CG 4.47Å; F49-F56 HydrophobicContact CE2-CD2 4.17Å; F49-F56 HydrophobicContact CZ-CB 4.32Å; F49-F56 HydrophobicContact CZ-CD2 4.06Å; F56-W58 HydrophobicContact CD1-CB 3.81Å; F56-W58 HydrophobicContact CE1-CB 3.81Å; F56-W58 PolarHBondContact O-N 2.93Å; F56-H75 PolarHBondContact O-NE2 3.2Å
57	I	77.7	Confident	77.1	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.244	C	C	.	.			trans	-90.2	105.7	175.8	-51.1	-178	0	0	0	109.2	F44 T48 C50 Q63 V73 H75	F44-I57 HydrophobicContact CD2-CG2 4.44Å; F44-I57 HydrophobicContact CE2-CD1 4.27Å; T48-I57 HydrophobicContact CG2-CD1 4.37Å; T48-I57 WeakPolarHBondContact O-CB 3.31Å; T48-I57 WeakPolarHBondContact O-CG1 3.37Å; T48-I57 PolarHBondContact O-N 3.36Å; C50-I57 HydrophobicContact CB-CD1 4.15Å; C50-I57 HydrophobicContact CB-CG1 3.96Å; I57-Q63 VanDerWaalsContact CG2-C 3.49Å; I57-Q63 HydrophobicContact CG2-CB 3.76Å; I57-Q63 VanDerWaalsContact CG2-O 3.31Å; I57-Q63 WeakPolarHBondContact CG2-O 3.43Å; I57-V73 HydrophobicContact CD1-CG1 3.36Å; I57-H75 WeakPolarHBondContact CA-NE2 3.45Å
58	W	65.7	Low	77.6	Confident	143 Å²	143	49.2 Å²	49.2	54%	0.542	25%	0.245	S	C	.	.			trans	-121	161	-177.3	68.1	-79.3	0	0	0	112.4	F56	F56-W58 HydrophobicContact CD1-CB 3.81Å; F56-W58 HydrophobicContact CE1-CB 3.81Å; F56-W58 PolarHBondContact O-N 2.93Å
59	G	56.2	Low	77.8	Confident	34 Å²	34	51.7 Å²	51.7	35%	0.351	26%	0.26	S	S	.	.			trans	142.4	159.9	177.1	0	0	0	0	0	114	Q63	G59-Q63 WeakPolarHBondContact O-CG 3.28Å
60	F	42.5	Very low	77.7	Confident	220 Å²	220	48.6 Å²	48.6	97%	0.965	25%	0.246	S	C	*	.	S	Bend	trans	-79.1	126.8	176.2	-61.1	-80.1	0	0	0	111.1
61	G	58.6	Low	77.8	Confident	41 Å²	41	51.1 Å²	51.1	42%	0.423	26%	0.263	S	S	.	.	S	Bend	trans	76.6	-152.8	-176.2	0	0	0	0	0	112.4	F43 Q63	F43-G61 WeakPolarHBondContact CD2-O 3.42Å; G61-Q63 WeakPolarHBondContact O-CG 3.32Å; G61-Q63 PolarHBondContact O-N 2.69Å
62	K	58.8	Low	77.9	Confident	101 Å²	101	50.9 Å²	50.9	44%	0.439	26%	0.261	S	S	.	.	S	Bend	trans	-54.9	104.5	-175.7	-62.1	-178.1	179.9	-172.1	0	111.5	A41 R42 K76	A41-K62 HydrophobicContact CB-CB 4.27Å; A41-K62 HydrophobicContact CB-CD 3.52Å; A41-K62 WeakPolarHBondContact O-CD 3.45Å; R42-K62 CarbonylContact O-C 3.55Å; R42-K62 VanDerWaalsContact O-C 3.27Å; R42-K62 WeakPolarHBondContact O-CA 3.39Å; R42-K62 WeakPolarHBondContact O-CB 3.09Å; K62-K76 WeakPolarHBondContact O-CE 3.11Å; K62-K76 PolarHBondContact O-NZ 2.89Å
63	Q	69.6	Low	78.2	Confident	38 Å²	38	50.7 Å²	50.7	18%	0.178	26%	0.26	C	S	.	.			trans	-79.1	-33.2	-168.9	-71.4	134.6	-33.2	0	0	113.4	R42 F44 I57 G59 G61	R42-Q63 PolarHBondContact O-N 3.13Å; F44-Q63 HydrophobicContact CD2-CB 4.25Å; F44-Q63 PolarHBondContact O-OE1 3.34Å; I57-Q63 VanDerWaalsContact CG2-C 3.49Å; I57-Q63 HydrophobicContact CG2-CB 3.76Å; I57-Q63 VanDerWaalsContact CG2-O 3.31Å; I57-Q63 WeakPolarHBondContact CG2-O 3.43Å; G59-Q63 WeakPolarHBondContact O-CG 3.28Å; G61-Q63 WeakPolarHBondContact O-CG 3.32Å; G61-Q63 PolarHBondContact O-N 2.69Å
64	G	84.3	Confident	78.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-171.1	-175.9	0	0	0	0	0	113.3	R42	R42-G64 PolarHBondContact N-O 2.84Å; R42-G64 PolarHBondContact O-N 2.9Å
65	F	91.1	Very high	78.8	Confident	11 Å²	11	48.7 Å²	48.7	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.2	-179.2	-77.2	1.9	0	0	0	110.3	H32 F39 I40 A41 V73 V74 K76 H79	H32-F65 HydrophobicContact CB-CE2 4.18Å; H32-F65 AromaticContact CD2-CE2 3.67Å; H32-F65 AromaticContact CD2-CZ 3.61Å; H32-F65 AromaticContact CG-CE2 3.72Å; H32-F65 AromaticContact NE2-CZ 3.59Å; F39-F65 HydrophobicContact CB-CB 4.04Å; F39-F65 HydrophobicContact CB-CD2 3.92Å; F39-F65 HydrophobicContact CB-CG 4.23Å; F39-F65 HydrophobicContact CD1-CB 4.01Å; F39-F65 HydrophobicContact CG-CB 4.27Å; I40-F65 WeakPolarHBondContact O-CA 3.31Å; A41-F65 HydrophobicContact CB-CD1 3.94Å; A41-F65 HydrophobicContact CB-CE1 3.65Å; F65-V73 WeakPolarHBondContact O-CA 3.48Å; F65-V74 HydrophobicContact CB-CG2 4.06Å; F65-V74 PolarHBondContact N-O 3.32Å; F65-V74 PolarHBondContact O-N 2.88Å; F65-K76 HydrophobicContact CD1-CG 3.9Å; F65-K76 HydrophobicContact CE1-CB 4.45Å; F65-K76 HydrophobicContact CE1-CD 4.25Å; F65-K76 HydrophobicContact CE1-CG 3.76Å; F65-K76 HydrophobicContact CZ-CG 4.29Å; F65-H79 HydrophobicContact CD2-CB 3.7Å; F65-H79 AromaticContact CD2-CD2 3.74Å; F65-H79 AromaticContact CD2-CG 3.43Å; F65-H79 VanDerWaalsContact CD2-CG 3.43Å; F65-H79 AromaticContact CD2-ND1 3.68Å; F65-H79 HydrophobicContact CE2-CB 4.43Å; F65-H79 AromaticContact CE2-CD2 3.72Å; F65-H79 AromaticContact CE2-CE1 3.54Å; F65-H79 AromaticContact CE2-CG 3.68Å; F65-H79 AromaticContact CE2-ND1 3.56Å; F65-H79 AromaticContact CE2-NE2 3.6Å
66	Q	92.3	Very high	79.1	Confident	46 Å²	46	50.7 Å²	50.7	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.7	172.9	-175.2	-179.8	36.4	0	0	108.7	I40 R42 F44 Q68 F72 V73	I40-Q66 WeakPolarHBondContact CG1-O 3.5Å; I40-Q66 PolarHBondContact N-O 2.69Å; I40-Q66 PolarHBondContact O-N 2.77Å; R42-Q66 HydrophobicContact CB-CB 4.38Å; R42-Q66 HydrophobicContact CG-CB 3.85Å; F44-Q66 HydrophobicContact CE1-CB 4.29Å; F44-Q66 HydrophobicContact CZ-CB 4.16Å; Q66-Q68 PolarHBondContact O-N 3.02Å; Q66-F72 WeakPolarHBondContact CA-O 3.36Å; Q66-V73 HydrophobicContact CB-CG2 4.06Å; Q66-V73 HydrophobicContact CG-CG2 3.79Å
67	C	91.6	Very high	79.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.4	171.8	-176.5	0	0	0	0	109.7	H37 K38 F39 V69 C71 F72	H37-C67 HydrophobicContact CB-CB 4.4Å; H37-C67 PolarHBondContact ND1-SG 2.83Å; H37-C67 VanDerWaalsContact ND1-SG 3.44Å; K38-C67 CarbonylContact O-C 3.51Å; K38-C67 WeakPolarHBondContact O-CA 3.33Å; F39-C67 HydrophobicContact CD1-CB 4.04Å; F39-C67 HydrophobicContact CE1-CB 3.87Å; C67-V69 PolarHBondContact O-N 3.15Å; C67-C71 VanDerWaalsContact O-CA 3.26Å; C67-C71 WeakPolarHBondContact O-CA 3.27Å; C67-C71 PolarHBondContact O-N 3.26Å; C67-C71 VanDerWaalsContact O-N 3.11Å; C67-F72 HydrophobicContact CB-CB 4.18Å; C67-F72 PolarHBondContact N-O 3.01Å
68	Q	88.7	Confident	79.6	Confident	110 Å²	110	49.4 Å²	49.4	51%	0.514	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.6	179.2	-64.9	-171.8	-81.2	0	0	113.9	K38 I40 Q66	K38-Q68 PolarHBondContact O-N 3.32Å; I40-Q68 HydrophobicContact CB-CG 4.3Å; I40-Q68 HydrophobicContact CD1-CG 3.68Å; I40-Q68 HydrophobicContact CG1-CG 3.64Å; I40-Q68 VanDerWaalsContact CG2-CD 3.49Å; I40-Q68 HydrophobicContact CG2-CG 3.74Å; Q66-Q68 PolarHBondContact O-N 3.02Å
69	V	86.3	Confident	80.6	Confident	53 Å²	53	42.9 Å²	42.9	32%	0.321	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-59.7	-171.9	-176.6	0	0	0	0	110.7	C67 G88	C67-V69 PolarHBondContact O-N 3.15Å; V69-G88 WeakPolarHBondContact CG1-O 3.5Å
70	C	84.9	Confident	82	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.9	-176.1	63.1	0	0	0	0	113.8	H37 F72 C86 H117 N146	H37-C70 PolarHBondContact CE1-SG 2.92Å; H37-C70 PolarHBondContact ND1-SG 3.39Å; H37-C70 VanDerWaalsContact ND1-SG 3.36Å; C70-F72 PolarHBondContact O-N 3.45Å; C70-F72 VanDerWaalsContact SG-CB 3.5Å; C70-C86 PolarHBondContact SG-SG 3.02Å; C70-H117 PolarHBondContact O-NE2 3.39Å; C70-N146 HydrophobicContact CB-CB 4.14Å
71	C	89.6	Confident	83.9	Confident	53 Å²	53	33.4 Å²	33.4	36%	0.358	17%	0.17	S	C	.	.			trans	64.2	12	-174.3	-59.7	0	0	0	0	115.8	C67 V73	C67-C71 VanDerWaalsContact O-CA 3.26Å; C67-C71 WeakPolarHBondContact O-CA 3.27Å; C67-C71 PolarHBondContact O-N 3.26Å; C67-C71 VanDerWaalsContact O-N 3.11Å; C71-V73 WeakPolarHBondContact O-CG2 3.4Å; C71-V73 PolarHBondContact O-N 2.94Å
72	F	91.2	Very high	85.1	Confident	6 Å²	6	31.6 Å²	31.6	3%	0.026	15%	0.151	C	C	.	.			trans	-58.6	125.3	176.3	-166.9	-116	0	0	0	111.4	F39 Q66 C67 C70 V74 V82 F84 H117	F39-F72 HydrophobicContact CE1-CD1 4.24Å; F39-F72 HydrophobicContact CZ-CD1 4.08Å; Q66-F72 WeakPolarHBondContact CA-O 3.36Å; C67-F72 HydrophobicContact CB-CB 4.18Å; C67-F72 PolarHBondContact N-O 3.01Å; C70-F72 PolarHBondContact O-N 3.45Å; C70-F72 VanDerWaalsContact SG-CB 3.5Å; F72-V74 HydrophobicContact CD1-CG1 3.79Å; F72-V74 HydrophobicContact CE1-CG1 3.45Å; F72-V74 VanDerWaalsContact CE1-CG1 3.45Å; F72-V74 HydrophobicContact CZ-CG1 4.23Å; F72-V82 HydrophobicContact CD1-CG2 4.46Å; F72-V82 HydrophobicContact CE1-CG1 4.17Å; F72-V82 HydrophobicContact CE1-CG2 3.86Å; F72-F84 HydrophobicContact CD1-CZ 4.26Å; F72-F84 HydrophobicContact CD2-CZ 4.21Å; F72-F84 HydrophobicContact CE1-CE1 4.26Å; F72-F84 AromaticContact CE1-CZ 3.89Å; F72-F84 HydrophobicContact CE1-CZ 3.89Å; F72-F84 HydrophobicContact CE2-CE1 4.43Å; F72-F84 AromaticContact CE2-CZ 3.83Å; F72-F84 HydrophobicContact CE2-CZ 3.83Å; F72-F84 HydrophobicContact CG-CZ 4.42Å; F72-F84 AromaticContact CZ-CE1 3.94Å; F72-F84 HydrophobicContact CZ-CE1 3.94Å; F72-F84 AromaticContact CZ-CZ 3.67Å; F72-F84 HydrophobicContact CZ-CZ 3.67Å; F72-H117 WeakPolarHBondContact CA-O 3.13Å; F72-H117 AromaticContact CD2-CE1 3.93Å; F72-H117 AromaticContact CD2-ND1 3.64Å; F72-H117 WeakPolarHBondContact CD2-O 3.33Å
73	V	91.7	Very high	85.9	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.4	-174.2	170.4	0	0	0	0	111.9	F44 T48 S51 I57 F65 Q66 C71 H117 C118	F44-V73 HydrophobicContact CE1-CG1 3.93Å; F44-V73 HydrophobicContact CE1-CG2 3.74Å; F44-V73 HydrophobicContact CE2-CG1 3.98Å; F44-V73 HydrophobicContact CZ-CB 4.34Å; F44-V73 HydrophobicContact CZ-CG1 3.48Å; F44-V73 VanDerWaalsContact CZ-CG1 3.48Å; F44-V73 HydrophobicContact CZ-CG2 3.89Å; T48-V73 HydrophobicContact CG2-CB 4.44Å; T48-V73 HydrophobicContact CG2-CG1 3.64Å; S51-V73 WeakPolarHBondContact CB-O 3.5Å; S51-V73 PolarHBondContact N-O 3.03Å; S51-V73 PolarHBondContact OG-O 3.18Å; I57-V73 HydrophobicContact CD1-CG1 3.36Å; F65-V73 WeakPolarHBondContact O-CA 3.48Å; Q66-V73 HydrophobicContact CB-CG2 4.06Å; Q66-V73 HydrophobicContact CG-CG2 3.79Å; C71-V73 WeakPolarHBondContact O-CG2 3.4Å; C71-V73 PolarHBondContact O-N 2.94Å; V73-H117 PolarHBondContact N-O 3.49Å; V73-C118 WeakPolarHBondContact CB-O 3.48Å; V73-C118 WeakPolarHBondContact CG2-O 3.14Å
74	V	90.9	Very high	86.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.5	-178.3	-65.5	0	0	0	0	112.6	F39 C50 H52 F65 F72 C78 H79 V82	F39-V74 HydrophobicContact CD1-CG2 4.1Å; F39-V74 HydrophobicContact CE1-CG2 3.71Å; F39-V74 HydrophobicContact CZ-CG2 4.09Å; C50-V74 VanDerWaalsContact SG-CA 3.54Å; H52-V74 HydrophobicContact CB-CG1 3.91Å; F65-V74 HydrophobicContact CB-CG2 4.06Å; F65-V74 PolarHBondContact N-O 3.32Å; F65-V74 PolarHBondContact O-N 2.88Å; F72-V74 HydrophobicContact CD1-CG1 3.79Å; F72-V74 HydrophobicContact CE1-CG1 3.45Å; F72-V74 VanDerWaalsContact CE1-CG1 3.45Å; F72-V74 HydrophobicContact CZ-CG1 4.23Å; V74-C78 HydrophobicContact CB-CB 4.15Å; V74-H79 HydrophobicContact CG2-CB 3.63Å; V74-V82 HydrophobicContact CG1-CG2 4.25Å
75	H	85.9	Confident	86.2	Confident	14 Å²	14	31.2 Å²	31.2	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	156.2	165.8	-63.2	103.4	0	0	0	110.6	C50 C53 D55 F56 I57 R77 C78 H79	C50-H75 WeakPolarHBondContact CB-CE1 3.37Å; C50-H75 WeakPolarHBondContact CB-ND1 3.48Å; C50-H75 PolarHBondContact SG-N 2.87Å; C50-H75 VanDerWaalsContact SG-N 3.41Å; C53-H75 PolarHBondContact SG-CE1 3.18Å; C53-H75 PolarHBondContact SG-ND1 2.7Å; D55-H75 PolarHBondContact O-CE1 3.3Å; F56-H75 PolarHBondContact O-NE2 3.2Å; I57-H75 WeakPolarHBondContact CA-NE2 3.45Å; H75-R77 HydrophobicContact CB-CG 3.95Å; H75-R77 PolarHBondContact O-N 2.88Å; H75-C78 HydrophobicContact CB-CB 4.15Å; H75-C78 PolarHBondContact O-N 3.29Å; H75-H79 PolarHBondContact O-N 2.93Å
76	K	85	Confident	85.8	Confident	101 Å²	101	30.8 Å²	30.8	44%	0.439	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.2	170.9	-61.3	-176.6	-174.2	161	0	112.8	K62 F65 H79	K62-K76 WeakPolarHBondContact O-CE 3.11Å; K62-K76 PolarHBondContact O-NZ 2.89Å; F65-K76 HydrophobicContact CD1-CG 3.9Å; F65-K76 HydrophobicContact CE1-CB 4.45Å; F65-K76 HydrophobicContact CE1-CD 4.25Å; F65-K76 HydrophobicContact CE1-CG 3.76Å; F65-K76 HydrophobicContact CZ-CG 4.29Å; K76-H79 PolarHBondContact O-CE1 2.85Å; K76-H79 VanDerWaalsContact O-CE1 3.31Å; K76-H79 PolarHBondContact O-ND1 3.48Å
77	R	82.9	Confident	85.1	Confident	65 Å²	65	30.3 Å²	30.3	25%	0.245	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-25.5	175.4	71	-179.3	178.2	-141.3	-3.4	113.3	H75 F81 P185	H75-R77 HydrophobicContact CB-CG 3.95Å; H75-R77 PolarHBondContact O-N 2.88Å; R77-F81 WeakPolarHBondContact O-CD2 3.43Å; R77-F81 WeakPolarHBondContact O-CE2 3.2Å; R77-P185 VanDerWaalsContact NH2-CD 3.32Å
78	C	84.8	Confident	84.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-19.3	-171.2	-64.7	0	0	0	0	113.6	H52 V74 H75 E80 F81	H52-C78 HydrophobicContact CB-CB 4.26Å; V74-C78 HydrophobicContact CB-CB 4.15Å; H75-C78 HydrophobicContact CB-CB 4.15Å; H75-C78 PolarHBondContact O-N 3.29Å; C78-E80 VanDerWaalsContact C-N 3.28Å; C78-E80 PolarHBondContact O-N 3.35Å; C78-F81 PolarHBondContact O-N 3.42Å
79	H	85.9	Confident	83.2	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.028	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.6	-32	-173	80.3	-73.2	0	0	0	114.5	H32 V34 F39 F65 V74 H75 K76 F81	H32-H79 AromaticContact CG-NE2 3.95Å; H32-H79 AromaticContact ND1-NE2 3.62Å; V34-H79 WeakPolarHBondContact CG1-O 3.44Å; F39-H79 HydrophobicContact CD2-CB 3.98Å; F39-H79 HydrophobicContact CE2-CB 4.13Å; F39-H79 HydrophobicContact CG-CB 4.29Å; F65-H79 HydrophobicContact CD2-CB 3.7Å; F65-H79 AromaticContact CD2-CD2 3.74Å; F65-H79 AromaticContact CD2-CG 3.43Å; F65-H79 VanDerWaalsContact CD2-CG 3.43Å; F65-H79 AromaticContact CD2-ND1 3.68Å; F65-H79 HydrophobicContact CE2-CB 4.43Å; F65-H79 AromaticContact CE2-CD2 3.72Å; F65-H79 AromaticContact CE2-CE1 3.54Å; F65-H79 AromaticContact CE2-CG 3.68Å; F65-H79 AromaticContact CE2-ND1 3.56Å; F65-H79 AromaticContact CE2-NE2 3.6Å; V74-H79 HydrophobicContact CG2-CB 3.63Å; H75-H79 PolarHBondContact O-N 2.93Å; K76-H79 PolarHBondContact O-CE1 2.85Å; K76-H79 VanDerWaalsContact O-CE1 3.31Å; K76-H79 PolarHBondContact O-ND1 3.48Å; H79-F81 PolarHBondContact O-N 3.23Å
80	E	84.8	Confident	81.8	Confident	47 Å²	47	33.2 Å²	33.2	22%	0.22	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-76.5	-9.5	179.8	-53.1	174.2	162.9	0	0	112.9	C78 N298	C78-E80 VanDerWaalsContact C-N 3.28Å; C78-E80 PolarHBondContact O-N 3.35Å; E80-N298 WeakPolarHBondContact CB-ND2 3.38Å; E80-N298 PolarHBondContact OE1-OD1 2.89Å; E80-N298 PolarHBondContact OE2-OD1 3.43Å
81	F	83.1	Confident	80.3	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.035	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-106.5	5.9	-175.7	-58.8	-56	0	0	0	112.7	H52 R77 C78 H79 T83 R161 K181 N182	H52-F81 PolarHBondContact CE1-O 3.07Å; H52-F81 VanDerWaalsContact CE1-O 3.25Å; R77-F81 WeakPolarHBondContact O-CD2 3.43Å; R77-F81 WeakPolarHBondContact O-CE2 3.2Å; C78-F81 PolarHBondContact O-N 3.42Å; H79-F81 PolarHBondContact O-N 3.23Å; F81-T83 WeakPolarHBondContact O-CG2 3.19Å; F81-T83 PolarHBondContact O-N 2.91Å; F81-R161 VanDerWaalsContact CB-NH2 3.28Å; F81-K181 HydrophobicContact CE1-CB 4.08Å; F81-K181 HydrophobicContact CE1-CD 4.22Å; F81-K181 HydrophobicContact CZ-CB 4.11Å; F81-N182 HydrophobicContact CD2-CB 3.58Å; F81-N182 HydrophobicContact CE2-CB 3.48Å; F81-N182 VanDerWaalsContact CE2-CB 3.48Å; F81-N182 HydrophobicContact CG-CB 4.26Å; F81-N182 HydrophobicContact CZ-CB 4.05Å
82	V	83	Confident	78.4	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.024	24%	0.238	C	C	.	.			trans	-70.5	120.8	173.2	-179.7	0	0	0	0	108.8	F39 F72 V74 F84	F39-V82 HydrophobicContact CE2-CG2 4.43Å; F39-V82 HydrophobicContact CZ-CG2 4.15Å; F72-V82 HydrophobicContact CD1-CG2 4.46Å; F72-V82 HydrophobicContact CE1-CG1 4.17Å; F72-V82 HydrophobicContact CE1-CG2 3.86Å; V74-V82 HydrophobicContact CG1-CG2 4.25Å; V82-F84 HydrophobicContact CG1-CD1 3.98Å; V82-F84 HydrophobicContact CG1-CE1 3.81Å; V82-F84 HydrophobicContact CG1-CE2 4.48Å; V82-F84 HydrophobicContact CG1-CG 4.38Å; V82-F84 HydrophobicContact CG1-CZ 4.08Å
83	T	77.3	Confident	76.1	Confident	44 Å²	44	47.9 Å²	47.9	27%	0.27	27%	0.273	S	S	.	.			trans	-97.5	-3.9	-168.9	53.8	0	0	0	0	114.2	F81 D294	F81-T83 WeakPolarHBondContact O-CG2 3.19Å; F81-T83 PolarHBondContact O-N 2.91Å; T83-D294 WeakPolarHBondContact CG2-OD2 3.38Å
84	F	78.6	Confident	74	Confident	18 Å²	18	55.3 Å²	55.3	8%	0.079	31%	0.313	C	S	.	.	S	Bend	trans	-118.4	149.1	-177.2	64.2	-92.3	0	0	0	111.8	K35 H37 F72 V82 P87 P148 L150 H155	K35-F84 VanDerWaalsContact CB-O 3.28Å; K35-F84 WeakPolarHBondContact CB-O 3.28Å; H37-F84 AromaticContact CE1-CE2 3.76Å; H37-F84 AromaticContact NE2-CD2 3.77Å; H37-F84 AromaticContact NE2-CE2 3.44Å; H37-F84 WeakPolarHBondContact NE2-CE2 3.21Å; H37-F84 PolarHBondContact NE2-O 3.38Å; F72-F84 HydrophobicContact CD1-CZ 4.26Å; F72-F84 HydrophobicContact CD2-CZ 4.21Å; F72-F84 HydrophobicContact CE1-CE1 4.26Å; F72-F84 AromaticContact CE1-CZ 3.89Å; F72-F84 HydrophobicContact CE1-CZ 3.89Å; F72-F84 HydrophobicContact CE2-CE1 4.43Å; F72-F84 AromaticContact CE2-CZ 3.83Å; F72-F84 HydrophobicContact CE2-CZ 3.83Å; F72-F84 HydrophobicContact CG-CZ 4.42Å; F72-F84 AromaticContact CZ-CE1 3.94Å; F72-F84 HydrophobicContact CZ-CE1 3.94Å; F72-F84 AromaticContact CZ-CZ 3.67Å; F72-F84 HydrophobicContact CZ-CZ 3.67Å; V82-F84 HydrophobicContact CG1-CD1 3.98Å; V82-F84 HydrophobicContact CG1-CE1 3.81Å; V82-F84 HydrophobicContact CG1-CE2 4.48Å; V82-F84 HydrophobicContact CG1-CG 4.38Å; V82-F84 HydrophobicContact CG1-CZ 4.08Å; F84-P87 HydrophobicContact CE2-CG 4.43Å; F84-P148 HydrophobicContact CD1-CG 4.49Å; F84-P148 HydrophobicContact CD2-CB 3.84Å; F84-P148 HydrophobicContact CD2-CG 3.92Å; F84-P148 HydrophobicContact CE1-CG 4.33Å; F84-P148 HydrophobicContact CE2-CB 4.1Å; F84-P148 HydrophobicContact CE2-CG 3.75Å; F84-P148 HydrophobicContact CG-CB 4.3Å; F84-P148 HydrophobicContact CG-CG 4.3Å; F84-P148 HydrophobicContact CZ-CG 3.96Å; F84-L150 HydrophobicContact CB-CD1 3.72Å; F84-L150 HydrophobicContact CD1-CD1 4.2Å; F84-L150 HydrophobicContact CG-CD1 4.06Å; F84-H155 AromaticContact CD1-CD2 3.95Å; F84-H155 AromaticContact CE1-CD2 3.91Å
85	S	80.5	Confident	72	Confident	68 Å²	68	59.7 Å²	59.7	48%	0.476	34%	0.34	S	S	.	.			trans	-71.2	144.9	175.1	-79.3	0	0	0	0	111.9	K35 D36 P87	K35-S85 CarbonylContact O-C 3.54Å; K35-S85 VanDerWaalsContact O-CA 3.25Å; K35-S85 WeakPolarHBondContact O-CA 3.39Å; D36-S85 PolarHBondContact OD2-OG 3.23Å; S85-P87 VanDerWaalsContact O-CD 3.25Å; S85-P87 WeakPolarHBondContact O-CD 3.39Å; S85-P87 VanDerWaalsContact O-N 3.15Å
86	C	83.3	Confident	70.2	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.02	37%	0.367	C	S	.	.			trans	-57.8	118	-178.6	-175.9	0	0	0	0	111.6	K35 D36 H37 C70 G88 A89	K35-C86 PolarHBondContact O-N 2.94Å; D36-C86 VanDerWaalsContact C-CB 3.48Å; D36-C86 HydrophobicContact CB-CB 4.16Å; D36-C86 WeakPolarHBondContact O-CB 3.45Å; H37-C86 HydrophobicContact CB-CB 4.29Å; H37-C86 WeakPolarHBondContact NE2-CA 3.43Å; C70-C86 PolarHBondContact SG-SG 3.02Å; C86-G88 PolarHBondContact O-N 3.38Å; C86-A89 HydrophobicContact CB-CB 3.65Å; C86-A89 PolarHBondContact O-N 2.69Å
87	P	78	Confident	68.8	Low	36 Å²	36	62.8 Å²	62.8	23%	0.234	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.7	-175.8	-26.6	36.7	0	0	0	114.4	F84 S85 N146 P148	F84-P87 HydrophobicContact CE2-CG 4.43Å; S85-P87 VanDerWaalsContact O-CD 3.25Å; S85-P87 WeakPolarHBondContact O-CD 3.39Å; S85-P87 VanDerWaalsContact O-N 3.15Å; P87-N146 WeakPolarHBondContact CG-O 3.47Å; P87-P148 HydrophobicContact CG-CB 3.99Å
88	G	72.6	Confident	67.6	Low	40 Å²	40	64.6 Å²	64.6	41%	0.412	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.8	179.3	0	0	0	0	0	115	V69 C86	V69-G88 WeakPolarHBondContact CG1-O 3.5Å; C86-G88 PolarHBondContact O-N 3.38Å
89	A	67.6	Low	66.4	Low	31 Å²	31	74.6 Å²	74.6	26%	0.256	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-25.8	-173	0	0	0	0	0	114.1	D36 C86	D36-A89 HydrophobicContact CB-CB 3.69Å; D36-A89 WeakPolarHBondContact O-CB 3.45Å; C86-A89 HydrophobicContact CB-CB 3.65Å; C86-A89 PolarHBondContact O-N 2.69Å
90	D	56.5	Low	65.4	Low	152 Å²	152	75.4 Å²	75.4	81%	0.813	43%	0.426	S	S	*	.			trans	-172.6	134.3	163.3	-94	-36.3	0	0	0	109.3	G92	D90-G92 VanDerWaalsContact C-N 3.29Å; D90-G92 PolarHBondContact O-N 3.41Å
91	K	53.9	Low	65.2	Low	203 Å²	203	77.2 Å²	77.2	88%	0.883	43%	0.433	S	S	*	.			trans	-81	76	175.5	-66.3	-173.9	-178	-177.8	0	109.6
92	G	48.1	Very low	65.2	Low	45 Å²	45	78.3 Å²	78.3	46%	0.464	44%	0.438	S	S	.	.			trans	-62.7	162.6	171	0	0	0	0	0	112.5	D90 D94	D90-G92 VanDerWaalsContact C-N 3.29Å; D90-G92 PolarHBondContact O-N 3.41Å; G92-D94 PolarHBondContact O-N 2.9Å
93	P	43.7	Very low	65.4	Low	119 Å²	119	85 Å²	85	77%	0.773	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-70.6	-6.9	-177.9	-6.3	20.5	0	0	0	114.9	T95	P93-T95 PolarHBondContact O-N 3.22Å
94	D	47.5	Very low	66.2	Low	158 Å²	158	84.5 Å²	84.5	85%	0.845	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-95.4	18.4	-163	-71.7	-32.8	0	0	0	115.9	G92	G92-D94 PolarHBondContact O-N 2.9Å
95	T	48.6	Very low	66.7	Low	92 Å²	92	89.4 Å²	89.4	56%	0.564	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-125.2	21.7	-179	59.7	0	0	0	0	115.2	P93	P93-T95 PolarHBondContact O-N 3.22Å
96	D	48.4	Very low	67.2	Low	119 Å²	119	91 Å²	91	64%	0.636	49%	0.485	S	S	*	.			trans	-100.2	35.7	-176.5	-102.5	-19.3	0	0	0	114.3	P98 K101	D96-P98 VanDerWaalsContact O-CD 3.23Å; D96-P98 WeakPolarHBondContact O-CD 3.46Å; D96-K101 IonicContact OD1-NZ 2.8Å; D96-K101 PolarHBondContact OD1-NZ 3.49Å
97	D	55.2	Low	67.1	Low	60 Å²	60	94.3 Å²	94.3	32%	0.321	50%	0.5	S	S	.	.			trans	-79	112.7	160.3	-166.4	-26.3	0	0	0	108.8	R99 S100	D97-R99 PolarHBondContact O-N 3.18Å; D97-R99 VanDerWaalsContact O-N 3.08Å; D97-R99 VanDerWaalsContact OD1-CB 3.27Å; D97-R99 WeakPolarHBondContact OD1-CB 3.16Å; D97-R99 WeakPolarHBondContact OD1-CG 3.48Å; D97-R99 IonicContact OD1-CZ 3.29Å; D97-R99 PolarHBondContact OD1-N 3.01Å; D97-R99 IonicContact OD1-NE 3.59Å; D97-R99 PolarHBondContact OD1-NE 3.21Å; D97-R99 IonicContact OD1-NH2 3.23Å; D97-R99 IonicContact OD2-CZ 3.62Å; D97-R99 IonicContact OD2-NE 2.79Å; D97-R99 PolarHBondContact OD2-NE 3.12Å; D97-R99 IonicContact OD2-NH2 2.69Å; D97-R99 PolarHBondContact OD2-NH2 3.26Å; D97-S100 PolarHBondContact O-N 3.45Å; D97-S100 PolarHBondContact O-OG 2.77Å
98	P	58.8	Low	67.3	Low	103 Å²	103	94.9 Å²	94.9	67%	0.669	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.9	-179.6	-18.4	32.3	0	0	0	113.1	D96	D96-P98 VanDerWaalsContact O-CD 3.23Å; D96-P98 WeakPolarHBondContact O-CD 3.46Å
99	R	58.4	Low	67.5	Low	211 Å²	211	93.8 Å²	93.8	80%	0.796	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-78.5	-24.5	-176.3	-62.6	173.1	-69	-175.9	2.6	113.4	D97	D97-R99 PolarHBondContact O-N 3.18Å; D97-R99 VanDerWaalsContact O-N 3.08Å; D97-R99 VanDerWaalsContact OD1-CB 3.27Å; D97-R99 WeakPolarHBondContact OD1-CB 3.16Å; D97-R99 WeakPolarHBondContact OD1-CG 3.48Å; D97-R99 IonicContact OD1-CZ 3.29Å; D97-R99 PolarHBondContact OD1-N 3.01Å; D97-R99 IonicContact OD1-NE 3.59Å; D97-R99 PolarHBondContact OD1-NE 3.21Å; D97-R99 IonicContact OD1-NH2 3.23Å; D97-R99 IonicContact OD2-CZ 3.62Å; D97-R99 IonicContact OD2-NE 2.79Å; D97-R99 PolarHBondContact OD2-NE 3.12Å; D97-R99 IonicContact OD2-NH2 2.69Å; D97-R99 PolarHBondContact OD2-NH2 3.26Å
100	S	66.5	Low	67.3	Low	22 Å²	22	95.2 Å²	95.2	15%	0.154	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-96.6	9.1	177.6	65.4	0	0	0	0	113	D97 S149 L150 C151	D97-S100 PolarHBondContact O-N 3.45Å; D97-S100 PolarHBondContact O-OG 2.77Å; S100-S149 VanDerWaalsContact CB-O 3.26Å; S100-S149 WeakPolarHBondContact CB-O 3.2Å; S100-S149 CarbonylContact O-C 3.51Å; S100-S149 PolarHBondContact OG-O 3.31Å; S100-L150 PolarHBondContact O-N 3.42Å; S100-C151 WeakPolarHBondContact O-CB 3.43Å; S100-C151 PolarHBondContact O-N 3.09Å
101	K	79	Confident	68.1	Low	85 Å²	85	90 Å²	90	37%	0.37	48%	0.479	S	S	.	.	S	Bend	trans	-80.6	137.7	176.5	-67.1	-171.7	179.8	-179.1	0	111.4	D96 C151	D96-K101 IonicContact OD1-NZ 2.8Å; D96-K101 PolarHBondContact OD1-NZ 3.49Å; K101-C151 VanDerWaalsContact C-CB 3.49Å
102	H	83.4	Confident	69.2	Low	32 Å²	32	85.5 Å²	85.5	15%	0.148	47%	0.47	C	S	.	.			trans	-69.5	136.4	174.9	-70.6	-88.6	0	0	0	111	F104 C132 C135 P148 C151	H102-F104 HydrophobicContact CB-CD2 3.63Å; H102-F104 HydrophobicContact CB-CE1 4.49Å; H102-F104 HydrophobicContact CB-CE2 3.22Å; H102-F104 HydrophobicContact CB-CG 4.44Å; H102-F104 HydrophobicContact CB-CZ 3.7Å; H102-F104 AromaticContact CG-CE2 3.78Å; H102-F104 AromaticContact CG-CZ 3.85Å; H102-C132 PolarHBondContact ND1-SG 3.4Å; H102-C135 PolarHBondContact CE1-SG 3.38Å; H102-C135 PolarHBondContact ND1-SG 2.9Å; H102-C135 VanDerWaalsContact ND1-SG 3.39Å; H102-P148 PolarHBondContact CD2-O 2.95Å; H102-P148 PolarHBondContact NE2-O 3.2Å; H102-C151 HydrophobicContact CB-CB 4.28Å; H102-C151 PolarHBondContact NE2-N 3.43Å
103	K	88.4	Confident	70.8	Confident	143 Å²	143	84.4 Å²	84.4	62%	0.622	46%	0.455	S	S	*	.			trans	-101	89	171	-67.6	-178.8	-177.1	176.4	0	109.3	C132 D133	K103-C132 CarbonylContact O-C 3.27Å; K103-C132 WeakPolarHBondContact O-CA 3.48Å; K103-D133 PolarHBondContact O-N 2.99Å
104	F	92.4	Very high	72.9	Confident	34 Å²	34	81.3 Å²	81.3	15%	0.149	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	138	-178.1	-75.2	-67.5	0	0	0	112.3	H102 M130 K131 C132 M137 V139 V144 V147	H102-F104 HydrophobicContact CB-CD2 3.63Å; H102-F104 HydrophobicContact CB-CE1 4.49Å; H102-F104 HydrophobicContact CB-CE2 3.22Å; H102-F104 HydrophobicContact CB-CG 4.44Å; H102-F104 HydrophobicContact CB-CZ 3.7Å; H102-F104 AromaticContact CG-CE2 3.78Å; H102-F104 AromaticContact CG-CZ 3.85Å; F104-M130 HydrophobicContact CB-CB 4.11Å; F104-M130 HydrophobicContact CB-CE 3.96Å; F104-M130 HydrophobicContact CD1-CB 3.99Å; F104-M130 HydrophobicContact CG-CB 4.3Å; F104-K131 WeakPolarHBondContact CA-O 3.3Å; F104-C132 HydrophobicContact CD1-CB 3.91Å; F104-C132 HydrophobicContact CE1-CB 3.72Å; F104-C132 HydrophobicContact CZ-CB 4.4Å; F104-M137 HydrophobicContact CE1-CB 4.43Å; F104-M137 HydrophobicContact CZ-SD 4.15Å; F104-V139 HydrophobicContact CD1-CG2 3.85Å; F104-V139 HydrophobicContact CE1-CB 4.47Å; F104-V139 HydrophobicContact CE1-CG1 4.31Å; F104-V139 HydrophobicContact CE1-CG2 3.39Å; F104-V139 HydrophobicContact CE2-CG2 4.29Å; F104-V139 HydrophobicContact CG-CG2 4.5Å; F104-V139 HydrophobicContact CZ-CG1 4.27Å; F104-V139 HydrophobicContact CZ-CG2 3.64Å; F104-V144 HydrophobicContact CB-CG2 4.45Å; F104-V144 HydrophobicContact CD2-CB 4.41Å; F104-V144 HydrophobicContact CD2-CG1 3.69Å; F104-V144 HydrophobicContact CD2-CG2 4.08Å; F104-V144 HydrophobicContact CE2-CG1 4.2Å; F104-V144 HydrophobicContact CG-CG1 4.43Å; F104-V144 HydrophobicContact CG-CG2 4.18Å; F104-V147 HydrophobicContact CE2-CB 4.45Å; F104-V147 HydrophobicContact CE2-CG1 4.33Å; F104-V147 HydrophobicContact CE2-CG2 4.48Å; F104-V147 HydrophobicContact CZ-CG1 4.22Å; F104-V147 HydrophobicContact CZ-CG2 4.32Å
105	K	90.8	Very high	75	Confident	122 Å²	122	73.9 Å²	73.9	53%	0.53	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149	169.9	-73.1	-175.2	179.8	150.3	0	110.6	H107 M130 K131 D133	K105-H107 PolarHBondContact O-N 3.35Å; K105-M130 CarbonylContact O-C 2.98Å; K105-M130 VanDerWaalsContact O-CA 3.25Å; K105-M130 WeakPolarHBondContact O-CA 3.33Å; K105-K131 PolarHBondContact N-O 3.23Å; K105-K131 PolarHBondContact O-N 2.7Å; K105-D133 VanDerWaalsContact CD-OD2 3.31Å; K105-D133 WeakPolarHBondContact CD-OD2 3.31Å; K105-D133 WeakPolarHBondContact CE-OD2 3.24Å; K105-D133 IonicContact NZ-OD1 3.03Å; K105-D133 IonicContact NZ-OD2 3.64Å; K105-D133 PolarHBondContact NZ-OD2 3.08Å
106	I	89.4	Confident	76.9	Confident	101 Å²	101	72.2 Å²	72.2	52%	0.518	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	133.1	172.2	-63.4	169.4	0	0	0	108.5	H127 M130	I106-H127 HydrophobicContact CG2-CB 3.64Å; I106-M130 HydrophobicContact CB-SD 4.21Å; I106-M130 HydrophobicContact CG1-CE 4.15Å; I106-M130 HydrophobicContact CG1-SD 3.48Å; I106-M130 WeakPolarHBondContact CG1-SD 3.29Å
107	H	83.1	Confident	78.9	Confident	73 Å²	73	66.6 Å²	66.6	34%	0.338	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.9	-177	-168.9	66.6	0	0	0	111.7	K105 Y109 H127 Q128 G129 K131	K105-H107 PolarHBondContact O-N 3.35Å; H107-Y109 HydrophobicContact CB-CE2 4.19Å; H107-Y109 AromaticContact CD2-CD1 3.68Å; H107-Y109 AromaticContact CD2-CE1 3.54Å; H107-Y109 AromaticContact CD2-CE2 3.98Å; H107-Y109 AromaticContact CD2-CG 3.96Å; H107-Y109 AromaticContact CD2-CZ 3.72Å; H107-H127 CarbonylContact O-C 3.56Å; H107-H127 WeakPolarHBondContact O-CA 3.2Å; H107-Q128 PolarHBondContact O-N 3.47Å; H107-G129 PolarHBondContact N-O 2.93Å; H107-K131 HydrophobicContact CB-CB 3.63Å
108	T	80.3	Confident	80.4	Confident	47 Å²	47	64.3 Å²	64.3	29%	0.288	34%	0.336	S	S	.	.			trans	-102.1	121.2	171.2	-63.7	0	0	0	0	109.2	I126 H127	T108-I126 HydrophobicContact CG2-CB 4.34Å; T108-I126 HydrophobicContact CG2-CG2 4.2Å; T108-H127 PolarHBondContact OG1-CD2 3.31Å; T108-H127 PolarHBondContact OG1-N 3.45Å
109	Y	77.7	Confident	81.6	Confident	18 Å²	18	59.5 Å²	59.5	7%	0.071	31%	0.305	C	S	.	.			trans	-93.1	131.1	-179.7	-60.3	-91.1	0	0	0	110.1	H107 S111 T113 L122 Q128 M130 N138	H107-Y109 HydrophobicContact CB-CE2 4.19Å; H107-Y109 AromaticContact CD2-CD1 3.68Å; H107-Y109 AromaticContact CD2-CE1 3.54Å; H107-Y109 AromaticContact CD2-CE2 3.98Å; H107-Y109 AromaticContact CD2-CG 3.96Å; H107-Y109 AromaticContact CD2-CZ 3.72Å; Y109-S111 VanDerWaalsContact C-N 3.29Å; Y109-T113 HydrophobicContact CD1-CG2 3.6Å; Y109-T113 WeakPolarHBondContact CD1-OG1 3.33Å; Y109-T113 HydrophobicContact CE1-CG2 3.71Å; Y109-T113 HydrophobicContact CG-CG2 4.26Å; Y109-L122 HydrophobicContact CD2-CD1 4.02Å; Y109-L122 HydrophobicContact CE1-CD1 4.2Å; Y109-L122 HydrophobicContact CE2-CD1 3.45Å; Y109-L122 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Q128 HydrophobicContact CD2-CB 4.01Å; Y109-Q128 PolarHBondContact O-NE2 3.02Å; Y109-Q128 VanDerWaalsContact O-NE2 3.1Å; Y109-M130 PolarHBondContact OH-O 2.88Å; Y109-N138 HydrophobicContact CE1-CB 3.95Å; Y109-N138 VanDerWaalsContact CE1-OD1 3.25Å; Y109-N138 WeakPolarHBondContact CE1-OD1 2.9Å; Y109-N138 VanDerWaalsContact OH-CB 3.31Å; Y109-N138 WeakPolarHBondContact OH-CB 3.13Å; Y109-N138 PolarHBondContact OH-OD1 2.94Å
110	G	62.7	Low	82.9	Confident	60 Å²	60	50.5 Å²	50.5	62%	0.619	27%	0.274	S	S	*	.	S	Bend	trans	-80.6	-5.8	177.5	0	0	0	0	0	114.5
111	S	74.5	Confident	83.8	Confident	44 Å²	44	51.4 Å²	51.4	31%	0.308	28%	0.277	S	S	.	.	S	Bend	trans	-141.8	156.6	179	62.3	0	0	0	0	110.7	Y109 T113	Y109-S111 VanDerWaalsContact C-N 3.29Å; S111-T113 PolarHBondContact O-N 2.79Å; S111-T113 PolarHBondContact O-OG1 3.44Å
112	P	75.9	Confident	84	Confident	107 Å²	107	47.7 Å²	47.7	70%	0.695	26%	0.261	S	S	*	.			trans	-50.5	110.7	172.7	-27.1	35.3	0	0	0	110.7	L121	P112-L121 HydrophobicContact CB-CD1 3.85Å
113	T	81.8	Confident	83.4	Confident	23 Å²	23	49.9 Å²	49.9	14%	0.141	27%	0.269	C	S	.	.			trans	-119.4	140.5	-175	-57.5	0	0	0	0	108.6	Y109 S111 L121 L122 N138	Y109-T113 HydrophobicContact CD1-CG2 3.6Å; Y109-T113 WeakPolarHBondContact CD1-OG1 3.33Å; Y109-T113 HydrophobicContact CE1-CG2 3.71Å; Y109-T113 HydrophobicContact CG-CG2 4.26Å; S111-T113 PolarHBondContact O-N 2.79Å; S111-T113 PolarHBondContact O-OG1 3.44Å; T113-L121 WeakPolarHBondContact O-CD1 3.42Å; T113-L122 HydrophobicContact CG2-CD1 3.9Å; T113-L122 VanDerWaalsContact O-CB 3.29Å; T113-L122 WeakPolarHBondContact O-CB 3.33Å; T113-L122 WeakPolarHBondContact O-CG 3.38Å; T113-L122 PolarHBondContact O-N 3.17Å; T113-N138 HydrophobicContact CG2-CB 4.06Å
114	F	88.7	Confident	81.9	Confident	54 Å²	54	44.8 Å²	44.8	24%	0.237	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-105.1	149	-177	-63.2	-96.8	0	0	0	110.2	P47 F49 D116 S120 L121	P47-F114 HydrophobicContact CB-CE1 4.31Å; P47-F114 WeakPolarHBondContact O-CE1 3.22Å; F49-F114 HydrophobicContact CD2-CB 4.2Å; F49-F114 AromaticContact CD2-CD1 3.68Å; F49-F114 HydrophobicContact CD2-CD1 3.68Å; F49-F114 AromaticContact CD2-CD2 3.91Å; F49-F114 HydrophobicContact CD2-CD2 3.91Å; F49-F114 HydrophobicContact CD2-CE1 4.02Å; F49-F114 HydrophobicContact CD2-CE2 4.23Å; F49-F114 AromaticContact CD2-CG 3.64Å; F49-F114 HydrophobicContact CD2-CG 3.64Å; F49-F114 HydrophobicContact CD2-CZ 4.28Å; F49-F114 AromaticContact CE2-CD1 3.94Å; F49-F114 HydrophobicContact CE2-CD1 3.94Å; F49-F114 AromaticContact CE2-CD2 3.72Å; F49-F114 HydrophobicContact CE2-CD2 3.72Å; F49-F114 AromaticContact CE2-CE1 3.83Å; F49-F114 HydrophobicContact CE2-CE1 3.83Å; F49-F114 AromaticContact CE2-CE2 3.61Å; F49-F114 HydrophobicContact CE2-CE2 3.61Å; F49-F114 AromaticContact CE2-CG 3.91Å; F49-F114 HydrophobicContact CE2-CG 3.91Å; F49-F114 AromaticContact CE2-CZ 3.67Å; F49-F114 HydrophobicContact CE2-CZ 3.67Å; F49-F114 HydrophobicContact CZ-CE2 4.44Å; F114-D116 PolarHBondContact O-N 3.33Å; F114-S120 CarbonylContact C-O 3.59Å; F114-S120 WeakPolarHBondContact CA-O 3.33Å; F114-L121 HydrophobicContact CD1-CB 4.11Å; F114-L121 HydrophobicContact CD1-CD1 4.18Å; F114-L121 HydrophobicContact CD2-CD1 4.34Å; F114-L121 HydrophobicContact CE1-CB 3.94Å; F114-L121 HydrophobicContact CE1-CD1 3.81Å; F114-L121 HydrophobicContact CE1-CG 4.49Å; F114-L121 HydrophobicContact CE2-CD1 3.99Å; F114-L121 HydrophobicContact CG-CD1 4.42Å; F114-L121 HydrophobicContact CZ-CD1 3.7Å
115	C	91	Very high	79.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	26%	0.261	C	S	.	.			trans	-70.8	122.2	174.8	177.9	0	0	0	0	109.8	H117 C118 G119 S120 L122 N138 H140	C115-H117 PolarHBondContact O-N 3.44Å; C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 PolarHBondContact SG-N 3.15Å; C115-G119 WeakPolarHBondContact O-CA 3.4Å; C115-G119 PolarHBondContact O-N 3.45Å; C115-S120 WeakPolarHBondContact CB-O 3.45Å; C115-S120 PolarHBondContact N-O 3.34Å; C115-L122 HydrophobicContact CB-CD2 3.84Å; C115-N138 CarbonylContact C-O 3.55Å; C115-N138 WeakPolarHBondContact CA-O 3.44Å; C115-H140 WeakPolarHBondContact CB-CE1 3.34Å; C115-H140 VanDerWaalsContact CB-ND1 3.27Å; C115-H140 WeakPolarHBondContact CB-ND1 3.1Å; C115-H140 PolarHBondContact SG-N 3.12Å; C115-H140 PolarHBondContact SG-ND1 3.25Å; C115-H140 VanDerWaalsContact SG-ND1 3.37Å
116	D	89.2	Confident	78.5	Confident	57 Å²	57	43.6 Å²	43.6	31%	0.305	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.4	178.9	-67.7	-44.9	0	0	0	113.4	S51 F114 M137 N138	S51-D116 VanDerWaalsContact CB-O 3.25Å; S51-D116 WeakPolarHBondContact CB-O 3.48Å; F114-D116 PolarHBondContact O-N 3.33Å; D116-M137 HydrophobicContact CB-CE 3.76Å; D116-M137 HydrophobicContact CB-CG 3.77Å; D116-M137 WeakPolarHBondContact OD2-CA 3.27Å; D116-N138 PolarHBondContact N-O 3.01Å; D116-N138 PolarHBondContact OD2-N 3.33Å
117	H	89	Confident	77.9	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-49.8	-179.3	-179.5	72.2	0	0	0	113.6	S51 C70 F72 V73 C115 M137 V139 C143 N146 V147	S51-H117 VanDerWaalsContact OG-C 3.26Å; S51-H117 PolarHBondContact OG-O 3.23Å; C70-H117 PolarHBondContact O-NE2 3.39Å; F72-H117 WeakPolarHBondContact CA-O 3.13Å; F72-H117 AromaticContact CD2-CE1 3.93Å; F72-H117 AromaticContact CD2-ND1 3.64Å; F72-H117 WeakPolarHBondContact CD2-O 3.33Å; V73-H117 PolarHBondContact N-O 3.49Å; C115-H117 PolarHBondContact O-N 3.44Å; H117-M137 HydrophobicContact CB-CE 4.32Å; H117-V139 HydrophobicContact CB-CG1 4.14Å; H117-C143 HydrophobicContact CB-CB 4.28Å; H117-N146 PolarHBondContact CE1-O 3.05Å; H117-V147 HydrophobicContact CB-CG2 4.18Å
118	C	88.1	Confident	78	Confident	12 Å²	12	40.9 Å²	40.9	8%	0.081	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-6.3	179.6	75.4	0	0	0	0	112.9	V73 C115 S120 H140	V73-C118 WeakPolarHBondContact CB-O 3.48Å; V73-C118 WeakPolarHBondContact CG2-O 3.14Å; C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 PolarHBondContact SG-N 3.15Å; C118-S120 PolarHBondContact O-N 2.82Å; C118-S120 VanDerWaalsContact O-N 3.15Å; C118-H140 PolarHBondContact SG-CE1 3.3Å; C118-H140 PolarHBondContact SG-ND1 3.47Å
119	G	83.3	Confident	78.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.01	23%	0.228	C	C	.	.			trans	75.1	-9.4	178.1	0	0	0	0	0	115.5	T48 F49 C115	T48-G119 WeakPolarHBondContact CA-O 3.49Å; F49-G119 PolarHBondContact N-O 3.37Å; F49-G119 WeakPolarHBondContact O-CA 3.45Å; C115-G119 WeakPolarHBondContact O-CA 3.4Å; C115-G119 PolarHBondContact O-N 3.45Å
120	S	86.3	Confident	79.2	Confident	23 Å²	23	39.2 Å²	39.2	16%	0.161	23%	0.232	C	C	.	.	S	Bend	trans	-83.5	161.1	-177.3	-60.8	0	0	0	0	112.7	F114 C115 C118	F114-S120 CarbonylContact C-O 3.59Å; F114-S120 WeakPolarHBondContact CA-O 3.33Å; C115-S120 WeakPolarHBondContact CB-O 3.45Å; C115-S120 PolarHBondContact N-O 3.34Å; C118-S120 PolarHBondContact O-N 2.82Å; C118-S120 VanDerWaalsContact O-N 3.15Å
121	L	84.8	Confident	80.7	Confident	41 Å²	41	39.1 Å²	39.1	22%	0.215	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-61.7	140	178.9	-171.1	69.9	0	0	0	111.4	P112 T113 F114 Y123 H140	P112-L121 HydrophobicContact CB-CD1 3.85Å; T113-L121 WeakPolarHBondContact O-CD1 3.42Å; F114-L121 HydrophobicContact CD1-CB 4.11Å; F114-L121 HydrophobicContact CD1-CD1 4.18Å; F114-L121 HydrophobicContact CD2-CD1 4.34Å; F114-L121 HydrophobicContact CE1-CB 3.94Å; F114-L121 HydrophobicContact CE1-CD1 3.81Å; F114-L121 HydrophobicContact CE1-CG 4.49Å; F114-L121 HydrophobicContact CE2-CD1 3.99Å; F114-L121 HydrophobicContact CG-CD1 4.42Å; F114-L121 HydrophobicContact CZ-CD1 3.7Å; L121-Y123 HydrophobicContact CB-CD2 4.25Å; L121-Y123 HydrophobicContact CB-CE2 3.87Å; L121-Y123 HydrophobicContact CD2-CD1 4.17Å; L121-Y123 HydrophobicContact CD2-CE1 3.99Å; L121-Y123 WeakPolarHBondContact O-CD2 3.18Å; L121-Y123 WeakPolarHBondContact O-CE2 3.5Å; L121-Y123 PolarHBondContact O-N 3.47Å; L121-H140 PolarHBondContact O-CE1 2.92Å; L121-H140 PolarHBondContact O-NE2 3.01Å
122	L	82.7	Confident	81.5	Confident	7 Å²	7	37 Å²	37	4%	0.037	20%	0.2	C	C	.	.			trans	-78.6	98.3	166.2	-61.1	176.8	0	0	0	107.5	Y109 T113 C115 Q128 N138 H140	Y109-L122 HydrophobicContact CD2-CD1 4.02Å; Y109-L122 HydrophobicContact CE1-CD1 4.2Å; Y109-L122 HydrophobicContact CE2-CD1 3.45Å; Y109-L122 VanDerWaalsContact CE2-CD1 3.45Å; T113-L122 HydrophobicContact CG2-CD1 3.9Å; T113-L122 VanDerWaalsContact O-CB 3.29Å; T113-L122 WeakPolarHBondContact O-CB 3.33Å; T113-L122 WeakPolarHBondContact O-CG 3.38Å; T113-L122 PolarHBondContact O-N 3.17Å; C115-L122 HydrophobicContact CB-CD2 3.84Å; L122-Q128 HydrophobicContact CB-CB 3.89Å; L122-N138 HydrophobicContact CD1-CB 3.99Å; L122-H140 HydrophobicContact CD2-CB 4.39Å; L122-H140 VanDerWaalsContact CD2-CD2 3.5Å; L122-H140 WeakPolarHBondContact CD2-CD2 3.37Å
123	Y	72.4	Confident	82	Confident	77 Å²	77	36.2 Å²	36.2	30%	0.302	19%	0.189	S	C	.	.			trans	-75	152.1	-174.5	-73.7	-88.8	0	0	0	112.6	Q46 L121 Q128	Q46-Y123 PolarHBondContact OE1-OH 3.27Å; Q46-Y123 VanDerWaalsContact OE1-OH 3.11Å; L121-Y123 HydrophobicContact CB-CD2 4.25Å; L121-Y123 HydrophobicContact CB-CE2 3.87Å; L121-Y123 HydrophobicContact CD2-CD1 4.17Å; L121-Y123 HydrophobicContact CD2-CE1 3.99Å; L121-Y123 WeakPolarHBondContact O-CD2 3.18Å; L121-Y123 WeakPolarHBondContact O-CE2 3.5Å; L121-Y123 PolarHBondContact O-N 3.47Å; Y123-Q128 WeakPolarHBondContact O-CA 3.5Å; Y123-Q128 VanDerWaalsContact O-CB 3.26Å; Y123-Q128 WeakPolarHBondContact O-CB 3.33Å; Y123-Q128 WeakPolarHBondContact O-CG 3.06Å
124	G	55.3	Low	82	Confident	36 Å²	36	39.2 Å²	39.2	37%	0.371	21%	0.208	S	C	.	.	S	Bend	trans	109.6	167.1	177.5	0	0	0	0	0	113.8	Q128	G124-Q128 WeakPolarHBondContact O-CG 3.39Å; G124-Q128 PolarHBondContact O-NE2 3.49Å
125	L	51.2	Low	81.5	Confident	46 Å²	46	38.9 Å²	38.9	24%	0.241	21%	0.212	C	C	.	.	S	Bend	trans	-98.2	-22	-178.4	-57.4	164	0	0	0	111.7	Q128 M426	L125-Q128 PolarHBondContact O-NE2 3.48Å; L125-Q128 VanDerWaalsContact O-NE2 3.15Å; L125-M426 HydrophobicContact CB-CE 3.76Å; L125-M426 HydrophobicContact CD1-CE 3.63Å; L125-M426 HydrophobicContact CD2-CE 3.79Å; L125-M426 HydrophobicContact CG-CE 3.87Å
126	I	61.3	Low	81.3	Confident	85 Å²	85	43.4 Å²	43.4	44%	0.436	24%	0.236	S	C	.	.	S	Bend	trans	-139.9	150.3	174.9	57.3	170.8	0	0	0	110.7	T108 Q128	T108-I126 HydrophobicContact CG2-CB 4.34Å; T108-I126 HydrophobicContact CG2-CG2 4.2Å; I126-Q128 PolarHBondContact O-N 2.93Å; I126-Q128 VanDerWaalsContact O-N 3.08Å
127	H	77.6	Confident	81.3	Confident	96 Å²	96	41.8 Å²	41.8	44%	0.444	23%	0.227	S	C	.	.	S	Bend	trans	50.6	36.7	175.2	-56.9	155.3	0	0	0	113.8	I106 H107 T108 G129 K141	I106-H127 HydrophobicContact CG2-CB 3.64Å; H107-H127 CarbonylContact O-C 3.56Å; H107-H127 WeakPolarHBondContact O-CA 3.2Å; T108-H127 PolarHBondContact OG1-CD2 3.31Å; T108-H127 PolarHBondContact OG1-N 3.45Å; H127-G129 PolarHBondContact O-N 3.36Å; H127-G129 VanDerWaalsContact O-N 3.11Å; H127-K141 VanDerWaalsContact O-CE 3.25Å; H127-K141 WeakPolarHBondContact O-CE 3.34Å; H127-K141 PolarHBondContact O-NZ 3.35Å; H127-K141 VanDerWaalsContact O-NZ 3.1Å
128	Q	85	Confident	81.5	Confident	21 Å²	21	43.2 Å²	43.2	10%	0.098	23%	0.234	C	C	.	.			trans	-61.1	-24.3	-171.9	-59.4	91.4	-22.2	0	0	113	H107 Y109 L122 Y123 G124 L125 I126	H107-Q128 PolarHBondContact O-N 3.47Å; Y109-Q128 HydrophobicContact CD2-CB 4.01Å; Y109-Q128 PolarHBondContact O-NE2 3.02Å; Y109-Q128 VanDerWaalsContact O-NE2 3.1Å; L122-Q128 HydrophobicContact CB-CB 3.89Å; Y123-Q128 WeakPolarHBondContact O-CA 3.5Å; Y123-Q128 VanDerWaalsContact O-CB 3.26Å; Y123-Q128 WeakPolarHBondContact O-CB 3.33Å; Y123-Q128 WeakPolarHBondContact O-CG 3.06Å; G124-Q128 WeakPolarHBondContact O-CG 3.39Å; G124-Q128 PolarHBondContact O-NE2 3.49Å; L125-Q128 PolarHBondContact O-NE2 3.48Å; L125-Q128 VanDerWaalsContact O-NE2 3.15Å; I126-Q128 PolarHBondContact O-N 2.93Å; I126-Q128 VanDerWaalsContact O-N 3.08Å
129	G	88.5	Confident	81.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	-165.1	-177.8	0	0	0	0	0	113.2	H107 H127	H107-G129 PolarHBondContact N-O 2.93Å; H127-G129 PolarHBondContact O-N 3.36Å; H127-G129 VanDerWaalsContact O-N 3.11Å
130	M	93.8	Very high	82	Confident	30 Å²	30	43.8 Å²	43.8	15%	0.148	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.4	179.4	-56.2	-66.5	-73.6	0	0	108.6	F104 K105 I106 Y109 N138 V139 K141 V144	F104-M130 HydrophobicContact CB-CB 4.11Å; F104-M130 HydrophobicContact CB-CE 3.96Å; F104-M130 HydrophobicContact CD1-CB 3.99Å; F104-M130 HydrophobicContact CG-CB 4.3Å; K105-M130 CarbonylContact O-C 2.98Å; K105-M130 VanDerWaalsContact O-CA 3.25Å; K105-M130 WeakPolarHBondContact O-CA 3.33Å; I106-M130 HydrophobicContact CB-SD 4.21Å; I106-M130 HydrophobicContact CG1-CE 4.15Å; I106-M130 HydrophobicContact CG1-SD 3.48Å; I106-M130 WeakPolarHBondContact CG1-SD 3.29Å; Y109-M130 PolarHBondContact OH-O 2.88Å; M130-N138 WeakPolarHBondContact O-CA 3.35Å; M130-V139 HydrophobicContact CB-CG2 4.04Å; M130-V139 PolarHBondContact N-O 3.29Å; M130-V139 PolarHBondContact O-N 2.89Å; M130-K141 HydrophobicContact CG-CB 4.31Å; M130-K141 HydrophobicContact CG-CG 3.88Å; M130-K141 HydrophobicContact SD-CG 3.92Å; M130-V144 HydrophobicContact CB-CG2 3.99Å; M130-V144 HydrophobicContact CG-CG2 3.73Å
131	K	94.2	Very high	82.1	Confident	58 Å²	58	48.2 Å²	48.2	25%	0.252	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.3	174.6	-172.6	171.2	-176.8	-160.9	0	110	F104 K105 H107 D136 M137 N138	F104-K131 WeakPolarHBondContact CA-O 3.3Å; K105-K131 PolarHBondContact N-O 3.23Å; K105-K131 PolarHBondContact O-N 2.7Å; H107-K131 HydrophobicContact CB-CB 3.63Å; K131-D136 WeakPolarHBondContact CE-OD1 3.49Å; K131-D136 IonicContact NZ-OD1 3.11Å; K131-D136 PolarHBondContact NZ-OD1 3.15Å; K131-M137 CarbonylContact C-O 3.44Å; K131-M137 WeakPolarHBondContact CA-O 3.4Å; K131-N138 WeakPolarHBondContact CG-OD1 3.5Å
132	C	91	Very high	82	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.2	175.6	-173.2	0	0	0	0	110.7	H102 K103 F104 T134 D136 M137	H102-C132 PolarHBondContact ND1-SG 3.4Å; K103-C132 CarbonylContact O-C 3.27Å; K103-C132 WeakPolarHBondContact O-CA 3.48Å; F104-C132 HydrophobicContact CD1-CB 3.91Å; F104-C132 HydrophobicContact CE1-CB 3.72Å; F104-C132 HydrophobicContact CZ-CB 4.4Å; C132-T134 PolarHBondContact O-N 2.84Å; C132-D136 VanDerWaalsContact O-CA 3.31Å; C132-D136 WeakPolarHBondContact O-CA 3.41Å; C132-D136 PolarHBondContact O-N 3.12Å; C132-M137 HydrophobicContact CB-CB 4.1Å; C132-M137 PolarHBondContact N-O 2.99Å
133	D	86.9	Confident	82.3	Confident	90 Å²	90	51.8 Å²	51.8	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.7	179.1	-75.9	-15.7	0	0	0	113.7	K103 K105	K103-D133 PolarHBondContact O-N 2.99Å; K105-D133 VanDerWaalsContact CD-OD2 3.31Å; K105-D133 WeakPolarHBondContact CD-OD2 3.31Å; K105-D133 WeakPolarHBondContact CE-OD2 3.24Å; K105-D133 IonicContact NZ-OD1 3.03Å; K105-D133 IonicContact NZ-OD2 3.64Å; K105-D133 PolarHBondContact NZ-OD2 3.08Å
134	T	81.8	Confident	83	Confident	87 Å²	87	50.2 Å²	50.2	53%	0.534	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-44.6	-173.1	-49.6	0	0	0	0	112.6	C132 C151	C132-T134 PolarHBondContact O-N 2.84Å; T134-C151 VanDerWaalsContact CB-SG 3.57Å
135	C	78.4	Confident	84.3	Confident	47 Å²	47	55.1 Å²	55.1	32%	0.318	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	10.5	-171.4	71.6	0	0	0	0	113.5	H102 M137	H102-C135 PolarHBondContact CE1-SG 3.38Å; H102-C135 PolarHBondContact ND1-SG 2.9Å; H102-C135 VanDerWaalsContact ND1-SG 3.39Å; C135-M137 PolarHBondContact O-N 3.45Å
136	D	87.4	Confident	85.9	Confident	96 Å²	96	54.8 Å²	54.8	51%	0.513	28%	0.281	S	S	.	.			trans	56.8	16.8	179.3	-69	-58.7	0	0	0	115.5	K131 C132 N138	K131-D136 WeakPolarHBondContact CE-OD1 3.49Å; K131-D136 IonicContact NZ-OD1 3.11Å; K131-D136 PolarHBondContact NZ-OD1 3.15Å; C132-D136 VanDerWaalsContact O-CA 3.31Å; C132-D136 WeakPolarHBondContact O-CA 3.41Å; C132-D136 PolarHBondContact O-N 3.12Å; D136-N138 PolarHBondContact O-N 3.09Å; D136-N138 PolarHBondContact O-ND2 3.18Å; D136-N138 PolarHBondContact O-OD1 3.48Å
137	M	88.6	Confident	86.9	Confident	24 Å²	24	51.3 Å²	51.3	12%	0.118	26%	0.264	C	S	.	.			trans	-64.3	131.4	177.1	-171.9	-174.8	-172	0	0	110.5	F104 D116 H117 K131 C132 C135 V139 V147	F104-M137 HydrophobicContact CE1-CB 4.43Å; F104-M137 HydrophobicContact CZ-SD 4.15Å; D116-M137 HydrophobicContact CB-CE 3.76Å; D116-M137 HydrophobicContact CB-CG 3.77Å; D116-M137 WeakPolarHBondContact OD2-CA 3.27Å; H117-M137 HydrophobicContact CB-CE 4.32Å; K131-M137 CarbonylContact C-O 3.44Å; K131-M137 WeakPolarHBondContact CA-O 3.4Å; C132-M137 HydrophobicContact CB-CB 4.1Å; C132-M137 PolarHBondContact N-O 2.99Å; C135-M137 PolarHBondContact O-N 3.45Å; M137-V139 HydrophobicContact CE-CG1 3.69Å; M137-V139 HydrophobicContact CG-CG1 3.99Å; M137-V139 HydrophobicContact SD-CG1 4.09Å; M137-V147 HydrophobicContact CE-CG1 3.93Å; M137-V147 HydrophobicContact CE-CG2 4.13Å; M137-V147 HydrophobicContact SD-CG1 3.76Å
138	N	92.9	Very high	87	Confident	30 Å²	30	47.4 Å²	47.4	16%	0.16	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.9	-176.4	-50.3	-58	0	0	0	108.9	Y109 T113 C115 D116 L122 M130 K131 D136	Y109-N138 HydrophobicContact CE1-CB 3.95Å; Y109-N138 VanDerWaalsContact CE1-OD1 3.25Å; Y109-N138 WeakPolarHBondContact CE1-OD1 2.9Å; Y109-N138 VanDerWaalsContact OH-CB 3.31Å; Y109-N138 WeakPolarHBondContact OH-CB 3.13Å; Y109-N138 PolarHBondContact OH-OD1 2.94Å; T113-N138 HydrophobicContact CG2-CB 4.06Å; C115-N138 CarbonylContact C-O 3.55Å; C115-N138 WeakPolarHBondContact CA-O 3.44Å; D116-N138 PolarHBondContact N-O 3.01Å; D116-N138 PolarHBondContact OD2-N 3.33Å; L122-N138 HydrophobicContact CD1-CB 3.99Å; M130-N138 WeakPolarHBondContact O-CA 3.35Å; K131-N138 WeakPolarHBondContact CG-OD1 3.5Å; D136-N138 PolarHBondContact O-N 3.09Å; D136-N138 PolarHBondContact O-ND2 3.18Å; D136-N138 PolarHBondContact O-OD1 3.48Å
139	V	92.4	Very high	86.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.1	-177.5	-61.5	0	0	0	0	111.7	F104 H117 M130 M137 C143 V144 V147	F104-V139 HydrophobicContact CD1-CG2 3.85Å; F104-V139 HydrophobicContact CE1-CB 4.47Å; F104-V139 HydrophobicContact CE1-CG1 4.31Å; F104-V139 HydrophobicContact CE1-CG2 3.39Å; F104-V139 HydrophobicContact CE2-CG2 4.29Å; F104-V139 HydrophobicContact CG-CG2 4.5Å; F104-V139 HydrophobicContact CZ-CG1 4.27Å; F104-V139 HydrophobicContact CZ-CG2 3.64Å; H117-V139 HydrophobicContact CB-CG1 4.14Å; M130-V139 HydrophobicContact CB-CG2 4.04Å; M130-V139 PolarHBondContact N-O 3.29Å; M130-V139 PolarHBondContact O-N 2.89Å; M137-V139 HydrophobicContact CE-CG1 3.69Å; M137-V139 HydrophobicContact CG-CG1 3.99Å; M137-V139 HydrophobicContact SD-CG1 4.09Å; V139-C143 HydrophobicContact CB-CB 4.18Å; V139-V144 HydrophobicContact CG2-CG2 3.74Å; V139-V147 HydrophobicContact CB-CG2 4.46Å; V139-V147 HydrophobicContact CG1-CG2 3.86Å; V139-V147 HydrophobicContact CG2-CG2 4.5Å
140	H	90.4	Very high	86.1	Confident	25 Å²	25	49.9 Å²	49.9	12%	0.116	26%	0.264	C	S	.	.			trans	-61.6	152.5	168.1	-62.7	102.1	0	0	0	110.3	C115 C118 L121 L122 Q142 C143 V144	C115-H140 WeakPolarHBondContact CB-CE1 3.34Å; C115-H140 VanDerWaalsContact CB-ND1 3.27Å; C115-H140 WeakPolarHBondContact CB-ND1 3.1Å; C115-H140 PolarHBondContact SG-N 3.12Å; C115-H140 PolarHBondContact SG-ND1 3.25Å; C115-H140 VanDerWaalsContact SG-ND1 3.37Å; C118-H140 PolarHBondContact SG-CE1 3.3Å; C118-H140 PolarHBondContact SG-ND1 3.47Å; L121-H140 PolarHBondContact O-CE1 2.92Å; L121-H140 PolarHBondContact O-NE2 3.01Å; L122-H140 HydrophobicContact CD2-CB 4.39Å; L122-H140 VanDerWaalsContact CD2-CD2 3.5Å; L122-H140 WeakPolarHBondContact CD2-CD2 3.37Å; H140-Q142 HydrophobicContact CB-CG 3.96Å; H140-Q142 PolarHBondContact O-N 2.85Å; H140-C143 HydrophobicContact CB-CB 4.12Å; H140-C143 PolarHBondContact O-N 3.04Å; H140-V144 PolarHBondContact O-N 3.36Å
141	K	88	Confident	85.3	Confident	116 Å²	116	49 Å²	49	50%	0.504	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-51.5	-43.9	174.5	-64.4	173	-173.3	159.8	0	111.8	H127 M130 V144	H127-K141 VanDerWaalsContact O-CE 3.25Å; H127-K141 WeakPolarHBondContact O-CE 3.34Å; H127-K141 PolarHBondContact O-NZ 3.35Å; H127-K141 VanDerWaalsContact O-NZ 3.1Å; M130-K141 HydrophobicContact CG-CB 4.31Å; M130-K141 HydrophobicContact CG-CG 3.88Å; M130-K141 HydrophobicContact SD-CG 3.92Å; K141-V144 WeakPolarHBondContact O-CG2 3.44Å
142	Q	83.1	Confident	83.9	Confident	115 Å²	115	49.1 Å²	49.1	54%	0.537	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-72.8	-25.3	176.8	57	170.7	-28.8	0	0	114.5	H140 V144	H140-Q142 HydrophobicContact CB-CG 3.96Å; H140-Q142 PolarHBondContact O-N 2.85Å; Q142-V144 VanDerWaalsContact C-N 3.29Å; Q142-V144 PolarHBondContact O-N 3.32Å
143	C	88.4	Confident	82.7	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.061	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-74.8	-22.1	179.3	-70.3	0	0	0	0	112.1	H117 V139 H140 I145 N146 V147	H117-C143 HydrophobicContact CB-CB 4.28Å; V139-C143 HydrophobicContact CB-CB 4.18Å; H140-C143 HydrophobicContact CB-CB 4.12Å; H140-C143 PolarHBondContact O-N 3.04Å; C143-I145 VanDerWaalsContact C-N 3.26Å; C143-I145 PolarHBondContact O-N 3.39Å; C143-I145 VanDerWaalsContact O-N 3.14Å; C143-N146 CarbonylContact O-C 3.59Å; C143-N146 WeakPolarHBondContact O-CA 3.31Å; C143-N146 PolarHBondContact O-N 2.96Å; C143-V147 WeakPolarHBondContact O-CG2 3.46Å; C143-V147 PolarHBondContact O-N 3Å
144	V	87.8	Confident	81.7	Confident	43 Å²	43	54.8 Å²	54.8	26%	0.261	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-48.8	-44.6	-177.3	172.8	0	0	0	0	113	F104 M130 V139 H140 K141 Q142 N146 V147	F104-V144 HydrophobicContact CB-CG2 4.45Å; F104-V144 HydrophobicContact CD2-CB 4.41Å; F104-V144 HydrophobicContact CD2-CG1 3.69Å; F104-V144 HydrophobicContact CD2-CG2 4.08Å; F104-V144 HydrophobicContact CE2-CG1 4.2Å; F104-V144 HydrophobicContact CG-CG1 4.43Å; F104-V144 HydrophobicContact CG-CG2 4.18Å; M130-V144 HydrophobicContact CB-CG2 3.99Å; M130-V144 HydrophobicContact CG-CG2 3.73Å; V139-V144 HydrophobicContact CG2-CG2 3.74Å; H140-V144 PolarHBondContact O-N 3.36Å; K141-V144 WeakPolarHBondContact O-CG2 3.44Å; Q142-V144 VanDerWaalsContact C-N 3.29Å; Q142-V144 PolarHBondContact O-N 3.32Å; V144-N146 PolarHBondContact O-N 3.32Å; V144-V147 PolarHBondContact O-N 3.04Å
145	I	81.7	Confident	81	Confident	140 Å²	140	52.8 Å²	52.8	72%	0.718	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-69.4	-18.9	-177.6	62.7	168.8	0	0	0	113.4	C143	C143-I145 VanDerWaalsContact C-N 3.26Å; C143-I145 PolarHBondContact O-N 3.39Å; C143-I145 VanDerWaalsContact O-N 3.14Å
146	N	84	Confident	80.7	Confident	39 Å²	39	51.5 Å²	51.5	21%	0.209	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-104	-1.1	-175.9	-69.6	-43	0	0	0	112.5	C70 P87 H117 C143 V144	C70-N146 HydrophobicContact CB-CB 4.14Å; P87-N146 WeakPolarHBondContact CG-O 3.47Å; H117-N146 PolarHBondContact CE1-O 3.05Å; C143-N146 CarbonylContact O-C 3.59Å; C143-N146 WeakPolarHBondContact O-CA 3.31Å; C143-N146 PolarHBondContact O-N 2.96Å; V144-N146 PolarHBondContact O-N 3.32Å
147	V	83.7	Confident	80.4	Confident	12 Å²	12	47.3 Å²	47.3	7%	0.073	26%	0.259	C	S	.	.	S	Bend	trans	-78	133.2	174.6	174.4	0	0	0	0	109.3	F104 H117 M137 V139 C143 V144	F104-V147 HydrophobicContact CE2-CB 4.45Å; F104-V147 HydrophobicContact CE2-CG1 4.33Å; F104-V147 HydrophobicContact CE2-CG2 4.48Å; F104-V147 HydrophobicContact CZ-CG1 4.22Å; F104-V147 HydrophobicContact CZ-CG2 4.32Å; H117-V147 HydrophobicContact CB-CG2 4.18Å; M137-V147 HydrophobicContact CE-CG1 3.93Å; M137-V147 HydrophobicContact CE-CG2 4.13Å; M137-V147 HydrophobicContact SD-CG1 3.76Å; V139-V147 HydrophobicContact CB-CG2 4.46Å; V139-V147 HydrophobicContact CG1-CG2 3.86Å; V139-V147 HydrophobicContact CG2-CG2 4.5Å; C143-V147 WeakPolarHBondContact O-CG2 3.46Å; C143-V147 PolarHBondContact O-N 3Å; V144-V147 PolarHBondContact O-N 3.04Å
148	P	79.3	Confident	80	Confident	13 Å²	13	50.9 Å²	50.9	8%	0.084	27%	0.274	C	S	.	.			trans	-65.8	148.4	176.6	29.1	-36.7	0	0	0	112.1	F84 P87 H102 L150	F84-P148 HydrophobicContact CD1-CG 4.49Å; F84-P148 HydrophobicContact CD2-CB 3.84Å; F84-P148 HydrophobicContact CD2-CG 3.92Å; F84-P148 HydrophobicContact CE1-CG 4.33Å; F84-P148 HydrophobicContact CE2-CB 4.1Å; F84-P148 HydrophobicContact CE2-CG 3.75Å; F84-P148 HydrophobicContact CG-CB 4.3Å; F84-P148 HydrophobicContact CG-CG 4.3Å; F84-P148 HydrophobicContact CZ-CG 3.96Å; P87-P148 HydrophobicContact CG-CB 3.99Å; H102-P148 PolarHBondContact CD2-O 2.95Å; H102-P148 PolarHBondContact NE2-O 3.2Å; P148-L150 HydrophobicContact CB-CD1 3.95Å; P148-L150 HydrophobicContact CB-CG 4.09Å; P148-L150 HydrophobicContact CG-CD1 4.16Å; P148-L150 PolarHBondContact O-N 2.86Å
149	S	79.2	Confident	79.7	Confident	38 Å²	38	53.1 Å²	53.1	27%	0.266	28%	0.28	S	S	.	.	S	Bend	trans	-75.7	60.3	176.3	-61	0	0	0	0	112.3	S100	S100-S149 VanDerWaalsContact CB-O 3.26Å; S100-S149 WeakPolarHBondContact CB-O 3.2Å; S100-S149 CarbonylContact O-C 3.51Å; S100-S149 PolarHBondContact OG-O 3.31Å
150	L	75.3	Confident	79.6	Confident	35 Å²	35	53.1 Å²	53.1	18%	0.183	28%	0.28	C	S	.	.			trans	-121.6	31.4	-176.4	-63.1	174.2	0	0	0	112.2	F84 S100 P148 G152 M153 H155	F84-L150 HydrophobicContact CB-CD1 3.72Å; F84-L150 HydrophobicContact CD1-CD1 4.2Å; F84-L150 HydrophobicContact CG-CD1 4.06Å; S100-L150 PolarHBondContact O-N 3.42Å; P148-L150 HydrophobicContact CB-CD1 3.95Å; P148-L150 HydrophobicContact CB-CG 4.09Å; P148-L150 HydrophobicContact CG-CD1 4.16Å; P148-L150 PolarHBondContact O-N 2.86Å; L150-G152 PolarHBondContact O-N 2.83Å; L150-M153 HydrophobicContact CB-CB 4.35Å; L150-M153 HydrophobicContact CD2-CE 4.03Å; L150-M153 HydrophobicContact CD2-SD 3.68Å; L150-M153 WeakPolarHBondContact O-CB 3.37Å; L150-M153 PolarHBondContact O-N 2.82Å; L150-H155 HydrophobicContact CD1-CB 4.35Å
151	C	76.3	Confident	79.8	Confident	11 Å²	11	52.5 Å²	52.5	7%	0.074	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	128.5	-178.4	-172.7	0	0	0	0	111.6	S100 K101 H102 T134 M153	S100-C151 WeakPolarHBondContact O-CB 3.43Å; S100-C151 PolarHBondContact O-N 3.09Å; K101-C151 VanDerWaalsContact C-CB 3.49Å; H102-C151 HydrophobicContact CB-CB 4.28Å; H102-C151 PolarHBondContact NE2-N 3.43Å; T134-C151 VanDerWaalsContact CB-SG 3.57Å; C151-M153 PolarHBondContact O-N 3.48Å
152	G	64.6	Low	80.1	Confident	62 Å²	62	47 Å²	47	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-2.6	-176.7	0	0	0	0	0	114.5	L150	L150-G152 PolarHBondContact O-N 2.83Å
153	M	67.4	Low	80.8	Confident	107 Å²	107	43.1 Å²	43.1	53%	0.527	23%	0.234	S	C	.	.			trans	-93.9	121.7	171	-61.3	175.9	63.9	0	0	109.5	L150 C151 H155	L150-M153 HydrophobicContact CB-CB 4.35Å; L150-M153 HydrophobicContact CD2-CE 4.03Å; L150-M153 HydrophobicContact CD2-SD 3.68Å; L150-M153 WeakPolarHBondContact O-CB 3.37Å; L150-M153 PolarHBondContact O-N 2.82Å; C151-M153 PolarHBondContact O-N 3.48Å; M153-H155 PolarHBondContact O-N 3.47Å; M153-H155 PolarHBondContact O-ND1 3.01Å
154	D	64.3	Low	81.2	Confident	101 Å²	101	42.7 Å²	42.7	54%	0.54	23%	0.231	S	C	.	.			trans	-81.8	86.8	175.9	-171.2	3	0	0	0	110.9	T156 K276	D154-T156 PolarHBondContact OD1-N 3.24Å; D154-T156 PolarHBondContact OD1-OG1 2.8Å; D154-K276 IonicContact OD1-NZ 3.49Å; D154-K276 PolarHBondContact OD1-NZ 3.45Å; D154-K276 IonicContact OD2-NZ 2.71Å; D154-K276 PolarHBondContact OD2-NZ 3.22Å
155	H	68	Low	81.6	Confident	46 Å²	46	44.4 Å²	44.4	21%	0.213	24%	0.235	C	C	.	.			trans	-94.7	0.2	-179.5	59.8	-80.9	0	0	0	112.9	F84 L150 M153	F84-H155 AromaticContact CD1-CD2 3.95Å; F84-H155 AromaticContact CE1-CD2 3.91Å; L150-H155 HydrophobicContact CD1-CB 4.35Å; M153-H155 PolarHBondContact O-N 3.47Å; M153-H155 PolarHBondContact O-ND1 3.01Å
156	T	72.1	Confident	82.3	Confident	20 Å²	20	37.7 Å²	37.7	12%	0.123	20%	0.2	C	C	.	.			trans	-87.8	145.9	-179.4	64.1	0	0	0	0	110.3	H52 D154 K276	H52-T156 WeakPolarHBondContact O-CB 3.48Å; D154-T156 PolarHBondContact OD1-N 3.24Å; D154-T156 PolarHBondContact OD1-OG1 2.8Å; T156-K276 WeakPolarHBondContact O-CE 3.33Å; T156-K276 PolarHBondContact O-NZ 2.87Å
157	E	80.2	Confident	82.9	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.037	21%	0.207	C	C	.	.			trans	-116.6	59	177.2	-63.2	-180	-179.2	0	0	110.9	R159 G160 R161	E157-R159 PolarHBondContact O-N 2.93Å; E157-G160 PolarHBondContact O-N 3.39Å; E157-R161 VanDerWaalsContact CD-CZ 3.48Å; E157-R161 VanDerWaalsContact CD-NE 3.33Å; E157-R161 IonicContact OE1-CZ 3.64Å; E157-R161 IonicContact OE1-NE 2.76Å; E157-R161 PolarHBondContact OE1-NE 3.45Å; E157-R161 IonicContact OE1-NH1 2.82Å; E157-R161 IonicContact OE1-NH2 2.65Å; E157-R161 PolarHBondContact OE1-NH2 2.83Å; E157-R161 IonicContact OE2-CZ 2.77Å; E157-R161 IonicContact OE2-NE 2.67Å; E157-R161 PolarHBondContact OE2-NE 3.37Å; E157-R161 IonicContact OE2-NH2 3.78Å; E157-R161 PolarHBondContact OE2-NH2 3.34Å
158	K	80.9	Confident	83.4	Confident	99 Å²	99	40.7 Å²	40.7	43%	0.43	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-36.9	-172.1	-61.4	-174.5	-179.2	-176.2	0	114.7	T54 I184	T54-K158 HydrophobicContact CG2-CD 4.45Å; K158-I184 WeakPolarHBondContact O-CG2 3.44Å
159	R	87.8	Confident	84	Confident	76 Å²	76	42.1 Å²	42.1	29%	0.287	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	4.4	-178.3	-63	174.2	178	-78.9	-4.2	113.4	E157 M256 L277 L278	E157-R159 PolarHBondContact O-N 2.93Å; R159-M256 WeakPolarHBondContact CD-O 3.4Å; R159-M256 PolarHBondContact NH1-O 2.72Å; R159-L277 HydrophobicContact CB-CB 3.79Å; R159-L277 VanDerWaalsContact O-CD1 3.27Å; R159-L277 WeakPolarHBondContact O-CD1 3.3Å; R159-L278 VanDerWaalsContact CD-O 3.31Å; R159-L278 WeakPolarHBondContact CD-O 3.44Å
160	G	90.1	Very high	84.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.			trans	86.4	-166.8	-172.9	0	0	0	0	0	114.1	E157 K181 N182 L277	E157-G160 PolarHBondContact O-N 3.39Å; G160-K181 WeakPolarHBondContact CA-O 3.49Å; G160-N182 WeakPolarHBondContact CA-O 3.45Å; G160-N182 PolarHBondContact N-O 2.89Å; G160-L277 WeakPolarHBondContact O-CB 3.13Å; G160-L277 PolarHBondContact O-N 3.07Å
161	R	93	Very high	84.9	Confident	12 Å²	12	51 Å²	51	5%	0.045	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.1	-178.3	63.3	177.3	94.2	-175.7	-4	111.2	F81 E157 A180 K181 W274 Y275 I290	F81-R161 VanDerWaalsContact CB-NH2 3.28Å; E157-R161 VanDerWaalsContact CD-CZ 3.48Å; E157-R161 VanDerWaalsContact CD-NE 3.33Å; E157-R161 IonicContact OE1-CZ 3.64Å; E157-R161 IonicContact OE1-NE 2.76Å; E157-R161 PolarHBondContact OE1-NE 3.45Å; E157-R161 IonicContact OE1-NH1 2.82Å; E157-R161 IonicContact OE1-NH2 2.65Å; E157-R161 PolarHBondContact OE1-NH2 2.83Å; E157-R161 IonicContact OE2-CZ 2.77Å; E157-R161 IonicContact OE2-NE 2.67Å; E157-R161 PolarHBondContact OE2-NE 3.37Å; E157-R161 IonicContact OE2-NH2 3.78Å; E157-R161 PolarHBondContact OE2-NH2 3.34Å; R161-A180 CarbonylContact O-C 3.33Å; R161-A180 WeakPolarHBondContact O-CA 3.43Å; R161-A180 VanDerWaalsContact O-CB 3.3Å; R161-A180 WeakPolarHBondContact O-CB 3.46Å; R161-K181 HydrophobicContact CG-CB 3.86Å; R161-K181 PolarHBondContact N-O 2.96Å; R161-K181 PolarHBondContact O-N 3.01Å; R161-W274 HydrophobicContact CB-CE3 3.91Å; R161-W274 HydrophobicContact CB-CZ3 4.34Å; R161-W274 HydrophobicContact CG-CD2 4.39Å; R161-W274 HydrophobicContact CG-CE3 3.53Å; R161-W274 HydrophobicContact CG-CZ3 3.66Å; R161-Y275 CarbonylContact C-O 3.53Å; R161-Y275 VanDerWaalsContact CA-O 3.28Å; R161-Y275 WeakPolarHBondContact CA-O 3.42Å; R161-I290 HydrophobicContact CB-CD1 3.64Å
162	I	96.1	Very high	85.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.7	177.6	-173.9	170.4	0	0	0	110.7	L164 V177 A180 V196 V242 I244 L259 Y275 L277	I162-L164 HydrophobicContact CD1-CD2 3.87Å; I162-L164 HydrophobicContact CD1-CG 4.27Å; I162-L164 HydrophobicContact CG1-CD2 4.1Å; I162-L164 HydrophobicContact CG1-CG 4.1Å; I162-L164 HydrophobicContact CG2-CD1 4.12Å; I162-L164 HydrophobicContact CG2-CG 4.28Å; I162-V177 HydrophobicContact CD1-CG1 4.21Å; I162-A180 HydrophobicContact CB-CB 4.36Å; I162-A180 HydrophobicContact CG1-CB 4.42Å; I162-V196 HydrophobicContact CD1-CG2 4.16Å; I162-V242 HydrophobicContact CD1-CG1 4.37Å; I162-I244 HydrophobicContact CB-CD1 4.32Å; I162-I244 HydrophobicContact CD1-CD1 3.83Å; I162-I244 HydrophobicContact CD1-CG1 4.23Å; I162-I244 HydrophobicContact CG1-CD1 4.47Å; I162-L259 HydrophobicContact CG2-CD2 3.59Å; I162-Y275 PolarHBondContact N-O 3.29Å; I162-Y275 PolarHBondContact O-N 3.01Å; I162-L277 HydrophobicContact CB-CD2 4.34Å; I162-L277 HydrophobicContact CB-CG 4.49Å; I162-L277 HydrophobicContact CG2-CD2 3.84Å; I162-L277 HydrophobicContact CG2-CG 4.2Å
163	Y	96.8	Very high	87.3	Confident	34 Å²	34	51.9 Å²	51.9	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.5	172.1	-170.2	-78.1	0	0	0	110.1	R178 D179 S272 G273 W274	Y163-R178 HydrophobicContact CD1-CB 3.61Å; Y163-R178 HydrophobicContact CD1-CG 4.34Å; Y163-R178 VanDerWaalsContact CD2-CZ 3.46Å; Y163-R178 HydrophobicContact CE1-CB 4.44Å; Y163-R178 HydrophobicContact CG-CB 4.27Å; Y163-R178 VanDerWaalsContact CG-CZ 3.45Å; Y163-R178 PolarHBondContact O-N 2.72Å; Y163-D179 PolarHBondContact N-O 2.93Å; Y163-S272 PolarHBondContact OH-OG 2.94Å; Y163-G273 WeakPolarHBondContact CA-O 3.01Å; Y163-W274 AromaticContact CD2-CD1 3.93Å; Y163-W274 HydrophobicContact CD2-CD2 4.07Å; Y163-W274 AromaticContact CD2-CE2 3.9Å; Y163-W274 HydrophobicContact CD2-CG 4.06Å; Y163-W274 HydrophobicContact CD2-CZ2 4.45Å; Y163-W274 AromaticContact CD2-NE1 3.85Å; Y163-W274 VanDerWaalsContact N-CZ3 3.35Å
164	L	96.8	Very high	88.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.4	-179.7	-64.5	171.4	0	0	0	110.2	I162 V177 V242 L259 F261 S272 G273 Y275	I162-L164 HydrophobicContact CD1-CD2 3.87Å; I162-L164 HydrophobicContact CD1-CG 4.27Å; I162-L164 HydrophobicContact CG1-CD2 4.1Å; I162-L164 HydrophobicContact CG1-CG 4.1Å; I162-L164 HydrophobicContact CG2-CD1 4.12Å; I162-L164 HydrophobicContact CG2-CG 4.28Å; L164-V177 HydrophobicContact CD2-CB 4.36Å; L164-V177 HydrophobicContact CD2-CG1 4.43Å; L164-V177 HydrophobicContact CD2-CG2 3.9Å; L164-V242 HydrophobicContact CD1-CB 4.43Å; L164-V242 HydrophobicContact CD1-CG1 4.12Å; L164-V242 HydrophobicContact CD1-CG2 4.21Å; L164-V242 HydrophobicContact CD2-CG1 4.33Å; L164-L259 HydrophobicContact CD1-CD1 3.79Å; L164-L259 HydrophobicContact CD1-CD2 4.19Å; L164-L259 HydrophobicContact CD1-CG 4.43Å; L164-F261 HydrophobicContact CD1-CE2 3.88Å; L164-F261 HydrophobicContact CD1-CZ 4.38Å; L164-S272 WeakPolarHBondContact O-CA 3.49Å; L164-G273 PolarHBondContact N-O 3.28Å; L164-G273 PolarHBondContact O-N 3.1Å; L164-Y275 HydrophobicContact CB-CD2 4.25Å; L164-Y275 HydrophobicContact CB-CE2 4.36Å
165	K	97	Very high	90.3	Very high	78 Å²	78	45 Å²	45	34%	0.339	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.7	162.1	-174.8	-173.3	-179.2	-146.4	0	108.7	E167 V175 T176 A271	K165-E167 WeakPolarHBondContact CE-OE2 3.1Å; K165-E167 IonicContact NZ-OE1 2.85Å; K165-E167 PolarHBondContact NZ-OE1 2.92Å; K165-E167 IonicContact NZ-OE2 2.84Å; K165-E167 PolarHBondContact NZ-OE2 3.21Å; K165-V175 CarbonylContact O-C 3.59Å; K165-V175 WeakPolarHBondContact O-CA 3.48Å; K165-T176 PolarHBondContact N-O 3.36Å; K165-T176 PolarHBondContact O-N 2.99Å; K165-A271 CarbonylContact C-O 3.47Å; K165-A271 VanDerWaalsContact CA-O 3.29Å; K165-A271 WeakPolarHBondContact CA-O 3.39Å
166	A	96.3	Very high	91.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.1	177.3	0	0	0	0	0	110.6	L173 H174 V175 L240 L266 P270 A271	A166-L173 HydrophobicContact CB-CD1 4.46Å; A166-H174 CarbonylContact C-O 3.57Å; A166-H174 VanDerWaalsContact CA-O 3.29Å; A166-H174 WeakPolarHBondContact CA-O 3.32Å; A166-V175 HydrophobicContact CB-CG1 4.45Å; A166-V175 HydrophobicContact CB-CG2 4.37Å; A166-L240 HydrophobicContact CB-CD2 4.42Å; A166-L266 HydrophobicContact CB-CD1 4.06Å; A166-L266 HydrophobicContact CB-CD2 3.99Å; A166-P270 WeakPolarHBondContact O-CA 3.23Å; A166-A271 HydrophobicContact CB-CB 4.41Å; A166-A271 PolarHBondContact N-O 3.48Å; A166-A271 PolarHBondContact O-N 2.87Å
167	E	95.6	Very high	93	Very high	72 Å²	72	43.9 Å²	43.9	34%	0.336	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.1	-179	66.2	-164	165.3	0	0	110.9	K165 H174 P270	K165-E167 WeakPolarHBondContact CE-OE2 3.1Å; K165-E167 IonicContact NZ-OE1 2.85Å; K165-E167 PolarHBondContact NZ-OE1 2.92Å; K165-E167 IonicContact NZ-OE2 2.84Å; K165-E167 PolarHBondContact NZ-OE2 3.21Å; E167-H174 HydrophobicContact CG-CB 4.12Å; E167-H174 PolarHBondContact N-O 2.87Å; E167-H174 PolarHBondContact O-N 3.39Å; E167-P270 HydrophobicContact CB-CB 3.91Å
168	V	94.1	Very high	93.7	Very high	41 Å²	41	47 Å²	47	25%	0.248	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.4	175.5	-177.8	0	0	0	0	109	K172 L173 L231 L266 M267	V168-K172 WeakPolarHBondContact CA-O 3.47Å; V168-L173 HydrophobicContact CG2-CB 4.29Å; V168-L173 HydrophobicContact CG2-CD1 3.81Å; V168-L231 HydrophobicContact CG1-CD1 3.76Å; V168-L231 HydrophobicContact CG2-CD1 4.2Å; V168-L266 HydrophobicContact CG2-CB 4.01Å; V168-M267 HydrophobicContact CB-CG 4.28Å; V168-M267 HydrophobicContact CG1-CG 4.06Å; V168-M267 HydrophobicContact CG2-CG 4.13Å
169	A	91.5	Very high	94.4	Very high	43 Å²	43	42.7 Å²	42.7	36%	0.355	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.6	174.5	0	0	0	0	0	109.5	E171 K172	A169-E171 PolarHBondContact O-N 3.18Å; A169-K172 PolarHBondContact N-O 3.37Å; A169-K172 WeakPolarHBondContact O-CA 3.36Å; A169-K172 WeakPolarHBondContact O-CB 3.48Å; A169-K172 PolarHBondContact O-N 3.01Å; A169-K172 VanDerWaalsContact O-O 3.04Å
170	D	86.9	Confident	94.8	Very high	152 Å²	152	39.1 Å²	39.1	81%	0.813	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	49.7	175.7	-56.1	-36.9	0	0	0	114.6	K172	D170-K172 PolarHBondContact O-N 3.17Å; D170-K172 VanDerWaalsContact O-N 3.12Å
171	E	88.3	Confident	94.9	Very high	109 Å²	109	40.1 Å²	40.1	51%	0.509	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	22.4	-177.4	-58.8	-67	142.2	0	0	113.8	A169 L231	A169-E171 PolarHBondContact O-N 3.18Å; E171-L231 WeakPolarHBondContact O-CB 3.31Å; E171-L231 PolarHBondContact O-N 2.89Å
172	K	93.9	Very high	94.6	Very high	90 Å²	90	39.9 Å²	39.9	39%	0.391	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.5	174.4	-64.6	172.9	-170.6	165.9	0	110.2	V168 A169 D170 T228 F229	V168-K172 WeakPolarHBondContact CA-O 3.47Å; A169-K172 PolarHBondContact N-O 3.37Å; A169-K172 WeakPolarHBondContact O-CA 3.36Å; A169-K172 WeakPolarHBondContact O-CB 3.48Å; A169-K172 PolarHBondContact O-N 3.01Å; A169-K172 VanDerWaalsContact O-O 3.04Å; D170-K172 PolarHBondContact O-N 3.17Å; D170-K172 VanDerWaalsContact O-N 3.12Å; K172-T228 HydrophobicContact CB-CG2 3.96Å; K172-T228 HydrophobicContact CD-CG2 4.06Å; K172-T228 HydrophobicContact CG-CG2 4.24Å; K172-F229 CarbonylContact C-O 3.58Å; K172-F229 VanDerWaalsContact CA-O 3.32Å; K172-F229 WeakPolarHBondContact CA-O 3.47Å
173	L	96.2	Very high	94.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.1	169.9	169.3	62.9	0	0	0	108.7	A166 V168 V175 L200 T228 F229 L231 L240 L266	A166-L173 HydrophobicContact CB-CD1 4.46Å; V168-L173 HydrophobicContact CG2-CB 4.29Å; V168-L173 HydrophobicContact CG2-CD1 3.81Å; L173-V175 HydrophobicContact CD1-CG2 4.05Å; L173-V175 HydrophobicContact CD2-CG2 4.24Å; L173-V175 HydrophobicContact CG-CG2 3.79Å; L173-L200 HydrophobicContact CD2-CD2 4.13Å; L173-T228 CarbonylContact O-C 3.52Å; L173-T228 WeakPolarHBondContact O-CA 3.41Å; L173-F229 HydrophobicContact CB-CB 4.22Å; L173-F229 HydrophobicContact CD2-CD2 4.4Å; L173-F229 HydrophobicContact CG-CD2 4.45Å; L173-F229 PolarHBondContact N-O 3.41Å; L173-F229 PolarHBondContact O-N 2.8Å; L173-L231 HydrophobicContact CB-CD1 4.07Å; L173-L231 HydrophobicContact CB-CD2 3.97Å; L173-L231 HydrophobicContact CB-CG 4.12Å; L173-L240 HydrophobicContact CD2-CB 4.21Å; L173-L240 HydrophobicContact CD2-CD1 4.18Å; L173-L240 HydrophobicContact CD2-CD2 4.2Å; L173-L240 HydrophobicContact CD2-CG 4.42Å; L173-L266 HydrophobicContact CD1-CD1 3.8Å
174	H	97.4	Very high	93.6	Very high	62 Å²	62	39.3 Å²	39.3	29%	0.287	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.6	173.7	-65	-70.5	0	0	0	109.5	A166 E167 F227 T228	A166-H174 CarbonylContact C-O 3.57Å; A166-H174 VanDerWaalsContact CA-O 3.29Å; A166-H174 WeakPolarHBondContact CA-O 3.32Å; E167-H174 HydrophobicContact CG-CB 4.12Å; E167-H174 PolarHBondContact N-O 2.87Å; E167-H174 PolarHBondContact O-N 3.39Å; H174-F227 WeakPolarHBondContact CA-O 3.32Å; H174-T228 PolarHBondContact ND1-OG1 3.02Å; H174-T228 VanDerWaalsContact ND1-OG1 3.14Å
175	V	97.7	Very high	92.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.6	-179.6	-170.5	0	0	0	0	109.5	K165 A166 L173 L198 S226 F227 F229 L240	K165-V175 CarbonylContact O-C 3.59Å; K165-V175 WeakPolarHBondContact O-CA 3.48Å; A166-V175 HydrophobicContact CB-CG1 4.45Å; A166-V175 HydrophobicContact CB-CG2 4.37Å; L173-V175 HydrophobicContact CD1-CG2 4.05Å; L173-V175 HydrophobicContact CD2-CG2 4.24Å; L173-V175 HydrophobicContact CG-CG2 3.79Å; V175-L198 HydrophobicContact CB-CD2 4.12Å; V175-L198 HydrophobicContact CG1-CD2 3.54Å; V175-S226 CarbonylContact O-C 3.52Å; V175-S226 WeakPolarHBondContact O-CA 3.34Å; V175-F227 PolarHBondContact N-O 2.99Å; V175-F227 PolarHBondContact O-N 3.37Å; V175-F229 HydrophobicContact CG2-CD2 4.29Å; V175-F229 HydrophobicContact CG2-CE2 4.14Å; V175-L240 HydrophobicContact CB-CD2 4.49Å; V175-L240 HydrophobicContact CG1-CD2 4.1Å; V175-L240 HydrophobicContact CG2-CD1 4.26Å; V175-L240 HydrophobicContact CG2-CD2 3.55Å
176	T	97.8	Very high	92.3	Very high	42 Å²	42	39.9 Å²	39.9	26%	0.258	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.1	174.3	-60.4	0	0	0	0	109.6	K165 E225 S226	K165-T176 PolarHBondContact N-O 3.36Å; K165-T176 PolarHBondContact O-N 2.99Å; T176-E225 WeakPolarHBondContact CA-O 3.25Å; T176-S226 PolarHBondContact OG1-OG 2.78Å
177	V	97.9	Very high	91.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.3	172.9	-179.4	0	0	0	0	107.7	I162 L164 V196 L198 T212 W223 N224 E225 F227	I162-V177 HydrophobicContact CD1-CG1 4.21Å; L164-V177 HydrophobicContact CD2-CB 4.36Å; L164-V177 HydrophobicContact CD2-CG1 4.43Å; L164-V177 HydrophobicContact CD2-CG2 3.9Å; V177-V196 HydrophobicContact CG1-CB 4.19Å; V177-V196 HydrophobicContact CG1-CG1 4.39Å; V177-V196 HydrophobicContact CG1-CG2 3.74Å; V177-V196 HydrophobicContact CG2-CG1 4.25Å; V177-L198 HydrophobicContact CG2-CD1 4.16Å; V177-L198 HydrophobicContact CG2-CD2 4.18Å; V177-T212 HydrophobicContact CB-CG2 4.16Å; V177-T212 HydrophobicContact CG1-CG2 4.17Å; V177-T212 HydrophobicContact CG2-CG2 4.38Å; V177-W223 HydrophobicContact CG1-CB 4.44Å; V177-W223 HydrophobicContact CG1-CD2 4.22Å; V177-W223 HydrophobicContact CG1-CE3 3.72Å; V177-W223 HydrophobicContact CG1-CZ3 4.28Å; V177-N224 WeakPolarHBondContact O-CA 3.36Å; V177-N224 PolarHBondContact O-N 2.98Å; V177-N224 VanDerWaalsContact O-N 3.1Å; V177-E225 PolarHBondContact N-O 3.3Å; V177-E225 PolarHBondContact O-N 3.12Å; V177-F227 HydrophobicContact CG2-CD2 4.38Å; V177-F227 HydrophobicContact CG2-CE2 4.17Å
178	R	96.6	Very high	89.8	Confident	74 Å²	74	44 Å²	44	28%	0.279	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-74.6	-174.2	-164.2	-176.2	72.6	-179.8	2.5	110.8	Y163 Q222 W223 N224	Y163-R178 HydrophobicContact CD1-CB 3.61Å; Y163-R178 HydrophobicContact CD1-CG 4.34Å; Y163-R178 VanDerWaalsContact CD2-CZ 3.46Å; Y163-R178 HydrophobicContact CE1-CB 4.44Å; Y163-R178 HydrophobicContact CG-CB 4.27Å; Y163-R178 VanDerWaalsContact CG-CZ 3.45Å; Y163-R178 PolarHBondContact O-N 2.72Å; R178-Q222 CarbonylContact O-C 3.59Å; R178-W223 PolarHBondContact O-N 3.19Å; R178-N224 VanDerWaalsContact CG-OD1 3.24Å; R178-N224 WeakPolarHBondContact CG-OD1 3.01Å; R178-N224 PolarHBondContact O-N 3.37Å
179	D	95.3	Very high	88.7	Confident	9 Å²	9	46.2 Å²	46.2	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	161	-176.2	65	-50.1	0	0	0	112.1	Y163 P221 Q222 W274	Y163-D179 PolarHBondContact N-O 2.93Å; D179-P221 CarbonylContact C-O 3.5Å; D179-P221 VanDerWaalsContact CA-O 3.22Å; D179-P221 WeakPolarHBondContact CA-O 3.41Å; D179-P221 VanDerWaalsContact CB-O 3.27Å; D179-P221 WeakPolarHBondContact CB-O 3.39Å; D179-Q222 HydrophobicContact CB-CB 4.31Å; D179-Q222 HydrophobicContact CB-CG 3.85Å; D179-W274 VanDerWaalsContact OD2-CH2 3.25Å; D179-W274 WeakPolarHBondContact OD2-CH2 3.38Å
180	A	95.5	Very high	87.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.9	168.1	0	0	0	0	0	110.2	R161 I162 L183 N220 P221 W223 I244	R161-A180 CarbonylContact O-C 3.33Å; R161-A180 WeakPolarHBondContact O-CA 3.43Å; R161-A180 VanDerWaalsContact O-CB 3.3Å; R161-A180 WeakPolarHBondContact O-CB 3.46Å; I162-A180 HydrophobicContact CB-CB 4.36Å; I162-A180 HydrophobicContact CG1-CB 4.42Å; A180-L183 HydrophobicContact CB-CD1 4Å; A180-L183 HydrophobicContact CB-CD2 3.91Å; A180-L183 HydrophobicContact CB-CG 4.01Å; A180-N220 CarbonylContact O-C 3.59Å; A180-N220 WeakPolarHBondContact O-CA 3.15Å; A180-P221 HydrophobicContact CB-CG 3.94Å; A180-P221 PolarHBondContact N-O 3.47Å; A180-W223 HydrophobicContact CB-CH2 3.94Å; A180-W223 HydrophobicContact CB-CZ3 3.71Å; A180-I244 HydrophobicContact CB-CD1 4.19Å
181	K	91.4	Very high	87.6	Confident	22 Å²	22	40.7 Å²	40.7	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148	179.7	-68.1	174.8	-175	175.4	0	110.4	F81 G160 R161 L183 N220 W274 E295	F81-K181 HydrophobicContact CE1-CB 4.08Å; F81-K181 HydrophobicContact CE1-CD 4.22Å; F81-K181 HydrophobicContact CZ-CB 4.11Å; G160-K181 WeakPolarHBondContact CA-O 3.49Å; R161-K181 HydrophobicContact CG-CB 3.86Å; R161-K181 PolarHBondContact N-O 2.96Å; R161-K181 PolarHBondContact O-N 3.01Å; K181-L183 VanDerWaalsContact C-N 3.29Å; K181-L183 PolarHBondContact O-N 2.75Å; K181-N220 VanDerWaalsContact CA-OD1 3.32Å; K181-N220 WeakPolarHBondContact CA-OD1 3.43Å; K181-W274 HydrophobicContact CB-CH2 4.31Å; K181-W274 HydrophobicContact CB-CZ3 4.41Å; K181-W274 HydrophobicContact CD-CH2 3.56Å; K181-W274 HydrophobicContact CD-CZ2 3.7Å; K181-W274 HydrophobicContact CD-CZ3 4.33Å; K181-W274 HydrophobicContact CG-CH2 3.63Å; K181-W274 HydrophobicContact CG-CZ2 4.29Å; K181-W274 HydrophobicContact CG-CZ3 4.22Å; K181-E295 IonicContact NZ-OE1 3.82Å; K181-E295 PolarHBondContact NZ-OE1 3.45Å
182	N	87.8	Confident	87.6	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.032	19%	0.189	C	C	.	.	S	Bend	trans	55.7	39.2	176.6	-160.7	34.1	0	0	0	113.8	H52 F81 G160 L219 N220	H52-N182 PolarHBondContact NE2-ND2 2.86Å; F81-N182 HydrophobicContact CD2-CB 3.58Å; F81-N182 HydrophobicContact CE2-CB 3.48Å; F81-N182 VanDerWaalsContact CE2-CB 3.48Å; F81-N182 HydrophobicContact CG-CB 4.26Å; F81-N182 HydrophobicContact CZ-CB 4.05Å; G160-N182 WeakPolarHBondContact CA-O 3.45Å; G160-N182 PolarHBondContact N-O 2.89Å; N182-L219 PolarHBondContact N-O 2.98Å; N182-N220 PolarHBondContact N-OD1 2.86Å
183	L	88.9	Confident	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-64.1	154.5	176	-65.4	-175.8	0	0	0	111.3	A180 K181 P194 L219 P221 I244 M256 L277	A180-L183 HydrophobicContact CB-CD1 4Å; A180-L183 HydrophobicContact CB-CD2 3.91Å; A180-L183 HydrophobicContact CB-CG 4.01Å; K181-L183 VanDerWaalsContact C-N 3.29Å; K181-L183 PolarHBondContact O-N 2.75Å; L183-P194 HydrophobicContact CD1-CB 3.77Å; L183-P194 HydrophobicContact CD1-CG 3.98Å; L183-L219 HydrophobicContact CB-CB 4.39Å; L183-L219 HydrophobicContact CB-CD2 4.48Å; L183-L219 WeakPolarHBondContact CB-O 3.46Å; L183-L219 PolarHBondContact N-O 3.37Å; L183-L219 WeakPolarHBondContact O-CD2 3.49Å; L183-P221 HydrophobicContact CD1-CG 3.7Å; L183-I244 HydrophobicContact CD1-CG2 4.3Å; L183-I244 HydrophobicContact CD2-CD1 3.98Å; L183-M256 HydrophobicContact CB-CE 3.8Å; L183-M256 HydrophobicContact CD1-CE 3.94Å; L183-M256 HydrophobicContact CG-CE 4.39Å; L183-L277 HydrophobicContact CD2-CD1 3.35Å
184	I	82.9	Confident	87.6	Confident	23 Å²	23	32 Å²	32	12%	0.118	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69.1	136.9	174.7	53	173.8	0	0	0	110.6	K158 M186 S192 M256	K158-I184 WeakPolarHBondContact O-CG2 3.44Å; I184-M186 HydrophobicContact CB-SD 4.49Å; I184-M186 HydrophobicContact CD1-SD 3.55Å; I184-M186 VanDerWaalsContact CD1-SD 3.55Å; I184-M186 HydrophobicContact CG1-CG 4.37Å; I184-M186 HydrophobicContact CG1-SD 3.76Å; I184-S192 PolarHBondContact O-OG 2.83Å; I184-M256 HydrophobicContact CD1-CB 4.45Å; I184-M256 HydrophobicContact CG1-CB 4.28Å; I184-M256 HydrophobicContact CG1-CE 4.32Å; I184-M256 WeakPolarHBondContact O-CE 3.43Å
185	P	82.8	Confident	87.6	Confident	32 Å²	32	29.7 Å²	29.7	21%	0.208	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-72.1	126.9	173.3	32.5	-34.5	0	0	0	109.5	R77 G190 L191 S192 L219	R77-P185 VanDerWaalsContact NH2-CD 3.32Å; P185-G190 WeakPolarHBondContact CB-O 3.39Å; P185-L191 WeakPolarHBondContact CA-O 3.42Å; P185-S192 WeakPolarHBondContact CA-OG 3.25Å; P185-L219 HydrophobicContact CB-CD1 4.41Å; P185-L219 HydrophobicContact CB-CD2 4.22Å
186	M	83.3	Confident	87.6	Confident	58 Å²	58	29.6 Å²	29.6	29%	0.286	16%	0.163	S	C	.	.			trans	-112.3	-24.5	-179.9	-60.7	-56	-72.6	0	0	111	I184 L191 S192 D246 D254 M256	I184-M186 HydrophobicContact CB-SD 4.49Å; I184-M186 HydrophobicContact CD1-SD 3.55Å; I184-M186 VanDerWaalsContact CD1-SD 3.55Å; I184-M186 HydrophobicContact CG1-CG 4.37Å; I184-M186 HydrophobicContact CG1-SD 3.76Å; M186-L191 PolarHBondContact N-O 2.83Å; M186-L191 VanDerWaalsContact N-O 3.07Å; M186-S192 PolarHBondContact N-OG 3.14Å; M186-D246 HydrophobicContact CB-CB 3.82Å; M186-D246 WeakPolarHBondContact CB-OD2 3.25Å; M186-D246 HydrophobicContact CG-CB 3.96Å; M186-D254 HydrophobicContact CE-CB 3.41Å; M186-D254 VanDerWaalsContact CE-CB 3.41Å; M186-M256 HydrophobicContact CG-CE 4.03Å; M186-M256 HydrophobicContact CG-CG 3.95Å; M186-M256 HydrophobicContact CG-SD 4.47Å
187	D	76.2	Confident	87.6	Confident	30 Å²	30	28.7 Å²	28.7	16%	0.16	16%	0.155	C	C	.	.	S	Bend	trans	-90	151.8	178.1	-71.4	-50.2	0	0	0	113.1	N189 G190 L191 S192	D187-N189 WeakPolarHBondContact CB-OD1 3.43Å; D187-N189 PolarHBondContact O-N 3.07Å; D187-G190 PolarHBondContact O-N 3.47Å; D187-L191 WeakPolarHBondContact CB-O 3.45Å; D187-L191 PolarHBondContact N-O 2.81Å; D187-S192 VanDerWaalsContact OD2-CA 3.32Å; D187-S192 WeakPolarHBondContact OD2-CA 3.28Å
188	P	64.1	Low	87.6	Confident	128 Å²	128	28.7 Å²	28.7	83%	0.831	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.1	172.9	-25.7	34.4	0	0	0	115.1	G190	P188-G190 PolarHBondContact O-N 2.81Å
189	N	70.7	Confident	87.6	Confident	89 Å²	89	27.3 Å²	27.3	48%	0.476	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.8	176.1	66.2	14.2	0	0	0	112.9	D187 L191	D187-N189 WeakPolarHBondContact CB-OD1 3.43Å; D187-N189 PolarHBondContact O-N 3.07Å; N189-L191 VanDerWaalsContact C-N 3.33Å; N189-L191 WeakPolarHBondContact OD1-CA 3.44Å; N189-L191 VanDerWaalsContact OD1-CB 3.26Å; N189-L191 WeakPolarHBondContact OD1-CB 3.28Å; N189-L191 PolarHBondContact OD1-N 2.69Å
190	G	69.9	Low	87.6	Confident	15 Å²	15	27.1 Å²	27.1	16%	0.155	15%	0.151	C	C	.	.	S	Bend	trans	77.4	16.2	-177	0	0	0	0	0	114.2	P185 D187 P188	P185-G190 WeakPolarHBondContact CB-O 3.39Å; D187-G190 PolarHBondContact O-N 3.47Å; P188-G190 PolarHBondContact O-N 2.81Å
191	L	84.8	Confident	87.3	Confident	63 Å²	63	27.9 Å²	27.9	33%	0.33	15%	0.154	S	C	.	.			trans	-124.8	-166.2	176.8	-55.9	167.7	0	0	0	108.9	P185 M186 D187 N189 S217 L219	P185-L191 WeakPolarHBondContact CA-O 3.42Å; M186-L191 PolarHBondContact N-O 2.83Å; M186-L191 VanDerWaalsContact N-O 3.07Å; D187-L191 WeakPolarHBondContact CB-O 3.45Å; D187-L191 PolarHBondContact N-O 2.81Å; N189-L191 VanDerWaalsContact C-N 3.33Å; N189-L191 WeakPolarHBondContact OD1-CA 3.44Å; N189-L191 VanDerWaalsContact OD1-CB 3.26Å; N189-L191 WeakPolarHBondContact OD1-CB 3.28Å; N189-L191 PolarHBondContact OD1-N 2.69Å; L191-S217 WeakPolarHBondContact CD1-O 3.35Å; L191-L219 HydrophobicContact CD2-CD1 4.45Å; L191-L219 HydrophobicContact CD2-CG 4.05Å
192	S	88.6	Confident	87.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.			trans	-148.8	161.5	175.9	-47.2	0	0	0	0	108.9	I184 P185 M186 D187 P194 S217 T218 L219 D246	I184-S192 PolarHBondContact O-OG 2.83Å; P185-S192 WeakPolarHBondContact CA-OG 3.25Å; M186-S192 PolarHBondContact N-OG 3.14Å; D187-S192 VanDerWaalsContact OD2-CA 3.32Å; D187-S192 WeakPolarHBondContact OD2-CA 3.28Å; S192-P194 WeakPolarHBondContact O-CD 3.17Å; S192-S217 CarbonylContact O-C 3.48Å; S192-S217 VanDerWaalsContact O-CA 3.25Å; S192-S217 WeakPolarHBondContact O-CA 3.3Å; S192-S217 PolarHBondContact O-N 3.26Å; S192-T218 PolarHBondContact O-N 3.09Å; S192-T218 VanDerWaalsContact O-O 3.12Å; S192-L219 WeakPolarHBondContact OG-CD2 3.33Å; S192-D246 WeakPolarHBondContact CB-OD1 3.32Å
193	D	94.2	Very high	87.1	Confident	18 Å²	18	32.7 Å²	32.7	10%	0.096	19%	0.187	C	C	.	.			trans	-104.2	65.4	169.1	-74.4	-7.9	0	0	0	111.1	T214 I215 R216 S217 D246 W247	D193-T214 HydrophobicContact CB-CG2 3.95Å; D193-T214 WeakPolarHBondContact O-CG2 3.1Å; D193-I215 CarbonylContact C-O 3.58Å; D193-I215 VanDerWaalsContact CA-O 3.26Å; D193-I215 WeakPolarHBondContact CA-O 3.46Å; D193-R216 WeakPolarHBondContact OD1-CA 3.32Å; D193-R216 WeakPolarHBondContact OD1-CB 3.42Å; D193-S217 PolarHBondContact OD1-N 3.17Å; D193-D246 WeakPolarHBondContact CA-OD1 3.39Å; D193-D246 PolarHBondContact N-OD1 2.55Å; D193-W247 HydrophobicContact CB-CB 4.27Å; D193-W247 WeakPolarHBondContact CB-O 3.46Å; D193-W247 WeakPolarHBondContact O-CB 3.26Å; D193-W247 PolarHBondContact O-N 2.89Å
194	P	96.6	Very high	86.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.6	-168.1	31.5	-40.9	0	0	0	114.3	L183 S192 I215 T218 P221 W223 I244 W245 M256	L183-P194 HydrophobicContact CD1-CB 3.77Å; L183-P194 HydrophobicContact CD1-CG 3.98Å; S192-P194 WeakPolarHBondContact O-CD 3.17Å; P194-I215 WeakPolarHBondContact CD-O 3.43Å; P194-I215 PolarHBondContact O-N 3.49Å; P194-I215 VanDerWaalsContact O-N 3.08Å; P194-T218 WeakPolarHBondContact CD-O 3.28Å; P194-T218 HydrophobicContact CG-CG2 4.19Å; P194-P221 HydrophobicContact CB-CG 4.22Å; P194-P221 HydrophobicContact CG-CB 3.71Å; P194-P221 HydrophobicContact CG-CG 3.54Å; P194-W223 HydrophobicContact CB-CH2 4.42Å; P194-W223 HydrophobicContact CB-CZ2 3.92Å; P194-W223 HydrophobicContact CG-CZ2 4.19Å; P194-W223 PolarHBondContact O-NE1 3.49Å; P194-I244 HydrophobicContact CB-CG2 4.05Å; P194-W245 CarbonylContact C-O 3.54Å; P194-W245 VanDerWaalsContact CA-O 3.31Å; P194-W245 WeakPolarHBondContact CA-O 3.49Å; P194-M256 HydrophobicContact CB-CE 4.36Å; P194-M256 HydrophobicContact CB-SD 3.86Å
195	Y	97.6	Very high	86.5	Confident	12 Å²	12	45 Å²	45	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.4	164.8	73.8	-79.4	0	0	0	110.9	K211 I244 W245 W247 N253	Y195-K211 HydrophobicContact CD2-CB 4.29Å; Y195-K211 HydrophobicContact CD2-CD 4.35Å; Y195-K211 HydrophobicContact CE2-CD 4.4Å; Y195-I244 WeakPolarHBondContact O-CA 3.36Å; Y195-W245 HydrophobicContact CD1-CB 3.98Å; Y195-W245 VanDerWaalsContact CD1-O 3.27Å; Y195-W245 WeakPolarHBondContact CD1-O 3.45Å; Y195-W245 HydrophobicContact CE1-CB 3.3Å; Y195-W245 HydrophobicContact CE1-CG 4.34Å; Y195-W245 HydrophobicContact CE2-CB 4.07Å; Y195-W245 HydrophobicContact CE2-CG 4.46Å; Y195-W245 AromaticContact CZ-CG 3.91Å; Y195-W245 PolarHBondContact N-O 3.41Å; Y195-W245 PolarHBondContact O-N 3.21Å; Y195-W245 VanDerWaalsContact OH-CB 3.32Å; Y195-W245 WeakPolarHBondContact OH-CB 3.25Å; Y195-W247 HydrophobicContact CD1-CB 3.85Å; Y195-W247 HydrophobicContact CE1-CB 4.09Å; Y195-N253 HydrophobicContact CE1-CB 4.18Å; Y195-N253 WeakPolarHBondContact CE1-ND2 3.27Å; Y195-N253 PolarHBondContact OH-ND2 2.75Å
196	V	98.1	Very high	86.4	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.7	-179.4	-174.4	0	0	0	0	109.9	I162 V177 L198 K211 T212 W223 V242 E243 I244	I162-V196 HydrophobicContact CD1-CG2 4.16Å; V177-V196 HydrophobicContact CG1-CB 4.19Å; V177-V196 HydrophobicContact CG1-CG1 4.39Å; V177-V196 HydrophobicContact CG1-CG2 3.74Å; V177-V196 HydrophobicContact CG2-CG1 4.25Å; V196-L198 HydrophobicContact CG1-CD1 4.39Å; V196-L198 HydrophobicContact CG1-CG 4.38Å; V196-K211 CarbonylContact O-C 3.21Å; V196-K211 WeakPolarHBondContact O-CA 3.15Å; V196-K211 WeakPolarHBondContact O-CB 3.49Å; V196-T212 HydrophobicContact CB-CG2 3.89Å; V196-T212 HydrophobicContact CG2-CG2 4.44Å; V196-T212 PolarHBondContact N-OG1 3.46Å; V196-T212 PolarHBondContact O-N 3.28Å; V196-W223 HydrophobicContact CG2-CD2 4.18Å; V196-W223 HydrophobicContact CG2-CE3 4.11Å; V196-W223 HydrophobicContact CG2-CH2 3.61Å; V196-W223 HydrophobicContact CG2-CZ2 3.73Å; V196-W223 HydrophobicContact CG2-CZ3 3.83Å; V196-V242 HydrophobicContact CG1-CG1 3.59Å; V196-E243 CarbonylContact C-O 3.59Å; V196-E243 WeakPolarHBondContact CA-O 3.49Å; V196-I244 HydrophobicContact CG2-CG1 4.15Å
197	K	97.3	Very high	86.6	Confident	23 Å²	23	52.1 Å²	52.1	10%	0.1	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.5	174.2	-171	-164.1	-55.9	155.7	0	108.8	K209 E243	K197-K209 HydrophobicContact CD-CD 4.23Å; K197-K209 HydrophobicContact CD-CG 4.34Å; K197-K209 HydrophobicContact CG-CD 4.38Å; K197-K209 HydrophobicContact CG-CG 4.03Å; K197-E243 HydrophobicContact CB-CB 4.48Å; K197-E243 PolarHBondContact N-O 3.33Å; K197-E243 IonicContact NZ-OE2 3.19Å; K197-E243 PolarHBondContact NZ-OE2 2.96Å; K197-E243 VanDerWaalsContact NZ-OE2 3.1Å; K197-E243 PolarHBondContact O-N 3.47Å
198	L	97.4	Very high	87.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.9	177.2	-56.9	109.7	0	0	0	109.9	V175 V177 V196 K209 Q210 F227 F229 L240 S241 V242	V175-L198 HydrophobicContact CB-CD2 4.12Å; V175-L198 HydrophobicContact CG1-CD2 3.54Å; V177-L198 HydrophobicContact CG2-CD1 4.16Å; V177-L198 HydrophobicContact CG2-CD2 4.18Å; V196-L198 HydrophobicContact CG1-CD1 4.39Å; V196-L198 HydrophobicContact CG1-CG 4.38Å; L198-K209 WeakPolarHBondContact O-CA 3.29Å; L198-Q210 PolarHBondContact N-O 3.14Å; L198-Q210 PolarHBondContact O-N 3.01Å; L198-F227 HydrophobicContact CD1-CD1 4.39Å; L198-F227 HydrophobicContact CD1-CD2 3.52Å; L198-F227 HydrophobicContact CD1-CE1 4.45Å; L198-F227 HydrophobicContact CD1-CE2 3.62Å; L198-F227 HydrophobicContact CD1-CG 3.94Å; L198-F227 HydrophobicContact CD1-CZ 4.1Å; L198-F229 HydrophobicContact CB-CE2 4.34Å; L198-F229 HydrophobicContact CB-CZ 3.72Å; L198-L240 HydrophobicContact CD2-CD1 4.39Å; L198-S241 WeakPolarHBondContact CA-O 3.1Å; L198-V242 HydrophobicContact CD2-CG2 4.2Å
199	K	95.6	Very high	88.7	Confident	46 Å²	46	50.2 Å²	50.2	20%	0.2	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.1	176.4	61.9	-177	-176.2	-174	0	110.3	I201 S241 E243	K199-I201 HydrophobicContact CD-CG2 3.91Å; K199-I201 VanDerWaalsContact CE-CG2 3.44Å; K199-I201 HydrophobicContact CG-CG2 3.91Å; K199-S241 WeakPolarHBondContact CE-OG 3.25Å; K199-S241 PolarHBondContact N-O 2.76Å; K199-S241 VanDerWaalsContact N-O 3.11Å; K199-S241 PolarHBondContact O-N 3.29Å; K199-E243 WeakPolarHBondContact CE-OE1 3.34Å; K199-E243 IonicContact NZ-OE1 2.86Å; K199-E243 PolarHBondContact NZ-OE1 3.34Å
200	L	95.2	Very high	89.9	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117	170.6	-67.7	176.2	0	0	0	108.8	L173 P202 D203 S208 F229 L231 R238 R239 L240 V263	L173-L200 HydrophobicContact CD2-CD2 4.13Å; L200-P202 CarbonylContact O-C 3.55Å; L200-D203 VanDerWaalsContact O-CB 3.29Å; L200-D203 WeakPolarHBondContact O-CB 3.46Å; L200-S208 PolarHBondContact N-OG 2.87Å; L200-F229 HydrophobicContact CD1-CB 4.34Å; L200-F229 HydrophobicContact CD1-CD1 4.2Å; L200-F229 HydrophobicContact CG-CD1 4.05Å; L200-L231 HydrophobicContact CD1-CD2 4.19Å; L200-R238 VanDerWaalsContact CB-CZ 3.41Å; L200-R238 PolarHBondContact O-NH2 2.91Å; L200-R239 CarbonylContact C-O 3.55Å; L200-R239 VanDerWaalsContact CA-O 3.3Å; L200-R239 WeakPolarHBondContact CA-O 3.12Å; L200-L240 HydrophobicContact CD2-CB 4.4Å; L200-L240 HydrophobicContact CD2-CD1 4.42Å; L200-V263 HydrophobicContact CD2-CG2 3.91Å
201	I	91	Very high	91.2	Very high	15 Å²	15	54 Å²	54	8%	0.077	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.9	179.9	56.9	172.5	0	0	0	112.4	K199 R238 R239 E284	K199-I201 HydrophobicContact CD-CG2 3.91Å; K199-I201 VanDerWaalsContact CE-CG2 3.44Å; K199-I201 HydrophobicContact CG-CG2 3.91Å; I201-R238 CarbonylContact O-C 3.56Å; I201-R238 VanDerWaalsContact O-CA 3.26Å; I201-R238 WeakPolarHBondContact O-CA 3.42Å; I201-R238 VanDerWaalsContact O-CB 3.23Å; I201-R238 WeakPolarHBondContact O-CB 3.48Å; I201-R239 HydrophobicContact CD1-CB 4.27Å; I201-R239 HydrophobicContact CG1-CB 3.78Å; I201-R239 WeakPolarHBondContact CG1-O 3.38Å; I201-R239 PolarHBondContact N-O 3.46Å; I201-R239 PolarHBondContact O-N 3.24Å; I201-E284 HydrophobicContact CD1-CG 3.63Å
202	P	87.7	Confident	91.8	Very high	98 Å²	98	51.2 Å²	51.2	64%	0.636	26%	0.259	S	S	*	.	S	Bend	cis	-66.9	145.4	-6.4	27.4	-34.6	0	0	0	112.5	L200 R238	L200-P202 CarbonylContact O-C 3.55Å; P202-R238 PolarHBondContact O-NE 2.9Å; P202-R238 VanDerWaalsContact O-NE 3.09Å; P202-R238 PolarHBondContact O-NH2 2.87Å
203	D	86.5	Confident	92.1	Very high	32 Å²	32	58.6 Å²	58.6	17%	0.171	29%	0.291	C	S	.	.			trans	-127.9	74	178.1	-162.2	-3.3	0	0	0	111.4	L200 K205 N206 E207 S208 R238	L200-D203 VanDerWaalsContact O-CB 3.29Å; L200-D203 WeakPolarHBondContact O-CB 3.46Å; D203-K205 PolarHBondContact O-N 2.95Å; D203-K205 VanDerWaalsContact O-N 3.1Å; D203-N206 VanDerWaalsContact CG-CA 3.47Å; D203-N206 PolarHBondContact O-N 3.31Å; D203-N206 VanDerWaalsContact O-N 3.08Å; D203-N206 PolarHBondContact OD1-N 3.01Å; D203-N206 VanDerWaalsContact OD1-N 3.15Å; D203-N206 WeakPolarHBondContact OD2-CA 3.48Å; D203-E207 PolarHBondContact OD1-N 3.48Å; D203-E207 PolarHBondContact OD2-N 2.92Å; D203-S208 WeakPolarHBondContact OD2-CB 3.48Å; D203-S208 PolarHBondContact OD2-N 3.23Å; D203-S208 PolarHBondContact OD2-OG 3.37Å; D203-R238 IonicContact OD1-NH2 2.92Å
204	P	79.6	Confident	92.2	Very high	126 Å²	126	59.9 Å²	59.9	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.6	-171.6	24.7	-34.1	0	0	0	113.7
205	K	80.6	Confident	92.1	Very high	155 Å²	155	62.2 Å²	62.2	67%	0.674	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-2.7	179.4	-60.3	-174.1	-178.5	-178.7	0	113.4	D203 E207	D203-K205 PolarHBondContact O-N 2.95Å; D203-K205 VanDerWaalsContact O-N 3.1Å; K205-E207 HydrophobicContact CB-CG 3.71Å; K205-E207 WeakPolarHBondContact CB-OE1 3.31Å; K205-E207 WeakPolarHBondContact CD-OE1 3.19Å; K205-E207 PolarHBondContact O-N 2.73Å
206	N	80.2	Confident	91.8	Very high	96 Å²	96	69.9 Å²	69.9	51%	0.513	34%	0.34	S	S	.	.			trans	55.1	31.4	-178.5	-159.7	25.9	0	0	0	113.5	D203	D203-N206 VanDerWaalsContact CG-CA 3.47Å; D203-N206 PolarHBondContact O-N 3.31Å; D203-N206 VanDerWaalsContact O-N 3.08Å; D203-N206 PolarHBondContact OD1-N 3.01Å; D203-N206 VanDerWaalsContact OD1-N 3.15Å; D203-N206 WeakPolarHBondContact OD2-CA 3.48Å
207	E	87.1	Confident	91.3	Very high	144 Å²	144	72.7 Å²	72.7	67%	0.673	36%	0.36	S	S	*	.			trans	-83.8	-20.7	-173.4	-72.6	173.9	-172.6	0	0	112.3	D203 K205	D203-E207 PolarHBondContact OD1-N 3.48Å; D203-E207 PolarHBondContact OD2-N 2.92Å; K205-E207 HydrophobicContact CB-CG 3.71Å; K205-E207 WeakPolarHBondContact CB-OE1 3.31Å; K205-E207 WeakPolarHBondContact CD-OE1 3.19Å; K205-E207 PolarHBondContact O-N 2.73Å
208	S	89.6	Confident	91	Very high	18 Å²	18	73 Å²	73	13%	0.126	36%	0.364	C	S	.	.	S	Bend	trans	-90.7	-4.1	-174.1	71.6	0	0	0	0	114	L200 D203 Q210 F229	L200-S208 PolarHBondContact N-OG 2.87Å; D203-S208 WeakPolarHBondContact OD2-CB 3.48Å; D203-S208 PolarHBondContact OD2-N 3.23Å; D203-S208 PolarHBondContact OD2-OG 3.37Å; S208-Q210 PolarHBondContact O-N 3.28Å; S208-F229 VanDerWaalsContact O-CE1 3.24Å; S208-F229 WeakPolarHBondContact O-CE1 3.37Å
209	K	94.1	Very high	90.6	Very high	99 Å²	99	73.5 Å²	73.5	43%	0.43	37%	0.366	S	S	.	.			trans	-64.3	122.9	-171	-177.2	179	171.5	-177.7	0	112.7	K197 L198	K197-K209 HydrophobicContact CD-CD 4.23Å; K197-K209 HydrophobicContact CD-CG 4.34Å; K197-K209 HydrophobicContact CG-CD 4.38Å; K197-K209 HydrophobicContact CG-CG 4.03Å; L198-K209 WeakPolarHBondContact O-CA 3.29Å
210	Q	96.6	Very high	90.5	Very high	59 Å²	59	74.4 Å²	74.4	28%	0.276	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.7	169.5	-59	-174.7	45.7	0	0	109.5	L198 S208 F227 T228 F229	L198-Q210 PolarHBondContact N-O 3.14Å; L198-Q210 PolarHBondContact O-N 3.01Å; S208-Q210 PolarHBondContact O-N 3.28Å; Q210-F227 HydrophobicContact CB-CD1 3.81Å; Q210-F227 HydrophobicContact CB-CE1 4.27Å; Q210-F227 VanDerWaalsContact OE1-CD1 3.31Å; Q210-T228 PolarHBondContact NE2-O 3.15Å; Q210-T228 VanDerWaalsContact NE2-O 3.09Å; Q210-F229 HydrophobicContact CB-CZ 4.29Å; Q210-F229 HydrophobicContact CG-CE1 4.19Å; Q210-F229 HydrophobicContact CG-CZ 4.17Å
211	K	96.3	Very high	90.5	Very high	124 Å²	124	74.2 Å²	74.2	54%	0.539	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.8	178.5	67.4	171.9	-174.5	170	0	112.6	Y195 V196 F227	Y195-K211 HydrophobicContact CD2-CB 4.29Å; Y195-K211 HydrophobicContact CD2-CD 4.35Å; Y195-K211 HydrophobicContact CE2-CD 4.4Å; V196-K211 CarbonylContact O-C 3.21Å; V196-K211 WeakPolarHBondContact O-CA 3.15Å; V196-K211 WeakPolarHBondContact O-CB 3.49Å; K211-F227 WeakPolarHBondContact O-CE1 3.47Å
212	T	97.9	Very high	90.8	Very high	5 Å²	5	79 Å²	79	3%	0.031	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-77.3	173.3	170.2	66	0	0	0	0	111.5	V177 V196 W223 E225 F227	V177-T212 HydrophobicContact CB-CG2 4.16Å; V177-T212 HydrophobicContact CG1-CG2 4.17Å; V177-T212 HydrophobicContact CG2-CG2 4.38Å; V196-T212 HydrophobicContact CB-CG2 3.89Å; V196-T212 HydrophobicContact CG2-CG2 4.44Å; V196-T212 PolarHBondContact N-OG1 3.46Å; V196-T212 PolarHBondContact O-N 3.28Å; T212-W223 HydrophobicContact CG2-CB 4.21Å; T212-W223 HydrophobicContact CG2-CG 4.1Å; T212-W223 VanDerWaalsContact OG1-CD1 3.24Å; T212-W223 PolarHBondContact OG1-NE1 3.46Å; T212-E225 WeakPolarHBondContact CB-OE1 3.49Å; T212-E225 HydrophobicContact CG2-CB 4.25Å; T212-F227 HydrophobicContact CG2-CE2 3.62Å; T212-F227 HydrophobicContact CG2-CZ 3.59Å
213	K	95.9	Very high	91.3	Very high	156 Å²	156	75.2 Å²	75.2	68%	0.678	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-66.5	149.3	164	-65	175.3	-174.9	172.4	0	110.8	W223 E225	K213-W223 PolarHBondContact O-NE1 2.79Å; K213-E225 WeakPolarHBondContact CB-OE1 3.28Å; K213-E225 WeakPolarHBondContact CG-OE1 3.27Å; K213-E225 PolarHBondContact N-OE1 3.41Å
214	T	95.6	Very high	91.7	Very high	45 Å²	45	78.5 Å²	78.5	28%	0.276	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-75.5	128.7	168.2	-58.2	0	0	0	0	109.8	D193 W247	D193-T214 HydrophobicContact CB-CG2 3.95Å; D193-T214 WeakPolarHBondContact O-CG2 3.1Å; T214-W247 HydrophobicContact CG2-CB 3.42Å; T214-W247 VanDerWaalsContact CG2-CB 3.42Å; T214-W247 HydrophobicContact CG2-CD2 4.23Å; T214-W247 HydrophobicContact CG2-CE3 4.26Å; T214-W247 HydrophobicContact CG2-CG 3.91Å
215	I	94.3	Very high	92.6	Very high	48 Å²	48	74.5 Å²	74.5	25%	0.246	36%	0.356	C	S	.	.			trans	-105.1	124.7	171.9	-56	-174	0	0	0	107.6	D193 P194 T218 P221 Q222 W223	D193-I215 CarbonylContact C-O 3.58Å; D193-I215 VanDerWaalsContact CA-O 3.26Å; D193-I215 WeakPolarHBondContact CA-O 3.46Å; P194-I215 WeakPolarHBondContact CD-O 3.43Å; P194-I215 PolarHBondContact O-N 3.49Å; P194-I215 VanDerWaalsContact O-N 3.08Å; I215-T218 HydrophobicContact CB-CG2 4.14Å; I215-T218 HydrophobicContact CG2-CG2 3.56Å; I215-P221 HydrophobicContact CB-CB 4.17Å; I215-P221 HydrophobicContact CD1-CB 3.82Å; I215-P221 HydrophobicContact CG1-CB 4.41Å; I215-Q222 WeakPolarHBondContact CD1-O 3.25Å; I215-W223 HydrophobicContact CD1-CD2 4.37Å; I215-W223 HydrophobicContact CD1-CG 4.04Å
216	R	92.1	Very high	93.4	Very high	173 Å²	173	71.2 Å²	71.2	65%	0.653	35%	0.352	S	S	*	.			trans	-82.4	144.8	-173.1	-66.6	-172.9	178.7	170	1.3	113.6	D193 T218	D193-R216 WeakPolarHBondContact OD1-CA 3.32Å; D193-R216 WeakPolarHBondContact OD1-CB 3.42Å; R216-T218 PolarHBondContact O-N 2.78Å
217	S	87.4	Confident	94.2	Very high	60 Å²	60	67.5 Å²	67.5	42%	0.42	33%	0.331	S	S	.	.	S	Bend	trans	49.3	56.5	165.6	-50.9	0	0	0	0	112.3	L191 S192 D193	L191-S217 WeakPolarHBondContact CD1-O 3.35Å; S192-S217 CarbonylContact O-C 3.48Å; S192-S217 VanDerWaalsContact O-CA 3.25Å; S192-S217 WeakPolarHBondContact O-CA 3.3Å; S192-S217 PolarHBondContact O-N 3.26Å; D193-S217 PolarHBondContact OD1-N 3.17Å
218	T	90.6	Very high	94.7	Very high	30 Å²	30	63.6 Å²	63.6	18%	0.184	32%	0.317	C	S	.	.			trans	-148.7	142.7	177.2	-174	0	0	0	0	112.3	S192 P194 I215 R216 N220 P221	S192-T218 PolarHBondContact O-N 3.09Å; S192-T218 VanDerWaalsContact O-O 3.12Å; P194-T218 WeakPolarHBondContact CD-O 3.28Å; P194-T218 HydrophobicContact CG-CG2 4.19Å; I215-T218 HydrophobicContact CB-CG2 4.14Å; I215-T218 HydrophobicContact CG2-CG2 3.56Å; R216-T218 PolarHBondContact O-N 2.78Å; T218-N220 PolarHBondContact OG1-N 3.16Å; T218-P221 HydrophobicContact CG2-CB 3.86Å
219	L	89.4	Confident	94.9	Very high	9 Å²	9	63 Å²	63	5%	0.047	31%	0.313	C	S	.	.	S	Bend	trans	-98.1	-0.2	168.3	-56.5	-178.1	0	0	0	112.4	N182 L183 P185 L191 S192 P221	N182-L219 PolarHBondContact N-O 2.98Å; L183-L219 HydrophobicContact CB-CB 4.39Å; L183-L219 HydrophobicContact CB-CD2 4.48Å; L183-L219 WeakPolarHBondContact CB-O 3.46Å; L183-L219 PolarHBondContact N-O 3.37Å; L183-L219 WeakPolarHBondContact O-CD2 3.49Å; P185-L219 HydrophobicContact CB-CD1 4.41Å; P185-L219 HydrophobicContact CB-CD2 4.22Å; L191-L219 HydrophobicContact CD2-CD1 4.45Å; L191-L219 HydrophobicContact CD2-CG 4.05Å; S192-L219 WeakPolarHBondContact OG-CD2 3.33Å; L219-P221 VanDerWaalsContact C-CD 3.45Å
220	N	93.1	Very high	94.9	Very high	65 Å²	65	66.7 Å²	66.7	35%	0.348	33%	0.329	S	S	.	.	S	Bend	trans	-133.7	60.5	-178.4	-54.8	-81.1	0	0	0	110.8	A180 K181 N182 T218	A180-N220 CarbonylContact O-C 3.59Å; A180-N220 WeakPolarHBondContact O-CA 3.15Å; K181-N220 VanDerWaalsContact CA-OD1 3.32Å; K181-N220 WeakPolarHBondContact CA-OD1 3.43Å; N182-N220 PolarHBondContact N-OD1 2.86Å; T218-N220 PolarHBondContact OG1-N 3.16Å
221	P	95.9	Very high	94.7	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	32%	0.319	C	S	.	.			trans	-67.6	148.2	-176.9	29.7	-38.2	0	0	0	113.1	D179 A180 L183 P194 I215 T218 L219 W223	D179-P221 CarbonylContact C-O 3.5Å; D179-P221 VanDerWaalsContact CA-O 3.22Å; D179-P221 WeakPolarHBondContact CA-O 3.41Å; D179-P221 VanDerWaalsContact CB-O 3.27Å; D179-P221 WeakPolarHBondContact CB-O 3.39Å; A180-P221 HydrophobicContact CB-CG 3.94Å; A180-P221 PolarHBondContact N-O 3.47Å; L183-P221 HydrophobicContact CD1-CG 3.7Å; P194-P221 HydrophobicContact CB-CG 4.22Å; P194-P221 HydrophobicContact CG-CB 3.71Å; P194-P221 HydrophobicContact CG-CG 3.54Å; I215-P221 HydrophobicContact CB-CB 4.17Å; I215-P221 HydrophobicContact CD1-CB 3.82Å; I215-P221 HydrophobicContact CG1-CB 4.41Å; T218-P221 HydrophobicContact CG2-CB 3.86Å; L219-P221 VanDerWaalsContact C-CD 3.45Å; P221-W223 HydrophobicContact CB-CD2 4.27Å; P221-W223 HydrophobicContact CB-CE3 4.32Å; P221-W223 HydrophobicContact CB-CH2 3.73Å; P221-W223 HydrophobicContact CB-CZ2 3.6Å; P221-W223 HydrophobicContact CB-CZ3 4.07Å; P221-W223 HydrophobicContact CG-CE3 4.29Å; P221-W223 HydrophobicContact CG-CH2 3.09Å; P221-W223 HydrophobicContact CG-CZ2 3.44Å; P221-W223 VanDerWaalsContact CG-CZ2 3.44Å; P221-W223 HydrophobicContact CG-CZ3 3.56Å
222	Q	96.5	Very high	94.4	Very high	117 Å²	117	64.9 Å²	64.9	55%	0.547	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	103.9	171.7	-62	-170.8	-24.3	0	0	110	R178 D179 I215	R178-Q222 CarbonylContact O-C 3.59Å; D179-Q222 HydrophobicContact CB-CB 4.31Å; D179-Q222 HydrophobicContact CB-CG 3.85Å; I215-Q222 WeakPolarHBondContact CD1-O 3.25Å
223	W	97.3	Very high	93.7	Very high	17 Å²	17	69.7 Å²	69.7	6%	0.064	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-46.6	-178.9	-62.4	-82	0	0	0	112	V177 R178 A180 P194 V196 T212 K213 I215 P221 E225 I244	V177-W223 HydrophobicContact CG1-CB 4.44Å; V177-W223 HydrophobicContact CG1-CD2 4.22Å; V177-W223 HydrophobicContact CG1-CE3 3.72Å; V177-W223 HydrophobicContact CG1-CZ3 4.28Å; R178-W223 PolarHBondContact O-N 3.19Å; A180-W223 HydrophobicContact CB-CH2 3.94Å; A180-W223 HydrophobicContact CB-CZ3 3.71Å; P194-W223 HydrophobicContact CB-CH2 4.42Å; P194-W223 HydrophobicContact CB-CZ2 3.92Å; P194-W223 HydrophobicContact CG-CZ2 4.19Å; P194-W223 PolarHBondContact O-NE1 3.49Å; V196-W223 HydrophobicContact CG2-CD2 4.18Å; V196-W223 HydrophobicContact CG2-CE3 4.11Å; V196-W223 HydrophobicContact CG2-CH2 3.61Å; V196-W223 HydrophobicContact CG2-CZ2 3.73Å; V196-W223 HydrophobicContact CG2-CZ3 3.83Å; T212-W223 HydrophobicContact CG2-CB 4.21Å; T212-W223 HydrophobicContact CG2-CG 4.1Å; T212-W223 VanDerWaalsContact OG1-CD1 3.24Å; T212-W223 PolarHBondContact OG1-NE1 3.46Å; K213-W223 PolarHBondContact O-NE1 2.79Å; I215-W223 HydrophobicContact CD1-CD2 4.37Å; I215-W223 HydrophobicContact CD1-CG 4.04Å; P221-W223 HydrophobicContact CB-CD2 4.27Å; P221-W223 HydrophobicContact CB-CE3 4.32Å; P221-W223 HydrophobicContact CB-CH2 3.73Å; P221-W223 HydrophobicContact CB-CZ2 3.6Å; P221-W223 HydrophobicContact CB-CZ3 4.07Å; P221-W223 HydrophobicContact CG-CE3 4.29Å; P221-W223 HydrophobicContact CG-CH2 3.09Å; P221-W223 HydrophobicContact CG-CZ2 3.44Å; P221-W223 VanDerWaalsContact CG-CZ2 3.44Å; P221-W223 HydrophobicContact CG-CZ3 3.56Å; W223-E225 HydrophobicContact CB-CG 4.3Å; W223-E225 PolarHBondContact O-N 3.07Å; W223-I244 HydrophobicContact CH2-CD1 4.38Å
224	N	96.4	Very high	93.2	Very high	102 Å²	102	66.2 Å²	66.2	55%	0.545	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.7	43.8	-174	-58.2	-57.7	0	0	0	112.8	V177 R178	V177-N224 WeakPolarHBondContact O-CA 3.36Å; V177-N224 PolarHBondContact O-N 2.98Å; V177-N224 VanDerWaalsContact O-N 3.1Å; R178-N224 VanDerWaalsContact CG-OD1 3.24Å; R178-N224 WeakPolarHBondContact CG-OD1 3.01Å; R178-N224 PolarHBondContact O-N 3.37Å
225	E	97.7	Very high	92.9	Very high	42 Å²	42	64.5 Å²	64.5	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.7	-177.8	-68.4	-175.5	-125.6	0	0	111.1	T176 V177 T212 K213 W223 F227	T176-E225 WeakPolarHBondContact CA-O 3.25Å; V177-E225 PolarHBondContact N-O 3.3Å; V177-E225 PolarHBondContact O-N 3.12Å; T212-E225 WeakPolarHBondContact CB-OE1 3.49Å; T212-E225 HydrophobicContact CG2-CB 4.25Å; K213-E225 WeakPolarHBondContact CB-OE1 3.28Å; K213-E225 WeakPolarHBondContact CG-OE1 3.27Å; K213-E225 PolarHBondContact N-OE1 3.41Å; W223-E225 HydrophobicContact CB-CG 4.3Å; W223-E225 PolarHBondContact O-N 3.07Å; E225-F227 HydrophobicContact CB-CE2 3.82Å; E225-F227 HydrophobicContact CB-CZ 3.95Å
226	S	97.3	Very high	92.6	Very high	85 Å²	85	66.8 Å²	66.8	59%	0.594	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.2	178.1	-61	0	0	0	0	111.3	V175 T176	V175-S226 CarbonylContact O-C 3.52Å; V175-S226 WeakPolarHBondContact O-CA 3.34Å; T176-S226 PolarHBondContact OG1-OG 2.78Å
227	F	97.3	Very high	92.4	Very high	18 Å²	18	65.7 Å²	65.7	8%	0.079	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.6	-177.8	-58.9	-84.7	0	0	0	109.8	H174 V175 V177 L198 Q210 K211 T212 E225 F229	H174-F227 WeakPolarHBondContact CA-O 3.32Å; V175-F227 PolarHBondContact N-O 2.99Å; V175-F227 PolarHBondContact O-N 3.37Å; V177-F227 HydrophobicContact CG2-CD2 4.38Å; V177-F227 HydrophobicContact CG2-CE2 4.17Å; L198-F227 HydrophobicContact CD1-CD1 4.39Å; L198-F227 HydrophobicContact CD1-CD2 3.52Å; L198-F227 HydrophobicContact CD1-CE1 4.45Å; L198-F227 HydrophobicContact CD1-CE2 3.62Å; L198-F227 HydrophobicContact CD1-CG 3.94Å; L198-F227 HydrophobicContact CD1-CZ 4.1Å; Q210-F227 HydrophobicContact CB-CD1 3.81Å; Q210-F227 HydrophobicContact CB-CE1 4.27Å; Q210-F227 VanDerWaalsContact OE1-CD1 3.31Å; K211-F227 WeakPolarHBondContact O-CE1 3.47Å; T212-F227 HydrophobicContact CG2-CE2 3.62Å; T212-F227 HydrophobicContact CG2-CZ 3.59Å; E225-F227 HydrophobicContact CB-CE2 3.82Å; E225-F227 HydrophobicContact CB-CZ 3.95Å; F227-F229 HydrophobicContact CB-CE2 4.09Å
228	T	96.5	Very high	92.7	Very high	62 Å²	62	65 Å²	65	38%	0.38	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.5	177.9	-59	0	0	0	0	109.8	K172 L173 H174 Q210	K172-T228 HydrophobicContact CB-CG2 3.96Å; K172-T228 HydrophobicContact CD-CG2 4.06Å; K172-T228 HydrophobicContact CG-CG2 4.24Å; L173-T228 CarbonylContact O-C 3.52Å; L173-T228 WeakPolarHBondContact O-CA 3.41Å; H174-T228 PolarHBondContact ND1-OG1 3.02Å; H174-T228 VanDerWaalsContact ND1-OG1 3.14Å; Q210-T228 PolarHBondContact NE2-O 3.15Å; Q210-T228 VanDerWaalsContact NE2-O 3.09Å
229	F	95.4	Very high	92.9	Very high	7 Å²	7	65.8 Å²	65.8	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	174.6	-60.3	-101.4	0	0	0	108.8	K172 L173 V175 L198 L200 S208 Q210 F227 L231 L240	K172-F229 CarbonylContact C-O 3.58Å; K172-F229 VanDerWaalsContact CA-O 3.32Å; K172-F229 WeakPolarHBondContact CA-O 3.47Å; L173-F229 HydrophobicContact CB-CB 4.22Å; L173-F229 HydrophobicContact CD2-CD2 4.4Å; L173-F229 HydrophobicContact CG-CD2 4.45Å; L173-F229 PolarHBondContact N-O 3.41Å; L173-F229 PolarHBondContact O-N 2.8Å; V175-F229 HydrophobicContact CG2-CD2 4.29Å; V175-F229 HydrophobicContact CG2-CE2 4.14Å; L198-F229 HydrophobicContact CB-CE2 4.34Å; L198-F229 HydrophobicContact CB-CZ 3.72Å; L200-F229 HydrophobicContact CD1-CB 4.34Å; L200-F229 HydrophobicContact CD1-CD1 4.2Å; L200-F229 HydrophobicContact CG-CD1 4.05Å; S208-F229 VanDerWaalsContact O-CE1 3.24Å; S208-F229 WeakPolarHBondContact O-CE1 3.37Å; Q210-F229 HydrophobicContact CB-CZ 4.29Å; Q210-F229 HydrophobicContact CG-CE1 4.19Å; Q210-F229 HydrophobicContact CG-CZ 4.17Å; F227-F229 HydrophobicContact CB-CE2 4.09Å; F229-L231 PolarHBondContact O-N 2.82Å; F229-L240 HydrophobicContact CE2-CD1 4.14Å; F229-L240 HydrophobicContact CZ-CD1 4.28Å
230	K	93.1	Very high	93.3	Very high	176 Å²	176	65.4 Å²	65.4	77%	0.765	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.6	171	-66.8	-178.4	-178.4	178.6	0	108.2
231	L	92.5	Very high	93.5	Very high	14 Å²	14	62.5 Å²	62.5	7%	0.073	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-86.2	135.5	-178.2	-58.7	178.7	0	0	0	110.2	V168 E171 L173 L200 F229 D235 V263 M267	V168-L231 HydrophobicContact CG1-CD1 3.76Å; V168-L231 HydrophobicContact CG2-CD1 4.2Å; E171-L231 WeakPolarHBondContact O-CB 3.31Å; E171-L231 PolarHBondContact O-N 2.89Å; L173-L231 HydrophobicContact CB-CD1 4.07Å; L173-L231 HydrophobicContact CB-CD2 3.97Å; L173-L231 HydrophobicContact CB-CG 4.12Å; L200-L231 HydrophobicContact CD1-CD2 4.19Å; F229-L231 PolarHBondContact O-N 2.82Å; L231-D235 HydrophobicContact CD2-CB 4.33Å; L231-V263 HydrophobicContact CD1-CG1 4.03Å; L231-V263 HydrophobicContact CD2-CG1 4.19Å; L231-M267 HydrophobicContact CD1-CE 3.69Å
232	K	89.7	Confident	93.6	Very high	131 Å²	131	62.5 Å²	62.5	57%	0.57	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-93.1	158	165.4	-63.4	173.9	-175.9	172.9	0	108.9	S234 D235	K232-S234 PolarHBondContact O-N 2.83Å; K232-S234 VanDerWaalsContact O-N 3.08Å; K232-D235 WeakPolarHBondContact CB-OD2 3.48Å; K232-D235 PolarHBondContact N-OD2 2.79Å; K232-D235 WeakPolarHBondContact O-CB 3.4Å; K232-D235 PolarHBondContact O-N 2.77Å
233	P	84.3	Confident	93.6	Very high	105 Å²	105	57.4 Å²	57.4	68%	0.682	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-53.8	-32	174	-28	35.5	0	0	0	114	D235 K236	P233-D235 VanDerWaalsContact C-N 3.28Å; P233-D235 PolarHBondContact O-N 3.05Å; P233-K236 WeakPolarHBondContact O-CG 3.5Å
234	S	85.3	Confident	93.6	Very high	83 Å²	83	56.6 Å²	56.6	58%	0.58	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-72.7	-13.8	176.2	57.7	0	0	0	0	114.5	K232 K236	K232-S234 PolarHBondContact O-N 2.83Å; K232-S234 VanDerWaalsContact O-N 3.08Å; S234-K236 VanDerWaalsContact C-N 3.26Å; S234-K236 PolarHBondContact O-N 3.27Å
235	D	89.1	Confident	93.6	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.048	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-81.9	-5.3	-178.1	-63.9	-35.7	0	0	0	112.6	L231 K232 P233 D237 R238 V263	L231-D235 HydrophobicContact CD2-CB 4.33Å; K232-D235 WeakPolarHBondContact CB-OD2 3.48Å; K232-D235 PolarHBondContact N-OD2 2.79Å; K232-D235 WeakPolarHBondContact O-CB 3.4Å; K232-D235 PolarHBondContact O-N 2.77Å; P233-D235 VanDerWaalsContact C-N 3.28Å; P233-D235 PolarHBondContact O-N 3.05Å; D235-D237 PolarHBondContact O-N 3.24Å; D235-R238 WeakPolarHBondContact O-CB 3.21Å; D235-R238 PolarHBondContact O-N 2.92Å; D235-R238 WeakPolarHBondContact OD1-CD 3.33Å; D235-R238 IonicContact OD1-CZ 2.72Å; D235-R238 IonicContact OD1-NE 2.8Å; D235-R238 IonicContact OD1-NH1 2.95Å; D235-R238 PolarHBondContact OD1-NH1 2.87Å; D235-V263 WeakPolarHBondContact O-CB 3.24Å; D235-V263 WeakPolarHBondContact O-CG1 3.26Å
236	K	87.6	Confident	93.4	Very high	97 Å²	97	51.7 Å²	51.7	42%	0.422	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-58.3	-32.4	177.8	-70.6	-176.8	177.7	-176.3	0	113.2	P233 S234 S264 M267	P233-K236 WeakPolarHBondContact O-CG 3.5Å; S234-K236 VanDerWaalsContact C-N 3.26Å; S234-K236 PolarHBondContact O-N 3.27Å; K236-S264 VanDerWaalsContact O-CB 3.31Å; K236-S264 WeakPolarHBondContact O-CB 3.45Å; K236-S264 PolarHBondContact O-N 3.02Å; K236-S264 PolarHBondContact O-OG 3.33Å; K236-M267 HydrophobicContact CD-SD 4.41Å; K236-M267 HydrophobicContact CG-CE 3.89Å; K236-M267 HydrophobicContact CG-SD 3.94Å
237	D	87.8	Confident	93.1	Very high	150 Å²	150	51.1 Å²	51.1	80%	0.802	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-91.7	1.6	-179.9	-55.7	-42.9	0	0	0	112.9	D235	D235-D237 PolarHBondContact O-N 3.24Å
238	R	94	Very high	92.1	Very high	45 Å²	45	51.5 Å²	51.5	17%	0.17	26%	0.255	C	S	.	.			trans	-88.5	169.9	177.2	-64.8	176.3	81	-175.8	3.9	111.1	L200 I201 P202 D203 D235 V263	L200-R238 VanDerWaalsContact CB-CZ 3.41Å; L200-R238 PolarHBondContact O-NH2 2.91Å; I201-R238 CarbonylContact O-C 3.56Å; I201-R238 VanDerWaalsContact O-CA 3.26Å; I201-R238 WeakPolarHBondContact O-CA 3.42Å; I201-R238 VanDerWaalsContact O-CB 3.23Å; I201-R238 WeakPolarHBondContact O-CB 3.48Å; P202-R238 PolarHBondContact O-NE 2.9Å; P202-R238 VanDerWaalsContact O-NE 3.09Å; P202-R238 PolarHBondContact O-NH2 2.87Å; D203-R238 IonicContact OD1-NH2 2.92Å; D235-R238 WeakPolarHBondContact O-CB 3.21Å; D235-R238 PolarHBondContact O-N 2.92Å; D235-R238 WeakPolarHBondContact OD1-CD 3.33Å; D235-R238 IonicContact OD1-CZ 2.72Å; D235-R238 IonicContact OD1-NE 2.8Å; D235-R238 IonicContact OD1-NH1 2.95Å; D235-R238 PolarHBondContact OD1-NH1 2.87Å; R238-V263 HydrophobicContact CB-CG2 4.4Å; R238-V263 WeakPolarHBondContact O-CB 3.47Å; R238-V263 VanDerWaalsContact O-CG2 3.31Å; R238-V263 WeakPolarHBondContact O-CG2 3.46Å; R238-V263 PolarHBondContact O-N 2.98Å
239	R	95.6	Very high	90.5	Very high	47 Å²	47	58.7 Å²	58.7	18%	0.177	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.1	174.4	-48.3	-177.6	60.8	69.8	9.3	110.8	L200 I201 S241 S260 F261 E265 E284 Y285	L200-R239 CarbonylContact C-O 3.55Å; L200-R239 VanDerWaalsContact CA-O 3.3Å; L200-R239 WeakPolarHBondContact CA-O 3.12Å; I201-R239 HydrophobicContact CD1-CB 4.27Å; I201-R239 HydrophobicContact CG1-CB 3.78Å; I201-R239 WeakPolarHBondContact CG1-O 3.38Å; I201-R239 PolarHBondContact N-O 3.46Å; I201-R239 PolarHBondContact O-N 3.24Å; R239-S241 PolarHBondContact O-N 3.02Å; R239-S260 PolarHBondContact NE-OG 3.34Å; R239-S260 PolarHBondContact NH2-O 3.16Å; R239-S260 VanDerWaalsContact NH2-O 3.09Å; R239-S260 PolarHBondContact NH2-OG 2.82Å; R239-F261 CarbonylContact C-O 3.53Å; R239-F261 WeakPolarHBondContact CA-O 3.49Å; R239-F261 WeakPolarHBondContact CB-O 3.45Å; R239-E265 IonicContact NH1-OE1 2.79Å; R239-E284 PolarHBondContact NE-O 2.87Å; R239-Y285 PolarHBondContact NH2-O 3.17Å
240	L	96.9	Very high	88.2	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	110.4	164.7	174.3	69.5	0	0	0	108.1	A166 L173 V175 L198 L200 F229 V242 S260 F261 L266	A166-L240 HydrophobicContact CB-CD2 4.42Å; L173-L240 HydrophobicContact CD2-CB 4.21Å; L173-L240 HydrophobicContact CD2-CD1 4.18Å; L173-L240 HydrophobicContact CD2-CD2 4.2Å; L173-L240 HydrophobicContact CD2-CG 4.42Å; V175-L240 HydrophobicContact CB-CD2 4.49Å; V175-L240 HydrophobicContact CG1-CD2 4.1Å; V175-L240 HydrophobicContact CG2-CD1 4.26Å; V175-L240 HydrophobicContact CG2-CD2 3.55Å; L198-L240 HydrophobicContact CD2-CD1 4.39Å; L200-L240 HydrophobicContact CD2-CB 4.4Å; L200-L240 HydrophobicContact CD2-CD1 4.42Å; F229-L240 HydrophobicContact CE2-CD1 4.14Å; F229-L240 HydrophobicContact CZ-CD1 4.28Å; L240-V242 HydrophobicContact CD2-CG2 4.29Å; L240-V242 HydrophobicContact CG-CG2 4.15Å; L240-S260 CarbonylContact O-C 3.35Å; L240-S260 WeakPolarHBondContact O-CA 3.43Å; L240-S260 WeakPolarHBondContact O-CB 3.46Å; L240-F261 HydrophobicContact CB-CB 4.47Å; L240-F261 HydrophobicContact CD2-CD2 4.27Å; L240-F261 PolarHBondContact N-O 3.31Å; L240-F261 PolarHBondContact O-N 3.39Å; L240-L266 HydrophobicContact CD2-CD1 4.31Å
241	S	97	Very high	86.9	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.4	172	171.1	0	0	0	0	110	L198 K199 R239	L198-S241 WeakPolarHBondContact CA-O 3.1Å; K199-S241 WeakPolarHBondContact CE-OG 3.25Å; K199-S241 PolarHBondContact N-O 2.76Å; K199-S241 VanDerWaalsContact N-O 3.11Å; K199-S241 PolarHBondContact O-N 3.29Å; R239-S241 PolarHBondContact O-N 3.02Å
242	V	97.9	Very high	86.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.8	176.5	-172.8	0	0	0	0	107.8	I162 L164 V196 L198 L240 S258 L259	I162-V242 HydrophobicContact CD1-CG1 4.37Å; L164-V242 HydrophobicContact CD1-CB 4.43Å; L164-V242 HydrophobicContact CD1-CG1 4.12Å; L164-V242 HydrophobicContact CD1-CG2 4.21Å; L164-V242 HydrophobicContact CD2-CG1 4.33Å; V196-V242 HydrophobicContact CG1-CG1 3.59Å; L198-V242 HydrophobicContact CD2-CG2 4.2Å; L240-V242 HydrophobicContact CD2-CG2 4.29Å; L240-V242 HydrophobicContact CG-CG2 4.15Å; V242-S258 CarbonylContact O-C 3.47Å; V242-S258 WeakPolarHBondContact O-CA 3.14Å; V242-S258 WeakPolarHBondContact O-CB 3.27Å; V242-L259 HydrophobicContact CB-CD1 4.23Å; V242-L259 HydrophobicContact CB-CG 4.37Å; V242-L259 HydrophobicContact CG2-CD1 4.33Å; V242-L259 PolarHBondContact N-O 3.34Å; V242-L259 PolarHBondContact O-N 3.32Å
243	E	97.6	Very high	85.8	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.7	-178.9	-56.3	169.7	178.1	0	0	109.8	V196 K197 K199 W245 F255	V196-E243 CarbonylContact C-O 3.59Å; V196-E243 WeakPolarHBondContact CA-O 3.49Å; K197-E243 HydrophobicContact CB-CB 4.48Å; K197-E243 PolarHBondContact N-O 3.33Å; K197-E243 IonicContact NZ-OE2 3.19Å; K197-E243 PolarHBondContact NZ-OE2 2.96Å; K197-E243 VanDerWaalsContact NZ-OE2 3.1Å; K197-E243 PolarHBondContact O-N 3.47Å; K199-E243 WeakPolarHBondContact CE-OE1 3.34Å; K199-E243 IonicContact NZ-OE1 2.86Å; K199-E243 PolarHBondContact NZ-OE1 3.34Å; E243-W245 WeakPolarHBondContact OE2-CZ2 3.39Å; E243-W245 PolarHBondContact OE2-NE1 3.31Å; E243-F255 HydrophobicContact CB-CE2 4.28Å; E243-F255 HydrophobicContact CG-CE2 4.39Å
244	I	97.6	Very high	86	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.9	169.2	-48.2	-170.5	0	0	0	108.7	I162 A180 L183 P194 Y195 V196 W223 M256 G257 L277	I162-I244 HydrophobicContact CB-CD1 4.32Å; I162-I244 HydrophobicContact CD1-CD1 3.83Å; I162-I244 HydrophobicContact CD1-CG1 4.23Å; I162-I244 HydrophobicContact CG1-CD1 4.47Å; A180-I244 HydrophobicContact CB-CD1 4.19Å; L183-I244 HydrophobicContact CD1-CG2 4.3Å; L183-I244 HydrophobicContact CD2-CD1 3.98Å; P194-I244 HydrophobicContact CB-CG2 4.05Å; Y195-I244 WeakPolarHBondContact O-CA 3.36Å; V196-I244 HydrophobicContact CG2-CG1 4.15Å; W223-I244 HydrophobicContact CH2-CD1 4.38Å; I244-M256 HydrophobicContact CB-CB 4.2Å; I244-M256 HydrophobicContact CG2-CB 4.2Å; I244-M256 HydrophobicContact CG2-CG 4.45Å; I244-M256 HydrophobicContact CG2-SD 3.7Å; I244-M256 WeakPolarHBondContact O-CB 3.28Å; I244-M256 PolarHBondContact O-N 3.23Å; I244-G257 PolarHBondContact N-O 3.31Å; I244-G257 PolarHBondContact O-N 3.11Å; I244-L277 HydrophobicContact CD1-CD1 3.52Å; I244-L277 HydrophobicContact CD1-CD2 3.69Å; I244-L277 HydrophobicContact CD1-CG 4.24Å; I244-L277 HydrophobicContact CG1-CD1 4.45Å; I244-L277 HydrophobicContact CG1-CD2 3.91Å
245	W	95.9	Very high	86.3	Confident	42 Å²	42	62.5 Å²	62.5	16%	0.159	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.2	-179.1	-68.3	77.9	0	0	0	109.8	P194 Y195 E243 N253 D254 F255 M256	P194-W245 CarbonylContact C-O 3.54Å; P194-W245 VanDerWaalsContact CA-O 3.31Å; P194-W245 WeakPolarHBondContact CA-O 3.49Å; Y195-W245 HydrophobicContact CD1-CB 3.98Å; Y195-W245 VanDerWaalsContact CD1-O 3.27Å; Y195-W245 WeakPolarHBondContact CD1-O 3.45Å; Y195-W245 HydrophobicContact CE1-CB 3.3Å; Y195-W245 HydrophobicContact CE1-CG 4.34Å; Y195-W245 HydrophobicContact CE2-CB 4.07Å; Y195-W245 HydrophobicContact CE2-CG 4.46Å; Y195-W245 AromaticContact CZ-CG 3.91Å; Y195-W245 PolarHBondContact N-O 3.41Å; Y195-W245 PolarHBondContact O-N 3.21Å; Y195-W245 VanDerWaalsContact OH-CB 3.32Å; Y195-W245 WeakPolarHBondContact OH-CB 3.25Å; E243-W245 WeakPolarHBondContact OE2-CZ2 3.39Å; E243-W245 PolarHBondContact OE2-NE1 3.31Å; W245-N253 HydrophobicContact CE3-CB 4.19Å; W245-N253 VanDerWaalsContact CZ3-O 3.23Å; W245-N253 WeakPolarHBondContact CZ3-O 3.15Å; W245-D254 CarbonylContact C-O 3.58Å; W245-D254 WeakPolarHBondContact CA-O 3.24Å; W245-F255 HydrophobicContact CD2-CB 4.47Å; W245-F255 HydrophobicContact CD2-CD2 4.46Å; W245-F255 AromaticContact CE2-CD2 3.91Å; W245-F255 HydrophobicContact CE3-CB 4.11Å; W245-F255 HydrophobicContact CH2-CB 3.99Å; W245-F255 HydrophobicContact CH2-CD2 4.31Å; W245-F255 HydrophobicContact CZ2-CB 4.34Å; W245-F255 AromaticContact CZ2-CD2 3.85Å; W245-F255 HydrophobicContact CZ2-CD2 3.85Å; W245-F255 HydrophobicContact CZ3-CB 3.86Å; W245-M256 VanDerWaalsContact C-SD 3.59Å
246	D	93.3	Very high	86.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.6	169.1	-166	38.5	0	0	0	109.3	M186 S192 D193 N253 D254 M256	M186-D246 HydrophobicContact CB-CB 3.82Å; M186-D246 WeakPolarHBondContact CB-OD2 3.25Å; M186-D246 HydrophobicContact CG-CB 3.96Å; S192-D246 WeakPolarHBondContact CB-OD1 3.32Å; D193-D246 WeakPolarHBondContact CA-OD1 3.39Å; D193-D246 PolarHBondContact N-OD1 2.55Å; D246-N253 CarbonylContact O-C 3.59Å; D246-N253 WeakPolarHBondContact O-CA 2.87Å; D246-N253 WeakPolarHBondContact O-CB 3.48Å; D246-D254 HydrophobicContact CB-CB 4.22Å; D246-D254 PolarHBondContact N-O 2.78Å; D246-D254 PolarHBondContact O-N 3.17Å; D246-M256 HydrophobicContact CB-CG 4.18Å; D246-M256 HydrophobicContact CB-SD 4.06Å
247	W	90.4	Very high	86.7	Confident	73 Å²	73	57.5 Å²	57.5	28%	0.277	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-89.9	120	178.9	177.3	76.8	0	0	0	110.3	D193 Y195 T214 R249	D193-W247 HydrophobicContact CB-CB 4.27Å; D193-W247 WeakPolarHBondContact CB-O 3.46Å; D193-W247 WeakPolarHBondContact O-CB 3.26Å; D193-W247 PolarHBondContact O-N 2.89Å; Y195-W247 HydrophobicContact CD1-CB 3.85Å; Y195-W247 HydrophobicContact CE1-CB 4.09Å; T214-W247 HydrophobicContact CG2-CB 3.42Å; T214-W247 VanDerWaalsContact CG2-CB 3.42Å; T214-W247 HydrophobicContact CG2-CD2 4.23Å; T214-W247 HydrophobicContact CG2-CE3 4.26Å; T214-W247 HydrophobicContact CG2-CG 3.91Å; W247-R249 HydrophobicContact CH2-CB 3.66Å; W247-R249 HydrophobicContact CH2-CG 3.92Å; W247-R249 HydrophobicContact CZ2-CB 4.37Å; W247-R249 HydrophobicContact CZ3-CB 3.96Å
248	D	77.3	Confident	87.1	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.134	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-103.4	138.7	175.4	-70.4	-74.3	0	0	0	111.8	T251 N253 D254	D248-T251 WeakPolarHBondContact CB-OG1 3.44Å; D248-T251 PolarHBondContact OD1-OG1 2.77Å; D248-N253 PolarHBondContact N-OD1 3.48Å; D248-N253 VanDerWaalsContact N-OD1 3.13Å; D248-N253 WeakPolarHBondContact OD2-CA 3.34Å; D248-D254 PolarHBondContact OD2-N 3.35Å
249	R	63.5	Low	87.2	Confident	213 Å²	213	48.3 Å²	48.3	80%	0.804	22%	0.22	S	C	*	.	S	Bend	trans	-72.4	-31	175.3	-171.8	173.8	178.2	179.9	-1.8	112.5	W247	W247-R249 HydrophobicContact CH2-CB 3.66Å; W247-R249 HydrophobicContact CH2-CG 3.92Å; W247-R249 HydrophobicContact CZ2-CB 4.37Å; W247-R249 HydrophobicContact CZ3-CB 3.96Å
250	T	46.9	Very low	87.2	Confident	126 Å²	126	46.1 Å²	46.1	77%	0.773	21%	0.211	S	C	*	.	S	Bend	trans	-129.2	-11.2	-166.1	47.5	0	0	0	0	114.5
251	T	65.6	Low	87.1	Confident	87 Å²	87	46.3 Å²	46.3	53%	0.534	21%	0.212	S	C	.	.	S	Bend	trans	-121	178.8	180	43.6	0	0	0	0	110.6	D248	D248-T251 WeakPolarHBondContact CB-OG1 3.44Å; D248-T251 PolarHBondContact OD1-OG1 2.77Å
252	R	74.3	Confident	87	Confident	227 Å²	227	46.2 Å²	46.2	86%	0.857	21%	0.212	S	C	*	.			trans	-74.6	129.4	169.7	-71.9	-176.8	179.3	176.8	0.8	107.6	D254	R252-D254 PolarHBondContact O-N 2.83Å
253	N	85.1	Confident	86.8	Confident	47 Å²	47	46.2 Å²	46.2	25%	0.251	21%	0.212	S	C	.	.			trans	-42.9	126.6	171.6	-63.4	-0.4	0	0	0	111.8	Y195 W245 D246 D248	Y195-N253 HydrophobicContact CE1-CB 4.18Å; Y195-N253 WeakPolarHBondContact CE1-ND2 3.27Å; Y195-N253 PolarHBondContact OH-ND2 2.75Å; W245-N253 HydrophobicContact CE3-CB 4.19Å; W245-N253 VanDerWaalsContact CZ3-O 3.23Å; W245-N253 WeakPolarHBondContact CZ3-O 3.15Å; D246-N253 CarbonylContact O-C 3.59Å; D246-N253 WeakPolarHBondContact O-CA 2.87Å; D246-N253 WeakPolarHBondContact O-CB 3.48Å; D248-N253 PolarHBondContact N-OD1 3.48Å; D248-N253 VanDerWaalsContact N-OD1 3.13Å; D248-N253 WeakPolarHBondContact OD2-CA 3.34Å
254	D	86.8	Confident	86.4	Confident	73 Å²	73	48.1 Å²	48.1	39%	0.39	23%	0.226	S	C	.	.			trans	-84	146.5	-179.5	-74.8	-39.7	0	0	0	113	M186 W245 D246 D248 R252	M186-D254 HydrophobicContact CE-CB 3.41Å; M186-D254 VanDerWaalsContact CE-CB 3.41Å; W245-D254 CarbonylContact C-O 3.58Å; W245-D254 WeakPolarHBondContact CA-O 3.24Å; D246-D254 HydrophobicContact CB-CB 4.22Å; D246-D254 PolarHBondContact N-O 2.78Å; D246-D254 PolarHBondContact O-N 3.17Å; D248-D254 PolarHBondContact OD2-N 3.35Å; R252-D254 PolarHBondContact O-N 2.83Å
255	F	92.1	Very high	86.1	Confident	37 Å²	37	52.6 Å²	52.6	16%	0.162	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.9	179	173.7	-96.3	0	0	0	111.1	E243 W245 G257 S258 Q280	E243-F255 HydrophobicContact CB-CE2 4.28Å; E243-F255 HydrophobicContact CG-CE2 4.39Å; W245-F255 HydrophobicContact CD2-CB 4.47Å; W245-F255 HydrophobicContact CD2-CD2 4.46Å; W245-F255 AromaticContact CE2-CD2 3.91Å; W245-F255 HydrophobicContact CE3-CB 4.11Å; W245-F255 HydrophobicContact CH2-CB 3.99Å; W245-F255 HydrophobicContact CH2-CD2 4.31Å; W245-F255 HydrophobicContact CZ2-CB 4.34Å; W245-F255 AromaticContact CZ2-CD2 3.85Å; W245-F255 HydrophobicContact CZ2-CD2 3.85Å; W245-F255 HydrophobicContact CZ3-CB 3.86Å; F255-G257 VanDerWaalsContact CZ-CA 3.44Å; F255-S258 WeakPolarHBondContact CZ-OG 3.36Å; F255-Q280 HydrophobicContact CD1-CB 4.39Å; F255-Q280 HydrophobicContact CE1-CB 3.79Å; F255-Q280 HydrophobicContact CE2-CB 4.36Å; F255-Q280 HydrophobicContact CE2-CG 4.38Å; F255-Q280 HydrophobicContact CZ-CB 3.76Å; F255-Q280 HydrophobicContact CZ-CG 4.24Å
256	M	91.3	Very high	85.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-45.9	-177.8	-56.9	178.4	78.4	0	0	112.6	R159 L183 I184 M186 P194 I244 W245 D246	R159-M256 WeakPolarHBondContact CD-O 3.4Å; R159-M256 PolarHBondContact NH1-O 2.72Å; L183-M256 HydrophobicContact CB-CE 3.8Å; L183-M256 HydrophobicContact CD1-CE 3.94Å; L183-M256 HydrophobicContact CG-CE 4.39Å; I184-M256 HydrophobicContact CD1-CB 4.45Å; I184-M256 HydrophobicContact CG1-CB 4.28Å; I184-M256 HydrophobicContact CG1-CE 4.32Å; I184-M256 WeakPolarHBondContact O-CE 3.43Å; M186-M256 HydrophobicContact CG-CE 4.03Å; M186-M256 HydrophobicContact CG-CG 3.95Å; M186-M256 HydrophobicContact CG-SD 4.47Å; P194-M256 HydrophobicContact CB-CE 4.36Å; P194-M256 HydrophobicContact CB-SD 3.86Å; I244-M256 HydrophobicContact CB-CB 4.2Å; I244-M256 HydrophobicContact CG2-CB 4.2Å; I244-M256 HydrophobicContact CG2-CG 4.45Å; I244-M256 HydrophobicContact CG2-SD 3.7Å; I244-M256 WeakPolarHBondContact O-CB 3.28Å; I244-M256 PolarHBondContact O-N 3.23Å; W245-M256 VanDerWaalsContact C-SD 3.59Å; D246-M256 HydrophobicContact CB-CG 4.18Å; D246-M256 HydrophobicContact CB-SD 4.06Å
257	G	93.9	Very high	85.8	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	163.8	-179.7	0	0	0	0	0	112.8	I244 F255 L278	I244-G257 PolarHBondContact N-O 3.31Å; I244-G257 PolarHBondContact O-N 3.11Å; F255-G257 VanDerWaalsContact CZ-CA 3.44Å; G257-L278 WeakPolarHBondContact CA-O 3.31Å
258	S	96.4	Very high	85.8	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.2	-179.4	57.5	0	0	0	0	114	V242 F255 L278 N279 G283	V242-S258 CarbonylContact O-C 3.47Å; V242-S258 WeakPolarHBondContact O-CA 3.14Å; V242-S258 WeakPolarHBondContact O-CB 3.27Å; F255-S258 WeakPolarHBondContact CZ-OG 3.36Å; S258-L278 PolarHBondContact N-O 3.44Å; S258-L278 WeakPolarHBondContact O-CA 3.4Å; S258-L278 WeakPolarHBondContact O-CB 3.44Å; S258-L278 PolarHBondContact O-N 3.3Å; S258-N279 PolarHBondContact OG-O 3.27Å; S258-N279 VanDerWaalsContact OG-O 3.06Å; S258-G283 WeakPolarHBondContact O-CA 3.35Å; S258-G283 WeakPolarHBondContact OG-CA 3.26Å
259	L	96.5	Very high	86.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	167	167.1	62.5	92.1	0	0	0	109.6	I162 L164 V242 F261 Y275 L277 G283 Y286 N287	I162-L259 HydrophobicContact CG2-CD2 3.59Å; L164-L259 HydrophobicContact CD1-CD1 3.79Å; L164-L259 HydrophobicContact CD1-CD2 4.19Å; L164-L259 HydrophobicContact CD1-CG 4.43Å; V242-L259 HydrophobicContact CB-CD1 4.23Å; V242-L259 HydrophobicContact CB-CG 4.37Å; V242-L259 HydrophobicContact CG2-CD1 4.33Å; V242-L259 PolarHBondContact N-O 3.34Å; V242-L259 PolarHBondContact O-N 3.32Å; L259-F261 HydrophobicContact CD1-CD2 3.93Å; L259-F261 HydrophobicContact CD1-CE2 3.28Å; L259-F261 HydrophobicContact CD1-CZ 3.79Å; L259-Y275 HydrophobicContact CD2-CG 4.49Å; L259-L277 HydrophobicContact CD2-CD2 4.49Å; L259-G283 CarbonylContact C-O 3.42Å; L259-G283 VanDerWaalsContact CA-O 3.29Å; L259-G283 WeakPolarHBondContact CA-O 3.32Å; L259-Y286 WeakPolarHBondContact CA-O 3.34Å; L259-N287 HydrophobicContact CB-CB 4.33Å; L259-N287 HydrophobicContact CD1-CB 4.18Å
260	S	94.7	Very high	87.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.8	177.3	65.3	0	0	0	0	114	R239 L240 G283 E284 Y285 Y286 N287	R239-S260 PolarHBondContact NE-OG 3.34Å; R239-S260 PolarHBondContact NH2-O 3.16Å; R239-S260 VanDerWaalsContact NH2-O 3.09Å; R239-S260 PolarHBondContact NH2-OG 2.82Å; L240-S260 CarbonylContact O-C 3.35Å; L240-S260 WeakPolarHBondContact O-CA 3.43Å; L240-S260 WeakPolarHBondContact O-CB 3.46Å; S260-G283 VanDerWaalsContact CB-O 3.23Å; S260-G283 WeakPolarHBondContact CB-O 3.48Å; S260-G283 PolarHBondContact N-O 2.95Å; S260-G283 PolarHBondContact OG-O 3.36Å; S260-G283 VanDerWaalsContact OG-O 3.08Å; S260-E284 PolarHBondContact OG-O 3.34Å; S260-Y285 VanDerWaalsContact OG-C 3.3Å; S260-Y285 WeakPolarHBondContact OG-CA 3.38Å; S260-Y285 PolarHBondContact OG-N 2.76Å; S260-Y286 PolarHBondContact N-O 3.4Å; S260-Y286 PolarHBondContact OG-N 3.49Å; S260-N287 WeakPolarHBondContact O-CB 3.34Å; S260-N287 PolarHBondContact O-ND2 3.27Å
261	F	95.6	Very high	89.8	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.2	174.3	-62	-85	0	0	0	110.4	L164 R239 L240 L259 V263 L266 A271 Y275 N287	L164-F261 HydrophobicContact CD1-CE2 3.88Å; L164-F261 HydrophobicContact CD1-CZ 4.38Å; R239-F261 CarbonylContact C-O 3.53Å; R239-F261 WeakPolarHBondContact CA-O 3.49Å; R239-F261 WeakPolarHBondContact CB-O 3.45Å; L240-F261 HydrophobicContact CB-CB 4.47Å; L240-F261 HydrophobicContact CD2-CD2 4.27Å; L240-F261 PolarHBondContact N-O 3.31Å; L240-F261 PolarHBondContact O-N 3.39Å; L259-F261 HydrophobicContact CD1-CD2 3.93Å; L259-F261 HydrophobicContact CD1-CE2 3.28Å; L259-F261 HydrophobicContact CD1-CZ 3.79Å; F261-V263 PolarHBondContact O-N 3.04Å; F261-L266 HydrophobicContact CB-CD1 3.59Å; F261-L266 HydrophobicContact CB-CD2 4.13Å; F261-L266 HydrophobicContact CB-CG 3.82Å; F261-L266 HydrophobicContact CD1-CD2 4.13Å; F261-L266 HydrophobicContact CG-CD1 4.25Å; F261-L266 HydrophobicContact CG-CD2 4.2Å; F261-L266 HydrophobicContact CG-CG 4.43Å; F261-A271 HydrophobicContact CD1-CB 4.06Å; F261-A271 HydrophobicContact CE1-CB 3.66Å; F261-A271 HydrophobicContact CZ-CB 4.16Å; F261-Y275 HydrophobicContact CE1-CD1 4.27Å; F261-Y275 AromaticContact CE1-CE1 3.66Å; F261-Y275 HydrophobicContact CE1-CE1 3.66Å; F261-Y275 HydrophobicContact CE1-CE2 4.45Å; F261-Y275 AromaticContact CE1-CZ 3.78Å; F261-Y275 HydrophobicContact CZ-CD1 4.03Å; F261-Y275 HydrophobicContact CZ-CD2 4.19Å; F261-Y275 AromaticContact CZ-CE1 3.74Å; F261-Y275 HydrophobicContact CZ-CE1 3.74Å; F261-Y275 AromaticContact CZ-CE2 3.93Å; F261-Y275 HydrophobicContact CZ-CE2 3.93Å; F261-Y275 HydrophobicContact CZ-CG 4.26Å; F261-Y275 AromaticContact CZ-CZ 3.71Å; F261-N287 HydrophobicContact CD1-CB 4.32Å; F261-N287 HydrophobicContact CE1-CB 3.97Å; F261-N287 HydrophobicContact CZ-CB 4.24Å
262	G	93.9	Very high	91.1	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.7	168.5	0	0	0	0	0	110.3	S264 E265 L266	G262-S264 VanDerWaalsContact C-N 3.29Å; G262-S264 PolarHBondContact O-N 3.15Å; G262-E265 PolarHBondContact N-OE2 3.32Å; G262-E265 WeakPolarHBondContact O-CB 3.42Å; G262-E265 PolarHBondContact O-N 2.96Å; G262-E265 VanDerWaalsContact O-N 3.1Å; G262-L266 PolarHBondContact O-N 3.37Å
263	V	93.6	Very high	92	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-40.6	178	172.8	0	0	0	0	110.4	L200 L231 D235 R238 F261 E265 L266 M267	L200-V263 HydrophobicContact CD2-CG2 3.91Å; L231-V263 HydrophobicContact CD1-CG1 4.03Å; L231-V263 HydrophobicContact CD2-CG1 4.19Å; D235-V263 WeakPolarHBondContact O-CB 3.24Å; D235-V263 WeakPolarHBondContact O-CG1 3.26Å; R238-V263 HydrophobicContact CB-CG2 4.4Å; R238-V263 WeakPolarHBondContact O-CB 3.47Å; R238-V263 VanDerWaalsContact O-CG2 3.31Å; R238-V263 WeakPolarHBondContact O-CG2 3.46Å; R238-V263 PolarHBondContact O-N 2.98Å; F261-V263 PolarHBondContact O-N 3.04Å; V263-E265 VanDerWaalsContact C-N 3.26Å; V263-E265 PolarHBondContact O-N 3.27Å; V263-L266 PolarHBondContact O-N 3.43Å; V263-M267 HydrophobicContact CG1-CE 4.05Å; V263-M267 WeakPolarHBondContact O-CG 3.31Å; V263-M267 PolarHBondContact O-N 2.81Å
264	S	90.8	Very high	92.4	Very high	49 Å²	49	39.7 Å²	39.7	34%	0.343	21%	0.211	S	C	.	.	H	α-helix	trans	-63.6	-27.2	173.8	55.3	0	0	0	0	114.1	K236 G262 K268	K236-S264 VanDerWaalsContact O-CB 3.31Å; K236-S264 WeakPolarHBondContact O-CB 3.45Å; K236-S264 PolarHBondContact O-N 3.02Å; K236-S264 PolarHBondContact O-OG 3.33Å; G262-S264 VanDerWaalsContact C-N 3.29Å; G262-S264 PolarHBondContact O-N 3.15Å; S264-K268 WeakPolarHBondContact O-CG 3.38Å
265	E	90.7	Very high	92.7	Very high	94 Å²	94	37 Å²	37	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-72.2	-47.7	173.9	-61.5	161.5	-168.9	0	0	109.9	R239 G262 V263 M267 K268 M269	R239-E265 IonicContact NH1-OE1 2.79Å; G262-E265 PolarHBondContact N-OE2 3.32Å; G262-E265 WeakPolarHBondContact O-CB 3.42Å; G262-E265 PolarHBondContact O-N 2.96Å; G262-E265 VanDerWaalsContact O-N 3.1Å; V263-E265 VanDerWaalsContact C-N 3.26Å; V263-E265 PolarHBondContact O-N 3.27Å; E265-M267 VanDerWaalsContact C-N 3.27Å; E265-M267 PolarHBondContact O-N 2.97Å; E265-K268 WeakPolarHBondContact O-CB 3.35Å; E265-K268 PolarHBondContact O-N 3.19Å; E265-M269 PolarHBondContact O-N 3.31Å
266	L	92.1	Very high	92.5	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-28.1	178.4	-68.5	176.7	0	0	0	113.6	A166 V168 L173 L240 F261 G262 V263 K268 M269 A271	A166-L266 HydrophobicContact CB-CD1 4.06Å; A166-L266 HydrophobicContact CB-CD2 3.99Å; V168-L266 HydrophobicContact CG2-CB 4.01Å; L173-L266 HydrophobicContact CD1-CD1 3.8Å; L240-L266 HydrophobicContact CD2-CD1 4.31Å; F261-L266 HydrophobicContact CB-CD1 3.59Å; F261-L266 HydrophobicContact CB-CD2 4.13Å; F261-L266 HydrophobicContact CB-CG 3.82Å; F261-L266 HydrophobicContact CD1-CD2 4.13Å; F261-L266 HydrophobicContact CG-CD1 4.25Å; F261-L266 HydrophobicContact CG-CD2 4.2Å; F261-L266 HydrophobicContact CG-CG 4.43Å; G262-L266 PolarHBondContact O-N 3.37Å; V263-L266 PolarHBondContact O-N 3.43Å; L266-K268 VanDerWaalsContact C-N 3.25Å; L266-K268 PolarHBondContact O-N 2.79Å; L266-M269 WeakPolarHBondContact CA-O 3.38Å; L266-A271 HydrophobicContact CD2-CB 3.58Å
267	M	90.3	Very high	92.6	Very high	64 Å²	64	36 Å²	36	32%	0.315	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.4	171.4	-76.5	-179.1	172.2	0	0	112.8	V168 L231 K236 V263 E265	V168-M267 HydrophobicContact CB-CG 4.28Å; V168-M267 HydrophobicContact CG1-CG 4.06Å; V168-M267 HydrophobicContact CG2-CG 4.13Å; L231-M267 HydrophobicContact CD1-CE 3.69Å; K236-M267 HydrophobicContact CD-SD 4.41Å; K236-M267 HydrophobicContact CG-CE 3.89Å; K236-M267 HydrophobicContact CG-SD 3.94Å; V263-M267 HydrophobicContact CG1-CE 4.05Å; V263-M267 WeakPolarHBondContact O-CG 3.31Å; V263-M267 PolarHBondContact O-N 2.81Å; E265-M267 VanDerWaalsContact C-N 3.27Å; E265-M267 PolarHBondContact O-N 2.97Å
268	K	90.3	Very high	92.3	Very high	185 Å²	185	36.5 Å²	36.5	80%	0.804	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-40.6	-179.7	-66.7	174	-174.7	176.1	0	111.7	S264 E265 L266	S264-K268 WeakPolarHBondContact O-CG 3.38Å; E265-K268 WeakPolarHBondContact O-CB 3.35Å; E265-K268 PolarHBondContact O-N 3.19Å; L266-K268 VanDerWaalsContact C-N 3.25Å; L266-K268 PolarHBondContact O-N 2.79Å
269	M	89.4	Confident	91.8	Very high	139 Å²	139	38.8 Å²	38.8	69%	0.685	21%	0.205	S	C	*	.	S	Bend	trans	-144.6	124.6	-174.9	-170.9	171	66.3	0	0	110.2	E265 L266	E265-M269 PolarHBondContact O-N 3.31Å; L266-M269 WeakPolarHBondContact CA-O 3.38Å
270	P	91.3	Very high	91.3	Very high	81 Å²	81	43.9 Å²	43.9	53%	0.526	23%	0.229	S	C	.	.			trans	-66.4	146.6	175.4	29.1	-34.1	0	0	0	110.4	A166 E167	A166-P270 WeakPolarHBondContact O-CA 3.23Å; E167-P270 HydrophobicContact CB-CB 3.91Å
271	A	91.3	Very high	90.7	Very high	10 Å²	10	51.2 Å²	51.2	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.1	175.5	0	0	0	0	0	109	K165 A166 F261 L266 Y275	K165-A271 CarbonylContact C-O 3.47Å; K165-A271 VanDerWaalsContact CA-O 3.29Å; K165-A271 WeakPolarHBondContact CA-O 3.39Å; A166-A271 HydrophobicContact CB-CB 4.41Å; A166-A271 PolarHBondContact N-O 3.48Å; A166-A271 PolarHBondContact O-N 2.87Å; F261-A271 HydrophobicContact CD1-CB 4.06Å; F261-A271 HydrophobicContact CE1-CB 3.66Å; F261-A271 HydrophobicContact CZ-CB 4.16Å; L266-A271 HydrophobicContact CD2-CB 3.58Å; A271-Y275 WeakPolarHBondContact CB-OH 3.34Å
272	S	93.7	Very high	89.9	Confident	66 Å²	66	55.5 Å²	55.5	46%	0.462	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	123.3	175.4	-170	0	0	0	0	109.7	Y163 L164	Y163-S272 PolarHBondContact OH-OG 2.94Å; L164-S272 WeakPolarHBondContact O-CA 3.49Å
273	G	92.6	Very high	89.6	Confident	7 Å²	7	55.4 Å²	55.4	7%	0.072	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.4	-170.2	178.2	0	0	0	0	0	113.5	Y163 L164 Y275	Y163-G273 WeakPolarHBondContact CA-O 3.01Å; L164-G273 PolarHBondContact N-O 3.28Å; L164-G273 PolarHBondContact O-N 3.1Å; G273-Y275 VanDerWaalsContact O-CD2 3.26Å; G273-Y275 WeakPolarHBondContact O-CD2 3.48Å; G273-Y275 WeakPolarHBondContact O-CE2 3.47Å
274	W	92.9	Very high	89.3	Confident	11 Å²	11	59.4 Å²	59.4	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.7	173.1	-76.3	107.3	0	0	0	110.9	R161 Y163 D179 K181 I290 E295	R161-W274 HydrophobicContact CB-CE3 3.91Å; R161-W274 HydrophobicContact CB-CZ3 4.34Å; R161-W274 HydrophobicContact CG-CD2 4.39Å; R161-W274 HydrophobicContact CG-CE3 3.53Å; R161-W274 HydrophobicContact CG-CZ3 3.66Å; Y163-W274 AromaticContact CD2-CD1 3.93Å; Y163-W274 HydrophobicContact CD2-CD2 4.07Å; Y163-W274 AromaticContact CD2-CE2 3.9Å; Y163-W274 HydrophobicContact CD2-CG 4.06Å; Y163-W274 HydrophobicContact CD2-CZ2 4.45Å; Y163-W274 AromaticContact CD2-NE1 3.85Å; Y163-W274 VanDerWaalsContact N-CZ3 3.35Å; D179-W274 VanDerWaalsContact OD2-CH2 3.25Å; D179-W274 WeakPolarHBondContact OD2-CH2 3.38Å; K181-W274 HydrophobicContact CB-CH2 4.31Å; K181-W274 HydrophobicContact CB-CZ3 4.41Å; K181-W274 HydrophobicContact CD-CH2 3.56Å; K181-W274 HydrophobicContact CD-CZ2 3.7Å; K181-W274 HydrophobicContact CD-CZ3 4.33Å; K181-W274 HydrophobicContact CG-CH2 3.63Å; K181-W274 HydrophobicContact CG-CZ2 4.29Å; K181-W274 HydrophobicContact CG-CZ3 4.22Å; W274-I290 HydrophobicContact CB-CB 3.89Å; W274-I290 HydrophobicContact CB-CD1 4.22Å; W274-I290 HydrophobicContact CB-CG1 4.43Å; W274-I290 PolarHBondContact O-N 2.88Å; W274-E295 PolarHBondContact NE1-OE1 3.28Å
275	Y	92.7	Very high	88.8	Confident	16 Å²	16	63.1 Å²	63.1	6%	0.063	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.1	175.8	-63.8	-92.1	0	0	0	110.2	R161 I162 L164 L259 F261 A271 G273 N287 V288 P289	R161-Y275 CarbonylContact C-O 3.53Å; R161-Y275 VanDerWaalsContact CA-O 3.28Å; R161-Y275 WeakPolarHBondContact CA-O 3.42Å; I162-Y275 PolarHBondContact N-O 3.29Å; I162-Y275 PolarHBondContact O-N 3.01Å; L164-Y275 HydrophobicContact CB-CD2 4.25Å; L164-Y275 HydrophobicContact CB-CE2 4.36Å; L259-Y275 HydrophobicContact CD2-CG 4.49Å; F261-Y275 HydrophobicContact CE1-CD1 4.27Å; F261-Y275 AromaticContact CE1-CE1 3.66Å; F261-Y275 HydrophobicContact CE1-CE1 3.66Å; F261-Y275 HydrophobicContact CE1-CE2 4.45Å; F261-Y275 AromaticContact CE1-CZ 3.78Å; F261-Y275 HydrophobicContact CZ-CD1 4.03Å; F261-Y275 HydrophobicContact CZ-CD2 4.19Å; F261-Y275 AromaticContact CZ-CE1 3.74Å; F261-Y275 HydrophobicContact CZ-CE1 3.74Å; F261-Y275 AromaticContact CZ-CE2 3.93Å; F261-Y275 HydrophobicContact CZ-CE2 3.93Å; F261-Y275 HydrophobicContact CZ-CG 4.26Å; F261-Y275 AromaticContact CZ-CZ 3.71Å; A271-Y275 WeakPolarHBondContact CB-OH 3.34Å; G273-Y275 VanDerWaalsContact O-CD2 3.26Å; G273-Y275 WeakPolarHBondContact O-CD2 3.48Å; G273-Y275 WeakPolarHBondContact O-CE2 3.47Å; Y275-N287 HydrophobicContact CD1-CB 4.21Å; Y275-V288 WeakPolarHBondContact CA-O 3.48Å; Y275-P289 HydrophobicContact CD1-CB 4.14Å; Y275-P289 HydrophobicContact CE1-CB 3.85Å
276	K	89.7	Confident	88.3	Confident	14 Å²	14	65.6 Å²	65.6	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	139.7	173.5	-178.3	176.3	172	172.3	0	110.7	D154 T156 L278 V288 I290	D154-K276 IonicContact OD1-NZ 3.49Å; D154-K276 PolarHBondContact OD1-NZ 3.45Å; D154-K276 IonicContact OD2-NZ 2.71Å; D154-K276 PolarHBondContact OD2-NZ 3.22Å; T156-K276 WeakPolarHBondContact O-CE 3.33Å; T156-K276 PolarHBondContact O-NZ 2.87Å; K276-L278 HydrophobicContact CD-CD2 4.3Å; K276-L278 HydrophobicContact CG-CD2 4.25Å; K276-V288 HydrophobicContact CB-CB 4.25Å; K276-V288 PolarHBondContact N-O 2.69Å; K276-I290 HydrophobicContact CB-CD1 4.41Å
277	L	92.8	Very high	88.1	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-82.8	124.4	171.1	-70.1	162.8	0	0	0	110.5	R159 G160 I162 L183 I244 L259	R159-L277 HydrophobicContact CB-CB 3.79Å; R159-L277 VanDerWaalsContact O-CD1 3.27Å; R159-L277 WeakPolarHBondContact O-CD1 3.3Å; G160-L277 WeakPolarHBondContact O-CB 3.13Å; G160-L277 PolarHBondContact O-N 3.07Å; I162-L277 HydrophobicContact CB-CD2 4.34Å; I162-L277 HydrophobicContact CB-CG 4.49Å; I162-L277 HydrophobicContact CG2-CD2 3.84Å; I162-L277 HydrophobicContact CG2-CG 4.2Å; L183-L277 HydrophobicContact CD2-CD1 3.35Å; I244-L277 HydrophobicContact CD1-CD1 3.52Å; I244-L277 HydrophobicContact CD1-CD2 3.69Å; I244-L277 HydrophobicContact CD1-CG 4.24Å; I244-L277 HydrophobicContact CG1-CD1 4.45Å; I244-L277 HydrophobicContact CG1-CD2 3.91Å; L259-L277 HydrophobicContact CD2-CD2 4.49Å
278	L	87.9	Confident	87.8	Confident	11 Å²	11	67.3 Å²	67.3	6%	0.058	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-100.2	172	-179.3	-50.3	178.6	0	0	0	110.7	R159 G257 S258 K276 E282 V288	R159-L278 VanDerWaalsContact CD-O 3.31Å; R159-L278 WeakPolarHBondContact CD-O 3.44Å; G257-L278 WeakPolarHBondContact CA-O 3.31Å; S258-L278 PolarHBondContact N-O 3.44Å; S258-L278 WeakPolarHBondContact O-CA 3.4Å; S258-L278 WeakPolarHBondContact O-CB 3.44Å; S258-L278 PolarHBondContact O-N 3.3Å; K276-L278 HydrophobicContact CD-CD2 4.3Å; K276-L278 HydrophobicContact CG-CD2 4.25Å; L278-E282 HydrophobicContact CB-CB 3.96Å; L278-E282 HydrophobicContact CD1-CB 4.15Å; L278-V288 HydrophobicContact CD1-CG2 4.31Å; L278-V288 HydrophobicContact CD2-CG2 4.18Å
279	N	85.4	Confident	87.5	Confident	50 Å²	50	62.5 Å²	62.5	27%	0.267	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-68.4	173.5	169.3	77.8	50.8	0	0	0	111	S258 E281 E282 G283	S258-N279 PolarHBondContact OG-O 3.27Å; S258-N279 VanDerWaalsContact OG-O 3.06Å; N279-E281 PolarHBondContact O-N 3.28Å; N279-E281 PolarHBondContact OD1-N 3.22Å; N279-E282 WeakPolarHBondContact ND2-CG 3.38Å; N279-E282 PolarHBondContact ND2-OE2 3.12Å; N279-E282 PolarHBondContact OD1-N 3.1Å; N279-G283 WeakPolarHBondContact O-CA 3.45Å; N279-G283 PolarHBondContact O-N 3.24Å
280	Q	86.6	Confident	87.1	Confident	108 Å²	108	57.1 Å²	57.1	51%	0.505	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-41.8	-174	-169.7	173.3	10.3	0	0	113.2	F255 E284	F255-Q280 HydrophobicContact CD1-CB 4.39Å; F255-Q280 HydrophobicContact CE1-CB 3.79Å; F255-Q280 HydrophobicContact CE2-CB 4.36Å; F255-Q280 HydrophobicContact CE2-CG 4.38Å; F255-Q280 HydrophobicContact CZ-CB 3.76Å; F255-Q280 HydrophobicContact CZ-CG 4.24Å; Q280-E284 PolarHBondContact O-N 3.22Å
281	E	80.3	Confident	86.2	Confident	154 Å²	154	58.6 Å²	58.6	72%	0.72	30%	0.298	S	S	*	.	H	α-helix	trans	-70	-48.8	-178.9	-64.8	179.6	179.2	0	0	110.9	N279 E284 Y285	N279-E281 PolarHBondContact O-N 3.28Å; N279-E281 PolarHBondContact OD1-N 3.22Å; E281-E284 WeakPolarHBondContact O-CB 3.28Å; E281-E284 PolarHBondContact O-N 3.46Å; E281-Y285 VanDerWaalsContact O-CD2 3.27Å; E281-Y285 WeakPolarHBondContact O-CD2 3.24Å
282	E	79.7	Confident	84.6	Confident	95 Å²	95	65.7 Å²	65.7	44%	0.444	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-44.7	179.2	-68.6	172.9	149.2	0	0	111.7	L278 N279 E284 Y285 Y286	L278-E282 HydrophobicContact CB-CB 3.96Å; L278-E282 HydrophobicContact CD1-CB 4.15Å; N279-E282 WeakPolarHBondContact ND2-CG 3.38Å; N279-E282 PolarHBondContact ND2-OE2 3.12Å; N279-E282 PolarHBondContact OD1-N 3.1Å; E282-E284 PolarHBondContact O-N 3.33Å; E282-Y285 PolarHBondContact O-N 3.15Å; E282-Y286 VanDerWaalsContact O-CD2 3.29Å; E282-Y286 WeakPolarHBondContact O-CD2 3.46Å; E282-Y286 PolarHBondContact O-N 3.48Å
283	G	87.8	Confident	82.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.6	-18.7	-178	0	0	0	0	0	113.6	S258 L259 S260 N279 Y285	S258-G283 WeakPolarHBondContact O-CA 3.35Å; S258-G283 WeakPolarHBondContact OG-CA 3.26Å; L259-G283 CarbonylContact C-O 3.42Å; L259-G283 VanDerWaalsContact CA-O 3.29Å; L259-G283 WeakPolarHBondContact CA-O 3.32Å; S260-G283 VanDerWaalsContact CB-O 3.23Å; S260-G283 WeakPolarHBondContact CB-O 3.48Å; S260-G283 PolarHBondContact N-O 2.95Å; S260-G283 PolarHBondContact OG-O 3.36Å; S260-G283 VanDerWaalsContact OG-O 3.08Å; N279-G283 WeakPolarHBondContact O-CA 3.45Å; N279-G283 PolarHBondContact O-N 3.24Å; G283-Y285 PolarHBondContact O-N 3.04Å
284	E	86.8	Confident	80.6	Confident	84 Å²	84	67.2 Å²	67.2	39%	0.393	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-26.5	172.1	-169.6	168	-156.8	0	0	112.4	I201 R239 S260 Q280 E281 E282	I201-E284 HydrophobicContact CD1-CG 3.63Å; R239-E284 PolarHBondContact NE-O 2.87Å; S260-E284 PolarHBondContact OG-O 3.34Å; Q280-E284 PolarHBondContact O-N 3.22Å; E281-E284 WeakPolarHBondContact O-CB 3.28Å; E281-E284 PolarHBondContact O-N 3.46Å; E282-E284 PolarHBondContact O-N 3.33Å
285	Y	79.9	Confident	78.5	Confident	127 Å²	127	70.9 Å²	70.9	50%	0.498	36%	0.363	S	S	.	.	H	α-helix	trans	-119.1	-22.7	-174.2	-58.1	-80.7	0	0	0	114.5	R239 S260 E281 E282 G283	R239-Y285 PolarHBondContact NH2-O 3.17Å; S260-Y285 VanDerWaalsContact OG-C 3.3Å; S260-Y285 WeakPolarHBondContact OG-CA 3.38Å; S260-Y285 PolarHBondContact OG-N 2.76Å; E281-Y285 VanDerWaalsContact O-CD2 3.27Å; E281-Y285 WeakPolarHBondContact O-CD2 3.24Å; E282-Y285 PolarHBondContact O-N 3.15Å; G283-Y285 PolarHBondContact O-N 3.04Å
286	Y	81.8	Confident	76	Confident	147 Å²	147	79.5 Å²	79.5	58%	0.576	40%	0.404	S	S	*	.			trans	-126.9	156.1	-168.1	-53.9	-65.7	0	0	0	113.3	L259 S260 E282	L259-Y286 WeakPolarHBondContact CA-O 3.34Å; S260-Y286 PolarHBondContact N-O 3.4Å; S260-Y286 PolarHBondContact OG-N 3.49Å; E282-Y286 VanDerWaalsContact O-CD2 3.29Å; E282-Y286 WeakPolarHBondContact O-CD2 3.46Å; E282-Y286 PolarHBondContact O-N 3.48Å
287	N	87.4	Confident	73.6	Confident	44 Å²	44	81.9 Å²	81.9	24%	0.235	43%	0.432	C	S	.	.			trans	-134.7	141.7	165.2	62.4	90.6	0	0	0	108.2	L259 S260 F261 Y275	L259-N287 HydrophobicContact CB-CB 4.33Å; L259-N287 HydrophobicContact CD1-CB 4.18Å; S260-N287 WeakPolarHBondContact O-CB 3.34Å; S260-N287 PolarHBondContact O-ND2 3.27Å; F261-N287 HydrophobicContact CD1-CB 4.32Å; F261-N287 HydrophobicContact CE1-CB 3.97Å; F261-N287 HydrophobicContact CZ-CB 4.24Å; Y275-N287 HydrophobicContact CD1-CB 4.21Å
288	V	83.2	Confident	71.4	Confident	62 Å²	62	82.8 Å²	82.8	38%	0.376	44%	0.437	S	S	.	.			trans	-124.1	107	-178.3	-179.7	0	0	0	0	108.4	Y275 K276 L278	Y275-V288 WeakPolarHBondContact CA-O 3.48Å; K276-V288 HydrophobicContact CB-CB 4.25Å; K276-V288 PolarHBondContact N-O 2.69Å; L278-V288 HydrophobicContact CD1-CG2 4.31Å; L278-V288 HydrophobicContact CD2-CG2 4.18Å
289	P	85	Confident	69.2	Low	84 Å²	84	89.3 Å²	89.3	55%	0.545	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	147.5	179.2	29.5	-33.8	0	0	0	111.9	Y275	Y275-P289 HydrophobicContact CD1-CB 4.14Å; Y275-P289 HydrophobicContact CE1-CB 3.85Å
290	I	80.6	Confident	67	Low	27 Å²	27	94.6 Å²	94.6	14%	0.138	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124	177.7	-56.5	173.6	0	0	0	108.5	R161 W274 K276	R161-I290 HydrophobicContact CB-CD1 3.64Å; W274-I290 HydrophobicContact CB-CB 3.89Å; W274-I290 HydrophobicContact CB-CD1 4.22Å; W274-I290 HydrophobicContact CB-CG1 4.43Å; W274-I290 PolarHBondContact O-N 2.88Å; K276-I290 HydrophobicContact CB-CD1 4.41Å
291	P	72.3	Confident	64.9	Low	111 Å²	111	92.1 Å²	92.1	72%	0.721	48%	0.482	S	S	*	.			trans	-63	140.8	-177.6	-20.5	31.2	0	0	0	114	G293	P291-G293 PolarHBondContact O-N 3.31Å; P291-G293 VanDerWaalsContact O-N 3.11Å
292	E	56.7	Low	63.3	Low	159 Å²	159	89.8 Å²	89.8	74%	0.743	47%	0.466	S	S	*	.	S	Bend	trans	-79	90.1	177	-65.8	-170.5	160.2	0	0	111.2
293	G	51.5	Low	61.6	Low	59 Å²	59	92.3 Å²	92.3	61%	0.608	48%	0.478	S	S	*	.			trans	-151.5	8.1	173.6	0	0	0	0	0	115.3	K35 P291	K35-G293 PolarHBondContact NZ-O 2.92Å; P291-G293 PolarHBondContact O-N 3.31Å; P291-G293 VanDerWaalsContact O-N 3.11Å
294	D	51.3	Low	59.3	Low	47 Å²	47	100.4 Å²	100.4	25%	0.251	51%	0.514	S	S	.	.	S	Bend	trans	-121	-0.9	-164.8	-76.3	-12.8	0	0	0	115.4	K35 T83	K35-D294 WeakPolarHBondContact CE-OD1 3.39Å; K35-D294 IonicContact NZ-OD1 2.72Å; K35-D294 PolarHBondContact NZ-OD1 3.48Å; T83-D294 WeakPolarHBondContact CG2-OD2 3.38Å
295	E	49.2	Very low	56.9	Low	88 Å²	88	104.5 Å²	104.5	41%	0.411	53%	0.53	S	S	.	.	S	Bend	trans	-93.4	-20.5	-167.4	-67.8	-142.4	141.7	0	0	116.6	K181 W274 G297 N298	K181-E295 IonicContact NZ-OE1 3.82Å; K181-E295 PolarHBondContact NZ-OE1 3.45Å; W274-E295 PolarHBondContact NE1-OE1 3.28Å; E295-G297 PolarHBondContact O-N 3.04Å; E295-N298 PolarHBondContact O-N 2.81Å
296	E	40.2	Very low	55.1	Low	197 Å²	197	106.8 Å²	106.8	92%	0.921	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-71.1	-28.2	-171.7	-87	173.5	160.6	0	0	114.7	N298	E296-N298 VanDerWaalsContact C-N 3.32Å; E296-N298 PolarHBondContact O-N 2.93Å
297	G	38.6	Very low	53.1	Low	63 Å²	63	109.3 Å²	109.3	65%	0.649	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-76.4	-13.6	-179.7	0	0	0	0	0	115.2	E295	E295-G297 PolarHBondContact O-N 3.04Å
298	N	47	Very low	50.5	Low	21 Å²	21	111.2 Å²	111.2	11%	0.112	58%	0.582	C	S	.	*	G	3₁₀ helix	trans	-101.9	-5.4	-162	-147.3	-3.2	0	0	0	114.4	E80 E295 E296	E80-N298 WeakPolarHBondContact CB-ND2 3.38Å; E80-N298 PolarHBondContact OE1-OD1 2.89Å; E80-N298 PolarHBondContact OE2-OD1 3.43Å; E295-N298 PolarHBondContact O-N 2.81Å; E296-N298 VanDerWaalsContact C-N 3.32Å; E296-N298 PolarHBondContact O-N 2.93Å
299	M	41.4	Very low	48.3	Very low	149 Å²	149	117.7 Å²	117.7	73%	0.734	61%	0.605	S	S	*	*	H	α-helix	trans	-83	-30.4	-175.5	-155.6	175.8	-70.5	0	0	113.2
300	E	40.3	Very low	45.7	Very low	160 Å²	160	122.6 Å²	122.6	75%	0.748	63%	0.625	S	S	*	*	H	α-helix	trans	-75.8	-25.9	-179.6	-82.4	-167.6	144.6	0	0	114.4
301	L	41.3	Very low	43.2	Very low	56 Å²	56	124.7 Å²	124.7	29%	0.293	65%	0.654	S	S	.	*	H	α-helix	trans	-76.4	-31.3	-178.7	-93.6	113.3	0	0	0	113.3	Q303 K304	L301-Q303 VanDerWaalsContact C-N 3.34Å; L301-Q303 PolarHBondContact O-N 2.79Å; L301-K304 PolarHBondContact O-N 3.04Å
302	R	46.8	Very low	41.5	Very low	105 Å²	105	125.9 Å²	125.9	40%	0.396	66%	0.661	S	S	.	*	H	α-helix	trans	-63.8	-36.8	-179.7	-72.8	-179.5	174.4	-157.9	-6.3	112.8	K304 F305	R302-K304 PolarHBondContact O-N 3.01Å; R302-F305 PolarHBondContact O-N 3.48Å
303	Q	44.5	Very low	40.2	Very low	149 Å²	149	123 Å²	123	70%	0.696	67%	0.665	S	S	*	*	H	α-helix	trans	-70.8	-16.4	-178.9	-72.4	-175.3	-7.6	0	0	114	L301	L301-Q303 VanDerWaalsContact C-N 3.34Å; L301-Q303 PolarHBondContact O-N 2.79Å
304	K	40.1	Very low	39.1	Very low	170 Å²	170	124 Å²	124	74%	0.739	68%	0.676	S	S	*	*	H	α-helix	trans	-87.5	-17.4	-179.9	-73.7	178	-179.2	166.8	0	113.7	L301 R302	L301-K304 PolarHBondContact O-N 3.04Å; R302-K304 PolarHBondContact O-N 3.01Å
305	F	36.3	Very low	38	Very low	170 Å²	170	129.4 Å²	129.4	75%	0.746	70%	0.704	S	S	*	*	H	α-helix	trans	-90	-29.2	-176.5	-106.5	-93.1	0	0	0	114.4	R302 K307	R302-F305 PolarHBondContact O-N 3.48Å; F305-K307 VanDerWaalsContact C-N 3.28Å; F305-K307 PolarHBondContact O-N 3.42Å
306	E	42.5	Very low	37	Very low	175 Å²	175	135.4 Å²	135.4	82%	0.818	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-71	-20.1	-179.3	-79	-179.1	149.3	0	0	113.9	A308	E306-A308 VanDerWaalsContact C-N 3.3Å; E306-A308 PolarHBondContact O-N 2.8Å
307	K	39.2	Very low	36.3	Very low	199 Å²	199	132.2 Å²	132.2	87%	0.865	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-79.2	0.6	-177.4	-87.6	-179.1	175.8	174.8	0	115.6	F305	F305-K307 VanDerWaalsContact C-N 3.28Å; F305-K307 PolarHBondContact O-N 3.42Å
308	A	33.3	Very low	35.7	Very low	85 Å²	85	137.3 Å²	137.3	70%	0.702	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-113.8	16	-168.3	0	0	0	0	0	116.8	E306	E306-A308 VanDerWaalsContact C-N 3.3Å; E306-A308 PolarHBondContact O-N 2.8Å
309	K	36.1	Very low	34.8	Very low	197 Å²	197	141.1 Å²	141.1	86%	0.857	76%	0.762	S	S	*	*			trans	-130.6	92.1	175.4	-78.9	-172.2	177.3	-178.6	0	113
310	L	30.7	Very low	34.2	Very low	187 Å²	187	140.1 Å²	140.1	98%	0.979	77%	0.766	S	S	*	*			trans	-147.1	119.5	154.8	-92	167.1	0	0	0	109.4
311	G	28.6	Very low	33.4	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	77%	0.767	S	S	*	*			trans	-178.7	115.8	171.2	0	0	0	0	0	109.6
312	P	37.1	Very low	32.7	Very low	135 Å²	135	144.1 Å²	144.1	88%	0.877	80%	0.795	S	S	*	*			trans	-97.6	143.8	-168.1	35.7	-30.6	0	0	0	112.5
313	A	29	Very low	31.7	Very low	99 Å²	99	146.5 Å²	146.5	82%	0.818	82%	0.816	S	S	*	*			trans	-134.8	125.2	163.4	0	0	0	0	0	109.3
314	G	28.6	Very low	31	Very low	81 Å²	81	151.2 Å²	151.2	84%	0.835	83%	0.827	S	S	*	*			trans	-81	149.7	-172.1	0	0	0	0	0	114.1
315	N	28.3	Very low	30.6	Very low	159 Å²	159	152.6 Å²	152.6	85%	0.85	83%	0.833	S	S	*	*			trans	-93.1	137.7	174.8	-79.1	-16	0	0	0	111.3
316	K	27.5	Very low	30.1	Very low	215 Å²	215	153.7 Å²	153.7	94%	0.935	84%	0.841	S	S	*	*			trans	-112.1	136	152.3	-84.3	-172.1	176.3	-178.7	0	109
317	V	26.3	Very low	29.8	Very low	130 Å²	130	150.7 Å²	150.7	79%	0.788	84%	0.837	S	S	*	*			trans	-96	139.2	-173.3	173.9	0	0	0	0	109.8
318	I	25.4	Very low	29.3	Very low	170 Å²	170	146.1 Å²	146.1	87%	0.872	83%	0.829	S	S	*	*			trans	-139.8	134.6	154.3	-56.8	-179.1	0	0	0	108.9
319	S	26.9	Very low	29.2	Very low	101 Å²	101	149 Å²	149	71%	0.706	83%	0.833	S	S	*	*			trans	-86.4	164.7	-176.2	48.5	0	0	0	0	114.3
320	P	28.6	Very low	29.2	Very low	127 Å²	127	145.7 Å²	145.7	83%	0.825	83%	0.825	S	S	*	*			trans	-100	157.2	-170.4	38.6	-32.8	0	0	0	114.6
321	S	24.4	Very low	29.6	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	82%	0.817	S	S	*	*			trans	-173.5	145.7	163.9	52.3	0	0	0	0	107.7
322	E	25.9	Very low	30.7	Very low	191 Å²	191	148 Å²	148	89%	0.893	82%	0.82	S	S	*	*			cis	-165.8	155.1	-6.7	-109.3	-177.2	164.9	0	0	105.5
323	D	27.3	Very low	32.3	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	81%	0.808	S	S	*	*			trans	-52	142	176.9	-83.5	-51.8	0	0	0	115.2
324	R	28	Very low	35	Very low	249 Å²	249	145.8 Å²	145.8	94%	0.94	78%	0.776	S	S	*	*			trans	-138.6	108	152	-81	-170.6	175.6	179.2	-0.8	111.5
325	K	31.9	Very low	37.9	Very low	198 Å²	198	146.4 Å²	146.4	86%	0.861	76%	0.756	S	S	*	*			trans	-77.8	136.6	161.8	-72.5	177.8	177.5	173.9	0	109.9
326	Q	26.8	Very low	40.8	Very low	193 Å²	193	141.4 Å²	141.4	90%	0.902	73%	0.729	S	S	*	*			trans	-140.7	156.6	151.2	-85.4	-164.6	-3.4	0	0	111.6
327	P	35.6	Very low	43.8	Very low	113 Å²	113	135.6 Å²	135.6	73%	0.734	71%	0.711	S	S	*	*			trans	-115.1	178.3	-155.2	34	-16.4	0	0	0	115.2
328	S	30	Very low	46.9	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	69%	0.688	S	S	*	*			trans	87.5	137.6	165.3	87.1	0	0	0	0	115.6
329	N	29.8	Very low	50.1	Low	145 Å²	145	124.5 Å²	124.5	78%	0.775	65%	0.649	S	S	*	*			cis	-144.4	138.2	24.9	-81.4	-48.8	0	0	0	111.1
330	N	35.7	Very low	53.1	Low	128 Å²	128	122.8 Å²	122.8	68%	0.684	63%	0.632	S	S	*	*			trans	-91	108.8	173.8	-85.2	-52	0	0	0	110.2
331	L	40.3	Very low	56.1	Low	154 Å²	154	118.9 Å²	118.9	81%	0.806	60%	0.602	S	S	*	*	S	Bend	trans	-116.3	120.9	145.5	-86.1	117	0	0	0	106.5	R333	L331-R333 PolarHBondContact O-N 2.82Å
332	D	52.3	Low	59	Low	154 Å²	154	116.6 Å²	116.6	82%	0.824	58%	0.581	S	S	*	*			trans	30.3	55.8	166.2	-66.6	-24.2	0	0	0	118.4	V334	D332-V334 PolarHBondContact O-N 2.85Å
333	R	69.3	Low	61.8	Low	164 Å²	164	109.2 Å²	109.2	62%	0.619	55%	0.547	S	S	*	.			trans	-82.4	111.4	167.1	-80	-176.9	148.1	-175.5	-6.6	109.8	L331 K335	L331-R333 PolarHBondContact O-N 2.82Å; R333-K335 WeakPolarHBondContact O-CG 3.16Å; R333-K335 PolarHBondContact O-N 2.88Å
334	V	85.8	Confident	64.6	Low	24 Å²	24	102.3 Å²	102.3	15%	0.145	51%	0.51	C	S	.	.			trans	-54.1	131.3	165.6	178.1	0	0	0	0	109.3	D332 F339 F407 V659	D332-V334 PolarHBondContact O-N 2.85Å; V334-F339 HydrophobicContact CG1-CE2 3.46Å; V334-F339 VanDerWaalsContact CG1-CE2 3.46Å; V334-F339 HydrophobicContact CG1-CZ 3.74Å; V334-F407 HydrophobicContact CB-CD1 4.47Å; V334-F407 HydrophobicContact CG1-CD1 3.91Å; V334-F407 HydrophobicContact CG1-CE1 4.1Å; V334-F407 WeakPolarHBondContact O-CB 3.41Å; V334-V659 HydrophobicContact CG2-CG2 4.19Å
335	K	90.2	Very high	67.1	Low	94 Å²	94	91.1 Å²	91.1	41%	0.409	47%	0.469	S	S	.	.			trans	-127.8	162	-176.9	-70.9	168.7	-167.1	175.2	0	111.3	R333 T337 D338 F339	R333-K335 WeakPolarHBondContact O-CG 3.16Å; R333-K335 PolarHBondContact O-N 2.88Å; K335-T337 PolarHBondContact O-N 2.78Å; K335-D338 PolarHBondContact N-OD2 3.25Å; K335-D338 WeakPolarHBondContact O-CB 3.25Å; K335-D338 PolarHBondContact O-N 2.72Å; K335-F339 WeakPolarHBondContact O-CD2 3.34Å
336	L	89.4	Confident	69.2	Low	54 Å²	54	82.4 Å²	82.4	28%	0.283	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-54	-36.7	174.1	-173.7	61.2	0	0	0	112.8	D338 F339 F341 F407 Y414 L637	L336-D338 PolarHBondContact O-N 3.11Å; L336-D338 VanDerWaalsContact O-N 3.15Å; L336-F339 PolarHBondContact O-N 2.92Å; L336-F341 HydrophobicContact CD1-CE2 3.65Å; L336-F341 HydrophobicContact CD1-CZ 3.58Å; L336-F407 HydrophobicContact CB-CE2 3.93Å; L336-F407 HydrophobicContact CB-CZ 4.3Å; L336-F407 HydrophobicContact CD1-CE2 4.49Å; L336-F407 HydrophobicContact CD1-CZ 4.36Å; L336-Y414 HydrophobicContact CD1-CD1 4.11Å; L336-Y414 HydrophobicContact CD1-CE1 3.44Å; L336-Y414 VanDerWaalsContact CD1-CE1 3.44Å; L336-L637 HydrophobicContact CD1-CD1 4.48Å; L336-L637 HydrophobicContact CD2-CD1 4.41Å
337	T	89.9	Confident	71.4	Confident	92 Å²	92	80.2 Å²	80.2	56%	0.564	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-66.2	-13.5	-178.8	47.8	0	0	0	0	113.9	K335 F339 K359	K335-T337 PolarHBondContact O-N 2.78Å; T337-F339 VanDerWaalsContact C-N 3.29Å; T337-K359 VanDerWaalsContact O-CD 3.26Å; T337-K359 WeakPolarHBondContact O-CD 3.45Å; T337-K359 VanDerWaalsContact O-CE 3.25Å; T337-K359 WeakPolarHBondContact O-CE 3.44Å; T337-K359 PolarHBondContact O-NZ 3.4Å
338	D	91.4	Very high	72.7	Confident	58 Å²	58	77.1 Å²	77.1	31%	0.31	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-85.3	-6.9	-177.1	-52.5	-23.5	0	0	0	112	K335 L336 K359	K335-D338 PolarHBondContact N-OD2 3.25Å; K335-D338 WeakPolarHBondContact O-CB 3.25Å; K335-D338 PolarHBondContact O-N 2.72Å; L336-D338 PolarHBondContact O-N 3.11Å; L336-D338 VanDerWaalsContact O-N 3.15Å; D338-K359 WeakPolarHBondContact O-CB 3.26Å; D338-K359 PolarHBondContact O-N 2.9Å
339	F	93.1	Very high	73.8	Confident	9 Å²	9	76.7 Å²	76.7	4%	0.039	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149	-177.8	-60.3	-81.1	0	0	0	112.1	V334 K335 L336 T337 A356 D357 R358 Y365 I367 F407 V416	V334-F339 HydrophobicContact CG1-CE2 3.46Å; V334-F339 VanDerWaalsContact CG1-CE2 3.46Å; V334-F339 HydrophobicContact CG1-CZ 3.74Å; K335-F339 WeakPolarHBondContact O-CD2 3.34Å; L336-F339 PolarHBondContact O-N 2.92Å; T337-F339 VanDerWaalsContact C-N 3.29Å; F339-A356 HydrophobicContact CB-CB 4.22Å; F339-A356 HydrophobicContact CD1-CB 4.49Å; F339-D357 CarbonylContact C-O 3.52Å; F339-D357 WeakPolarHBondContact CA-O 3.49Å; F339-R358 HydrophobicContact CD1-CB 4.32Å; F339-R358 HydrophobicContact CE1-CB 4.24Å; F339-Y365 AromaticContact CE1-CD2 3.97Å; F339-Y365 HydrophobicContact CE1-CD2 3.97Å; F339-Y365 HydrophobicContact CE1-CE2 4.38Å; F339-Y365 HydrophobicContact CE1-CG 4.42Å; F339-I367 HydrophobicContact CB-CD1 4.07Å; F339-I367 HydrophobicContact CD1-CD1 3.74Å; F339-I367 HydrophobicContact CD2-CD1 4.04Å; F339-I367 HydrophobicContact CE1-CD1 4.17Å; F339-I367 HydrophobicContact CE2-CD1 4.43Å; F339-I367 HydrophobicContact CG-CD1 3.66Å; F339-F407 HydrophobicContact CD2-CE1 4.36Å; F339-F407 HydrophobicContact CD2-CZ 4.48Å; F339-F407 AromaticContact CE2-CE1 3.85Å; F339-F407 HydrophobicContact CE2-CE1 3.85Å; F339-F407 HydrophobicContact CE2-CZ 4.39Å; F339-V416 HydrophobicContact CE1-CG1 3.95Å; F339-V416 HydrophobicContact CE2-CG2 4.08Å; F339-V416 HydrophobicContact CZ-CB 4.48Å; F339-V416 HydrophobicContact CZ-CG1 3.8Å; F339-V416 HydrophobicContact CZ-CG2 3.87Å
340	N	89.7	Confident	75.4	Confident	65 Å²	65	72.9 Å²	72.9	35%	0.348	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.4	165.7	-59.5	-50.3	0	0	0	108.7	A356 D357 K359	N340-A356 CarbonylContact O-C 3.03Å; N340-A356 WeakPolarHBondContact O-CA 3.29Å; N340-A356 VanDerWaalsContact O-CB 3.27Å; N340-A356 WeakPolarHBondContact O-CB 3.39Å; N340-D357 WeakPolarHBondContact CB-OD1 2.9Å; N340-D357 PolarHBondContact N-O 3.44Å; N340-D357 PolarHBondContact ND2-OD2 2.9Å; N340-D357 PolarHBondContact O-N 3.31Å; N340-K359 WeakPolarHBondContact ND2-CG 3.15Å; N340-K359 WeakPolarHBondContact OD1-CE 3.38Å
341	F	90.9	Very high	77.4	Confident	46 Å²	46	67.7 Å²	67.7	20%	0.202	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.4	176.4	-65.9	-63.8	0	0	0	111.1	L336 M354 A356 I367 I369 P635 L637	L336-F341 HydrophobicContact CD1-CE2 3.65Å; L336-F341 HydrophobicContact CD1-CZ 3.58Å; F341-M354 HydrophobicContact CB-CE 3.68Å; F341-M354 HydrophobicContact CD1-CB 3.72Å; F341-M354 HydrophobicContact CD1-CE 4.01Å; F341-M354 HydrophobicContact CD1-CG 4.39Å; F341-M354 HydrophobicContact CD1-SD 3.82Å; F341-M354 HydrophobicContact CD2-CE 4.5Å; F341-M354 HydrophobicContact CE1-CB 4.1Å; F341-M354 HydrophobicContact CE1-SD 4.1Å; F341-M354 HydrophobicContact CG-CE 3.82Å; F341-M354 HydrophobicContact CG-SD 4.05Å; F341-A356 HydrophobicContact CD1-CB 3.88Å; F341-A356 HydrophobicContact CE1-CB 4.27Å; F341-I367 HydrophobicContact CE1-CB 4.3Å; F341-I367 HydrophobicContact CE1-CD1 3.99Å; F341-I367 HydrophobicContact CE1-CG2 4.49Å; F341-I369 HydrophobicContact CE1-CD1 3.78Å; F341-I369 HydrophobicContact CZ-CD1 3.74Å; F341-P635 HydrophobicContact CB-CB 4.06Å; F341-L637 HydrophobicContact CE2-CD1 4.04Å; F341-L637 HydrophobicContact CE2-CG 4.4Å; F341-L637 HydrophobicContact CZ-CD1 4.45Å
342	L	85.1	Confident	79.6	Confident	60 Å²	60	63.3 Å²	63.3	31%	0.314	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-47.9	-175.6	-62.5	177.4	0	0	0	111.8	L355 D357 L364	L342-L355 HydrophobicContact CB-CD2 4.49Å; L342-L355 HydrophobicContact CB-CG 4.34Å; L342-L355 HydrophobicContact CD1-CD2 4.37Å; L342-L355 HydrophobicContact CD1-CG 4.22Å; L342-L355 PolarHBondContact N-O 3.48Å; L342-D357 HydrophobicContact CD1-CB 4.38Å; L342-D357 VanDerWaalsContact CD2-OD1 3.29Å; L342-D357 WeakPolarHBondContact CD2-OD1 3.35Å; L342-D357 WeakPolarHBondContact CG-OD1 3.4Å; L342-L364 HydrophobicContact CD1-CD2 3.73Å
343	M	85.3	Confident	81.4	Confident	37 Å²	37	57.9 Å²	57.9	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	165.9	-178.8	60	-171.8	78.7	0	0	112	L345 M354 L355 A623 T631	M343-L345 HydrophobicContact CG-CD2 4.36Å; M343-M354 CarbonylContact O-C 3.6Å; M343-M354 WeakPolarHBondContact O-CA 3.32Å; M343-L355 HydrophobicContact CE-CD2 4.14Å; M343-L355 HydrophobicContact CG-CB 3.79Å; M343-L355 HydrophobicContact CG-CD2 4.01Å; M343-L355 PolarHBondContact O-N 3.2Å; M343-L355 HydrophobicContact SD-CD2 4.14Å; M343-A623 HydrophobicContact CE-CB 4.47Å; M343-A623 HydrophobicContact SD-CB 3.25Å; M343-A623 WeakPolarHBondContact SD-CB 3.5Å; M343-T631 HydrophobicContact SD-CG2 4.15Å
344	V	85.1	Confident	82.4	Confident	10 Å²	10	50.1 Å²	50.1	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.9	171.7	-177.6	0	0	0	0	108.8	M354 F630 T631	V344-M354 HydrophobicContact CG2-CE 4.19Å; V344-F630 HydrophobicContact CG1-CB 4.43Å; V344-F630 CarbonylContact O-C 3.55Å; V344-F630 WeakPolarHBondContact O-CB 3.33Å; V344-T631 PolarHBondContact O-N 3Å
345	L	81	Confident	82.6	Confident	13 Å²	13	49 Å²	49	7%	0.068	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-30.6	176.9	-63.9	177.7	0	0	0	111.9	M343 V353 L355 A366 Y419 A623 F626	M343-L345 HydrophobicContact CG-CD2 4.36Å; L345-V353 HydrophobicContact CB-CG1 4.3Å; L345-V353 HydrophobicContact CD1-CG1 4.39Å; L345-V353 PolarHBondContact N-O 2.82Å; L345-L355 HydrophobicContact CD1-CB 3.95Å; L345-L355 HydrophobicContact CD2-CB 3.98Å; L345-L355 HydrophobicContact CG-CB 3.89Å; L345-A366 HydrophobicContact CD1-CB 4.23Å; L345-Y419 HydrophobicContact CD1-CD2 3.96Å; L345-Y419 HydrophobicContact CD1-CE2 3.71Å; L345-Y419 HydrophobicContact CD2-CE2 4.17Å; L345-A623 HydrophobicContact CD2-CB 3.86Å; L345-F626 HydrophobicContact CB-CD1 4.01Å; L345-F626 HydrophobicContact CB-CE1 4.03Å; L345-F626 HydrophobicContact CD1-CE1 4.24Å; L345-F626 HydrophobicContact CD1-CZ 4.3Å; L345-F626 HydrophobicContact CD2-CD1 3.89Å; L345-F626 HydrophobicContact CD2-CD2 4.06Å; L345-F626 HydrophobicContact CD2-CE1 4Å; L345-F626 HydrophobicContact CD2-CE2 4.17Å; L345-F626 HydrophobicContact CD2-CG 3.92Å; L345-F626 HydrophobicContact CD2-CZ 4.13Å; L345-F626 HydrophobicContact CG-CD1 4.45Å; L345-F626 HydrophobicContact CG-CE1 4.31Å
346	G	76.9	Confident	82.7	Confident	16 Å²	16	44.5 Å²	44.5	17%	0.165	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	165.2	179.3	0	0	0	0	0	113	K352 V353	G346-K352 WeakPolarHBondContact O-CA 3.22Å; G346-V353 PolarHBondContact N-O 3.5Å; G346-V353 PolarHBondContact O-N 2.86Å
347	K	72.2	Confident	82.7	Confident	147 Å²	147	42.9 Å²	42.9	64%	0.639	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133	125.1	175.1	-175.3	-179	176.5	-165.6	0	108.9	K352 F630	K347-K352 HydrophobicContact CB-CG 4.46Å; K347-K352 HydrophobicContact CG-CG 4.11Å; K347-F630 HydrophobicContact CB-CD1 4.5Å; K347-F630 HydrophobicContact CB-CE1 4.07Å
348	G	62.5	Low	82.8	Confident	48 Å²	48	43 Å²	43	50%	0.495	24%	0.235	S	C	.	.			trans	-108.9	-173.8	176	0	0	0	0	0	112.1	F350 G351	G348-F350 PolarHBondContact O-N 3.45Å; G348-G351 PolarHBondContact N-O 3.3Å
349	S	53.8	Low	82.6	Confident	93 Å²	93	45.3 Å²	45.3	65%	0.65	24%	0.242	S	C	*	.	S	Bend	trans	-56.8	-46.3	175.6	44.1	0	0	0	0	112.2
350	F	63.4	Low	82.3	Confident	65 Å²	65	49.1 Å²	49.1	29%	0.285	28%	0.284	S	S	.	.	S	Bend	trans	-99.4	-6.6	-170.5	-48.7	-64.4	0	0	0	114.4	G348 L370 V374 D378 D380	G348-F350 PolarHBondContact O-N 3.45Å; F350-L370 HydrophobicContact CB-CD2 3.91Å; F350-V374 HydrophobicContact CD1-CG1 4.34Å; F350-D378 HydrophobicContact CD1-CB 4.36Å; F350-D378 WeakPolarHBondContact CD1-OD2 3.5Å; F350-D378 HydrophobicContact CE1-CB 3.81Å; F350-D378 VanDerWaalsContact CE1-OD2 3.26Å; F350-D378 WeakPolarHBondContact CE1-OD2 3.47Å; F350-D380 HydrophobicContact CE1-CB 4.48Å; F350-D380 WeakPolarHBondContact CE1-OD2 3.49Å; F350-D380 WeakPolarHBondContact CZ-OD2 3.48Å
351	G	77.7	Confident	82.1	Confident	19 Å²	19	48.6 Å²	48.6	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-166	-168.8	0	0	0	0	0	116.9	G348 I369	G348-G351 PolarHBondContact N-O 3.3Å; G351-I369 WeakPolarHBondContact CA-O 3.34Å
352	K	86.8	Confident	81.6	Confident	62 Å²	62	53.8 Å²	53.8	27%	0.27	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.8	178.7	-65.1	-176.3	-171.7	-179.4	0	110.1	G346 K347 I369	G346-K352 WeakPolarHBondContact O-CA 3.22Å; K347-K352 HydrophobicContact CB-CG 4.46Å; K347-K352 HydrophobicContact CG-CG 4.11Å; K352-I369 PolarHBondContact N-O 2.95Å; K352-I369 PolarHBondContact O-N 3.09Å
353	V	89.7	Confident	81.6	Confident	40 Å²	40	52.8 Å²	52.8	24%	0.242	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.1	169.7	-173.8	0	0	0	0	107.9	L345 G346 A366 I367 K368	L345-V353 HydrophobicContact CB-CG1 4.3Å; L345-V353 HydrophobicContact CD1-CG1 4.39Å; L345-V353 PolarHBondContact N-O 2.82Å; G346-V353 PolarHBondContact N-O 3.5Å; G346-V353 PolarHBondContact O-N 2.86Å; V353-A366 HydrophobicContact CG1-CB 4.31Å; V353-I367 WeakPolarHBondContact CA-O 3.21Å; V353-K368 HydrophobicContact CG2-CB 4.17Å; V353-K368 HydrophobicContact CG2-CG 4.23Å
354	M	90	Very high	81.8	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.2	-177.1	-60.5	-170.4	75.6	0	0	110.8	F341 M343 V344 I367 I369 P635 L637	F341-M354 HydrophobicContact CB-CE 3.68Å; F341-M354 HydrophobicContact CD1-CB 3.72Å; F341-M354 HydrophobicContact CD1-CE 4.01Å; F341-M354 HydrophobicContact CD1-CG 4.39Å; F341-M354 HydrophobicContact CD1-SD 3.82Å; F341-M354 HydrophobicContact CD2-CE 4.5Å; F341-M354 HydrophobicContact CE1-CB 4.1Å; F341-M354 HydrophobicContact CE1-SD 4.1Å; F341-M354 HydrophobicContact CG-CE 3.82Å; F341-M354 HydrophobicContact CG-SD 4.05Å; M343-M354 CarbonylContact O-C 3.6Å; M343-M354 WeakPolarHBondContact O-CA 3.32Å; V344-M354 HydrophobicContact CG2-CE 4.19Å; M354-I367 PolarHBondContact N-O 2.83Å; M354-I367 PolarHBondContact O-N 2.86Å; M354-I369 HydrophobicContact CB-CD1 4.46Å; M354-I369 HydrophobicContact CG-CD1 4.03Å; M354-I369 HydrophobicContact SD-CD1 3.66Å; M354-P635 VanDerWaalsContact CE-C 3.44Å; M354-P635 HydrophobicContact CE-CB 3.54Å; M354-L637 HydrophobicContact SD-CD2 3.77Å
355	L	91.3	Very high	82.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.6	165.8	-177.9	60.2	0	0	0	108.6	L342 M343 L345 L364 Y419	L342-L355 HydrophobicContact CB-CD2 4.49Å; L342-L355 HydrophobicContact CB-CG 4.34Å; L342-L355 HydrophobicContact CD1-CD2 4.37Å; L342-L355 HydrophobicContact CD1-CG 4.22Å; L342-L355 PolarHBondContact N-O 3.48Å; M343-L355 HydrophobicContact CE-CD2 4.14Å; M343-L355 HydrophobicContact CG-CB 3.79Å; M343-L355 HydrophobicContact CG-CD2 4.01Å; M343-L355 PolarHBondContact O-N 3.2Å; M343-L355 HydrophobicContact SD-CD2 4.14Å; L345-L355 HydrophobicContact CD1-CB 3.95Å; L345-L355 HydrophobicContact CD2-CB 3.98Å; L345-L355 HydrophobicContact CG-CB 3.89Å; L355-L364 HydrophobicContact CD1-CB 4.28Å; L355-L364 HydrophobicContact CD1-CD2 4.35Å; L355-Y419 HydrophobicContact CD1-CD1 3.76Å; L355-Y419 HydrophobicContact CD1-CD2 3.6Å; L355-Y419 HydrophobicContact CD1-CE1 3.89Å; L355-Y419 HydrophobicContact CD1-CE2 3.76Å; L355-Y419 HydrophobicContact CD1-CG 3.6Å; L355-Y419 HydrophobicContact CD2-CE1 4.42Å
356	A	91.5	Very high	82.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.9	176.9	0	0	0	0	0	111.8	F339 N340 F341 L364 Y365 I367	F339-A356 HydrophobicContact CB-CB 4.22Å; F339-A356 HydrophobicContact CD1-CB 4.49Å; N340-A356 CarbonylContact O-C 3.03Å; N340-A356 WeakPolarHBondContact O-CA 3.29Å; N340-A356 VanDerWaalsContact O-CB 3.27Å; N340-A356 WeakPolarHBondContact O-CB 3.39Å; F341-A356 HydrophobicContact CD1-CB 3.88Å; F341-A356 HydrophobicContact CE1-CB 4.27Å; A356-L364 WeakPolarHBondContact O-CA 3.34Å; A356-Y365 PolarHBondContact N-O 3.11Å; A356-Y365 PolarHBondContact O-N 3.21Å; A356-I367 HydrophobicContact CB-CD1 3.59Å; A356-I367 HydrophobicContact CB-CG1 4.11Å
357	D	90.1	Very high	83.7	Confident	19 Å²	19	51 Å²	51	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	149	163	62	-78.5	0	0	0	111	F339 N340 L342 E363 L364	F339-D357 CarbonylContact C-O 3.52Å; F339-D357 WeakPolarHBondContact CA-O 3.49Å; N340-D357 WeakPolarHBondContact CB-OD1 2.9Å; N340-D357 PolarHBondContact N-O 3.44Å; N340-D357 PolarHBondContact ND2-OD2 2.9Å; N340-D357 PolarHBondContact O-N 3.31Å; L342-D357 HydrophobicContact CD1-CB 4.38Å; L342-D357 VanDerWaalsContact CD2-OD1 3.29Å; L342-D357 WeakPolarHBondContact CD2-OD1 3.35Å; L342-D357 WeakPolarHBondContact CG-OD1 3.4Å; D357-E363 VanDerWaalsContact CA-O 3.31Å; D357-E363 WeakPolarHBondContact CA-O 3.44Å; D357-L364 HydrophobicContact CB-CD2 4.1Å
358	R	90.6	Very high	84.7	Confident	94 Å²	94	45.2 Å²	45.2	36%	0.355	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.4	170.5	179.3	-179.7	-175.8	-179.1	2.8	109.7	F339 G360 T361 E363 Y365	F339-R358 HydrophobicContact CD1-CB 4.32Å; F339-R358 HydrophobicContact CE1-CB 4.24Å; R358-G360 PolarHBondContact O-N 3.19Å; R358-T361 PolarHBondContact O-N 3.02Å; R358-T361 VanDerWaalsContact O-O 3.1Å; R358-T361 PolarHBondContact O-OG1 3.14Å; R358-E363 PolarHBondContact N-O 2.8Å; R358-E363 VanDerWaalsContact N-O 3.09Å; R358-E363 IonicContact NH1-OE2 2.76Å; R358-Y365 HydrophobicContact CB-CD2 4.32Å; R358-Y365 HydrophobicContact CB-CE2 3.85Å
359	K	88.9	Confident	86.3	Confident	107 Å²	107	43 Å²	43	47%	0.465	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	130.2	-179.3	-74.9	-179	-176.5	170	0	111.1	T337 D338 N340 T361	T337-K359 VanDerWaalsContact O-CD 3.26Å; T337-K359 WeakPolarHBondContact O-CD 3.45Å; T337-K359 VanDerWaalsContact O-CE 3.25Å; T337-K359 WeakPolarHBondContact O-CE 3.44Å; T337-K359 PolarHBondContact O-NZ 3.4Å; D338-K359 WeakPolarHBondContact O-CB 3.26Å; D338-K359 PolarHBondContact O-N 2.9Å; N340-K359 WeakPolarHBondContact ND2-CG 3.15Å; N340-K359 WeakPolarHBondContact OD1-CE 3.38Å; K359-T361 VanDerWaalsContact C-N 3.29Å
360	G	84.8	Confident	88.1	Confident	89 Å²	89	38.9 Å²	38.9	92%	0.918	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-2.9	-179.9	0	0	0	0	0	114.3	R358	R358-G360 PolarHBondContact O-N 3.19Å
361	T	86.6	Confident	89.4	Confident	55 Å²	55	38.9 Å²	38.9	34%	0.337	21%	0.212	S	C	.	.	S	Bend	trans	-127.2	172.8	171.7	75.5	0	0	0	0	110.4	R358 K359 E363	R358-T361 PolarHBondContact O-N 3.02Å; R358-T361 VanDerWaalsContact O-O 3.1Å; R358-T361 PolarHBondContact O-OG1 3.14Å; K359-T361 VanDerWaalsContact C-N 3.29Å; T361-E363 WeakPolarHBondContact OG1-CB 3.49Å; T361-E363 WeakPolarHBondContact OG1-CG 3.2Å; T361-E363 PolarHBondContact OG1-N 2.82Å; T361-E363 PolarHBondContact OG1-OE2 2.87Å; T361-E363 VanDerWaalsContact OG1-OE2 3.05Å
362	E	79.3	Confident	90	Very high	154 Å²	154	38 Å²	38	72%	0.72	20%	0.203	S	C	*	.			trans	-100.5	14	170.7	-60.7	-167.2	155.6	0	0	112
363	E	85.6	Confident	89.8	Confident	39 Å²	39	37.3 Å²	37.3	18%	0.182	20%	0.202	C	C	.	.			trans	-74.3	127	-176.6	-63.4	172.1	145.7	0	0	110.5	D357 R358 T361 Y365 H665	D357-E363 VanDerWaalsContact CA-O 3.31Å; D357-E363 WeakPolarHBondContact CA-O 3.44Å; R358-E363 PolarHBondContact N-O 2.8Å; R358-E363 VanDerWaalsContact N-O 3.09Å; R358-E363 IonicContact NH1-OE2 2.76Å; T361-E363 WeakPolarHBondContact OG1-CB 3.49Å; T361-E363 WeakPolarHBondContact OG1-CG 3.2Å; T361-E363 PolarHBondContact OG1-N 2.82Å; T361-E363 PolarHBondContact OG1-OE2 2.87Å; T361-E363 VanDerWaalsContact OG1-OE2 3.05Å; E363-Y365 HydrophobicContact CB-CD2 4.5Å; E363-Y365 HydrophobicContact CB-CE2 3.62Å; E363-Y365 PolarHBondContact OE2-OH 2.78Å; E363-H665 WeakPolarHBondContact CB-NE2 3.38Å
364	L	90.3	Very high	89.5	Confident	27 Å²	27	36.8 Å²	36.8	14%	0.141	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.5	-179.4	-68	175.5	0	0	0	110.7	L342 L355 A356 D357 Y419 K621	L342-L364 HydrophobicContact CD1-CD2 3.73Å; L355-L364 HydrophobicContact CD1-CB 4.28Å; L355-L364 HydrophobicContact CD1-CD2 4.35Å; A356-L364 WeakPolarHBondContact O-CA 3.34Å; D357-L364 HydrophobicContact CB-CD2 4.1Å; L364-Y419 HydrophobicContact CB-CD1 4.05Å; L364-Y419 HydrophobicContact CB-CG 4.47Å; L364-Y419 HydrophobicContact CD1-CD1 4.11Å; L364-Y419 HydrophobicContact CD1-CE1 4.34Å; L364-K621 HydrophobicContact CD1-CG 4.39Å
365	Y	92.9	Very high	89.2	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.4	-179.7	-62.7	-85.2	0	0	0	111.2	F339 A356 R358 E363 H404 V416 M417 F663	F339-Y365 AromaticContact CE1-CD2 3.97Å; F339-Y365 HydrophobicContact CE1-CD2 3.97Å; F339-Y365 HydrophobicContact CE1-CE2 4.38Å; F339-Y365 HydrophobicContact CE1-CG 4.42Å; A356-Y365 PolarHBondContact N-O 3.11Å; A356-Y365 PolarHBondContact O-N 3.21Å; R358-Y365 HydrophobicContact CB-CD2 4.32Å; R358-Y365 HydrophobicContact CB-CE2 3.85Å; E363-Y365 HydrophobicContact CB-CD2 4.5Å; E363-Y365 HydrophobicContact CB-CE2 3.62Å; E363-Y365 PolarHBondContact OE2-OH 2.78Å; Y365-H404 HydrophobicContact CD1-CB 4.21Å; Y365-H404 HydrophobicContact CE1-CB 3.82Å; Y365-H404 AromaticContact CE1-CD2 3.81Å; Y365-H404 AromaticContact CE1-CG 3.77Å; Y365-V416 HydrophobicContact CD1-CG1 3.64Å; Y365-V416 HydrophobicContact CE1-CG1 4.32Å; Y365-V416 HydrophobicContact CG-CG1 3.76Å; Y365-M417 WeakPolarHBondContact CA-O 3.25Å; Y365-F663 AromaticContact CE1-CE1 3.91Å; Y365-F663 HydrophobicContact CE1-CE1 3.91Å; Y365-F663 AromaticContact CE1-CZ 3.92Å; Y365-F663 HydrophobicContact CE1-CZ 3.92Å
366	A	93.5	Very high	88.7	Confident	9 Å²	9	39.5 Å²	39.5	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.4	164.6	0	0	0	0	0	108.6	L345 V353 M417 Y419	L345-A366 HydrophobicContact CD1-CB 4.23Å; V353-A366 HydrophobicContact CG1-CB 4.31Å; A366-M417 HydrophobicContact CB-CE 4.49Å; A366-M417 PolarHBondContact N-O 3.07Å; A366-M417 WeakPolarHBondContact O-CB 3.3Å; A366-M417 PolarHBondContact O-N 3.48Å; A366-Y419 HydrophobicContact CB-CD2 4.45Å
367	I	95.5	Very high	87.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	109.7	-178.6	-52	-174.5	0	0	0	109.3	F339 F341 V353 M354 A356 I369 Y414 F415 V416	F339-I367 HydrophobicContact CB-CD1 4.07Å; F339-I367 HydrophobicContact CD1-CD1 3.74Å; F339-I367 HydrophobicContact CD2-CD1 4.04Å; F339-I367 HydrophobicContact CE1-CD1 4.17Å; F339-I367 HydrophobicContact CE2-CD1 4.43Å; F339-I367 HydrophobicContact CG-CD1 3.66Å; F341-I367 HydrophobicContact CE1-CB 4.3Å; F341-I367 HydrophobicContact CE1-CD1 3.99Å; F341-I367 HydrophobicContact CE1-CG2 4.49Å; V353-I367 WeakPolarHBondContact CA-O 3.21Å; M354-I367 PolarHBondContact N-O 2.83Å; M354-I367 PolarHBondContact O-N 2.86Å; A356-I367 HydrophobicContact CB-CD1 3.59Å; A356-I367 HydrophobicContact CB-CG1 4.11Å; I367-I369 HydrophobicContact CG2-CD1 4.31Å; I367-I369 HydrophobicContact CG2-CG1 3.84Å; I367-Y414 HydrophobicContact CG2-CD1 4.02Å; I367-F415 CarbonylContact C-O 3.22Å; I367-F415 VanDerWaalsContact CA-O 3.27Å; I367-F415 WeakPolarHBondContact CA-O 3.32Å; I367-V416 HydrophobicContact CD1-CG2 4.42Å; I367-V416 HydrophobicContact CG1-CG1 4.37Å; I367-V416 HydrophobicContact CG1-CG2 4.44Å
368	K	94.7	Very high	87.1	Confident	27 Å²	27	49.6 Å²	49.6	12%	0.117	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.9	171.4	178.8	176.7	179.2	-176.4	0	108.6	V353 L370 E387 Y414 F415 M417 D481	V353-K368 HydrophobicContact CG2-CB 4.17Å; V353-K368 HydrophobicContact CG2-CG 4.23Å; K368-L370 HydrophobicContact CG-CD2 4.19Å; K368-E387 IonicContact NZ-OE1 3.1Å; K368-E387 PolarHBondContact NZ-OE1 2.96Å; K368-E387 IonicContact NZ-OE2 3.76Å; K368-E387 PolarHBondContact NZ-OE2 3.35Å; K368-Y414 WeakPolarHBondContact O-CA 2.98Å; K368-F415 HydrophobicContact CB-CB 4.21Å; K368-F415 PolarHBondContact N-O 3.11Å; K368-F415 PolarHBondContact O-N 3.1Å; K368-M417 HydrophobicContact CB-CE 3.66Å; K368-D481 IonicContact NZ-OD1 3.85Å; K368-D481 PolarHBondContact NZ-OD1 3.35Å
369	I	94.3	Very high	86.6	Confident	2 Å²	2	52 Å²	52	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.7	-171.6	-50.9	173.4	0	0	0	108.5	F341 G351 K352 M354 I367 R412 L413 Y414 L637	F341-I369 HydrophobicContact CE1-CD1 3.78Å; F341-I369 HydrophobicContact CZ-CD1 3.74Å; G351-I369 WeakPolarHBondContact CA-O 3.34Å; K352-I369 PolarHBondContact N-O 2.95Å; K352-I369 PolarHBondContact O-N 3.09Å; M354-I369 HydrophobicContact CB-CD1 4.46Å; M354-I369 HydrophobicContact CG-CD1 4.03Å; M354-I369 HydrophobicContact SD-CD1 3.66Å; I367-I369 HydrophobicContact CG2-CD1 4.31Å; I367-I369 HydrophobicContact CG2-CG1 3.84Å; I369-R412 HydrophobicContact CG2-CB 4.37Å; I369-R412 HydrophobicContact CG2-CG 4.38Å; I369-L413 WeakPolarHBondContact CA-O 3.44Å; I369-Y414 HydrophobicContact CB-CD1 4.38Å; I369-Y414 HydrophobicContact CB-CE1 4.37Å; I369-Y414 HydrophobicContact CD1-CD1 4.14Å; I369-Y414 HydrophobicContact CD1-CE1 3.92Å; I369-Y414 HydrophobicContact CG1-CD1 3.73Å; I369-Y414 HydrophobicContact CG1-CE1 3.9Å; I369-Y414 HydrophobicContact CG2-CD1 4.02Å; I369-Y414 HydrophobicContact CG2-CE1 3.63Å; I369-L637 HydrophobicContact CD1-CD1 4.49Å; I369-L637 HydrophobicContact CD1-CD2 3.63Å; I369-L637 HydrophobicContact CG2-CD2 4.3Å
370	L	92.4	Very high	86.4	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.8	178.3	-51.3	-179	0	0	0	109.5	F350 K368 V375 T384 R412 L413 F415	F350-L370 HydrophobicContact CB-CD2 3.91Å; K368-L370 HydrophobicContact CG-CD2 4.19Å; L370-V375 HydrophobicContact CB-CG2 4.04Å; L370-V375 HydrophobicContact CD1-CG2 4.33Å; L370-T384 HydrophobicContact CD1-CG2 3.85Å; L370-R412 CarbonylContact O-C 3.54Å; L370-R412 WeakPolarHBondContact O-CA 3.46Å; L370-R412 WeakPolarHBondContact O-CB 3.4Å; L370-L413 HydrophobicContact CB-CB 4.33Å; L370-L413 PolarHBondContact N-O 3.4Å; L370-L413 PolarHBondContact O-N 2.93Å; L370-F415 HydrophobicContact CD1-CE2 3.82Å; L370-F415 HydrophobicContact CG-CE2 4.4Å
371	K	90.8	Very high	86.6	Confident	66 Å²	66	45.2 Å²	45.2	29%	0.287	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.6	170.8	-54.9	179.4	169	-174.1	0	109.9	D373 V374 V375	K371-D373 VanDerWaalsContact C-N 3.35Å; K371-D373 WeakPolarHBondContact CB-OD1 3.32Å; K371-D373 PolarHBondContact O-N 2.96Å; K371-V374 HydrophobicContact CB-CB 4.28Å; K371-V374 HydrophobicContact CB-CG2 4Å; K371-V374 HydrophobicContact CD-CG2 3.92Å; K371-V374 HydrophobicContact CG-CG2 4.5Å; K371-V374 PolarHBondContact O-N 2.94Å; K371-V375 WeakPolarHBondContact O-CG2 3.48Å; K371-V375 PolarHBondContact O-N 2.74Å; K371-V375 VanDerWaalsContact O-N 3.08Å
372	K	90.6	Very high	86.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-39.1	-176.4	-74.8	-176.3	171	-172	0	112.8	V375 I376 T409 D411 L413 I648 F653	K372-V375 PolarHBondContact O-N 3.25Å; K372-I376 VanDerWaalsContact O-CG1 3.3Å; K372-I376 WeakPolarHBondContact O-CG1 3.28Å; K372-I376 PolarHBondContact O-N 2.93Å; K372-T409 VanDerWaalsContact CE-O 3.31Å; K372-T409 WeakPolarHBondContact CE-O 3.25Å; K372-T409 PolarHBondContact NZ-O 3.08Å; K372-D411 PolarHBondContact N-O 3.14Å; K372-L413 HydrophobicContact CG-CD2 4.27Å; K372-L413 HydrophobicContact CG-CG 4.07Å; K372-I648 HydrophobicContact CB-CD1 3.87Å; K372-I648 HydrophobicContact CB-CG2 4.16Å; K372-I648 HydrophobicContact CD-CG2 4.18Å; K372-F653 HydrophobicContact CB-CD2 4.44Å; K372-F653 HydrophobicContact CB-CE2 3.68Å; K372-F653 HydrophobicContact CB-CZ 4.07Å; K372-F653 HydrophobicContact CD-CD2 3.6Å; K372-F653 HydrophobicContact CD-CE2 3.72Å; K372-F653 HydrophobicContact CD-CG 4.39Å; K372-F653 HydrophobicContact CG-CD2 3.87Å; K372-F653 HydrophobicContact CG-CE2 3.55Å; K372-F653 HydrophobicContact CG-CZ 3.99Å
373	D	83.1	Confident	87.2	Confident	47 Å²	47	43.4 Å²	43.4	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-44.7	176.9	60.1	-28.2	0	0	0	112.4	K371 I376 Q377 V644 I648	K371-D373 VanDerWaalsContact C-N 3.35Å; K371-D373 WeakPolarHBondContact CB-OD1 3.32Å; K371-D373 PolarHBondContact O-N 2.96Å; D373-I376 PolarHBondContact O-N 3.38Å; D373-Q377 WeakPolarHBondContact O-CB 3.48Å; D373-Q377 PolarHBondContact O-N 3.09Å; D373-V644 HydrophobicContact CB-CG1 3.34Å; D373-I648 HydrophobicContact CB-CD1 4.2Å
374	V	83	Confident	87.6	Confident	30 Å²	30	41.9 Å²	41.9	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-45.1	176.6	179.3	0	0	0	0	110.6	F350 K371 I376 Q377 D378	F350-V374 HydrophobicContact CD1-CG1 4.34Å; K371-V374 HydrophobicContact CB-CB 4.28Å; K371-V374 HydrophobicContact CB-CG2 4Å; K371-V374 HydrophobicContact CD-CG2 3.92Å; K371-V374 HydrophobicContact CG-CG2 4.5Å; K371-V374 PolarHBondContact O-N 2.94Å; V374-I376 VanDerWaalsContact C-N 3.34Å; V374-I376 PolarHBondContact O-N 2.77Å; V374-Q377 PolarHBondContact O-N 3.06Å; V374-D378 WeakPolarHBondContact O-CB 3.37Å; V374-D378 PolarHBondContact O-N 3.12Å
375	V	83.6	Confident	87.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-41	177.9	172.6	0	0	0	0	111.9	L370 K371 K372 D379 D380 V381 T384 F653	L370-V375 HydrophobicContact CB-CG2 4.04Å; L370-V375 HydrophobicContact CD1-CG2 4.33Å; K371-V375 WeakPolarHBondContact O-CG2 3.48Å; K371-V375 PolarHBondContact O-N 2.74Å; K371-V375 VanDerWaalsContact O-N 3.08Å; K372-V375 PolarHBondContact O-N 3.25Å; V375-D379 PolarHBondContact O-N 2.81Å; V375-D380 HydrophobicContact CG1-CB 4.41Å; V375-D380 PolarHBondContact O-N 2.77Å; V375-V381 HydrophobicContact CG1-CG2 4.08Å; V375-T384 WeakPolarHBondContact CG1-OG1 3.37Å; V375-F653 HydrophobicContact CB-CZ 4.39Å; V375-F653 HydrophobicContact CG1-CE1 3.98Å; V375-F653 HydrophobicContact CG1-CZ 4.11Å
376	I	79.6	Confident	87.8	Confident	58 Å²	58	42.1 Å²	42.1	30%	0.297	22%	0.217	S	C	.	.	H	α-helix	trans	-69	-44.6	176.3	-70.2	164.4	0	0	0	110.9	K372 D373 V374 D378 D379 V381 I648 F653	K372-I376 VanDerWaalsContact O-CG1 3.3Å; K372-I376 WeakPolarHBondContact O-CG1 3.28Å; K372-I376 PolarHBondContact O-N 2.93Å; D373-I376 PolarHBondContact O-N 3.38Å; V374-I376 VanDerWaalsContact C-N 3.34Å; V374-I376 PolarHBondContact O-N 2.77Å; I376-D378 PolarHBondContact O-N 3.15Å; I376-D379 PolarHBondContact O-N 3.47Å; I376-D379 VanDerWaalsContact O-N 3.1Å; I376-V381 HydrophobicContact CG1-CG2 3.99Å; I376-I648 HydrophobicContact CD1-CB 4.43Å; I376-I648 HydrophobicContact CD1-CG1 4.33Å; I376-I648 HydrophobicContact CD1-CG2 3.79Å; I376-F653 HydrophobicContact CD1-CE2 3.85Å; I376-F653 HydrophobicContact CD1-CZ 4.22Å; I376-F653 HydrophobicContact CG1-CE2 4.12Å; I376-F653 HydrophobicContact CG1-CZ 3.97Å
377	Q	75.5	Confident	87.9	Confident	156 Å²	156	42 Å²	42	73%	0.729	22%	0.215	S	C	*	.	H	α-helix	trans	-60.6	-36.1	-178.6	179.4	178.6	-16.2	0	0	112.1	D373 V374 D379	D373-Q377 WeakPolarHBondContact O-CB 3.48Å; D373-Q377 PolarHBondContact O-N 3.09Å; V374-Q377 PolarHBondContact O-N 3.06Å; Q377-D379 VanDerWaalsContact C-N 3.33Å
378	D	74.4	Confident	87.9	Confident	74 Å²	74	43.3 Å²	43.3	40%	0.396	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.8	-179.8	-64.5	-19	0	0	0	113	F350 V374 I376 D380	F350-D378 HydrophobicContact CD1-CB 4.36Å; F350-D378 WeakPolarHBondContact CD1-OD2 3.5Å; F350-D378 HydrophobicContact CE1-CB 3.81Å; F350-D378 VanDerWaalsContact CE1-OD2 3.26Å; F350-D378 WeakPolarHBondContact CE1-OD2 3.47Å; V374-D378 WeakPolarHBondContact O-CB 3.37Å; V374-D378 PolarHBondContact O-N 3.12Å; I376-D378 PolarHBondContact O-N 3.15Å; D378-D380 VanDerWaalsContact C-N 3.27Å; D378-D380 PolarHBondContact O-N 2.98Å
379	D	78.2	Confident	88	Confident	144 Å²	144	46.2 Å²	46.2	77%	0.77	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	31.8	-178.6	-159.7	32.1	0	0	0	113.8	V375 I376 Q377	V375-D379 PolarHBondContact O-N 2.81Å; I376-D379 PolarHBondContact O-N 3.47Å; I376-D379 VanDerWaalsContact O-N 3.1Å; Q377-D379 VanDerWaalsContact C-N 3.33Å
380	D	86.1	Confident	88.1	Confident	36 Å²	36	46.2 Å²	46.2	19%	0.193	23%	0.231	C	C	.	.			trans	-105.4	18.2	-171.6	-87	-45.5	0	0	0	114	F350 V375 D378 E382 C383 T384	F350-D380 HydrophobicContact CE1-CB 4.48Å; F350-D380 WeakPolarHBondContact CE1-OD2 3.49Å; F350-D380 WeakPolarHBondContact CZ-OD2 3.48Å; V375-D380 HydrophobicContact CG1-CB 4.41Å; V375-D380 PolarHBondContact O-N 2.77Å; D378-D380 VanDerWaalsContact C-N 3.27Å; D378-D380 PolarHBondContact O-N 2.98Å; D380-E382 PolarHBondContact O-N 2.87Å; D380-C383 HydrophobicContact CB-CB 4.34Å; D380-C383 PolarHBondContact O-N 3.29Å; D380-C383 PolarHBondContact OD1-SG 2.84Å; D380-T384 WeakPolarHBondContact O-CB 3.4Å; D380-T384 PolarHBondContact O-N 2.94Å; D380-T384 PolarHBondContact O-OG1 3.18Å
381	V	89.2	Confident	88.3	Confident	19 Å²	19	46.1 Å²	46.1	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-50	177.6	176.5	0	0	0	0	110.7	V375 I376 T384 M385 D652 F653	V375-V381 HydrophobicContact CG1-CG2 4.08Å; I376-V381 HydrophobicContact CG1-CG2 3.99Å; V381-T384 WeakPolarHBondContact O-CB 3.31Å; V381-T384 PolarHBondContact O-N 2.86Å; V381-M385 WeakPolarHBondContact O-CG 3.21Å; V381-M385 PolarHBondContact O-N 2.97Å; V381-D652 HydrophobicContact CG1-CB 4.07Å; V381-D652 WeakPolarHBondContact CG1-O 3.49Å; V381-F653 HydrophobicContact CG1-CD1 4.43Å; V381-F653 HydrophobicContact CG1-CE1 4.08Å; V381-F653 HydrophobicContact CG2-CE1 4.15Å; V381-F653 HydrophobicContact CG2-CZ 4.09Å
382	E	89.6	Confident	88.5	Confident	127 Å²	127	43.8 Å²	43.8	59%	0.593	22%	0.223	S	C	*	.	H	α-helix	trans	-65	-41.6	179.6	-77.2	-59.7	138.1	0	0	112.3	D380 T384 M385 V386	D380-E382 PolarHBondContact O-N 2.87Å; E382-T384 VanDerWaalsContact C-N 3.26Å; E382-T384 PolarHBondContact O-N 2.91Å; E382-M385 PolarHBondContact O-N 3.22Å; E382-V386 WeakPolarHBondContact O-CB 3.34Å; E382-V386 VanDerWaalsContact O-CG2 3.25Å; E382-V386 WeakPolarHBondContact O-CG2 3.26Å; E382-V386 PolarHBondContact O-N 3.03Å
383	C	89.1	Confident	88.7	Confident	43 Å²	43	45.6 Å²	45.6	29%	0.291	23%	0.233	S	C	.	.	H	α-helix	trans	-56.8	-43	174.6	-62.8	0	0	0	0	111	D380 V386 E387	D380-C383 HydrophobicContact CB-CB 4.34Å; D380-C383 PolarHBondContact O-N 3.29Å; D380-C383 PolarHBondContact OD1-SG 2.84Å; C383-V386 PolarHBondContact O-N 3.32Å; C383-E387 PolarHBondContact O-N 2.82Å
384	T	93	Very high	89.2	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-40.4	177.6	-58	0	0	0	0	112.4	L370 V375 D380 V381 E382 E387 K388 L413 F415 F656	L370-T384 HydrophobicContact CD1-CG2 3.85Å; V375-T384 WeakPolarHBondContact CG1-OG1 3.37Å; D380-T384 WeakPolarHBondContact O-CB 3.4Å; D380-T384 PolarHBondContact O-N 2.94Å; D380-T384 PolarHBondContact O-OG1 3.18Å; V381-T384 WeakPolarHBondContact O-CB 3.31Å; V381-T384 PolarHBondContact O-N 2.86Å; E382-T384 VanDerWaalsContact C-N 3.26Å; E382-T384 PolarHBondContact O-N 2.91Å; T384-E387 PolarHBondContact O-N 2.86Å; T384-K388 PolarHBondContact O-N 3.4Å; T384-K388 VanDerWaalsContact O-N 3.11Å; T384-L413 HydrophobicContact CG2-CD1 3.51Å; T384-F415 HydrophobicContact CG2-CE2 4.21Å; T384-F415 HydrophobicContact CG2-CZ 4.01Å; T384-F656 HydrophobicContact CG2-CE2 4.1Å
385	M	93.8	Very high	89.6	Confident	20 Å²	20	51 Å²	51	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-71.7	-35.3	177.6	-67.1	-59.7	-77.7	0	0	112.2	V381 E382 K388 R389 E654 F656	V381-M385 WeakPolarHBondContact O-CG 3.21Å; V381-M385 PolarHBondContact O-N 2.97Å; E382-M385 PolarHBondContact O-N 3.22Å; M385-K388 PolarHBondContact O-N 2.85Å; M385-R389 WeakPolarHBondContact O-CG 3.03Å; M385-R389 PolarHBondContact O-N 3.36Å; M385-E654 VanDerWaalsContact CE-O 3.28Å; M385-E654 WeakPolarHBondContact CE-O 3.48Å; M385-F656 HydrophobicContact SD-CB 4.34Å; M385-F656 HydrophobicContact SD-CD2 3.86Å
386	V	94.1	Very high	90.1	Very high	15 Å²	15	52.8 Å²	52.8	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-49.8	169.6	169.9	0	0	0	0	110	E382 C383 K388 R389 V390 C485 E487	E382-V386 WeakPolarHBondContact O-CB 3.34Å; E382-V386 VanDerWaalsContact O-CG2 3.25Å; E382-V386 WeakPolarHBondContact O-CG2 3.26Å; E382-V386 PolarHBondContact O-N 3.03Å; C383-V386 PolarHBondContact O-N 3.32Å; V386-K388 PolarHBondContact O-N 2.82Å; V386-R389 PolarHBondContact O-N 2.93Å; V386-V390 HydrophobicContact CG1-CG2 4Å; V386-V390 WeakPolarHBondContact O-CG2 3.41Å; V386-V390 PolarHBondContact O-N 2.78Å; V386-C485 HydrophobicContact CG1-CB 3.91Å; V386-E487 HydrophobicContact CG1-CG 4.09Å
387	E	95.3	Very high	90.9	Very high	5 Å²	5	51 Å²	51	2%	0.023	26%	0.26	C	S	.	.	H	α-helix	trans	-53.3	-45.6	177.8	-178	169.7	-167.3	0	0	111	K368 C383 T384 R389 V390 L391 F415 F482	K368-E387 IonicContact NZ-OE1 3.1Å; K368-E387 PolarHBondContact NZ-OE1 2.96Å; K368-E387 IonicContact NZ-OE2 3.76Å; K368-E387 PolarHBondContact NZ-OE2 3.35Å; C383-E387 PolarHBondContact O-N 2.82Å; T384-E387 PolarHBondContact O-N 2.86Å; E387-R389 PolarHBondContact O-N 3.2Å; E387-V390 PolarHBondContact O-N 3.24Å; E387-L391 HydrophobicContact CG-CD1 3.82Å; E387-L391 HydrophobicContact CG-CG 4.44Å; E387-L391 VanDerWaalsContact O-CB 3.25Å; E387-L391 WeakPolarHBondContact O-CB 2.93Å; E387-L391 WeakPolarHBondContact O-CG 3.35Å; E387-L391 PolarHBondContact O-N 3.49Å; E387-F415 HydrophobicContact CB-CE1 4.48Å; E387-F415 HydrophobicContact CB-CZ 4.44Å; E387-F415 HydrophobicContact CG-CE1 4.11Å; E387-F415 HydrophobicContact CG-CZ 4.29Å; E387-F482 HydrophobicContact CG-CB 4.17Å
388	K	95.5	Very high	91.8	Very high	28 Å²	28	45.3 Å²	45.3	12%	0.122	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-44.9	175.6	-178.9	-101.5	170.2	159.7	0	112.6	T384 M385 V386 A392 C406 F415 G655 F656	T384-K388 PolarHBondContact O-N 3.4Å; T384-K388 VanDerWaalsContact O-N 3.11Å; M385-K388 PolarHBondContact O-N 2.85Å; V386-K388 PolarHBondContact O-N 2.82Å; K388-A392 WeakPolarHBondContact O-CB 3.44Å; K388-A392 PolarHBondContact O-N 2.59Å; K388-C406 HydrophobicContact CG-CB 4.45Å; K388-F415 HydrophobicContact CB-CE1 3.78Å; K388-F415 HydrophobicContact CB-CZ 4.32Å; K388-F415 HydrophobicContact CG-CE1 4.49Å; K388-G655 PolarHBondContact NZ-O 3.26Å; K388-F656 HydrophobicContact CB-CD2 4.48Å; K388-F656 HydrophobicContact CB-CE2 4.26Å; K388-F656 WeakPolarHBondContact CE-O 3.46Å; K388-F656 HydrophobicContact CG-CD2 4.45Å; K388-F656 HydrophobicContact CG-CE2 4.46Å
389	R	96.6	Very high	92.9	Very high	89 Å²	89	41.9 Å²	41.9	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-67.2	-43	-179.9	-72.9	-173	-61.1	-96.1	3.3	112	M385 V386 E387 A392 L393 E487	M385-R389 WeakPolarHBondContact O-CG 3.03Å; M385-R389 PolarHBondContact O-N 3.36Å; V386-R389 PolarHBondContact O-N 2.93Å; E387-R389 PolarHBondContact O-N 3.2Å; R389-A392 CarbonylContact O-C 3.58Å; R389-A392 PolarHBondContact O-N 3.2Å; R389-L393 PolarHBondContact O-N 3.45Å; R389-E487 IonicContact CZ-OE2 3.02Å; R389-E487 VanDerWaalsContact CZ-OE2 3.23Å; R389-E487 IonicContact NE-OE1 3.88Å; R389-E487 IonicContact NE-OE2 3.21Å; R389-E487 PolarHBondContact NE-OE2 2.88Å; R389-E487 IonicContact NH2-OE2 2.83Å; R389-E487 PolarHBondContact NH2-OE2 2.91Å
390	V	96.6	Very high	93.8	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-45.8	178	177.3	0	0	0	0	110.9	V386 E387 A392 L393 L454 I459 F482 C485 E487	V386-V390 HydrophobicContact CG1-CG2 4Å; V386-V390 WeakPolarHBondContact O-CG2 3.41Å; V386-V390 PolarHBondContact O-N 2.78Å; E387-V390 PolarHBondContact O-N 3.24Å; V390-A392 PolarHBondContact O-N 3.31Å; V390-L393 HydrophobicContact CG1-CD1 4.34Å; V390-L393 WeakPolarHBondContact O-CB 3.18Å; V390-L393 WeakPolarHBondContact O-CD1 3.48Å; V390-L393 VanDerWaalsContact O-CG 3.3Å; V390-L393 WeakPolarHBondContact O-CG 3.24Å; V390-L393 PolarHBondContact O-N 3.1Å; V390-L454 HydrophobicContact CG1-CD2 4.03Å; V390-I459 HydrophobicContact CG2-CD1 4.25Å; V390-I459 HydrophobicContact CG2-CG2 4.18Å; V390-F482 HydrophobicContact CB-CB 4.26Å; V390-F482 HydrophobicContact CG1-CB 3.99Å; V390-F482 HydrophobicContact CG1-CD1 3.52Å; V390-F482 HydrophobicContact CG1-CE1 4.24Å; V390-F482 HydrophobicContact CG1-CG 3.88Å; V390-C485 HydrophobicContact CG2-CB 3.95Å; V390-E487 HydrophobicContact CG2-CG 4.29Å
391	L	95.6	Very high	94.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-29.5	175.7	-80.9	172.8	0	0	0	112.9	E387 L393 K396 L403 F415 M417 F482	E387-L391 HydrophobicContact CG-CD1 3.82Å; E387-L391 HydrophobicContact CG-CG 4.44Å; E387-L391 VanDerWaalsContact O-CB 3.25Å; E387-L391 WeakPolarHBondContact O-CB 2.93Å; E387-L391 WeakPolarHBondContact O-CG 3.35Å; E387-L391 PolarHBondContact O-N 3.49Å; L391-L393 VanDerWaalsContact C-N 3.35Å; L391-K396 PolarHBondContact O-NZ 3.37Å; L391-L403 HydrophobicContact CB-CB 4.05Å; L391-L403 HydrophobicContact CB-CD2 3.93Å; L391-L403 HydrophobicContact CB-CG 4.39Å; L391-L403 HydrophobicContact CD1-CD1 4.44Å; L391-L403 WeakPolarHBondContact O-CB 3.26Å; L391-F415 HydrophobicContact CD1-CD1 3.79Å; L391-F415 HydrophobicContact CD1-CE1 4.19Å; L391-M417 HydrophobicContact CD1-SD 4.4Å; L391-F482 HydrophobicContact CD2-CD2 3.43Å; L391-F482 VanDerWaalsContact CD2-CD2 3.43Å; L391-F482 HydrophobicContact CD2-CE2 3.6Å; L391-F482 HydrophobicContact CD2-CG 4.48Å; L391-F482 HydrophobicContact CG-CD2 3.82Å; L391-F482 HydrophobicContact CG-CE2 4.45Å
392	A	95.7	Very high	94.5	Very high	17 Å²	17	34.4 Å²	34.4	14%	0.14	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	2.5	178.5	0	0	0	0	0	114.4	K388 R389 V390 L394 L403 Y658	K388-A392 WeakPolarHBondContact O-CB 3.44Å; K388-A392 PolarHBondContact O-N 2.59Å; R389-A392 CarbonylContact O-C 3.58Å; R389-A392 PolarHBondContact O-N 3.2Å; V390-A392 PolarHBondContact O-N 3.31Å; A392-L394 PolarHBondContact O-N 2.92Å; A392-L403 HydrophobicContact CB-CD2 4.3Å; A392-Y658 HydrophobicContact CB-CD1 3.88Å; A392-Y658 HydrophobicContact CB-CE1 3.55Å; A392-Y658 HydrophobicContact CB-CE2 4.37Å; A392-Y658 HydrophobicContact CB-CG 4.41Å
393	L	95.6	Very high	94.8	Very high	39 Å²	39	28.4 Å²	28.4	20%	0.204	15%	0.149	C	C	.	.			trans	-58.1	139	174	-70.7	170.8	0	0	0	111	R389 V390 L391 K396 F453 I459	R389-L393 PolarHBondContact O-N 3.45Å; V390-L393 HydrophobicContact CG1-CD1 4.34Å; V390-L393 WeakPolarHBondContact O-CB 3.18Å; V390-L393 WeakPolarHBondContact O-CD1 3.48Å; V390-L393 VanDerWaalsContact O-CG 3.3Å; V390-L393 WeakPolarHBondContact O-CG 3.24Å; V390-L393 PolarHBondContact O-N 3.1Å; L391-L393 VanDerWaalsContact C-N 3.35Å; L393-K396 HydrophobicContact CB-CD 4.36Å; L393-K396 HydrophobicContact CB-CG 4.17Å; L393-K396 WeakPolarHBondContact O-CG 3.11Å; L393-F453 HydrophobicContact CB-CE1 4.41Å; L393-F453 HydrophobicContact CB-CZ 4.38Å; L393-F453 HydrophobicContact CD1-CE1 3.98Å; L393-I459 HydrophobicContact CD1-CD1 3.54Å
394	L	92.6	Very high	95.2	Very high	80 Å²	80	27.2 Å²	27.2	42%	0.419	14%	0.139	S	C	.	.	S	Bend	trans	-82.5	157.8	175	-55.8	179.9	0	0	0	111	A392 K396 Q662	A392-L394 PolarHBondContact O-N 2.92Å; L394-K396 PolarHBondContact O-N 3.17Å; L394-Q662 HydrophobicContact CD2-CG 4.35Å
395	D	92.3	Very high	95.3	Very high	111 Å²	111	26.9 Å²	26.9	59%	0.594	14%	0.137	S	C	*	.	S	Bend	trans	57.7	34.1	173.8	-45.2	-39.7	0	0	0	113.7	F453 Q662	D395-F453 WeakPolarHBondContact O-CE2 3.46Å; D395-Q662 PolarHBondContact OD1-NE2 3.27Å
396	K	94.5	Very high	95.4	Very high	37 Å²	37	26.1 Å²	26.1	16%	0.161	13%	0.134	C	C	.	.			trans	-62.7	140.9	176.5	-71.2	-176.3	-63.3	-176.9	0	110.8	L391 L393 L394 L400 T401 F453	L391-K396 PolarHBondContact O-NZ 3.37Å; L393-K396 HydrophobicContact CB-CD 4.36Å; L393-K396 HydrophobicContact CB-CG 4.17Å; L393-K396 WeakPolarHBondContact O-CG 3.11Å; L394-K396 PolarHBondContact O-N 3.17Å; K396-L400 HydrophobicContact CD-CB 4.34Å; K396-L400 HydrophobicContact CD-CD1 4.38Å; K396-L400 HydrophobicContact CG-CD1 4.38Å; K396-T401 PolarHBondContact NZ-O 2.92Å; K396-F453 HydrophobicContact CB-CE1 4.49Å; K396-F453 HydrophobicContact CB-CZ 4.25Å; K396-F453 HydrophobicContact CG-CE1 3.81Å; K396-F453 HydrophobicContact CG-CZ 3.73Å
397	P	95.8	Very high	95.6	Very high	20 Å²	20	26 Å²	26	13%	0.13	13%	0.132	C	C	.	.			trans	-61.7	155.2	169	29.1	-35.8	0	0	0	109.4	F399 L400 I449 F453	P397-F399 HydrophobicContact CB-CD2 4.46Å; P397-F399 PolarHBondContact O-N 2.95Å; P397-L400 HydrophobicContact CG-CD1 4.21Å; P397-L400 HydrophobicContact CG-CG 4.11Å; P397-L400 PolarHBondContact O-N 3.22Å; P397-I449 HydrophobicContact CB-CG2 3.84Å; P397-I449 HydrophobicContact CG-CG2 4.29Å; P397-F453 HydrophobicContact CG-CB 3.88Å; P397-F453 HydrophobicContact CG-CD2 4.3Å; P397-F453 HydrophobicContact CG-CG 4.03Å
398	P	95	Very high	95.5	Very high	37 Å²	37	28.3 Å²	28.3	24%	0.24	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.4	-176.3	23.3	-32.9	0	0	0	113.6	L400 K478 R608	P398-L400 VanDerWaalsContact C-N 3.33Å; P398-L400 PolarHBondContact O-N 3.41Å; P398-K478 WeakPolarHBondContact O-CD 3.38Å; P398-K478 WeakPolarHBondContact O-CE 3.42Å; P398-K478 PolarHBondContact O-NZ 3.07Å; P398-R608 HydrophobicContact CB-CG 4.13Å; P398-R608 HydrophobicContact CG-CG 3.73Å
399	F	97.4	Very high	95.4	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.2	-177.1	-47.6	-55.9	0	0	0	115.1	P397 E446 I449 H476 I477 K478 I479 L605 R608	P397-F399 HydrophobicContact CB-CD2 4.46Å; P397-F399 PolarHBondContact O-N 2.95Å; F399-E446 HydrophobicContact CD1-CB 3.83Å; F399-E446 HydrophobicContact CD1-CG 4Å; F399-E446 HydrophobicContact CD2-CB 4.17Å; F399-E446 HydrophobicContact CE1-CB 3.96Å; F399-E446 HydrophobicContact CE1-CG 3.6Å; F399-E446 WeakPolarHBondContact CE1-OE1 3.36Å; F399-E446 HydrophobicContact CE2-CB 4.27Å; F399-E446 HydrophobicContact CE2-CG 4.18Å; F399-E446 HydrophobicContact CG-CB 3.94Å; F399-E446 HydrophobicContact CG-CG 4.46Å; F399-E446 HydrophobicContact CZ-CB 4.17Å; F399-E446 HydrophobicContact CZ-CG 3.68Å; F399-I449 HydrophobicContact CD2-CB 3.94Å; F399-I449 HydrophobicContact CD2-CD1 4.25Å; F399-I449 HydrophobicContact CD2-CG2 3.78Å; F399-I449 HydrophobicContact CE2-CB 4.24Å; F399-I449 HydrophobicContact CE2-CD1 3.69Å; F399-I449 HydrophobicContact CE2-CG2 4.06Å; F399-H476 HydrophobicContact CE1-CB 4.36Å; F399-I477 VanDerWaalsContact CA-O 3.29Å; F399-I477 WeakPolarHBondContact CA-O 2.9Å; F399-K478 CarbonylContact O-C 3.59Å; F399-K478 WeakPolarHBondContact O-CA 3.46Å; F399-I479 PolarHBondContact O-N 2.85Å; F399-L605 HydrophobicContact CZ-CG 4.47Å; F399-L605 VanDerWaalsContact CZ-O 3.31Å; F399-L605 WeakPolarHBondContact CZ-O 3.46Å; F399-R608 HydrophobicContact CE1-CG 4.35Å; F399-R608 HydrophobicContact CZ-CG 4.4Å
400	L	97.1	Very high	95	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-104.1	140.6	171.1	-60.3	-177.5	0	0	0	109.9	K396 P397 P398 Q402 F453 L454 I479 F482	K396-L400 HydrophobicContact CD-CB 4.34Å; K396-L400 HydrophobicContact CD-CD1 4.38Å; K396-L400 HydrophobicContact CG-CD1 4.38Å; P397-L400 HydrophobicContact CG-CD1 4.21Å; P397-L400 HydrophobicContact CG-CG 4.11Å; P397-L400 PolarHBondContact O-N 3.22Å; P398-L400 VanDerWaalsContact C-N 3.33Å; P398-L400 PolarHBondContact O-N 3.41Å; L400-Q402 PolarHBondContact O-N 3.19Å; L400-F453 HydrophobicContact CD1-CD1 3.6Å; L400-F453 HydrophobicContact CD1-CE1 4.01Å; L400-F453 HydrophobicContact CD1-CG 4.41Å; L400-L454 HydrophobicContact CD1-CD2 4.22Å; L400-L454 HydrophobicContact CD1-CG 4.35Å; L400-I479 HydrophobicContact CD2-CB 3.84Å; L400-I479 HydrophobicContact CD2-CD1 3.89Å; L400-I479 HydrophobicContact CD2-CG1 4.21Å; L400-I479 HydrophobicContact CD2-CG2 4.49Å; L400-F482 HydrophobicContact CB-CZ 4.24Å; L400-F482 HydrophobicContact CD2-CE1 4.19Å; L400-F482 HydrophobicContact CD2-CZ 4.07Å
401	T	95.6	Very high	94.6	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.043	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-58.6	131.5	178.1	-57.5	0	0	0	0	111	K396 M417 E418 I479 A480	K396-T401 PolarHBondContact NZ-O 2.92Å; T401-M417 HydrophobicContact CG2-CB 4.19Å; T401-E418 WeakPolarHBondContact CA-OE1 3.45Å; T401-E418 HydrophobicContact CG2-CG 4.05Å; T401-I479 WeakPolarHBondContact CB-O 3.26Å; T401-I479 PolarHBondContact N-O 3.47Å; T401-I479 PolarHBondContact OG1-O 3.46Å; T401-A480 WeakPolarHBondContact OG1-CA 3.45Å
402	Q	94.6	Very high	94.5	Very high	35 Å²	35	30.2 Å²	30.2	16%	0.164	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-85.1	140.2	179.5	-64.2	-173.3	83.5	0	0	112	L400 M417 E418 F663	L400-Q402 PolarHBondContact O-N 3.19Å; Q402-M417 WeakPolarHBondContact O-CA 3.31Å; Q402-E418 HydrophobicContact CB-CB 4.37Å; Q402-E418 HydrophobicContact CB-CG 4.09Å; Q402-E418 WeakPolarHBondContact CG-OE1 3.25Å; Q402-E418 PolarHBondContact N-OE1 3.47Å; Q402-E418 PolarHBondContact NE2-OE2 2.81Å; Q402-E418 VanDerWaalsContact NE2-OE2 3.12Å; Q402-E418 PolarHBondContact O-N 2.91Å; Q402-F663 HydrophobicContact CB-CD2 3.99Å; Q402-F663 HydrophobicContact CB-CE2 3.86Å
403	L	96.1	Very high	94.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	173.8	-179	71.8	0	0	0	108.2	L391 A392 F415 V416 M417 Y658 N660 F663	L391-L403 HydrophobicContact CB-CB 4.05Å; L391-L403 HydrophobicContact CB-CD2 3.93Å; L391-L403 HydrophobicContact CB-CG 4.39Å; L391-L403 HydrophobicContact CD1-CD1 4.44Å; L391-L403 WeakPolarHBondContact O-CB 3.26Å; A392-L403 HydrophobicContact CB-CD2 4.3Å; L403-F415 HydrophobicContact CD1-CB 4.33Å; L403-F415 HydrophobicContact CD1-CD1 4.38Å; L403-V416 WeakPolarHBondContact CD1-O 2.99Å; L403-M417 HydrophobicContact CD1-CG 4.22Å; L403-Y658 HydrophobicContact CD2-CD1 3.77Å; L403-Y658 HydrophobicContact CD2-CE1 4.02Å; L403-N660 WeakPolarHBondContact O-CB 3.34Å; L403-N660 PolarHBondContact O-ND2 3.35Å; L403-F663 WeakPolarHBondContact O-CD2 3.09Å
404	H	95.5	Very high	94.6	Very high	19 Å²	19	27.7 Å²	27.7	9%	0.088	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-52.4	169.9	170.6	-86.3	0	0	0	110.3	Y365 V416 N660 F663	Y365-H404 HydrophobicContact CD1-CB 4.21Å; Y365-H404 HydrophobicContact CE1-CB 3.82Å; Y365-H404 AromaticContact CE1-CD2 3.81Å; Y365-H404 AromaticContact CE1-CG 3.77Å; H404-V416 HydrophobicContact CB-CB 4.41Å; H404-V416 HydrophobicContact CB-CG1 4.1Å; H404-V416 WeakPolarHBondContact CB-O 3.33Å; H404-V416 PolarHBondContact N-O 2.82Å; H404-N660 WeakPolarHBondContact O-CB 3.43Å; H404-N660 PolarHBondContact O-N 3.3Å; H404-F663 HydrophobicContact CB-CD1 4.19Å; H404-F663 HydrophobicContact CB-CD2 3.94Å; H404-F663 HydrophobicContact CB-CE1 4.21Å; H404-F663 HydrophobicContact CB-CE2 3.95Å; H404-F663 HydrophobicContact CB-CG 4.05Å; H404-F663 HydrophobicContact CB-CZ 4.09Å; H404-F663 AromaticContact CD2-CD1 3.6Å; H404-F663 AromaticContact CD2-CE1 3.9Å
405	S	96.3	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	155.8	-178.1	57.4	0	0	0	0	112	V416 Y658	S405-V416 PolarHBondContact N-O 2.99Å; S405-V416 WeakPolarHBondContact O-CA 3.25Å; S405-V416 VanDerWaalsContact O-CB 3.28Å; S405-V416 WeakPolarHBondContact O-CB 3.41Å; S405-V416 PolarHBondContact O-N 3.39Å; S405-V416 WeakPolarHBondContact OG-CB 3.4Å; S405-V416 WeakPolarHBondContact OG-CG2 3.41Å; S405-Y658 CarbonylContact C-O 3.59Å; S405-Y658 WeakPolarHBondContact CA-O 3.47Å; S405-Y658 VanDerWaalsContact CB-O 3.31Å; S405-Y658 WeakPolarHBondContact CB-O 3.1Å
406	C	96.6	Very high	95	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.02	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.7	164.7	-66.4	0	0	0	0	110.1	K388 Y414 F415 F656 S657 Y658	K388-C406 HydrophobicContact CG-CB 4.45Å; C406-Y414 VanDerWaalsContact CA-O 3.24Å; C406-Y414 WeakPolarHBondContact CA-O 3.4Å; C406-F415 WeakPolarHBondContact SG-CD1 3.45Å; C406-F656 HydrophobicContact CB-CD1 4.08Å; C406-F656 HydrophobicContact CB-CE1 3.66Å; C406-F656 HydrophobicContact CB-CZ 4.08Å; C406-F656 WeakPolarHBondContact CB-O 3.36Å; C406-S657 CarbonylContact O-C 3.55Å; C406-S657 VanDerWaalsContact O-CA 3.27Å; C406-S657 WeakPolarHBondContact O-CA 3.4Å; C406-Y658 PolarHBondContact N-O 2.75Å; C406-Y658 PolarHBondContact O-N 2.93Å
407	F	96.4	Very high	95	Very high	12 Å²	12	17.8 Å²	17.8	5%	0.053	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167	169.8	67.3	-90.9	0	0	0	110.4	V334 L336 F339 Y414 V416 F656	V334-F407 HydrophobicContact CB-CD1 4.47Å; V334-F407 HydrophobicContact CG1-CD1 3.91Å; V334-F407 HydrophobicContact CG1-CE1 4.1Å; V334-F407 WeakPolarHBondContact O-CB 3.41Å; L336-F407 HydrophobicContact CB-CE2 3.93Å; L336-F407 HydrophobicContact CB-CZ 4.3Å; L336-F407 HydrophobicContact CD1-CE2 4.49Å; L336-F407 HydrophobicContact CD1-CZ 4.36Å; F339-F407 HydrophobicContact CD2-CE1 4.36Å; F339-F407 HydrophobicContact CD2-CZ 4.48Å; F339-F407 AromaticContact CE2-CE1 3.85Å; F339-F407 HydrophobicContact CE2-CE1 3.85Å; F339-F407 HydrophobicContact CE2-CZ 4.39Å; F407-Y414 AromaticContact CD2-CD2 3.74Å; F407-Y414 HydrophobicContact CD2-CD2 3.74Å; F407-Y414 HydrophobicContact CD2-CE2 4.47Å; F407-Y414 HydrophobicContact CD2-CG 4.01Å; F407-Y414 HydrophobicContact CE1-CG 4.2Å; F407-Y414 AromaticContact CE2-CD1 3.93Å; F407-Y414 HydrophobicContact CE2-CD1 3.93Å; F407-Y414 AromaticContact CE2-CD2 3.35Å; F407-Y414 HydrophobicContact CE2-CD2 3.35Å; F407-Y414 HydrophobicContact CE2-CE1 4.42Å; F407-Y414 AromaticContact CE2-CE2 3.91Å; F407-Y414 HydrophobicContact CE2-CE2 3.91Å; F407-Y414 AromaticContact CE2-CG 3.37Å; F407-Y414 HydrophobicContact CE2-CG 3.37Å; F407-Y414 AromaticContact CZ-CD1 3.77Å; F407-Y414 HydrophobicContact CZ-CD1 3.77Å; F407-Y414 AromaticContact CZ-CD2 3.99Å; F407-Y414 HydrophobicContact CZ-CD2 3.99Å; F407-Y414 HydrophobicContact CZ-CE1 4.5Å; F407-Y414 AromaticContact CZ-CG 3.49Å; F407-Y414 HydrophobicContact CZ-CG 3.49Å; F407-Y414 VanDerWaalsContact CZ-CG 3.49Å; F407-Y414 PolarHBondContact N-O 3.16Å; F407-Y414 WeakPolarHBondContact O-CB 3.04Å; F407-Y414 PolarHBondContact O-N 2.9Å; F407-V416 HydrophobicContact CD1-CG2 4.1Å; F407-V416 HydrophobicContact CE1-CG2 3.66Å; F407-F656 VanDerWaalsContact O-CE1 3.26Å; F407-F656 WeakPolarHBondContact O-CE1 3.27Å
408	Q	95	Very high	94.8	Very high	54 Å²	54	17.3 Å²	17.3	25%	0.252	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.3	-177.5	58.5	177.8	-45.1	0	0	111.2	R412 L413 F653 F656	Q408-R412 WeakPolarHBondContact CA-O 3.43Å; Q408-L413 HydrophobicContact CB-CD2 3.7Å; Q408-F653 PolarHBondContact NE2-O 3.39Å; Q408-F656 HydrophobicContact CB-CD1 4.07Å
409	T	92.3	Very high	94.7	Very high	41 Å²	41	16.8 Å²	16.8	25%	0.252	9%	0.087	S	C	.	.			trans	-108.6	-176.8	165.5	57.8	0	0	0	0	109.2	K372 D411 R412 Y414	K372-T409 VanDerWaalsContact CE-O 3.31Å; K372-T409 WeakPolarHBondContact CE-O 3.25Å; K372-T409 PolarHBondContact NZ-O 3.08Å; T409-D411 PolarHBondContact O-N 2.89Å; T409-D411 PolarHBondContact OG1-OD1 3Å; T409-R412 PolarHBondContact N-O 2.99Å; T409-R412 WeakPolarHBondContact OG1-CB 3.29Å; T409-R412 PolarHBondContact OG1-N 3.4Å; T409-Y414 HydrophobicContact CG2-CE2 3.75Å
410	V	88.9	Confident	94.3	Very high	83 Å²	83	17.2 Å²	17.2	50%	0.503	9%	0.089	S	C	.	.	S	Bend	trans	-61.8	-25.5	177.4	-64.5	0	0	0	0	113	I645 Q650	V410-I645 HydrophobicContact CB-CG2 3.9Å; V410-I645 HydrophobicContact CG2-CD1 3.74Å; V410-I645 HydrophobicContact CG2-CG1 4.22Å; V410-I645 HydrophobicContact CG2-CG2 4.09Å; V410-Q650 PolarHBondContact O-NE2 2.92Å
411	D	87.8	Confident	93.7	Very high	21 Å²	21	18.6 Å²	18.6	11%	0.112	10%	0.096	C	C	.	.	S	Bend	trans	-119	-14.7	-173	65.1	-39.4	0	0	0	114.4	K372 T409 P640 I645	K372-D411 PolarHBondContact N-O 3.14Å; T409-D411 PolarHBondContact O-N 2.89Å; T409-D411 PolarHBondContact OG1-OD1 3Å; D411-P640 HydrophobicContact CB-CB 4.33Å; D411-I645 HydrophobicContact CB-CD1 4.02Å; D411-I645 HydrophobicContact CB-CG1 3.85Å
412	R	94.1	Very high	93.2	Very high	16 Å²	16	18.2 Å²	18.2	6%	0.06	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.5	-168.1	-68.7	162.2	-171.2	-80.9	1.3	113.8	I369 L370 Q408 T409 Y414 T638	I369-R412 HydrophobicContact CG2-CB 4.37Å; I369-R412 HydrophobicContact CG2-CG 4.38Å; L370-R412 CarbonylContact O-C 3.54Å; L370-R412 WeakPolarHBondContact O-CA 3.46Å; L370-R412 WeakPolarHBondContact O-CB 3.4Å; Q408-R412 WeakPolarHBondContact CA-O 3.43Å; T409-R412 PolarHBondContact N-O 2.99Å; T409-R412 WeakPolarHBondContact OG1-CB 3.29Å; T409-R412 PolarHBondContact OG1-N 3.4Å; R412-Y414 HydrophobicContact CB-CD2 4.33Å; R412-Y414 HydrophobicContact CB-CE2 3.51Å; R412-Y414 VanDerWaalsContact CD-OH 3.24Å; R412-Y414 WeakPolarHBondContact CD-OH 3.31Å; R412-T638 PolarHBondContact NH2-O 3.46Å
413	L	95.5	Very high	92.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.6	171.9	-56.6	175	0	0	0	109.2	I369 L370 K372 T384 Q408 F653 F656	I369-L413 WeakPolarHBondContact CA-O 3.44Å; L370-L413 HydrophobicContact CB-CB 4.33Å; L370-L413 PolarHBondContact N-O 3.4Å; L370-L413 PolarHBondContact O-N 2.93Å; K372-L413 HydrophobicContact CG-CD2 4.27Å; K372-L413 HydrophobicContact CG-CG 4.07Å; T384-L413 HydrophobicContact CG2-CD1 3.51Å; Q408-L413 HydrophobicContact CB-CD2 3.7Å; L413-F653 HydrophobicContact CD1-CD1 3.61Å; L413-F653 HydrophobicContact CD1-CE1 3.6Å; L413-F653 HydrophobicContact CD1-CG 4.42Å; L413-F653 HydrophobicContact CD1-CZ 4.4Å; L413-F653 HydrophobicContact CD2-CB 4.15Å; L413-F653 HydrophobicContact CD2-CD1 4.01Å; L413-F653 HydrophobicContact CD2-CG 4.05Å; L413-F653 HydrophobicContact CG-CD1 4.33Å; L413-F656 HydrophobicContact CB-CE1 3.91Å; L413-F656 HydrophobicContact CB-CE2 4.11Å; L413-F656 HydrophobicContact CB-CZ 3.67Å; L413-F656 HydrophobicContact CD1-CD2 4.32Å; L413-F656 HydrophobicContact CD1-CE2 4.06Å; L413-F656 HydrophobicContact CD1-CZ 4.47Å; L413-F656 HydrophobicContact CD2-CD1 3.9Å; L413-F656 HydrophobicContact CD2-CD2 4.05Å; L413-F656 HydrophobicContact CD2-CE1 4.1Å; L413-F656 HydrophobicContact CD2-CE2 4.25Å; L413-F656 HydrophobicContact CD2-CG 3.89Å; L413-F656 HydrophobicContact CD2-CZ 4.29Å; L413-F656 HydrophobicContact CG-CE2 4.38Å; L413-F656 HydrophobicContact CG-CZ 4.36Å
414	Y	96.6	Very high	92.5	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.1	-176.2	-60.7	-100.4	0	0	0	110.1	L336 I367 K368 I369 C406 F407 T409 R412 L637	L336-Y414 HydrophobicContact CD1-CD1 4.11Å; L336-Y414 HydrophobicContact CD1-CE1 3.44Å; L336-Y414 VanDerWaalsContact CD1-CE1 3.44Å; I367-Y414 HydrophobicContact CG2-CD1 4.02Å; K368-Y414 WeakPolarHBondContact O-CA 2.98Å; I369-Y414 HydrophobicContact CB-CD1 4.38Å; I369-Y414 HydrophobicContact CB-CE1 4.37Å; I369-Y414 HydrophobicContact CD1-CD1 4.14Å; I369-Y414 HydrophobicContact CD1-CE1 3.92Å; I369-Y414 HydrophobicContact CG1-CD1 3.73Å; I369-Y414 HydrophobicContact CG1-CE1 3.9Å; I369-Y414 HydrophobicContact CG2-CD1 4.02Å; I369-Y414 HydrophobicContact CG2-CE1 3.63Å; C406-Y414 VanDerWaalsContact CA-O 3.24Å; C406-Y414 WeakPolarHBondContact CA-O 3.4Å; F407-Y414 AromaticContact CD2-CD2 3.74Å; F407-Y414 HydrophobicContact CD2-CD2 3.74Å; F407-Y414 HydrophobicContact CD2-CE2 4.47Å; F407-Y414 HydrophobicContact CD2-CG 4.01Å; F407-Y414 HydrophobicContact CE1-CG 4.2Å; F407-Y414 AromaticContact CE2-CD1 3.93Å; F407-Y414 HydrophobicContact CE2-CD1 3.93Å; F407-Y414 AromaticContact CE2-CD2 3.35Å; F407-Y414 HydrophobicContact CE2-CD2 3.35Å; F407-Y414 HydrophobicContact CE2-CE1 4.42Å; F407-Y414 AromaticContact CE2-CE2 3.91Å; F407-Y414 HydrophobicContact CE2-CE2 3.91Å; F407-Y414 AromaticContact CE2-CG 3.37Å; F407-Y414 HydrophobicContact CE2-CG 3.37Å; F407-Y414 AromaticContact CZ-CD1 3.77Å; F407-Y414 HydrophobicContact CZ-CD1 3.77Å; F407-Y414 AromaticContact CZ-CD2 3.99Å; F407-Y414 HydrophobicContact CZ-CD2 3.99Å; F407-Y414 HydrophobicContact CZ-CE1 4.5Å; F407-Y414 AromaticContact CZ-CG 3.49Å; F407-Y414 HydrophobicContact CZ-CG 3.49Å; F407-Y414 VanDerWaalsContact CZ-CG 3.49Å; F407-Y414 PolarHBondContact N-O 3.16Å; F407-Y414 WeakPolarHBondContact O-CB 3.04Å; F407-Y414 PolarHBondContact O-N 2.9Å; T409-Y414 HydrophobicContact CG2-CE2 3.75Å; R412-Y414 HydrophobicContact CB-CD2 4.33Å; R412-Y414 HydrophobicContact CB-CE2 3.51Å; R412-Y414 VanDerWaalsContact CD-OH 3.24Å; R412-Y414 WeakPolarHBondContact CD-OH 3.31Å; Y414-L637 HydrophobicContact CE1-CD1 4.28Å
415	F	96.8	Very high	92.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.3	168.1	-61.6	-100.8	0	0	0	108.4	I367 K368 L370 T384 E387 K388 L391 L403 C406 M417 F656	I367-F415 CarbonylContact C-O 3.22Å; I367-F415 VanDerWaalsContact CA-O 3.27Å; I367-F415 WeakPolarHBondContact CA-O 3.32Å; K368-F415 HydrophobicContact CB-CB 4.21Å; K368-F415 PolarHBondContact N-O 3.11Å; K368-F415 PolarHBondContact O-N 3.1Å; L370-F415 HydrophobicContact CD1-CE2 3.82Å; L370-F415 HydrophobicContact CG-CE2 4.4Å; T384-F415 HydrophobicContact CG2-CE2 4.21Å; T384-F415 HydrophobicContact CG2-CZ 4.01Å; E387-F415 HydrophobicContact CB-CE1 4.48Å; E387-F415 HydrophobicContact CB-CZ 4.44Å; E387-F415 HydrophobicContact CG-CE1 4.11Å; E387-F415 HydrophobicContact CG-CZ 4.29Å; K388-F415 HydrophobicContact CB-CE1 3.78Å; K388-F415 HydrophobicContact CB-CZ 4.32Å; K388-F415 HydrophobicContact CG-CE1 4.49Å; L391-F415 HydrophobicContact CD1-CD1 3.79Å; L391-F415 HydrophobicContact CD1-CE1 4.19Å; L403-F415 HydrophobicContact CD1-CB 4.33Å; L403-F415 HydrophobicContact CD1-CD1 4.38Å; C406-F415 WeakPolarHBondContact SG-CD1 3.45Å; F415-M417 HydrophobicContact CB-CG 4.31Å; F415-M417 HydrophobicContact CB-SD 4.48Å; F415-F656 HydrophobicContact CD1-CZ 4.33Å; F415-F656 AromaticContact CD2-CZ 3.98Å; F415-F656 HydrophobicContact CD2-CZ 3.98Å; F415-F656 HydrophobicContact CE1-CE2 4.01Å; F415-F656 AromaticContact CE1-CZ 3.95Å; F415-F656 HydrophobicContact CE1-CZ 3.95Å; F415-F656 AromaticContact CE2-CE2 3.84Å; F415-F656 HydrophobicContact CE2-CE2 3.84Å; F415-F656 AromaticContact CE2-CZ 3.55Å; F415-F656 HydrophobicContact CE2-CZ 3.55Å; F415-F656 HydrophobicContact CG-CZ 4.35Å; F415-F656 AromaticContact CZ-CE2 3.47Å; F415-F656 HydrophobicContact CZ-CE2 3.47Å; F415-F656 VanDerWaalsContact CZ-CE2 3.47Å; F415-F656 AromaticContact CZ-CZ 3.55Å; F415-F656 HydrophobicContact CZ-CZ 3.55Å
416	V	96.6	Very high	91.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108	176	-173.2	0	0	0	0	107.9	F339 Y365 I367 L403 H404 S405 F407	F339-V416 HydrophobicContact CE1-CG1 3.95Å; F339-V416 HydrophobicContact CE2-CG2 4.08Å; F339-V416 HydrophobicContact CZ-CB 4.48Å; F339-V416 HydrophobicContact CZ-CG1 3.8Å; F339-V416 HydrophobicContact CZ-CG2 3.87Å; Y365-V416 HydrophobicContact CD1-CG1 3.64Å; Y365-V416 HydrophobicContact CE1-CG1 4.32Å; Y365-V416 HydrophobicContact CG-CG1 3.76Å; I367-V416 HydrophobicContact CD1-CG2 4.42Å; I367-V416 HydrophobicContact CG1-CG1 4.37Å; I367-V416 HydrophobicContact CG1-CG2 4.44Å; L403-V416 WeakPolarHBondContact CD1-O 2.99Å; H404-V416 HydrophobicContact CB-CB 4.41Å; H404-V416 HydrophobicContact CB-CG1 4.1Å; H404-V416 WeakPolarHBondContact CB-O 3.33Å; H404-V416 PolarHBondContact N-O 2.82Å; S405-V416 PolarHBondContact N-O 2.99Å; S405-V416 WeakPolarHBondContact O-CA 3.25Å; S405-V416 VanDerWaalsContact O-CB 3.28Å; S405-V416 WeakPolarHBondContact O-CB 3.41Å; S405-V416 PolarHBondContact O-N 3.39Å; S405-V416 WeakPolarHBondContact OG-CB 3.4Å; S405-V416 WeakPolarHBondContact OG-CG2 3.41Å; F407-V416 HydrophobicContact CD1-CG2 4.1Å; F407-V416 HydrophobicContact CE1-CG2 3.66Å
417	M	94.9	Very high	91.3	Very high	21 Å²	21	21.3 Å²	21.3	10%	0.103	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.2	-174.3	-55.5	175.2	-64.1	0	0	110.8	Y365 A366 K368 L391 T401 Q402 L403 F415	Y365-M417 WeakPolarHBondContact CA-O 3.25Å; A366-M417 HydrophobicContact CB-CE 4.49Å; A366-M417 PolarHBondContact N-O 3.07Å; A366-M417 WeakPolarHBondContact O-CB 3.3Å; A366-M417 PolarHBondContact O-N 3.48Å; K368-M417 HydrophobicContact CB-CE 3.66Å; L391-M417 HydrophobicContact CD1-SD 4.4Å; T401-M417 HydrophobicContact CG2-CB 4.19Å; Q402-M417 WeakPolarHBondContact O-CA 3.31Å; L403-M417 HydrophobicContact CD1-CG 4.22Å; F415-M417 HydrophobicContact CB-CG 4.31Å; F415-M417 HydrophobicContact CB-SD 4.48Å
418	E	92.1	Very high	90.8	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.047	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	141.8	169.6	67.7	-176.7	151.8	0	0	110.9	T401 Q402 V420 K478 F663	T401-E418 WeakPolarHBondContact CA-OE1 3.45Å; T401-E418 HydrophobicContact CG2-CG 4.05Å; Q402-E418 HydrophobicContact CB-CB 4.37Å; Q402-E418 HydrophobicContact CB-CG 4.09Å; Q402-E418 WeakPolarHBondContact CG-OE1 3.25Å; Q402-E418 PolarHBondContact N-OE1 3.47Å; Q402-E418 PolarHBondContact NE2-OE2 2.81Å; Q402-E418 VanDerWaalsContact NE2-OE2 3.12Å; Q402-E418 PolarHBondContact O-N 2.91Å; E418-V420 HydrophobicContact CG-CG2 4.02Å; E418-V420 PolarHBondContact O-N 2.93Å; E418-K478 IonicContact OE1-NZ 3.66Å; E418-K478 PolarHBondContact OE1-NZ 3.41Å; E418-K478 IonicContact OE2-NZ 2.98Å; E418-K478 PolarHBondContact OE2-NZ 2.81Å; E418-F663 HydrophobicContact CB-CE2 4.09Å; E418-F663 HydrophobicContact CB-CZ 4.23Å
419	Y	91.6	Very high	90.4	Very high	26 Å²	26	19.4 Å²	19.4	10%	0.102	10%	0.099	C	C	.	.			trans	-83.5	113.9	174.9	176.9	-129.5	0	0	0	110.7	L345 L355 L364 A366 N421 F626	L345-Y419 HydrophobicContact CD1-CD2 3.96Å; L345-Y419 HydrophobicContact CD1-CE2 3.71Å; L345-Y419 HydrophobicContact CD2-CE2 4.17Å; L355-Y419 HydrophobicContact CD1-CD1 3.76Å; L355-Y419 HydrophobicContact CD1-CD2 3.6Å; L355-Y419 HydrophobicContact CD1-CE1 3.89Å; L355-Y419 HydrophobicContact CD1-CE2 3.76Å; L355-Y419 HydrophobicContact CD1-CG 3.6Å; L355-Y419 HydrophobicContact CD2-CE1 4.42Å; L364-Y419 HydrophobicContact CB-CD1 4.05Å; L364-Y419 HydrophobicContact CB-CG 4.47Å; L364-Y419 HydrophobicContact CD1-CD1 4.11Å; L364-Y419 HydrophobicContact CD1-CE1 4.34Å; A366-Y419 HydrophobicContact CB-CD2 4.45Å; Y419-N421 HydrophobicContact CD1-CB 4.14Å; Y419-N421 HydrophobicContact CE1-CB 3.54Å; Y419-N421 HydrophobicContact CE2-CB 4.43Å; Y419-F626 AromaticContact CE2-CE2 3.64Å; Y419-F626 HydrophobicContact CE2-CE2 3.64Å; Y419-F626 AromaticContact CE2-CZ 3.67Å; Y419-F626 HydrophobicContact CE2-CZ 3.67Å; Y419-F626 AromaticContact CZ-CE2 3.85Å; Y419-F626 VanDerWaalsContact OH-CE2 3.28Å; Y419-F626 WeakPolarHBondContact OH-CE2 3.2Å
420	V	90.5	Very high	89.9	Confident	9 Å²	9	22 Å²	22	6%	0.055	11%	0.108	C	C	.	.			trans	-100.5	107.8	179	-176.5	0	0	0	0	109.3	E418 M470 L471 K478 F626	E418-V420 HydrophobicContact CG-CG2 4.02Å; E418-V420 PolarHBondContact O-N 2.93Å; V420-M470 HydrophobicContact CB-CE 4.38Å; V420-M470 HydrophobicContact CB-SD 4.27Å; V420-M470 HydrophobicContact CG1-CB 3.67Å; V420-M470 HydrophobicContact CG1-CE 4.43Å; V420-M470 HydrophobicContact CG1-SD 4.37Å; V420-L471 WeakPolarHBondContact CG1-O 3.43Å; V420-K478 HydrophobicContact CG1-CB 4Å; V420-K478 HydrophobicContact CG1-CG 3.97Å; V420-K478 HydrophobicContact CG2-CB 4.1Å; V420-K478 HydrophobicContact CG2-CG 3.97Å; V420-F626 WeakPolarHBondContact O-CZ 3.44Å
421	N	83.8	Confident	89.5	Confident	30 Å²	30	24.1 Å²	24.1	16%	0.16	11%	0.113	C	C	.	.			trans	-105.3	1.3	-165.4	68.7	-12.6	0	0	0	115.8	Y419 G423 S473 N625	Y419-N421 HydrophobicContact CD1-CB 4.14Å; Y419-N421 HydrophobicContact CE1-CB 3.54Å; Y419-N421 HydrophobicContact CE2-CB 4.43Å; N421-G423 VanDerWaalsContact C-N 3.28Å; N421-G423 PolarHBondContact O-N 3.23Å; N421-S473 WeakPolarHBondContact OD1-CB 3.18Å; N421-S473 PolarHBondContact OD1-N 3.14Å; N421-N625 PolarHBondContact O-ND2 2.99Å
422	G	84.9	Confident	89.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-79	-8.1	-179.1	0	0	0	0	0	114.2	H428 L471	G422-H428 PolarHBondContact O-CE1 3.28Å; G422-H428 VanDerWaalsContact O-CE1 3.26Å; G422-H428 PolarHBondContact O-NE2 2.79Å; G422-L471 CarbonylContact C-O 3.6Å; G422-L471 WeakPolarHBondContact CA-O 3.43Å; G422-L471 PolarHBondContact N-O 2.67Å
423	G	87.6	Confident	89.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.			trans	83.1	161.3	-175	0	0	0	0	0	112.7	N421 L471	N421-G423 VanDerWaalsContact C-N 3.28Å; N421-G423 PolarHBondContact O-N 3.23Å; G423-L471 PolarHBondContact O-N 2.79Å
424	D	89.3	Confident	88.9	Confident	39 Å²	39	33.3 Å²	33.3	21%	0.209	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-77.6	159.1	176.6	58.4	74.5	0	0	0	113.1	M426 Y427 H428 V469 M470	D424-M426 PolarHBondContact O-N 2.65Å; D424-M426 WeakPolarHBondContact OD1-CA 3.29Å; D424-M426 VanDerWaalsContact OD1-CB 3.24Å; D424-M426 WeakPolarHBondContact OD1-CB 3.45Å; D424-M426 PolarHBondContact OD1-N 3.05Å; D424-Y427 WeakPolarHBondContact O-CB 3.31Å; D424-Y427 PolarHBondContact O-N 3.26Å; D424-Y427 PolarHBondContact OD1-N 3.42Å; D424-H428 PolarHBondContact O-CD2 3.2Å; D424-H428 PolarHBondContact O-N 3.04Å; D424-V469 CarbonylContact C-O 3.44Å; D424-V469 WeakPolarHBondContact CA-O 3.32Å; D424-M470 HydrophobicContact CB-CG 4.25Å
425	L	91.1	Very high	88.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-27.4	-180	-70.9	-171.9	0	0	0	112.2	H428 I429 F435 Y443 I447 L466 V469 L471 I477 M531	L425-H428 PolarHBondContact O-N 3.36Å; L425-I429 WeakPolarHBondContact O-CB 3.47Å; L425-I429 WeakPolarHBondContact O-CG1 3.46Å; L425-I429 PolarHBondContact O-N 2.93Å; L425-F435 HydrophobicContact CD2-CE2 4.14Å; L425-F435 HydrophobicContact CD2-CZ 4.23Å; L425-Y443 HydrophobicContact CD2-CD2 4Å; L425-Y443 HydrophobicContact CD2-CE2 3.95Å; L425-I447 HydrophobicContact CD1-CD1 4.41Å; L425-L466 HydrophobicContact CB-CB 4.5Å; L425-L466 HydrophobicContact CB-CD2 3.8Å; L425-L466 HydrophobicContact CD1-CD2 4.36Å; L425-L466 PolarHBondContact N-O 3.04Å; L425-V469 HydrophobicContact CD1-CB 3.99Å; L425-V469 HydrophobicContact CD1-CG1 3.53Å; L425-V469 HydrophobicContact CG-CB 4.21Å; L425-V469 HydrophobicContact CG-CG1 3.92Å; L425-V469 WeakPolarHBondContact CG-O 3.49Å; L425-V469 PolarHBondContact N-O 3.49Å; L425-L471 HydrophobicContact CD2-CD1 4.33Å; L425-L471 HydrophobicContact CD2-CD2 3.86Å; L425-L471 HydrophobicContact CD2-CG 4Å; L425-I477 HydrophobicContact CD1-CD1 3.87Å; L425-I477 HydrophobicContact CD2-CD1 4.12Å; L425-I477 HydrophobicContact CG-CD1 4.22Å; L425-M531 HydrophobicContact CD1-SD 4.11Å
426	M	88.2	Confident	88.8	Confident	13 Å²	13	41.5 Å²	41.5	6%	0.064	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-51.3	175.4	172.4	56.9	77.1	0	0	110.1	L125 D424 H428 I429 Q430 L466	L125-M426 HydrophobicContact CB-CE 3.76Å; L125-M426 HydrophobicContact CD1-CE 3.63Å; L125-M426 HydrophobicContact CD2-CE 3.79Å; L125-M426 HydrophobicContact CG-CE 3.87Å; D424-M426 PolarHBondContact O-N 2.65Å; D424-M426 WeakPolarHBondContact OD1-CA 3.29Å; D424-M426 VanDerWaalsContact OD1-CB 3.24Å; D424-M426 WeakPolarHBondContact OD1-CB 3.45Å; D424-M426 PolarHBondContact OD1-N 3.05Å; M426-H428 VanDerWaalsContact C-N 3.3Å; M426-H428 PolarHBondContact O-N 3.47Å; M426-I429 PolarHBondContact O-N 3.22Å; M426-Q430 WeakPolarHBondContact O-CG 3.39Å; M426-Q430 PolarHBondContact O-N 2.74Å; M426-Q430 HydrophobicContact SD-CG 4.1Å; M426-L466 HydrophobicContact CB-CB 3.81Å; M426-L466 HydrophobicContact CE-CB 4.15Å; M426-L466 HydrophobicContact CE-CD1 3.8Å; M426-L466 HydrophobicContact SD-CD1 4.42Å
427	Y	83.8	Confident	88.8	Confident	69 Å²	69	44.3 Å²	44.3	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-54	-45.9	174.8	171.4	-102.6	0	0	0	111.9	D424 Q430 Q431 N625	D424-Y427 WeakPolarHBondContact O-CB 3.31Å; D424-Y427 PolarHBondContact O-N 3.26Å; D424-Y427 PolarHBondContact OD1-N 3.42Å; Y427-Q430 PolarHBondContact O-N 2.86Å; Y427-Q431 WeakPolarHBondContact O-CG 3.39Å; Y427-Q431 PolarHBondContact O-N 3.08Å; Y427-N625 HydrophobicContact CE1-CB 4.4Å
428	H	86.1	Confident	88.8	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-41.6	179.9	-71.1	-64.5	0	0	0	112.9	G422 D424 L425 M426 Q430 Q431 V432 F435 F614	G422-H428 PolarHBondContact O-CE1 3.28Å; G422-H428 VanDerWaalsContact O-CE1 3.26Å; G422-H428 PolarHBondContact O-NE2 2.79Å; D424-H428 PolarHBondContact O-CD2 3.2Å; D424-H428 PolarHBondContact O-N 3.04Å; L425-H428 PolarHBondContact O-N 3.36Å; M426-H428 VanDerWaalsContact C-N 3.3Å; M426-H428 PolarHBondContact O-N 3.47Å; H428-Q430 VanDerWaalsContact C-N 3.31Å; H428-Q430 PolarHBondContact O-N 2.93Å; H428-Q431 PolarHBondContact O-N 3.4Å; H428-V432 WeakPolarHBondContact O-CG2 3.44Å; H428-V432 PolarHBondContact O-N 3.49Å; H428-F435 HydrophobicContact CB-CE1 4Å; H428-F435 HydrophobicContact CB-CZ 3.85Å; H428-F614 AromaticContact CE1-CE1 3.45Å; H428-F614 VanDerWaalsContact CE1-CE1 3.45Å; H428-F614 WeakPolarHBondContact CE1-CE1 3.22Å; H428-F614 AromaticContact CE1-CZ 3.83Å; H428-F614 AromaticContact ND1-CE1 3.53Å; H428-F614 AromaticContact ND1-CZ 3.79Å
429	I	86.1	Confident	89	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-41.3	174.7	-77	-175	0	0	0	110.7	L425 M426 Q431 V432 G433 F435 L466 M531	L425-I429 WeakPolarHBondContact O-CB 3.47Å; L425-I429 WeakPolarHBondContact O-CG1 3.46Å; L425-I429 PolarHBondContact O-N 2.93Å; M426-I429 PolarHBondContact O-N 3.22Å; I429-Q431 PolarHBondContact O-N 2.94Å; I429-V432 PolarHBondContact O-N 3.34Å; I429-G433 CarbonylContact O-C 3.5Å; I429-G433 VanDerWaalsContact O-CA 3.25Å; I429-G433 WeakPolarHBondContact O-CA 3.38Å; I429-G433 PolarHBondContact O-N 3.16Å; I429-F435 HydrophobicContact CB-CZ 4.44Å; I429-F435 HydrophobicContact CD1-CD2 4.27Å; I429-F435 HydrophobicContact CD1-CE2 3.87Å; I429-F435 HydrophobicContact CD1-CZ 4.21Å; I429-F435 HydrophobicContact CG1-CD1 4.32Å; I429-F435 HydrophobicContact CG1-CD2 4.08Å; I429-F435 HydrophobicContact CG1-CE1 3.78Å; I429-F435 HydrophobicContact CG1-CE2 3.51Å; I429-F435 HydrophobicContact CG1-CG 4.45Å; I429-F435 HydrophobicContact CG1-CZ 3.34Å; I429-L466 HydrophobicContact CD1-CD1 3.73Å; I429-L466 HydrophobicContact CD1-CD2 3.7Å; I429-L466 HydrophobicContact CD1-CG 4.39Å; I429-M531 HydrophobicContact CD1-CG 4.16Å
430	Q	80.8	Confident	89.3	Confident	96 Å²	96	47.4 Å²	47.4	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-32	178	-71.6	174.1	1.9	0	0	113	M426 Y427 H428	M426-Q430 WeakPolarHBondContact O-CG 3.39Å; M426-Q430 PolarHBondContact O-N 2.74Å; M426-Q430 HydrophobicContact SD-CG 4.1Å; Y427-Q430 PolarHBondContact O-N 2.86Å; H428-Q430 VanDerWaalsContact C-N 3.31Å; H428-Q430 PolarHBondContact O-N 2.93Å
431	Q	80.9	Confident	89.7	Confident	127 Å²	127	47.7 Å²	47.7	59%	0.593	25%	0.245	S	C	*	.	H	α-helix	trans	-75.4	-37.7	178.2	-62.4	-61.6	-30.3	0	0	113	Y427 H428 I429	Y427-Q431 WeakPolarHBondContact O-CG 3.39Å; Y427-Q431 PolarHBondContact O-N 3.08Å; H428-Q431 PolarHBondContact O-N 3.4Å; I429-Q431 PolarHBondContact O-N 2.94Å
432	V	87.4	Confident	90.4	Very high	90 Å²	90	46.7 Å²	46.7	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-108.1	-6.5	-171.6	-54.7	0	0	0	0	114.1	H428 I429 K434 F435	H428-V432 WeakPolarHBondContact O-CG2 3.44Å; H428-V432 PolarHBondContact O-N 3.49Å; I429-V432 PolarHBondContact O-N 3.34Å; V432-K434 PolarHBondContact O-N 2.76Å; V432-F435 HydrophobicContact CG2-CD1 3.74Å; V432-F435 HydrophobicContact CG2-CE1 3.82Å
433	G	86.9	Confident	91	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	24%	0.24	S	C	.	.	S	Bend	trans	77.1	-49.4	-175.2	0	0	0	0	0	113.7	I429 G534	I429-G433 CarbonylContact O-C 3.5Å; I429-G433 VanDerWaalsContact O-CA 3.25Å; I429-G433 WeakPolarHBondContact O-CA 3.38Å; I429-G433 PolarHBondContact O-N 3.16Å; G433-G534 WeakPolarHBondContact O-CA 3.27Å
434	K	91.8	Very high	91.6	Very high	96 Å²	96	46.7 Å²	46.7	42%	0.417	24%	0.24	S	C	.	.	S	Bend	trans	-156.4	154.8	175	64.5	-175.1	179.8	-179	0	111.6	V432	V432-K434 PolarHBondContact O-N 2.76Å
435	F	94.4	Very high	92	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.035	23%	0.23	C	C	.	.			trans	-81.1	150.5	175.6	-60.4	-34.6	0	0	0	111.9	L425 H428 I429 V432 Q439 A440 Y443 M531	L425-F435 HydrophobicContact CD2-CE2 4.14Å; L425-F435 HydrophobicContact CD2-CZ 4.23Å; H428-F435 HydrophobicContact CB-CE1 4Å; H428-F435 HydrophobicContact CB-CZ 3.85Å; I429-F435 HydrophobicContact CB-CZ 4.44Å; I429-F435 HydrophobicContact CD1-CD2 4.27Å; I429-F435 HydrophobicContact CD1-CE2 3.87Å; I429-F435 HydrophobicContact CD1-CZ 4.21Å; I429-F435 HydrophobicContact CG1-CD1 4.32Å; I429-F435 HydrophobicContact CG1-CD2 4.08Å; I429-F435 HydrophobicContact CG1-CE1 3.78Å; I429-F435 HydrophobicContact CG1-CE2 3.51Å; I429-F435 HydrophobicContact CG1-CG 4.45Å; I429-F435 HydrophobicContact CG1-CZ 3.34Å; V432-F435 HydrophobicContact CG2-CD1 3.74Å; V432-F435 HydrophobicContact CG2-CE1 3.82Å; F435-Q439 HydrophobicContact CB-CB 4.33Å; F435-Q439 HydrophobicContact CB-CG 4.11Å; F435-Q439 HydrophobicContact CD1-CG 4.46Å; F435-Q439 HydrophobicContact CG-CG 4.17Å; F435-A440 HydrophobicContact CB-CB 4.45Å; F435-Y443 HydrophobicContact CD2-CD2 4.1Å; F435-Y443 HydrophobicContact CD2-CE2 4.22Å; F435-Y443 HydrophobicContact CE2-CD2 4.01Å; F435-Y443 AromaticContact CE2-CE2 4Å; F435-Y443 HydrophobicContact CE2-CE2 4Å; F435-Y443 HydrophobicContact CZ-CE2 4.29Å; F435-M531 WeakPolarHBondContact CB-O 3.5Å; F435-M531 HydrophobicContact CD2-CB 3.86Å; F435-M531 HydrophobicContact CD2-CG 3.74Å; F435-M531 HydrophobicContact CD2-SD 3.95Å; F435-M531 HydrophobicContact CE2-CG 4.01Å; F435-M531 HydrophobicContact CE2-SD 4.14Å; F435-M531 PolarHBondContact N-O 3.03Å
436	K	95.3	Very high	92.4	Very high	166 Å²	166	44.9 Å²	44.9	72%	0.722	23%	0.23	S	C	*	.			trans	-70.9	148.4	168.4	-64.8	180	-177.8	174.5	0	108.7	Q439 A440	K436-Q439 WeakPolarHBondContact O-CA 3.46Å; K436-Q439 WeakPolarHBondContact O-CB 3.35Å; K436-Q439 PolarHBondContact O-N 3.15Å; K436-A440 PolarHBondContact O-N 3.42Å
437	E	96.6	Very high	92.9	Very high	59 Å²	59	44.2 Å²	44.2	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-51.8	-45.2	-176.8	-174	171.6	137.9	0	0	114.2	Q439 A440 V441 L532 S562 F596	E437-Q439 PolarHBondContact O-N 3.28Å; E437-A440 PolarHBondContact O-N 3.38Å; E437-V441 HydrophobicContact CG-CG2 4.21Å; E437-V441 WeakPolarHBondContact O-CG2 3.45Å; E437-V441 PolarHBondContact O-N 2.89Å; E437-L532 HydrophobicContact CB-CD2 4.17Å; E437-L532 HydrophobicContact CG-CD2 4.12Å; E437-S562 WeakPolarHBondContact OE1-CB 3.13Å; E437-S562 PolarHBondContact OE1-OG 2.96Å; E437-S562 WeakPolarHBondContact OE2-CB 3.46Å; E437-S562 PolarHBondContact OE2-OG 3.05Å; E437-F596 HydrophobicContact CG-CE2 4Å
438	P	95.7	Very high	93.6	Very high	91 Å²	91	41 Å²	41	59%	0.591	21%	0.214	S	C	*	.	H	α-helix	trans	-60.1	-33	176.4	-24.4	35.4	0	0	0	114.1	F442	P438-F442 PolarHBondContact O-N 3.49Å
439	Q	96.5	Very high	94.2	Very high	32 Å²	32	40.6 Å²	40.6	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-72.1	-44.7	176.5	176.5	177.4	16	0	0	111	F435 K436 E437 V441 F442 Y443 P613	F435-Q439 HydrophobicContact CB-CB 4.33Å; F435-Q439 HydrophobicContact CB-CG 4.11Å; F435-Q439 HydrophobicContact CD1-CG 4.46Å; F435-Q439 HydrophobicContact CG-CG 4.17Å; K436-Q439 WeakPolarHBondContact O-CA 3.46Å; K436-Q439 WeakPolarHBondContact O-CB 3.35Å; K436-Q439 PolarHBondContact O-N 3.15Å; E437-Q439 PolarHBondContact O-N 3.28Å; Q439-V441 VanDerWaalsContact C-N 3.34Å; Q439-V441 PolarHBondContact O-N 2.91Å; Q439-F442 PolarHBondContact O-N 3.45Å; Q439-Y443 HydrophobicContact CG-CD2 3.99Å; Q439-Y443 HydrophobicContact CG-CE2 3.46Å; Q439-Y443 VanDerWaalsContact CG-CE2 3.46Å; Q439-Y443 PolarHBondContact NE2-OH 2.95Å; Q439-Y443 PolarHBondContact O-N 2.77Å; Q439-Y443 VanDerWaalsContact O-N 3.09Å; Q439-P613 HydrophobicContact CB-CB 4.12Å; Q439-P613 HydrophobicContact CB-CG 4.05Å; Q439-P613 HydrophobicContact CG-CB 4.26Å; Q439-P613 HydrophobicContact CG-CG 3.8Å
440	A	97.9	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-39.7	175.2	0	0	0	0	0	112.2	F435 K436 E437 A444 L528 M531 L532	F435-A440 HydrophobicContact CB-CB 4.45Å; K436-A440 PolarHBondContact O-N 3.42Å; E437-A440 PolarHBondContact O-N 3.38Å; A440-A444 WeakPolarHBondContact O-CB 3.46Å; A440-A444 PolarHBondContact O-N 3.31Å; A440-L528 HydrophobicContact CB-CD1 4.42Å; A440-M531 HydrophobicContact CB-CB 4.03Å; A440-M531 HydrophobicContact CB-CE 4.4Å; A440-L532 HydrophobicContact CB-CD2 3.66Å; A440-L532 HydrophobicContact CB-CG 4.07Å
441	V	98.4	Very high	95.6	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.085	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-45.9	175.2	173.1	0	0	0	0	110.9	E437 Q439 A445 F596 F597 I600	E437-V441 HydrophobicContact CG-CG2 4.21Å; E437-V441 WeakPolarHBondContact O-CG2 3.45Å; E437-V441 PolarHBondContact O-N 2.89Å; Q439-V441 VanDerWaalsContact C-N 3.34Å; Q439-V441 PolarHBondContact O-N 2.91Å; V441-A445 WeakPolarHBondContact O-CB 3.39Å; V441-A445 PolarHBondContact O-N 2.93Å; V441-F596 HydrophobicContact CB-CE1 4.14Å; V441-F596 HydrophobicContact CB-CZ 4.28Å; V441-F596 HydrophobicContact CG2-CD1 4.01Å; V441-F596 HydrophobicContact CG2-CD2 4.15Å; V441-F596 HydrophobicContact CG2-CE1 3.5Å; V441-F596 HydrophobicContact CG2-CE2 3.64Å; V441-F596 HydrophobicContact CG2-CG 4.32Å; V441-F596 HydrophobicContact CG2-CZ 3.29Å; V441-F597 HydrophobicContact CG1-CD1 3.96Å; V441-F597 HydrophobicContact CG1-CE1 4.45Å; V441-I600 HydrophobicContact CG1-CD1 3.98Å; V441-I600 HydrophobicContact CG1-CG1 3.78Å
442	F	98.4	Very high	96.4	Very high	10 Å²	10	29.8 Å²	29.8	4%	0.044	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-53.8	179.6	-179.6	-89.5	0	0	0	111.4	P438 Q439 A444 A445 E446 H476 L605 I610 P612 P613	P438-F442 PolarHBondContact O-N 3.49Å; Q439-F442 PolarHBondContact O-N 3.45Å; F442-A444 PolarHBondContact O-N 3.49Å; F442-A445 PolarHBondContact O-N 2.87Å; F442-E446 VanDerWaalsContact CE1-CD 3.42Å; F442-E446 HydrophobicContact CE1-CG 4.3Å; F442-E446 WeakPolarHBondContact CE1-OE1 3.22Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.42Å; F442-E446 HydrophobicContact CZ-CG 4.49Å; F442-E446 WeakPolarHBondContact CZ-OE1 3.17Å; F442-E446 PolarHBondContact O-N 2.79Å; F442-E446 VanDerWaalsContact O-N 3.15Å; F442-H476 AromaticContact CZ-ND1 3.86Å; F442-L605 HydrophobicContact CD2-CD1 4.1Å; F442-L605 HydrophobicContact CE2-CD1 3.63Å; F442-L605 HydrophobicContact CZ-CD1 4.12Å; F442-I610 HydrophobicContact CD2-CG2 4.1Å; F442-I610 HydrophobicContact CE2-CB 4.1Å; F442-I610 HydrophobicContact CE2-CG2 3.73Å; F442-P612 HydrophobicContact CE1-CB 4.04Å; F442-P612 HydrophobicContact CE1-CG 4.27Å; F442-P612 HydrophobicContact CZ-CB 4.09Å; F442-P612 HydrophobicContact CZ-CG 3.97Å; F442-P613 HydrophobicContact CB-CG 4.17Å; F442-P613 HydrophobicContact CD1-CG 3.96Å; F442-P613 HydrophobicContact CG-CG 4.14Å
443	Y	98.6	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-41.6	179.6	-62.3	-29.7	0	0	0	112.5	L425 F435 Q439 A445 E446 I447 L471 I477 M531 P613	L425-Y443 HydrophobicContact CD2-CD2 4Å; L425-Y443 HydrophobicContact CD2-CE2 3.95Å; F435-Y443 HydrophobicContact CD2-CD2 4.1Å; F435-Y443 HydrophobicContact CD2-CE2 4.22Å; F435-Y443 HydrophobicContact CE2-CD2 4.01Å; F435-Y443 AromaticContact CE2-CE2 4Å; F435-Y443 HydrophobicContact CE2-CE2 4Å; F435-Y443 HydrophobicContact CZ-CE2 4.29Å; Q439-Y443 HydrophobicContact CG-CD2 3.99Å; Q439-Y443 HydrophobicContact CG-CE2 3.46Å; Q439-Y443 VanDerWaalsContact CG-CE2 3.46Å; Q439-Y443 PolarHBondContact NE2-OH 2.95Å; Q439-Y443 PolarHBondContact O-N 2.77Å; Q439-Y443 VanDerWaalsContact O-N 3.09Å; Y443-A445 VanDerWaalsContact C-N 3.3Å; Y443-A445 PolarHBondContact O-N 3.42Å; Y443-E446 PolarHBondContact O-N 2.92Å; Y443-I447 WeakPolarHBondContact O-CB 3.43Å; Y443-I447 WeakPolarHBondContact O-CD1 3.41Å; Y443-I447 WeakPolarHBondContact O-CG1 3.4Å; Y443-I447 PolarHBondContact O-N 2.93Å; Y443-L471 HydrophobicContact CD1-CD2 4.3Å; Y443-L471 HydrophobicContact CE1-CD2 3.78Å; Y443-I477 HydrophobicContact CD1-CD1 3.79Å; Y443-I477 HydrophobicContact CD1-CG1 3.84Å; Y443-I477 HydrophobicContact CG-CD1 3.89Å; Y443-I477 HydrophobicContact CG-CG1 4.26Å; Y443-M531 HydrophobicContact CD2-SD 4.28Å; Y443-P613 HydrophobicContact CE1-CG 4.13Å
444	A	98.7	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-43	176.9	0	0	0	0	0	111.4	A440 F442 E446 I447 S448 Y524 L528 M531 F597	A440-A444 WeakPolarHBondContact O-CB 3.46Å; A440-A444 PolarHBondContact O-N 3.31Å; F442-A444 PolarHBondContact O-N 3.49Å; A444-E446 PolarHBondContact O-N 3.14Å; A444-I447 PolarHBondContact O-N 3Å; A444-S448 WeakPolarHBondContact O-CB 3.5Å; A444-S448 PolarHBondContact O-N 2.87Å; A444-S448 PolarHBondContact O-OG 2.85Å; A444-Y524 HydrophobicContact CB-CE2 4.26Å; A444-Y524 WeakPolarHBondContact CB-OH 3.37Å; A444-Y524 WeakPolarHBondContact O-CE2 3.46Å; A444-Y524 PolarHBondContact O-OH 2.87Å; A444-L528 HydrophobicContact CB-CD1 3.94Å; A444-M531 HydrophobicContact CB-CE 4Å; A444-F597 HydrophobicContact CB-CE1 4.07Å; A444-F597 HydrophobicContact CB-CZ 4.27Å
445	A	98.7	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-46.5	177	0	0	0	0	0	112	V441 F442 Y443 I447 S448 I449 F597 I600 W602 L605	V441-A445 WeakPolarHBondContact O-CB 3.39Å; V441-A445 PolarHBondContact O-N 2.93Å; F442-A445 PolarHBondContact O-N 2.87Å; Y443-A445 VanDerWaalsContact C-N 3.3Å; Y443-A445 PolarHBondContact O-N 3.42Å; A445-I447 PolarHBondContact O-N 3.28Å; A445-S448 PolarHBondContact O-N 3.4Å; A445-S448 PolarHBondContact O-OG 2.63Å; A445-I449 WeakPolarHBondContact O-CG1 3.1Å; A445-I449 PolarHBondContact O-N 3.1Å; A445-I449 VanDerWaalsContact O-N 3.15Å; A445-F597 HydrophobicContact CB-CD1 4.05Å; A445-F597 HydrophobicContact CB-CE1 4.04Å; A445-I600 HydrophobicContact CB-CG1 4.19Å; A445-I600 HydrophobicContact CB-CG2 4.15Å; A445-W602 HydrophobicContact CB-CH2 3.86Å; A445-W602 HydrophobicContact CB-CZ3 3.88Å; A445-L605 HydrophobicContact CB-CD2 3.32Å
446	E	98.6	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-41.8	176.9	-65.1	-169.7	150	0	0	113	F399 F442 Y443 A444 S448 I449 G450 H476 I477 L605	F399-E446 HydrophobicContact CD1-CB 3.83Å; F399-E446 HydrophobicContact CD1-CG 4Å; F399-E446 HydrophobicContact CD2-CB 4.17Å; F399-E446 HydrophobicContact CE1-CB 3.96Å; F399-E446 HydrophobicContact CE1-CG 3.6Å; F399-E446 WeakPolarHBondContact CE1-OE1 3.36Å; F399-E446 HydrophobicContact CE2-CB 4.27Å; F399-E446 HydrophobicContact CE2-CG 4.18Å; F399-E446 HydrophobicContact CG-CB 3.94Å; F399-E446 HydrophobicContact CG-CG 4.46Å; F399-E446 HydrophobicContact CZ-CB 4.17Å; F399-E446 HydrophobicContact CZ-CG 3.68Å; F442-E446 VanDerWaalsContact CE1-CD 3.42Å; F442-E446 HydrophobicContact CE1-CG 4.3Å; F442-E446 WeakPolarHBondContact CE1-OE1 3.22Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.42Å; F442-E446 HydrophobicContact CZ-CG 4.49Å; F442-E446 WeakPolarHBondContact CZ-OE1 3.17Å; F442-E446 PolarHBondContact O-N 2.79Å; F442-E446 VanDerWaalsContact O-N 3.15Å; Y443-E446 PolarHBondContact O-N 2.92Å; A444-E446 PolarHBondContact O-N 3.14Å; E446-S448 VanDerWaalsContact C-N 3.32Å; E446-S448 PolarHBondContact O-N 3.48Å; E446-I449 PolarHBondContact O-N 3.46Å; E446-G450 PolarHBondContact O-N 3.37Å; E446-H476 IonicContact OE1-CE1 3.93Å; E446-H476 IonicContact OE1-CG 2.7Å; E446-H476 IonicContact OE1-ND1 3.65Å; E446-H476 PolarHBondContact OE1-ND1 3.42Å; E446-I477 HydrophobicContact CB-CB 3.83Å; E446-I477 HydrophobicContact CB-CG1 3.9Å; E446-I477 WeakPolarHBondContact OE2-CB 3.39Å; E446-I477 WeakPolarHBondContact OE2-CG1 3.25Å; E446-I477 PolarHBondContact OE2-N 3.39Å; E446-L605 HydrophobicContact CG-CD1 3.81Å; E446-L605 HydrophobicContact CG-CD2 4.06Å; E446-L605 HydrophobicContact CG-CG 4.05Å
447	I	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.2	-44.3	175	-66	163.4	0	0	0	110.2	L425 Y443 A444 A445 I449 G450 L451 L464 V469 I477 I479 Y524 L527	L425-I447 HydrophobicContact CD1-CD1 4.41Å; Y443-I447 WeakPolarHBondContact O-CB 3.43Å; Y443-I447 WeakPolarHBondContact O-CD1 3.41Å; Y443-I447 WeakPolarHBondContact O-CG1 3.4Å; Y443-I447 PolarHBondContact O-N 2.93Å; A444-I447 PolarHBondContact O-N 3Å; A445-I447 PolarHBondContact O-N 3.28Å; I447-I449 VanDerWaalsContact C-N 3.32Å; I447-I449 PolarHBondContact O-N 3.34Å; I447-G450 PolarHBondContact O-N 2.78Å; I447-G450 VanDerWaalsContact O-N 3.12Å; I447-L451 HydrophobicContact CG2-CD1 4.45Å; I447-L451 PolarHBondContact O-N 3.42Å; I447-L451 VanDerWaalsContact O-N 3.07Å; I447-L464 HydrophobicContact CG2-CD1 3.99Å; I447-L464 HydrophobicContact CG2-CD2 4.19Å; I447-V469 HydrophobicContact CD1-CG1 3.9Å; I447-V469 HydrophobicContact CD1-CG2 4.42Å; I447-V469 HydrophobicContact CG1-CG1 3.96Å; I447-I477 HydrophobicContact CD1-CD1 4.47Å; I447-I477 HydrophobicContact CG1-CD1 4.38Å; I447-I477 HydrophobicContact CG1-CG1 4.34Å; I447-I477 HydrophobicContact CG1-CG2 3.82Å; I447-I479 HydrophobicContact CG2-CD1 4.18Å; I447-Y524 HydrophobicContact CB-CE2 4.15Å; I447-Y524 HydrophobicContact CG2-CD2 3.86Å; I447-Y524 HydrophobicContact CG2-CE2 3.94Å; I447-L527 HydrophobicContact CD1-CD2 3.72Å
448	S	98.6	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-34.8	-178.6	71.6	0	0	0	0	113	A444 A445 E446 G450 L451 F452 W602	A444-S448 WeakPolarHBondContact O-CB 3.5Å; A444-S448 PolarHBondContact O-N 2.87Å; A444-S448 PolarHBondContact O-OG 2.85Å; A445-S448 PolarHBondContact O-N 3.4Å; A445-S448 PolarHBondContact O-OG 2.63Å; E446-S448 VanDerWaalsContact C-N 3.32Å; E446-S448 PolarHBondContact O-N 3.48Å; S448-G450 VanDerWaalsContact C-N 3.32Å; S448-G450 PolarHBondContact O-N 3.44Å; S448-L451 PolarHBondContact O-N 2.86Å; S448-F452 WeakPolarHBondContact O-CD2 3.44Å; S448-F452 WeakPolarHBondContact O-CG 3.15Å; S448-F452 PolarHBondContact O-N 3.42Å; S448-W602 WeakPolarHBondContact OG-CH2 3.25Å; S448-W602 VanDerWaalsContact OG-CZ3 3.27Å; S448-W602 WeakPolarHBondContact OG-CZ3 3.28Å
449	I	98.7	Very high	98.1	Very high	6 Å²	6	18 Å²	18	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-43.3	173	-69.3	161.3	0	0	0	110.7	P397 F399 A445 E446 I447 L451 F452 F453 W602 L605 E606	P397-I449 HydrophobicContact CB-CG2 3.84Å; P397-I449 HydrophobicContact CG-CG2 4.29Å; F399-I449 HydrophobicContact CD2-CB 3.94Å; F399-I449 HydrophobicContact CD2-CD1 4.25Å; F399-I449 HydrophobicContact CD2-CG2 3.78Å; F399-I449 HydrophobicContact CE2-CB 4.24Å; F399-I449 HydrophobicContact CE2-CD1 3.69Å; F399-I449 HydrophobicContact CE2-CG2 4.06Å; A445-I449 WeakPolarHBondContact O-CG1 3.1Å; A445-I449 PolarHBondContact O-N 3.1Å; A445-I449 VanDerWaalsContact O-N 3.15Å; E446-I449 PolarHBondContact O-N 3.46Å; I447-I449 VanDerWaalsContact C-N 3.32Å; I447-I449 PolarHBondContact O-N 3.34Å; I449-L451 PolarHBondContact O-N 3.32Å; I449-F452 PolarHBondContact O-N 3.27Å; I449-F453 PolarHBondContact O-N 3.14Å; I449-F453 VanDerWaalsContact O-N 3.08Å; I449-W602 HydrophobicContact CD1-CE3 4.1Å; I449-W602 HydrophobicContact CD1-CZ3 4.31Å; I449-W602 HydrophobicContact CG1-CE3 4.04Å; I449-W602 HydrophobicContact CG1-CZ3 4.03Å; I449-L605 HydrophobicContact CD1-CB 4.35Å; I449-L605 HydrophobicContact CD1-CD2 3.78Å; I449-L605 HydrophobicContact CD1-CG 3.99Å; I449-E606 HydrophobicContact CD1-CG 3.53Å; I449-E606 HydrophobicContact CG1-CG 3.91Å; I449-E606 HydrophobicContact CG2-CG 3.89Å
450	G	98.3	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.1	-44.8	173.7	0	0	0	0	0	112.5	E446 I447 S448 F453 L454	E446-G450 PolarHBondContact O-N 3.37Å; I447-G450 PolarHBondContact O-N 2.78Å; I447-G450 VanDerWaalsContact O-N 3.12Å; S448-G450 VanDerWaalsContact C-N 3.32Å; S448-G450 PolarHBondContact O-N 3.44Å; G450-F453 PolarHBondContact O-N 3.45Å; G450-L454 WeakPolarHBondContact O-CG 3.23Å; G450-L454 PolarHBondContact O-N 2.82Å
451	L	98.5	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.5	-43.5	177.7	-64.6	179.2	0	0	0	112.7	I447 S448 I449 F453 L454 H455 L464 D520 W521 Y524	I447-L451 HydrophobicContact CG2-CD1 4.45Å; I447-L451 PolarHBondContact O-N 3.42Å; I447-L451 VanDerWaalsContact O-N 3.07Å; S448-L451 PolarHBondContact O-N 2.86Å; I449-L451 PolarHBondContact O-N 3.32Å; L451-F453 VanDerWaalsContact C-N 3.27Å; L451-F453 PolarHBondContact O-N 2.76Å; L451-L454 PolarHBondContact O-N 2.88Å; L451-H455 WeakPolarHBondContact O-CB 3.4Å; L451-H455 PolarHBondContact O-CD2 2.76Å; L451-H455 VanDerWaalsContact O-CG 3.29Å; L451-H455 PolarHBondContact O-N 3.43Å; L451-L464 HydrophobicContact CD1-CD2 4.09Å; L451-D520 HydrophobicContact CD2-CB 4.42Å; L451-W521 HydrophobicContact CB-CH2 4.35Å; L451-W521 HydrophobicContact CD1-CH2 4.44Å; L451-W521 HydrophobicContact CD1-CZ3 4.22Å; L451-Y524 HydrophobicContact CD1-CD2 4.1Å; L451-Y524 HydrophobicContact CD1-CG 4.29Å
452	F	98.2	Very high	98.1	Very high	9 Å²	9	17 Å²	17	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-56.7	-44.2	176	-62.3	-37.8	0	0	0	111.1	S448 I449 L454 H455 K456 W521 E588 V591 R592 W602	S448-F452 WeakPolarHBondContact O-CD2 3.44Å; S448-F452 WeakPolarHBondContact O-CG 3.15Å; S448-F452 PolarHBondContact O-N 3.42Å; I449-F452 PolarHBondContact O-N 3.27Å; F452-L454 PolarHBondContact O-N 3.11Å; F452-H455 PolarHBondContact O-N 3.04Å; F452-K456 WeakPolarHBondContact O-CB 3.4Å; F452-K456 PolarHBondContact O-N 2.99Å; F452-W521 AromaticContact CD1-CH2 3.74Å; F452-W521 HydrophobicContact CD1-CH2 3.74Å; F452-W521 AromaticContact CD1-CZ2 3.74Å; F452-W521 HydrophobicContact CD1-CZ2 3.74Å; F452-W521 AromaticContact CE1-CH2 3.19Å; F452-W521 HydrophobicContact CE1-CH2 3.19Å; F452-W521 AromaticContact CE1-CZ2 3.44Å; F452-W521 HydrophobicContact CE1-CZ2 3.44Å; F452-W521 VanDerWaalsContact CE1-CZ2 3.44Å; F452-W521 HydrophobicContact CE1-CZ3 4.37Å; F452-W521 AromaticContact CZ-CH2 3.9Å; F452-W521 HydrophobicContact CZ-CH2 3.9Å; F452-E588 HydrophobicContact CD1-CB 3.87Å; F452-E588 HydrophobicContact CD1-CG 3.63Å; F452-E588 HydrophobicContact CD2-CG 3.99Å; F452-E588 HydrophobicContact CE1-CB 3.84Å; F452-E588 HydrophobicContact CE1-CG 3.69Å; F452-E588 HydrophobicContact CE2-CG 4.08Å; F452-E588 HydrophobicContact CG-CB 4.5Å; F452-E588 HydrophobicContact CG-CG 3.8Å; F452-E588 HydrophobicContact CZ-CB 4.46Å; F452-E588 HydrophobicContact CZ-CG 3.94Å; F452-V591 HydrophobicContact CE1-CB 4.3Å; F452-V591 HydrophobicContact CE1-CG1 4.44Å; F452-V591 HydrophobicContact CZ-CB 3.95Å; F452-V591 HydrophobicContact CZ-CG1 3.82Å; F452-R592 HydrophobicContact CE2-CG 3.87Å; F452-R592 HydrophobicContact CZ-CG 4.11Å; F452-W602 HydrophobicContact CE2-CZ3 4.3Å
453	F	98.3	Very high	98	Very high	20 Å²	20	17 Å²	17	9%	0.088	7%	0.072	C	C	.	.	H	α-helix	trans	-59	-45.7	177.3	174.2	-89.6	0	0	0	112.8	L393 D395 K396 P397 L400 I449 G450 L451 R457	L393-F453 HydrophobicContact CB-CE1 4.41Å; L393-F453 HydrophobicContact CB-CZ 4.38Å; L393-F453 HydrophobicContact CD1-CE1 3.98Å; D395-F453 WeakPolarHBondContact O-CE2 3.46Å; K396-F453 HydrophobicContact CB-CE1 4.49Å; K396-F453 HydrophobicContact CB-CZ 4.25Å; K396-F453 HydrophobicContact CG-CE1 3.81Å; K396-F453 HydrophobicContact CG-CZ 3.73Å; P397-F453 HydrophobicContact CG-CB 3.88Å; P397-F453 HydrophobicContact CG-CD2 4.3Å; P397-F453 HydrophobicContact CG-CG 4.03Å; L400-F453 HydrophobicContact CD1-CD1 3.6Å; L400-F453 HydrophobicContact CD1-CE1 4.01Å; L400-F453 HydrophobicContact CD1-CG 4.41Å; I449-F453 PolarHBondContact O-N 3.14Å; I449-F453 VanDerWaalsContact O-N 3.08Å; G450-F453 PolarHBondContact O-N 3.45Å; L451-F453 VanDerWaalsContact C-N 3.27Å; L451-F453 PolarHBondContact O-N 2.76Å; F453-R457 VanDerWaalsContact CE2-NH2 3.25Å
454	L	98.3	Very high	97.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-66.8	-49.7	179.2	-67	174.4	0	0	0	111	V390 L400 G450 L451 F452 K456 R457 G458 I459 Y461 F482	V390-L454 HydrophobicContact CG1-CD2 4.03Å; L400-L454 HydrophobicContact CD1-CD2 4.22Å; L400-L454 HydrophobicContact CD1-CG 4.35Å; G450-L454 WeakPolarHBondContact O-CG 3.23Å; G450-L454 PolarHBondContact O-N 2.82Å; L451-L454 PolarHBondContact O-N 2.88Å; F452-L454 PolarHBondContact O-N 3.11Å; L454-K456 VanDerWaalsContact C-N 3.33Å; L454-K456 PolarHBondContact O-N 3.21Å; L454-R457 CarbonylContact O-C 3.53Å; L454-R457 WeakPolarHBondContact O-CA 3.27Å; L454-R457 PolarHBondContact O-N 3.37Å; L454-G458 PolarHBondContact O-N 2.78Å; L454-I459 CarbonylContact C-O 3.55Å; L454-I459 VanDerWaalsContact C-O 3.22Å; L454-I459 HydrophobicContact CB-CB 4.26Å; L454-I459 HydrophobicContact CB-CG2 4.48Å; L454-I459 HydrophobicContact CD2-CB 4.49Å; L454-I459 HydrophobicContact CD2-CG2 4.24Å; L454-I459 WeakPolarHBondContact O-CB 3.04Å; L454-I459 PolarHBondContact O-N 2.79Å; L454-Y461 HydrophobicContact CD1-CD2 4.1Å; L454-Y461 HydrophobicContact CD1-CG 4.37Å; L454-F482 HydrophobicContact CD1-CE1 4.3Å
455	H	97.6	Very high	97.7	Very high	25 Å²	25	18.7 Å²	18.7	12%	0.116	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-40.1	-178.3	-68.8	-179	0	0	0	111.9	L451 F452 R457 G458 I459 K517 D520 W521	L451-H455 WeakPolarHBondContact O-CB 3.4Å; L451-H455 PolarHBondContact O-CD2 2.76Å; L451-H455 VanDerWaalsContact O-CG 3.29Å; L451-H455 PolarHBondContact O-N 3.43Å; F452-H455 PolarHBondContact O-N 3.04Å; H455-R457 PolarHBondContact O-N 2.95Å; H455-R457 VanDerWaalsContact O-N 3.17Å; H455-G458 PolarHBondContact O-N 3.22Å; H455-I459 PolarHBondContact CD2-O 3.5Å; H455-I459 VanDerWaalsContact CD2-O 3.29Å; H455-I459 PolarHBondContact N-O 3.33Å; H455-K517 HydrophobicContact CB-CD 4.43Å; H455-D520 IonicContact CD2-OD2 2.68Å; H455-D520 IonicContact CE1-OD2 2.69Å; H455-D520 IonicContact NE2-OD2 3.86Å; H455-D520 PolarHBondContact NE2-OD2 2.7Å; H455-W521 AromaticContact CE1-CE2 3.93Å; H455-W521 AromaticContact CE1-NE1 3.62Å; H455-W521 AromaticContact ND1-CE2 3.98Å; H455-W521 AromaticContact ND1-NE1 3.6Å
456	K	96.4	Very high	97.3	Very high	165 Å²	165	18.8 Å²	18.8	72%	0.717	8%	0.08	S	C	*	.	H	α-helix	trans	-61.3	-22.7	176	-174.1	172.9	-177.1	174.9	0	113.2	F452 L454	F452-K456 WeakPolarHBondContact O-CB 3.4Å; F452-K456 PolarHBondContact O-N 2.99Å; L454-K456 VanDerWaalsContact C-N 3.33Å; L454-K456 PolarHBondContact O-N 3.21Å
457	R	97.5	Very high	96.9	Very high	90 Å²	90	22 Å²	22	34%	0.34	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9.1	175.8	-72.3	171.7	169.9	70.1	-3.8	112.9	F453 L454 H455 I459	F453-R457 VanDerWaalsContact CE2-NH2 3.25Å; L454-R457 CarbonylContact O-C 3.53Å; L454-R457 WeakPolarHBondContact O-CA 3.27Å; L454-R457 PolarHBondContact O-N 3.37Å; H455-R457 PolarHBondContact O-N 2.95Å; H455-R457 VanDerWaalsContact O-N 3.17Å; R457-I459 HydrophobicContact CB-CD1 4.11Å; R457-I459 HydrophobicContact CB-CG1 4.46Å
458	G	97.4	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	38.8	-178	0	0	0	0	0	112.1	L454 H455 E487 H488 M489	L454-G458 PolarHBondContact O-N 2.78Å; H455-G458 PolarHBondContact O-N 3.22Å; G458-E487 CarbonylContact O-C 3.48Å; G458-H488 PolarHBondContact O-N 3.25Å; G458-M489 PolarHBondContact O-N 2.91Å
459	I	98.5	Very high	96.6	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	10%	0.101	C	C	.	.			trans	-120.8	129.5	177.3	-58.9	164.6	0	0	0	108.2	V390 L393 L454 H455 R457 C485 K486 E487	V390-I459 HydrophobicContact CG2-CD1 4.25Å; V390-I459 HydrophobicContact CG2-CG2 4.18Å; L393-I459 HydrophobicContact CD1-CD1 3.54Å; L454-I459 CarbonylContact C-O 3.55Å; L454-I459 VanDerWaalsContact C-O 3.22Å; L454-I459 HydrophobicContact CB-CB 4.26Å; L454-I459 HydrophobicContact CB-CG2 4.48Å; L454-I459 HydrophobicContact CD2-CB 4.49Å; L454-I459 HydrophobicContact CD2-CG2 4.24Å; L454-I459 WeakPolarHBondContact O-CB 3.04Å; L454-I459 PolarHBondContact O-N 2.79Å; H455-I459 PolarHBondContact CD2-O 3.5Å; H455-I459 VanDerWaalsContact CD2-O 3.29Å; H455-I459 PolarHBondContact N-O 3.33Å; R457-I459 HydrophobicContact CB-CD1 4.11Å; R457-I459 HydrophobicContact CB-CG1 4.46Å; I459-C485 HydrophobicContact CG2-CB 4.07Å; I459-K486 WeakPolarHBondContact CA-O 3.48Å; I459-E487 HydrophobicContact CG1-CG 4.18Å
460	I	98.1	Very high	96.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-107.5	141.5	169.3	62.8	176.8	0	0	0	109.5	R462 C485 K486 M489 T495 Y515 K517 D520	I460-R462 HydrophobicContact CB-CG 4.33Å; I460-R462 HydrophobicContact CD1-CG 3.84Å; I460-R462 HydrophobicContact CG1-CG 3.79Å; I460-C485 CarbonylContact O-C 3.43Å; I460-C485 VanDerWaalsContact O-CA 3.26Å; I460-C485 WeakPolarHBondContact O-CA 3.23Å; I460-K486 HydrophobicContact CD1-CB 4.15Å; I460-K486 HydrophobicContact CG1-CB 3.72Å; I460-K486 PolarHBondContact N-O 3.35Å; I460-K486 PolarHBondContact O-N 2.94Å; I460-M489 HydrophobicContact CD1-CE 3.86Å; I460-M489 HydrophobicContact CD1-CG 4.05Å; I460-M489 HydrophobicContact CG1-CB 4.44Å; I460-M489 HydrophobicContact CG1-CG 3.95Å; I460-M489 HydrophobicContact CG2-CB 3.95Å; I460-M489 HydrophobicContact CG2-CG 4.37Å; I460-T495 HydrophobicContact CD1-CG2 4.11Å; I460-Y515 HydrophobicContact CD1-CD2 4.28Å; I460-Y515 HydrophobicContact CD1-CE2 3.92Å; I460-K517 HydrophobicContact CG2-CB 3.88Å; I460-D520 WeakPolarHBondContact CA-OD2 3.23Å
461	Y	98.1	Very high	96.1	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	11%	0.106	C	C	.	.			trans	-87.6	-44.1	-167.9	-179.1	-109.5	0	0	0	113.1	L454 D463 L464 N468 I479 A480 D481 F482 M484 D520	L454-Y461 HydrophobicContact CD1-CD2 4.1Å; L454-Y461 HydrophobicContact CD1-CG 4.37Å; Y461-D463 VanDerWaalsContact CE1-O 3.31Å; Y461-D463 WeakPolarHBondContact CE1-O 3.5Å; Y461-D463 PolarHBondContact O-N 2.83Å; Y461-D463 VanDerWaalsContact O-N 3.07Å; Y461-L464 HydrophobicContact CD1-CB 3.9Å; Y461-L464 HydrophobicContact CD1-CD1 4.48Å; Y461-L464 HydrophobicContact CE1-CB 4.02Å; Y461-L464 HydrophobicContact CE1-CD1 4.21Å; Y461-N468 WeakPolarHBondContact OH-CB 3.46Å; Y461-I479 HydrophobicContact CE1-CG2 4.11Å; Y461-I479 HydrophobicContact CE2-CG2 3.84Å; Y461-A480 PolarHBondContact OH-O 3.41Å; Y461-D481 WeakPolarHBondContact CE2-O 3.27Å; Y461-D481 PolarHBondContact OH-O 3.44Å; Y461-F482 AromaticContact CD2-CD1 3.85Å; Y461-F482 HydrophobicContact CD2-CD1 3.85Å; Y461-F482 HydrophobicContact CD2-CE1 4.13Å; Y461-F482 AromaticContact CE2-CD1 3.7Å; Y461-F482 HydrophobicContact CE2-CD1 3.7Å; Y461-F482 AromaticContact CE2-CE1 3.91Å; Y461-F482 HydrophobicContact CE2-CE1 3.91Å; Y461-F482 HydrophobicContact CE2-CG 4.32Å; Y461-M484 CarbonylContact O-C 3.55Å; Y461-D520 PolarHBondContact N-OD1 3.37Å; Y461-D520 PolarHBondContact N-OD2 3.23Å
462	R	96.7	Very high	95.6	Very high	24 Å²	24	24.5 Å²	24.5	9%	0.091	11%	0.11	C	C	.	.			trans	63.7	-1.7	170.9	-53.7	-172.4	-64.8	171.7	2.7	118.4	I460 M484 C485 C499 G500 Y515 V519 D520	I460-R462 HydrophobicContact CB-CG 4.33Å; I460-R462 HydrophobicContact CD1-CG 3.84Å; I460-R462 HydrophobicContact CG1-CG 3.79Å; R462-M484 PolarHBondContact NE-O 3.47Å; R462-M484 PolarHBondContact NH2-O 3.22Å; R462-C485 PolarHBondContact NH2-O 3.32Å; R462-C499 PolarHBondContact NH1-SG 3.24Å; R462-G500 WeakPolarHBondContact O-CA 3.5Å; R462-Y515 PolarHBondContact NH1-OH 3.42Å; R462-V519 HydrophobicContact CG-CG2 4.16Å; R462-D520 WeakPolarHBondContact CA-OD1 3.37Å; R462-D520 PolarHBondContact N-OD1 3Å
463	D	95	Very high	95	Very high	11 Å²	11	25.9 Å²	25.9	6%	0.059	12%	0.121	C	C	.	.			trans	-134.4	41.9	175.8	-163.6	36	0	0	0	112.3	Y461 K465 N468 M484 T501	Y461-D463 VanDerWaalsContact CE1-O 3.31Å; Y461-D463 WeakPolarHBondContact CE1-O 3.5Å; Y461-D463 PolarHBondContact O-N 2.83Å; Y461-D463 VanDerWaalsContact O-N 3.07Å; D463-K465 PolarHBondContact O-N 2.95Å; D463-K465 IonicContact OD1-NZ 3.77Å; D463-K465 PolarHBondContact OD1-NZ 3.34Å; D463-K465 IonicContact OD2-NZ 2.76Å; D463-K465 PolarHBondContact OD2-NZ 3.3Å; D463-N468 PolarHBondContact O-ND2 3.12Å; D463-N468 PolarHBondContact OD2-ND2 3.23Å; D463-M484 HydrophobicContact CB-CB 3.79Å; D463-M484 HydrophobicContact CB-CG 3.9Å; D463-T501 PolarHBondContact OD1-OG1 3.01Å
464	L	97.3	Very high	94.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.135	C	C	.	.			trans	-73.5	117.2	174.6	-171.4	67.5	0	0	0	110.3	I447 L451 Y461 V469 Y504 A523 Y524 L527	I447-L464 HydrophobicContact CG2-CD1 3.99Å; I447-L464 HydrophobicContact CG2-CD2 4.19Å; L451-L464 HydrophobicContact CD1-CD2 4.09Å; Y461-L464 HydrophobicContact CD1-CB 3.9Å; Y461-L464 HydrophobicContact CD1-CD1 4.48Å; Y461-L464 HydrophobicContact CE1-CB 4.02Å; Y461-L464 HydrophobicContact CE1-CD1 4.21Å; L464-V469 HydrophobicContact CD1-CG2 3.86Å; L464-Y504 WeakPolarHBondContact O-CD1 3.48Å; L464-A523 HydrophobicContact CB-CB 4.02Å; L464-Y524 HydrophobicContact CD2-CD2 4.16Å; L464-L527 HydrophobicContact CD1-CD1 3.99Å; L464-L527 HydrophobicContact CD2-CD1 4.34Å; L464-L527 HydrophobicContact CG-CD1 3.78Å
465	K	93.9	Very high	94.1	Very high	34 Å²	34	28.9 Å²	28.9	15%	0.148	14%	0.135	C	C	.	.			trans	-155.6	164.5	177.8	61.6	-175.6	170.7	-134.4	0	110.4	D463 D467 N468 V469 T501 Y504	D463-K465 PolarHBondContact O-N 2.95Å; D463-K465 IonicContact OD1-NZ 3.77Å; D463-K465 PolarHBondContact OD1-NZ 3.34Å; D463-K465 IonicContact OD2-NZ 2.76Å; D463-K465 PolarHBondContact OD2-NZ 3.3Å; K465-D467 VanDerWaalsContact C-N 3.26Å; K465-D467 HydrophobicContact CD-CB 4.28Å; K465-D467 HydrophobicContact CG-CB 4.25Å; K465-D467 PolarHBondContact O-N 3.48Å; K465-N468 VanDerWaalsContact CE-CG 3.48Å; K465-N468 WeakPolarHBondContact CE-ND2 3.17Å; K465-N468 VanDerWaalsContact CE-OD1 3.31Å; K465-N468 WeakPolarHBondContact CE-OD1 3.29Å; K465-N468 HydrophobicContact CG-CB 4.04Å; K465-N468 PolarHBondContact O-N 3.43Å; K465-N468 VanDerWaalsContact O-N 3.16Å; K465-V469 WeakPolarHBondContact O-CG2 3.05Å; K465-T501 HydrophobicContact CD-CG2 4.33Å; K465-T501 WeakPolarHBondContact CD-OG1 3.33Å; K465-T501 PolarHBondContact NZ-OG1 2.84Å; K465-T501 VanDerWaalsContact NZ-OG1 3.09Å; K465-Y504 HydrophobicContact CB-CD1 4.38Å; K465-Y504 HydrophobicContact CB-CD2 3.94Å; K465-Y504 HydrophobicContact CB-CE1 4.18Å; K465-Y504 HydrophobicContact CB-CE2 3.77Å; K465-Y504 HydrophobicContact CB-CG 4.26Å
466	L	91.2	Very high	94	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-57.2	-36.6	-179.4	-70.8	170.8	0	0	0	113.5	L425 M426 I429 N468 V469 Y504 L527 E530 M531	L425-L466 HydrophobicContact CB-CB 4.5Å; L425-L466 HydrophobicContact CB-CD2 3.8Å; L425-L466 HydrophobicContact CD1-CD2 4.36Å; L425-L466 PolarHBondContact N-O 3.04Å; M426-L466 HydrophobicContact CB-CB 3.81Å; M426-L466 HydrophobicContact CE-CB 4.15Å; M426-L466 HydrophobicContact CE-CD1 3.8Å; M426-L466 HydrophobicContact SD-CD1 4.42Å; I429-L466 HydrophobicContact CD1-CD1 3.73Å; I429-L466 HydrophobicContact CD1-CD2 3.7Å; I429-L466 HydrophobicContact CD1-CG 4.39Å; L466-N468 VanDerWaalsContact C-N 3.3Å; L466-N468 PolarHBondContact O-N 3.23Å; L466-V469 PolarHBondContact O-N 3.02Å; L466-Y504 WeakPolarHBondContact CG-OH 3.29Å; L466-L527 HydrophobicContact CD2-CD2 4.49Å; L466-L527 HydrophobicContact CD2-CG 4.17Å; L466-E530 HydrophobicContact CD1-CB 4.26Å; L466-E530 WeakPolarHBondContact CD1-OE2 3.31Å; L466-M531 HydrophobicContact CD2-CG 4.21Å
467	D	89	Confident	94.1	Very high	68 Å²	68	20.3 Å²	20.3	36%	0.364	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-66.8	-28.6	-179.6	-50.7	-101.6	0	0	0	113.3	K465 V469	K465-D467 VanDerWaalsContact C-N 3.26Å; K465-D467 HydrophobicContact CD-CB 4.28Å; K465-D467 HydrophobicContact CG-CB 4.25Å; K465-D467 PolarHBondContact O-N 3.48Å; D467-V469 VanDerWaalsContact C-N 3.35Å
468	N	94.4	Very high	94.1	Very high	14 Å²	14	16.3 Å²	16.3	8%	0.075	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-91	-0.2	-178.8	-75.2	-2	0	0	0	112.9	Y461 D463 K465 L466 A480	Y461-N468 WeakPolarHBondContact OH-CB 3.46Å; D463-N468 PolarHBondContact O-ND2 3.12Å; D463-N468 PolarHBondContact OD2-ND2 3.23Å; K465-N468 VanDerWaalsContact CE-CG 3.48Å; K465-N468 WeakPolarHBondContact CE-ND2 3.17Å; K465-N468 VanDerWaalsContact CE-OD1 3.31Å; K465-N468 WeakPolarHBondContact CE-OD1 3.29Å; K465-N468 HydrophobicContact CG-CB 4.04Å; K465-N468 PolarHBondContact O-N 3.43Å; K465-N468 VanDerWaalsContact O-N 3.16Å; L466-N468 VanDerWaalsContact C-N 3.3Å; L466-N468 PolarHBondContact O-N 3.23Å; N468-A480 PolarHBondContact O-N 3.36Å
469	V	96.8	Very high	94.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.2	-179.7	-176.3	0	0	0	0	108.6	D424 L425 I447 L464 K465 L466 D467 I477 L527	D424-V469 CarbonylContact C-O 3.44Å; D424-V469 WeakPolarHBondContact CA-O 3.32Å; L425-V469 HydrophobicContact CD1-CB 3.99Å; L425-V469 HydrophobicContact CD1-CG1 3.53Å; L425-V469 HydrophobicContact CG-CB 4.21Å; L425-V469 HydrophobicContact CG-CG1 3.92Å; L425-V469 WeakPolarHBondContact CG-O 3.49Å; L425-V469 PolarHBondContact N-O 3.49Å; I447-V469 HydrophobicContact CD1-CG1 3.9Å; I447-V469 HydrophobicContact CD1-CG2 4.42Å; I447-V469 HydrophobicContact CG1-CG1 3.96Å; L464-V469 HydrophobicContact CD1-CG2 3.86Å; K465-V469 WeakPolarHBondContact O-CG2 3.05Å; L466-V469 PolarHBondContact O-N 3.02Å; D467-V469 VanDerWaalsContact C-N 3.35Å; V469-I477 HydrophobicContact CG1-CD1 3.5Å; V469-I477 HydrophobicContact CG1-CG2 3.68Å; V469-L527 HydrophobicContact CG2-CD1 4.06Å
470	M	94.8	Very high	93.9	Very high	27 Å²	27	16.9 Å²	16.9	13%	0.133	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	162.3	-174.6	-54.9	-176.5	78.6	0	0	112.7	V420 D424 I477 K478 A480 F626	V420-M470 HydrophobicContact CB-CE 4.38Å; V420-M470 HydrophobicContact CB-SD 4.27Å; V420-M470 HydrophobicContact CG1-CB 3.67Å; V420-M470 HydrophobicContact CG1-CE 4.43Å; V420-M470 HydrophobicContact CG1-SD 4.37Å; D424-M470 HydrophobicContact CB-CG 4.25Å; M470-I477 CarbonylContact O-C 3.48Å; M470-I477 WeakPolarHBondContact O-CA 3.38Å; M470-K478 HydrophobicContact CB-CB 4.36Å; M470-K478 PolarHBondContact N-O 2.96Å; M470-K478 PolarHBondContact O-N 2.95Å; M470-A480 HydrophobicContact SD-CB 4.39Å; M470-F626 HydrophobicContact CE-CE1 4.01Å; M470-F626 HydrophobicContact CE-CZ 4.02Å
471	L	92.7	Very high	93.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.1	167.8	-61.2	-176.4	0	0	0	110.6	V420 G422 G423 L425 Y443 H476 I477 F614	V420-L471 WeakPolarHBondContact CG1-O 3.43Å; G422-L471 CarbonylContact C-O 3.6Å; G422-L471 WeakPolarHBondContact CA-O 3.43Å; G422-L471 PolarHBondContact N-O 2.67Å; G423-L471 PolarHBondContact O-N 2.79Å; L425-L471 HydrophobicContact CD2-CD1 4.33Å; L425-L471 HydrophobicContact CD2-CD2 3.86Å; L425-L471 HydrophobicContact CD2-CG 4Å; Y443-L471 HydrophobicContact CD1-CD2 4.3Å; Y443-L471 HydrophobicContact CE1-CD2 3.78Å; L471-H476 CarbonylContact C-O 3.56Å; L471-H476 WeakPolarHBondContact CA-O 3.36Å; L471-I477 HydrophobicContact CD2-CD1 3.83Å; L471-F614 HydrophobicContact CD1-CD1 3.77Å; L471-F614 HydrophobicContact CD1-CE1 3.96Å
472	D	88.4	Confident	93.3	Very high	16 Å²	16	20 Å²	20	9%	0.086	11%	0.105	C	C	.	.			trans	-79.2	-178.5	166.9	76.2	7.4	0	0	0	112	E474 G475 H476 K478 R608 P616	D472-E474 PolarHBondContact O-N 2.99Å; D472-E474 WeakPolarHBondContact OD1-CA 3.49Å; D472-E474 PolarHBondContact OD1-N 2.87Å; D472-G475 PolarHBondContact O-N 2.94Å; D472-G475 VanDerWaalsContact O-N 3.13Å; D472-G475 PolarHBondContact OD1-N 3.41Å; D472-H476 PolarHBondContact N-O 3.15Å; D472-H476 PolarHBondContact OD1-N 2.99Å; D472-K478 HydrophobicContact CB-CG 4.22Å; D472-R608 IonicContact OD1-NH2 2.75Å; D472-R608 IonicContact OD2-CZ 3.44Å; D472-R608 IonicContact OD2-NH1 2.77Å; D472-R608 IonicContact OD2-NH2 3.37Å; D472-R608 PolarHBondContact OD2-NH2 2.83Å; D472-P616 WeakPolarHBondContact O-CG 3.3Å
473	S	85.8	Confident	92.9	Very high	38 Å²	38	19.5 Å²	19.5	27%	0.266	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.2	-178.5	57.5	0	0	0	0	114.2	N421 K615	N421-S473 WeakPolarHBondContact OD1-CB 3.18Å; N421-S473 PolarHBondContact OD1-N 3.14Å; S473-K615 WeakPolarHBondContact O-CE 3.27Å
474	E	86.1	Confident	92.7	Very high	84 Å²	84	22.4 Å²	22.4	39%	0.393	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-15.5	178.7	-63.9	-55.1	115.8	0	0	112.1	D472 P612 K615	D472-E474 PolarHBondContact O-N 2.99Å; D472-E474 WeakPolarHBondContact OD1-CA 3.49Å; D472-E474 PolarHBondContact OD1-N 2.87Å; E474-P612 WeakPolarHBondContact O-CG 3.31Å; E474-K615 WeakPolarHBondContact OE1-CE 3.37Å; E474-K615 IonicContact OE1-NZ 3.81Å; E474-K615 PolarHBondContact OE1-NZ 3.12Å; E474-K615 IonicContact OE2-NZ 3.48Å; E474-K615 PolarHBondContact OE2-NZ 2.9Å
475	G	90.4	Very high	92.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	99.5	14.1	179.1	0	0	0	0	0	114.4	D472 P612 F614	D472-G475 PolarHBondContact O-N 2.94Å; D472-G475 VanDerWaalsContact O-N 3.13Å; D472-G475 PolarHBondContact OD1-N 3.41Å; G475-P612 WeakPolarHBondContact O-CB 3.29Å; G475-F614 WeakPolarHBondContact CA-O 3.17Å
476	H	95.7	Very high	92.8	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.046	13%	0.132	C	C	.	.			trans	-86.1	154.1	173.1	-68.3	-88.3	0	0	0	111.4	F399 F442 E446 L471 D472 R608 I610 P612	F399-H476 HydrophobicContact CE1-CB 4.36Å; F442-H476 AromaticContact CZ-ND1 3.86Å; E446-H476 IonicContact OE1-CE1 3.93Å; E446-H476 IonicContact OE1-CG 2.7Å; E446-H476 IonicContact OE1-ND1 3.65Å; E446-H476 PolarHBondContact OE1-ND1 3.42Å; L471-H476 CarbonylContact C-O 3.56Å; L471-H476 WeakPolarHBondContact CA-O 3.36Å; D472-H476 PolarHBondContact N-O 3.15Å; D472-H476 PolarHBondContact OD1-N 2.99Å; H476-R608 PolarHBondContact CD2-NH2 3.25Å; H476-I610 PolarHBondContact CE1-O 3.45Å; H476-P612 WeakPolarHBondContact CD2-CG 3.22Å; H476-P612 VanDerWaalsContact NE2-CG 3.28Å; H476-P612 WeakPolarHBondContact NE2-CG 3.36Å
477	I	98.1	Very high	93	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.6	179.9	-67.7	-71.2	0	0	0	112.1	F399 L425 Y443 E446 I447 V469 M470 L471 I479	F399-I477 VanDerWaalsContact CA-O 3.29Å; F399-I477 WeakPolarHBondContact CA-O 2.9Å; L425-I477 HydrophobicContact CD1-CD1 3.87Å; L425-I477 HydrophobicContact CD2-CD1 4.12Å; L425-I477 HydrophobicContact CG-CD1 4.22Å; Y443-I477 HydrophobicContact CD1-CD1 3.79Å; Y443-I477 HydrophobicContact CD1-CG1 3.84Å; Y443-I477 HydrophobicContact CG-CD1 3.89Å; Y443-I477 HydrophobicContact CG-CG1 4.26Å; E446-I477 HydrophobicContact CB-CB 3.83Å; E446-I477 HydrophobicContact CB-CG1 3.9Å; E446-I477 WeakPolarHBondContact OE2-CB 3.39Å; E446-I477 WeakPolarHBondContact OE2-CG1 3.25Å; E446-I477 PolarHBondContact OE2-N 3.39Å; I447-I477 HydrophobicContact CD1-CD1 4.47Å; I447-I477 HydrophobicContact CG1-CD1 4.38Å; I447-I477 HydrophobicContact CG1-CG1 4.34Å; I447-I477 HydrophobicContact CG1-CG2 3.82Å; V469-I477 HydrophobicContact CG1-CD1 3.5Å; V469-I477 HydrophobicContact CG1-CG2 3.68Å; M470-I477 CarbonylContact O-C 3.48Å; M470-I477 WeakPolarHBondContact O-CA 3.38Å; L471-I477 HydrophobicContact CD2-CD1 3.83Å; I477-I479 HydrophobicContact CG2-CG1 4.21Å
478	K	97.4	Very high	93.3	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	109.5	168.1	-68	-67.7	-171.8	163	0	109.5	P398 F399 E418 V420 M470 D472	P398-K478 WeakPolarHBondContact O-CD 3.38Å; P398-K478 WeakPolarHBondContact O-CE 3.42Å; P398-K478 PolarHBondContact O-NZ 3.07Å; F399-K478 CarbonylContact O-C 3.59Å; F399-K478 WeakPolarHBondContact O-CA 3.46Å; E418-K478 IonicContact OE1-NZ 3.66Å; E418-K478 PolarHBondContact OE1-NZ 3.41Å; E418-K478 IonicContact OE2-NZ 2.98Å; E418-K478 PolarHBondContact OE2-NZ 2.81Å; V420-K478 HydrophobicContact CG1-CB 4Å; V420-K478 HydrophobicContact CG1-CG 3.97Å; V420-K478 HydrophobicContact CG2-CB 4.1Å; V420-K478 HydrophobicContact CG2-CG 3.97Å; M470-K478 HydrophobicContact CB-CB 4.36Å; M470-K478 PolarHBondContact N-O 2.96Å; M470-K478 PolarHBondContact O-N 2.95Å; D472-K478 HydrophobicContact CB-CG 4.22Å
479	I	98.1	Very high	93.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.1	172.2	-53.4	177.9	0	0	0	108.4	F399 L400 T401 I447 Y461 I477 F482	F399-I479 PolarHBondContact O-N 2.85Å; L400-I479 HydrophobicContact CD2-CB 3.84Å; L400-I479 HydrophobicContact CD2-CD1 3.89Å; L400-I479 HydrophobicContact CD2-CG1 4.21Å; L400-I479 HydrophobicContact CD2-CG2 4.49Å; T401-I479 WeakPolarHBondContact CB-O 3.26Å; T401-I479 PolarHBondContact N-O 3.47Å; T401-I479 PolarHBondContact OG1-O 3.46Å; I447-I479 HydrophobicContact CG2-CD1 4.18Å; Y461-I479 HydrophobicContact CE1-CG2 4.11Å; Y461-I479 HydrophobicContact CE2-CG2 3.84Å; I477-I479 HydrophobicContact CG2-CG1 4.21Å; I479-F482 HydrophobicContact CG2-CZ 4.48Å; I479-F482 WeakPolarHBondContact O-CZ 3.26Å
480	A	93.4	Very high	93.3	Very high	18 Å²	18	35.4 Å²	35.4	15%	0.149	18%	0.18	C	C	.	.			trans	-113.3	-178.5	-178.9	0	0	0	0	0	111.5	T401 Y461 N468 M470	T401-A480 WeakPolarHBondContact OG1-CA 3.45Å; Y461-A480 PolarHBondContact OH-O 3.41Å; N468-A480 PolarHBondContact O-N 3.36Å; M470-A480 HydrophobicContact SD-CB 4.39Å
481	D	90.1	Very high	93	Very high	63 Å²	63	40.2 Å²	40.2	34%	0.337	21%	0.207	S	C	.	.			trans	48.9	90.8	174.3	-154	-1	0	0	0	116.2	K368 Y461 G483	K368-D481 IonicContact NZ-OD1 3.85Å; K368-D481 PolarHBondContact NZ-OD1 3.35Å; Y461-D481 WeakPolarHBondContact CE2-O 3.27Å; Y461-D481 PolarHBondContact OH-O 3.44Å; D481-G483 PolarHBondContact OD1-N 3.23Å
482	F	93.6	Very high	92.8	Very high	3 Å²	3	44 Å²	44	1%	0.013	25%	0.246	C	C	.	.			trans	-99.5	14.4	-178.8	-59.7	-92.6	0	0	0	112.6	E387 V390 L391 L400 L454 Y461 I479 M484 C485	E387-F482 HydrophobicContact CG-CB 4.17Å; V390-F482 HydrophobicContact CB-CB 4.26Å; V390-F482 HydrophobicContact CG1-CB 3.99Å; V390-F482 HydrophobicContact CG1-CD1 3.52Å; V390-F482 HydrophobicContact CG1-CE1 4.24Å; V390-F482 HydrophobicContact CG1-CG 3.88Å; L391-F482 HydrophobicContact CD2-CD2 3.43Å; L391-F482 VanDerWaalsContact CD2-CD2 3.43Å; L391-F482 HydrophobicContact CD2-CE2 3.6Å; L391-F482 HydrophobicContact CD2-CG 4.48Å; L391-F482 HydrophobicContact CG-CD2 3.82Å; L391-F482 HydrophobicContact CG-CE2 4.45Å; L400-F482 HydrophobicContact CB-CZ 4.24Å; L400-F482 HydrophobicContact CD2-CE1 4.19Å; L400-F482 HydrophobicContact CD2-CZ 4.07Å; L454-F482 HydrophobicContact CD1-CE1 4.3Å; Y461-F482 AromaticContact CD2-CD1 3.85Å; Y461-F482 HydrophobicContact CD2-CD1 3.85Å; Y461-F482 HydrophobicContact CD2-CE1 4.13Å; Y461-F482 AromaticContact CE2-CD1 3.7Å; Y461-F482 HydrophobicContact CE2-CD1 3.7Å; Y461-F482 AromaticContact CE2-CE1 3.91Å; Y461-F482 HydrophobicContact CE2-CE1 3.91Å; Y461-F482 HydrophobicContact CE2-CG 4.32Å; I479-F482 HydrophobicContact CG2-CZ 4.48Å; I479-F482 WeakPolarHBondContact O-CZ 3.26Å; F482-M484 PolarHBondContact O-N 3.27Å; F482-C485 WeakPolarHBondContact O-CB 3.43Å; F482-C485 PolarHBondContact O-N 2.88Å; F482-C485 VanDerWaalsContact O-N 3.11Å; F482-C485 PolarHBondContact O-SG 3.14Å
483	G	89.3	Confident	93.2	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.3	-177.9	0	0	0	0	0	114.6	D481	D481-G483 PolarHBondContact OD1-N 3.23Å
484	M	90.6	Very high	93.7	Very high	72 Å²	72	48.7 Å²	48.7	36%	0.355	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2.9	-180	-70.1	-66.4	-157.1	0	0	113.8	Y461 R462 D463 F482 C499	Y461-M484 CarbonylContact O-C 3.55Å; R462-M484 PolarHBondContact NE-O 3.47Å; R462-M484 PolarHBondContact NH2-O 3.22Å; D463-M484 HydrophobicContact CB-CB 3.79Å; D463-M484 HydrophobicContact CB-CG 3.9Å; F482-M484 PolarHBondContact O-N 3.27Å; M484-C499 HydrophobicContact CE-CB 4.38Å; M484-C499 HydrophobicContact SD-CB 4.15Å
485	C	95.8	Very high	94	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.027	26%	0.26	C	S	.	.			trans	-62	154.4	-178.5	-75.6	0	0	0	0	112.5	V386 V390 I459 I460 R462 F482	V386-C485 HydrophobicContact CG1-CB 3.91Å; V390-C485 HydrophobicContact CG2-CB 3.95Å; I459-C485 HydrophobicContact CG2-CB 4.07Å; I460-C485 CarbonylContact O-C 3.43Å; I460-C485 VanDerWaalsContact O-CA 3.26Å; I460-C485 WeakPolarHBondContact O-CA 3.23Å; R462-C485 PolarHBondContact NH2-O 3.32Å; F482-C485 WeakPolarHBondContact O-CB 3.43Å; F482-C485 PolarHBondContact O-N 2.88Å; F482-C485 VanDerWaalsContact O-N 3.11Å; F482-C485 PolarHBondContact O-SG 3.14Å
486	K	96.3	Very high	94.1	Very high	82 Å²	82	54.4 Å²	54.4	36%	0.357	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-129.9	118	169.4	-172.1	70.1	175.9	179.1	0	110.1	I459 I460 M489	I459-K486 WeakPolarHBondContact CA-O 3.48Å; I460-K486 HydrophobicContact CD1-CB 4.15Å; I460-K486 HydrophobicContact CG1-CB 3.72Å; I460-K486 PolarHBondContact N-O 3.35Å; I460-K486 PolarHBondContact O-N 2.94Å; K486-M489 HydrophobicContact CB-CG 4.12Å; K486-M489 HydrophobicContact CG-CG 3.79Å; K486-M489 HydrophobicContact CG-SD 3.85Å; K486-M489 WeakPolarHBondContact O-CG 3.11Å
487	E	96.2	Very high	93.6	Very high	30 Å²	30	57.3 Å²	57.3	14%	0.14	31%	0.312	C	S	.	.			trans	-81	169.4	175.4	-60.9	175.8	104.7	0	0	111.7	V386 R389 V390 G458 I459 M489	V386-E487 HydrophobicContact CG1-CG 4.09Å; R389-E487 IonicContact CZ-OE2 3.02Å; R389-E487 VanDerWaalsContact CZ-OE2 3.23Å; R389-E487 IonicContact NE-OE1 3.88Å; R389-E487 IonicContact NE-OE2 3.21Å; R389-E487 PolarHBondContact NE-OE2 2.88Å; R389-E487 IonicContact NH2-OE2 2.83Å; R389-E487 PolarHBondContact NH2-OE2 2.91Å; V390-E487 HydrophobicContact CG2-CG 4.29Å; G458-E487 CarbonylContact O-C 3.48Å; I459-E487 HydrophobicContact CG1-CG 4.18Å; E487-M489 VanDerWaalsContact C-N 3.28Å; E487-M489 PolarHBondContact O-N 3.24Å
488	H	95.8	Very high	93	Very high	156 Å²	156	60.9 Å²	60.9	72%	0.722	33%	0.328	S	S	*	.			trans	64.2	26.2	179.1	-49.7	-63.2	0	0	0	115	G458 M490 V493	G458-H488 PolarHBondContact O-N 3.25Å; H488-M490 PolarHBondContact O-N 3.37Å; H488-V493 WeakPolarHBondContact O-CG1 3.48Å
489	M	96.5	Very high	92.4	Very high	15 Å²	15	61.3 Å²	61.3	7%	0.074	33%	0.331	C	S	.	.			trans	-96.2	52.1	-179.1	-62	-60.1	-61.8	0	0	111.9	G458 I460 K486 E487 V493 T495	G458-M489 PolarHBondContact O-N 2.91Å; I460-M489 HydrophobicContact CD1-CE 3.86Å; I460-M489 HydrophobicContact CD1-CG 4.05Å; I460-M489 HydrophobicContact CG1-CB 4.44Å; I460-M489 HydrophobicContact CG1-CG 3.95Å; I460-M489 HydrophobicContact CG2-CB 3.95Å; I460-M489 HydrophobicContact CG2-CG 4.37Å; K486-M489 HydrophobicContact CB-CG 4.12Å; K486-M489 HydrophobicContact CG-CG 3.79Å; K486-M489 HydrophobicContact CG-SD 3.85Å; K486-M489 WeakPolarHBondContact O-CG 3.11Å; E487-M489 VanDerWaalsContact C-N 3.28Å; E487-M489 PolarHBondContact O-N 3.24Å; M489-V493 HydrophobicContact SD-CG1 4.1Å; M489-T495 HydrophobicContact CE-CG2 3.87Å; M489-T495 HydrophobicContact SD-CG2 4.35Å
490	M	93.6	Very high	91.6	Very high	106 Å²	106	62.5 Å²	62.5	52%	0.522	34%	0.343	S	S	.	.			trans	-67.4	168.1	172.9	-65.5	-64.2	-178.8	0	0	111.2	H488 G492 V493	H488-M490 PolarHBondContact O-N 3.37Å; M490-G492 PolarHBondContact O-N 3.34Å; M490-V493 VanDerWaalsContact O-CB 3.32Å; M490-V493 WeakPolarHBondContact O-CB 3.37Å; M490-V493 PolarHBondContact O-N 3.06Å
491	D	89	Confident	91.1	Very high	128 Å²	128	63 Å²	63	68%	0.684	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	131.6	-178.1	-69.5	-30.9	0	0	0	112.1	V493 K517	D491-V493 VanDerWaalsContact C-N 3.3Å; D491-V493 PolarHBondContact O-N 2.88Å; D491-K517 IonicContact OD1-NZ 3.32Å; D491-K517 PolarHBondContact OD1-NZ 3.42Å
492	G	89	Confident	90.9	Very high	80 Å²	80	61.9 Å²	61.9	83%	0.825	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-14.7	-175.7	0	0	0	0	0	115.1	M490	M490-G492 PolarHBondContact O-N 3.34Å
493	V	96.2	Very high	90.6	Very high	70 Å²	70	63.1 Å²	63.1	42%	0.424	35%	0.347	S	S	.	.			trans	-81.7	137.1	174.7	-174.8	0	0	0	0	110.2	H488 M489 M490 D491	H488-V493 WeakPolarHBondContact O-CG1 3.48Å; M489-V493 HydrophobicContact SD-CG1 4.1Å; M490-V493 VanDerWaalsContact O-CB 3.32Å; M490-V493 WeakPolarHBondContact O-CB 3.37Å; M490-V493 PolarHBondContact O-N 3.06Å; D491-V493 VanDerWaalsContact C-N 3.3Å; D491-V493 PolarHBondContact O-N 2.88Å
494	T	96.8	Very high	90.9	Very high	81 Å²	81	62.9 Å²	62.9	50%	0.497	34%	0.342	S	S	.	.			trans	-129	155.8	179.7	59.4	0	0	0	0	112	P514 Y515	T494-P514 HydrophobicContact CG2-CB 4.18Å; T494-P514 WeakPolarHBondContact OG1-CB 3.38Å; T494-Y515 CarbonylContact C-O 3.59Å; T494-Y515 VanDerWaalsContact CA-O 3.23Å; T494-Y515 WeakPolarHBondContact CA-O 3.36Å
495	T	93	Very high	91	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.117	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-129.7	172.6	173	-165.3	0	0	0	0	110.4	I460 M489 P514 Y515	I460-T495 HydrophobicContact CD1-CG2 4.11Å; M489-T495 HydrophobicContact CE-CG2 3.87Å; M489-T495 HydrophobicContact SD-CG2 4.35Å; T495-P514 WeakPolarHBondContact O-CA 3.04Å; T495-Y515 HydrophobicContact CG2-CD2 3.9Å; T495-Y515 HydrophobicContact CG2-CE1 4.17Å; T495-Y515 HydrophobicContact CG2-CE2 3.32Å; T495-Y515 VanDerWaalsContact CG2-CZ 3.48Å; T495-Y515 PolarHBondContact N-O 3.11Å; T495-Y515 WeakPolarHBondContact O-CD1 3.08Å; T495-Y515 PolarHBondContact O-N 3.34Å
496	R	90.8	Very high	91	Very high	186 Å²	186	59.6 Å²	59.6	70%	0.702	33%	0.326	S	S	*	.			trans	-138.5	5.1	-173.2	-62.4	-176.1	-173.4	-174.4	-2.6	114.3	F498 P514	R496-F498 PolarHBondContact O-N 3.26Å; R496-P514 HydrophobicContact CG-CB 4.26Å; R496-P514 HydrophobicContact CG-CG 4.44Å
497	T	85.1	Confident	91.1	Very high	70 Å²	70	56 Å²	56	43%	0.429	31%	0.311	S	S	.	.			trans	-61.2	126.7	179.6	-53	0	0	0	0	109.5	C499 Y515	T497-C499 HydrophobicContact CG2-CB 4.26Å; T497-C499 PolarHBondContact O-N 3.42Å; T497-Y515 VanDerWaalsContact O-CE1 3.32Å; T497-Y515 WeakPolarHBondContact O-CE1 3.43Å; T497-Y515 PolarHBondContact O-OH 2.81Å
498	F	86.8	Confident	91.1	Very high	76 Å²	76	54.7 Å²	54.7	33%	0.333	31%	0.305	S	S	.	.			trans	-80.9	104.6	173.4	-167.9	-80	0	0	0	108.5	R496 I505 I509 Y512 F547	R496-F498 PolarHBondContact O-N 3.26Å; F498-I505 HydrophobicContact CD1-CD1 4.46Å; F498-I505 HydrophobicContact CE1-CD1 3.83Å; F498-I505 HydrophobicContact CE2-CD1 4.17Å; F498-I505 HydrophobicContact CZ-CD1 3.66Å; F498-I509 HydrophobicContact CD2-CG2 3.81Å; F498-I509 HydrophobicContact CE2-CG2 4.13Å; F498-I509 HydrophobicContact CG-CG2 4.23Å; F498-Y512 HydrophobicContact CD2-CD1 4.42Å; F498-Y512 AromaticContact CD2-CE1 3.92Å; F498-Y512 HydrophobicContact CD2-CE1 3.92Å; F498-F547 HydrophobicContact CE1-CE2 4.43Å; F498-F547 HydrophobicContact CE1-CZ 4.35Å; F498-F547 AromaticContact CZ-CE2 3.71Å; F498-F547 HydrophobicContact CZ-CE2 3.71Å; F498-F547 AromaticContact CZ-CZ 3.86Å; F498-F547 HydrophobicContact CZ-CZ 3.86Å
499	C	83.9	Confident	91	Very high	15 Å²	15	47.7 Å²	47.7	10%	0.101	27%	0.273	C	S	.	.			trans	-153.7	169.7	-177.1	64.2	0	0	0	0	110.9	R462 M484 T497	R462-C499 PolarHBondContact NH1-SG 3.24Å; M484-C499 HydrophobicContact CE-CB 4.38Å; M484-C499 HydrophobicContact SD-CB 4.15Å; T497-C499 HydrophobicContact CG2-CB 4.26Å; T497-C499 PolarHBondContact O-N 3.42Å
500	G	81.2	Confident	90.7	Very high	25 Å²	25	48.1 Å²	48.1	26%	0.258	28%	0.275	S	S	.	.	S	Bend	trans	111.3	169.2	-177.4	0	0	0	0	0	111.7	R462	R462-G500 WeakPolarHBondContact O-CA 3.5Å
501	T	84.4	Confident	90.3	Very high	29 Å²	29	44.9 Å²	44.9	18%	0.178	27%	0.265	C	S	.	.			trans	-80.4	132.5	177.6	-61.2	0	0	0	0	109.6	D463 K465 D503 Y504 I505	D463-T501 PolarHBondContact OD1-OG1 3.01Å; K465-T501 HydrophobicContact CD-CG2 4.33Å; K465-T501 WeakPolarHBondContact CD-OG1 3.33Å; K465-T501 PolarHBondContact NZ-OG1 2.84Å; K465-T501 VanDerWaalsContact NZ-OG1 3.09Å; T501-D503 VanDerWaalsContact C-N 3.33Å; T501-D503 PolarHBondContact O-N 2.87Å; T501-D503 VanDerWaalsContact O-N 3.17Å; T501-Y504 HydrophobicContact CG2-CD2 4.2Å; T501-Y504 CarbonylContact O-C 3.41Å; T501-Y504 PolarHBondContact O-N 3.06Å; T501-I505 PolarHBondContact O-N 2.85Å; T501-I505 VanDerWaalsContact O-N 3.09Å
502	P	85.9	Confident	90.1	Very high	38 Å²	38	47.2 Å²	47.2	25%	0.247	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-50	-43.2	-172	-32.1	36.6	0	0	0	115.5	Y504 I505 L546 F547	P502-Y504 PolarHBondContact O-N 2.92Å; P502-I505 WeakPolarHBondContact O-CG2 3.36Å; P502-I505 PolarHBondContact O-N 2.9Å; P502-L546 HydrophobicContact CB-CD2 3.82Å; P502-F547 HydrophobicContact CB-CE1 4.11Å
503	D	86.8	Confident	90.2	Very high	29 Å²	29	48.1 Å²	48.1	16%	0.155	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-65.9	-23.9	-179.8	-55.5	-87.5	0	0	0	113.7	T501	T501-D503 VanDerWaalsContact C-N 3.33Å; T501-D503 PolarHBondContact O-N 2.87Å; T501-D503 VanDerWaalsContact O-N 3.17Å
504	Y	95.3	Very high	90.1	Very high	10 Å²	10	47.6 Å²	47.6	4%	0.039	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-105.6	-3.4	-175.1	-68.3	-98.8	0	0	0	112.9	L464 K465 L466 T501 P502 W522 A523 V526 L527 E530	L464-Y504 WeakPolarHBondContact O-CD1 3.48Å; K465-Y504 HydrophobicContact CB-CD1 4.38Å; K465-Y504 HydrophobicContact CB-CD2 3.94Å; K465-Y504 HydrophobicContact CB-CE1 4.18Å; K465-Y504 HydrophobicContact CB-CE2 3.77Å; K465-Y504 HydrophobicContact CB-CG 4.26Å; L466-Y504 WeakPolarHBondContact CG-OH 3.29Å; T501-Y504 HydrophobicContact CG2-CD2 4.2Å; T501-Y504 CarbonylContact O-C 3.41Å; T501-Y504 PolarHBondContact O-N 3.06Å; P502-Y504 PolarHBondContact O-N 2.92Å; Y504-W522 VanDerWaalsContact O-CD1 3.29Å; Y504-A523 HydrophobicContact CD1-CB 4.41Å; Y504-V526 HydrophobicContact CD1-CB 3.95Å; Y504-V526 HydrophobicContact CD1-CG1 3.68Å; Y504-V526 HydrophobicContact CE1-CB 4.27Å; Y504-V526 HydrophobicContact CE1-CG1 3.78Å; Y504-V526 HydrophobicContact CG-CG1 4.12Å; Y504-L527 HydrophobicContact CE1-CB 3.87Å; Y504-L527 HydrophobicContact CE1-CG 4.46Å; Y504-E530 PolarHBondContact OH-OE1 2.93Å; Y504-E530 PolarHBondContact OH-OE2 3.49Å
505	I	92	Very high	90.1	Very high	5 Å²	5	44 Å²	44	3%	0.026	22%	0.223	C	C	.	.			trans	-70.1	138.5	-173.7	-154.7	173.8	0	0	0	110.7	F498 T501 P502 I509 I510 W522 F547 I550	F498-I505 HydrophobicContact CD1-CD1 4.46Å; F498-I505 HydrophobicContact CE1-CD1 3.83Å; F498-I505 HydrophobicContact CE2-CD1 4.17Å; F498-I505 HydrophobicContact CZ-CD1 3.66Å; T501-I505 PolarHBondContact O-N 2.85Å; T501-I505 VanDerWaalsContact O-N 3.09Å; P502-I505 WeakPolarHBondContact O-CG2 3.36Å; P502-I505 PolarHBondContact O-N 2.9Å; I505-I509 HydrophobicContact CD1-CB 4.27Å; I505-I509 HydrophobicContact CD1-CG2 3.71Å; I505-I509 HydrophobicContact CG1-CB 3.94Å; I505-I509 HydrophobicContact CG1-CD1 4.04Å; I505-I509 HydrophobicContact CG1-CG2 3.88Å; I505-I510 HydrophobicContact CG2-CD1 3.61Å; I505-I510 HydrophobicContact CG2-CG1 3.67Å; I505-W522 PolarHBondContact O-NE1 3.31Å; I505-F547 HydrophobicContact CG2-CD1 4.07Å; I505-F547 HydrophobicContact CG2-CE1 3.69Å; I505-F547 HydrophobicContact CG2-CZ 4.49Å; I505-I550 HydrophobicContact CG2-CD1 3.99Å
506	A	97.1	Very high	90.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	23%	0.225	C	C	.	.			trans	-80.6	149.1	-176.5	0	0	0	0	0	112.5	E508 I509 I510 V519 W522	A506-E508 HydrophobicContact CB-CG 4.29Å; A506-E508 PolarHBondContact O-N 2.79Å; A506-I509 HydrophobicContact CB-CD1 4.4Å; A506-I509 HydrophobicContact CB-CG1 4.32Å; A506-I509 WeakPolarHBondContact O-CB 3.33Å; A506-I509 PolarHBondContact O-N 3.34Å; A506-I510 PolarHBondContact O-N 2.77Å; A506-V519 HydrophobicContact CB-CB 4Å; A506-V519 HydrophobicContact CB-CG1 3.89Å; A506-W522 VanDerWaalsContact CA-CD1 3.45Å; A506-W522 HydrophobicContact CB-CB 3.87Å; A506-W522 HydrophobicContact CB-CD2 4.43Å; A506-W522 HydrophobicContact CB-CG 3.74Å
507	P	97.3	Very high	90.5	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.045	20%	0.203	C	C	.	.	H	α-helix	trans	-53.5	-38.5	178.2	-29.6	35.9	0	0	0	113.6	I509 I510 A511 W522 I550 M551 K575	P507-I509 VanDerWaalsContact C-N 3.3Å; P507-I509 PolarHBondContact O-N 2.81Å; P507-I510 PolarHBondContact O-N 2.6Å; P507-A511 VanDerWaalsContact O-CB 3.29Å; P507-A511 WeakPolarHBondContact O-CB 3.17Å; P507-A511 PolarHBondContact O-N 2.74Å; P507-W522 VanDerWaalsContact CD-CD2 3.44Å; P507-W522 VanDerWaalsContact CD-CE2 3.47Å; P507-W522 HydrophobicContact CG-CD2 4.28Å; P507-W522 HydrophobicContact CG-CE3 3.97Å; P507-W522 HydrophobicContact CG-CH2 3.47Å; P507-W522 VanDerWaalsContact CG-CH2 3.47Å; P507-W522 HydrophobicContact CG-CZ2 3.83Å; P507-W522 HydrophobicContact CG-CZ3 3.55Å; P507-I550 HydrophobicContact CG-CG2 3.83Å; P507-M551 HydrophobicContact CB-SD 3.61Å; P507-M551 VanDerWaalsContact O-SD 3.42Å; P507-K575 HydrophobicContact CG-CB 4.27Å; P507-K575 HydrophobicContact CG-CG 4.26Å
508	E	97.2	Very high	91.2	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-29	178.1	62.1	-96.3	-140.6	0	0	113.3	A506 Y512 Q513 S518 V519 P577 R580	A506-E508 HydrophobicContact CB-CG 4.29Å; A506-E508 PolarHBondContact O-N 2.79Å; E508-Y512 PolarHBondContact O-N 3.14Å; E508-Q513 HydrophobicContact CB-CB 4.16Å; E508-Q513 WeakPolarHBondContact O-CA 3.07Å; E508-Q513 WeakPolarHBondContact O-CB 3.35Å; E508-Q513 PolarHBondContact O-N 3.35Å; E508-S518 WeakPolarHBondContact OE1-CB 3.15Å; E508-S518 PolarHBondContact OE1-OG 2.87Å; E508-V519 HydrophobicContact CG-CG1 4Å; E508-P577 HydrophobicContact CB-CG 4.47Å; E508-R580 IonicContact OE1-CZ 2.84Å; E508-R580 IonicContact OE1-NH1 2.69Å; E508-R580 PolarHBondContact OE1-NH1 2.87Å; E508-R580 IonicContact OE1-NH2 2.75Å; E508-R580 IonicContact OE2-CZ 2.9Å; E508-R580 IonicContact OE2-NH1 3.18Å; E508-R580 PolarHBondContact OE2-NH1 2.83Å; E508-R580 IonicContact OE2-NH2 2.81Å; E508-R580 PolarHBondContact OE2-NH2 2.69Å
509	I	92.6	Very high	91.7	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.046	17%	0.173	C	C	.	.	H	α-helix	trans	-72.8	-46.4	174.9	-57.7	179.2	0	0	0	109.7	F498 I505 A506 P507 A511 Y512 Y515 V519	F498-I509 HydrophobicContact CD2-CG2 3.81Å; F498-I509 HydrophobicContact CE2-CG2 4.13Å; F498-I509 HydrophobicContact CG-CG2 4.23Å; I505-I509 HydrophobicContact CD1-CB 4.27Å; I505-I509 HydrophobicContact CD1-CG2 3.71Å; I505-I509 HydrophobicContact CG1-CB 3.94Å; I505-I509 HydrophobicContact CG1-CD1 4.04Å; I505-I509 HydrophobicContact CG1-CG2 3.88Å; A506-I509 HydrophobicContact CB-CD1 4.4Å; A506-I509 HydrophobicContact CB-CG1 4.32Å; A506-I509 WeakPolarHBondContact O-CB 3.33Å; A506-I509 PolarHBondContact O-N 3.34Å; P507-I509 VanDerWaalsContact C-N 3.3Å; P507-I509 PolarHBondContact O-N 2.81Å; I509-A511 PolarHBondContact O-N 3.2Å; I509-Y512 WeakPolarHBondContact O-CA 3.32Å; I509-Y512 PolarHBondContact O-N 2.61Å; I509-Y515 HydrophobicContact CD1-CE1 4.24Å; I509-Y515 HydrophobicContact CD1-CE2 4.5Å; I509-Y515 HydrophobicContact CG1-CD1 3.73Å; I509-Y515 HydrophobicContact CG1-CE1 3.78Å; I509-Y515 HydrophobicContact CG1-CG 4.16Å; I509-V519 HydrophobicContact CD1-CB 4.01Å; I509-V519 HydrophobicContact CD1-CG1 3.78Å; I509-V519 HydrophobicContact CD1-CG2 4.49Å; I509-V519 HydrophobicContact CG1-CG1 3.81Å
510	I	90.7	Very high	92.4	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.118	17%	0.168	C	C	.	.	H	α-helix	trans	-57.3	-41.3	175.9	-64	165.9	0	0	0	110.6	I505 A506 P507 Y512 F547 I550 M551	I505-I510 HydrophobicContact CG2-CD1 3.61Å; I505-I510 HydrophobicContact CG2-CG1 3.67Å; A506-I510 PolarHBondContact O-N 2.77Å; P507-I510 PolarHBondContact O-N 2.6Å; I510-Y512 VanDerWaalsContact O-CD2 3.24Å; I510-Y512 WeakPolarHBondContact O-CD2 3.21Å; I510-Y512 PolarHBondContact O-N 2.92Å; I510-F547 HydrophobicContact CD1-CB 4.03Å; I510-F547 HydrophobicContact CD1-CD1 3.8Å; I510-F547 HydrophobicContact CD1-CG 4Å; I510-F547 HydrophobicContact CG1-CB 4.35Å; I510-F547 HydrophobicContact CG1-CD1 4.01Å; I510-F547 HydrophobicContact CG1-CD2 4.47Å; I510-F547 HydrophobicContact CG1-CE1 4.45Å; I510-F547 HydrophobicContact CG1-CG 4.02Å; I510-F547 HydrophobicContact CG2-CB 3.85Å; I510-F547 HydrophobicContact CG2-CD2 4.36Å; I510-F547 HydrophobicContact CG2-CG 4.17Å; I510-I550 HydrophobicContact CD1-CB 3.82Å; I510-I550 HydrophobicContact CD1-CD1 3.91Å; I510-I550 HydrophobicContact CD1-CG1 4.48Å; I510-I550 HydrophobicContact CD1-CG2 3.53Å; I510-M551 HydrophobicContact CB-CG 4.44Å; I510-M551 HydrophobicContact CB-SD 4.24Å; I510-M551 HydrophobicContact CD1-CG 4.49Å; I510-M551 HydrophobicContact CG2-CG 3.9Å; I510-M551 HydrophobicContact CG2-SD 4.25Å
511	A	86.1	Confident	93.2	Very high	39 Å²	39	29.7 Å²	29.7	32%	0.322	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	6.1	177.6	0	0	0	0	0	114.1	P507 I509 Q513 M551	P507-A511 VanDerWaalsContact O-CB 3.29Å; P507-A511 WeakPolarHBondContact O-CB 3.17Å; P507-A511 PolarHBondContact O-N 2.74Å; I509-A511 PolarHBondContact O-N 3.2Å; A511-Q513 HydrophobicContact CB-CG 3.95Å; A511-Q513 PolarHBondContact O-N 3.43Å; A511-Q513 VanDerWaalsContact O-N 3.16Å; A511-M551 HydrophobicContact CB-CE 4.02Å
512	Y	84.6	Confident	93.9	Very high	177 Å²	177	28.3 Å²	28.3	69%	0.694	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	29.5	-176.9	-65	-91.4	0	0	0	113.9	F498 E508 I509 I510	F498-Y512 HydrophobicContact CD2-CD1 4.42Å; F498-Y512 AromaticContact CD2-CE1 3.92Å; F498-Y512 HydrophobicContact CD2-CE1 3.92Å; E508-Y512 PolarHBondContact O-N 3.14Å; I509-Y512 WeakPolarHBondContact O-CA 3.32Å; I509-Y512 PolarHBondContact O-N 2.61Å; I510-Y512 VanDerWaalsContact O-CD2 3.24Å; I510-Y512 WeakPolarHBondContact O-CD2 3.21Å; I510-Y512 PolarHBondContact O-N 2.92Å
513	Q	90.8	Very high	94.5	Very high	99 Å²	99	26.8 Å²	26.8	46%	0.463	14%	0.138	S	C	.	.			trans	-83.9	149.3	178.1	-63.4	-180	0.7	0	0	110.7	E508 A511 Y515	E508-Q513 HydrophobicContact CB-CB 4.16Å; E508-Q513 WeakPolarHBondContact O-CA 3.07Å; E508-Q513 WeakPolarHBondContact O-CB 3.35Å; E508-Q513 PolarHBondContact O-N 3.35Å; A511-Q513 HydrophobicContact CB-CG 3.95Å; A511-Q513 PolarHBondContact O-N 3.43Å; A511-Q513 VanDerWaalsContact O-N 3.16Å; Q513-Y515 PolarHBondContact O-N 3.47Å
514	P	93.4	Very high	95.1	Very high	58 Å²	58	25.4 Å²	25.4	38%	0.377	13%	0.131	S	C	.	.			trans	-60.9	135.6	169.3	-13.7	26	0	0	0	110.5	T494 T495 R496	T494-P514 HydrophobicContact CG2-CB 4.18Å; T494-P514 WeakPolarHBondContact OG1-CB 3.38Å; T495-P514 WeakPolarHBondContact O-CA 3.04Å; R496-P514 HydrophobicContact CG-CB 4.26Å; R496-P514 HydrophobicContact CG-CG 4.44Å
515	Y	96.6	Very high	95.3	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.02	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-134.7	162.1	-175.5	66.6	-99.7	0	0	0	112.2	I460 R462 T494 T495 T497 I509 Q513 V519	I460-Y515 HydrophobicContact CD1-CD2 4.28Å; I460-Y515 HydrophobicContact CD1-CE2 3.92Å; R462-Y515 PolarHBondContact NH1-OH 3.42Å; T494-Y515 CarbonylContact C-O 3.59Å; T494-Y515 VanDerWaalsContact CA-O 3.23Å; T494-Y515 WeakPolarHBondContact CA-O 3.36Å; T495-Y515 HydrophobicContact CG2-CD2 3.9Å; T495-Y515 HydrophobicContact CG2-CE1 4.17Å; T495-Y515 HydrophobicContact CG2-CE2 3.32Å; T495-Y515 VanDerWaalsContact CG2-CZ 3.48Å; T495-Y515 PolarHBondContact N-O 3.11Å; T495-Y515 WeakPolarHBondContact O-CD1 3.08Å; T495-Y515 PolarHBondContact O-N 3.34Å; T497-Y515 VanDerWaalsContact O-CE1 3.32Å; T497-Y515 WeakPolarHBondContact O-CE1 3.43Å; T497-Y515 PolarHBondContact O-OH 2.81Å; I509-Y515 HydrophobicContact CD1-CE1 4.24Å; I509-Y515 HydrophobicContact CD1-CE2 4.5Å; I509-Y515 HydrophobicContact CG1-CD1 3.73Å; I509-Y515 HydrophobicContact CG1-CE1 3.78Å; I509-Y515 HydrophobicContact CG1-CG 4.16Å; Q513-Y515 PolarHBondContact O-N 3.47Å; Y515-V519 HydrophobicContact CD2-CB 4.31Å; Y515-V519 HydrophobicContact CD2-CG1 3.44Å; Y515-V519 VanDerWaalsContact CD2-CG1 3.44Å; Y515-V519 HydrophobicContact CD2-CG2 3.88Å; Y515-V519 HydrophobicContact CE2-CG1 4.19Å; Y515-V519 HydrophobicContact CE2-CG2 4.05Å; Y515-V519 HydrophobicContact CG-CG1 3.63Å
516	G	96.8	Very high	95.6	Very high	15 Å²	15	24.7 Å²	24.7	16%	0.155	13%	0.128	C	C	.	.			trans	-133.3	-141.6	176.1	0	0	0	0	0	110.7	S518 V519	G516-S518 PolarHBondContact O-N 3.01Å; G516-V519 PolarHBondContact O-N 3.38Å
517	K	96.9	Very high	95.6	Very high	53 Å²	53	24.6 Å²	24.6	23%	0.23	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-11.5	179.3	72.1	-170.9	-179.5	-161.2	0	115.2	H455 I460 D491 V519 D520	H455-K517 HydrophobicContact CB-CD 4.43Å; I460-K517 HydrophobicContact CG2-CB 3.88Å; D491-K517 IonicContact OD1-NZ 3.32Å; D491-K517 PolarHBondContact OD1-NZ 3.42Å; K517-V519 PolarHBondContact O-N 3.31Å; K517-D520 PolarHBondContact O-N 3Å
518	S	98	Very high	95.7	Very high	13 Å²	13	24.3 Å²	24.3	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-30.4	179.4	61.5	0	0	0	0	113.9	E508 G516 W521 W522 R580 C583	E508-S518 WeakPolarHBondContact OE1-CB 3.15Å; E508-S518 PolarHBondContact OE1-OG 2.87Å; G516-S518 PolarHBondContact O-N 3.01Å; S518-W521 PolarHBondContact O-N 3.11Å; S518-W522 PolarHBondContact O-N 2.9Å; S518-W522 VanDerWaalsContact O-N 3.15Å; S518-R580 PolarHBondContact O-NH1 3.05Å; S518-C583 VanDerWaalsContact CA-SG 3.51Å; S518-C583 WeakPolarHBondContact CB-SG 3.35Å
519	V	98.4	Very high	95.8	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-71	-32.8	-177.4	-55.5	0	0	0	0	112	R462 A506 E508 I509 Y515 G516 K517 W522 A523	R462-V519 HydrophobicContact CG-CG2 4.16Å; A506-V519 HydrophobicContact CB-CB 4Å; A506-V519 HydrophobicContact CB-CG1 3.89Å; E508-V519 HydrophobicContact CG-CG1 4Å; I509-V519 HydrophobicContact CD1-CB 4.01Å; I509-V519 HydrophobicContact CD1-CG1 3.78Å; I509-V519 HydrophobicContact CD1-CG2 4.49Å; I509-V519 HydrophobicContact CG1-CG1 3.81Å; Y515-V519 HydrophobicContact CD2-CB 4.31Å; Y515-V519 HydrophobicContact CD2-CG1 3.44Å; Y515-V519 VanDerWaalsContact CD2-CG1 3.44Å; Y515-V519 HydrophobicContact CD2-CG2 3.88Å; Y515-V519 HydrophobicContact CE2-CG1 4.19Å; Y515-V519 HydrophobicContact CE2-CG2 4.05Å; Y515-V519 HydrophobicContact CG-CG1 3.63Å; G516-V519 PolarHBondContact O-N 3.38Å; K517-V519 PolarHBondContact O-N 3.31Å; V519-W522 PolarHBondContact O-N 3.22Å; V519-A523 PolarHBondContact O-N 3.28Å
520	D	98.6	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-38.7	175.6	-67.7	-17.1	0	0	0	110.8	L451 H455 I460 Y461 R462 K517 W522 A523 Y524	L451-D520 HydrophobicContact CD2-CB 4.42Å; H455-D520 IonicContact CD2-OD2 2.68Å; H455-D520 IonicContact CE1-OD2 2.69Å; H455-D520 IonicContact NE2-OD2 3.86Å; H455-D520 PolarHBondContact NE2-OD2 2.7Å; I460-D520 WeakPolarHBondContact CA-OD2 3.23Å; Y461-D520 PolarHBondContact N-OD1 3.37Å; Y461-D520 PolarHBondContact N-OD2 3.23Å; R462-D520 WeakPolarHBondContact CA-OD1 3.37Å; R462-D520 PolarHBondContact N-OD1 3Å; K517-D520 PolarHBondContact O-N 3Å; D520-W522 VanDerWaalsContact C-N 3.33Å; D520-W522 PolarHBondContact O-N 2.78Å; D520-A523 PolarHBondContact O-N 3.3Å; D520-Y524 WeakPolarHBondContact O-CB 2.98Å; D520-Y524 PolarHBondContact O-N 2.84Å
521	W	98.7	Very high	96.3	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-68.2	-31.9	176.1	-69.5	119.4	0	0	0	113.3	L451 F452 H455 S518 Y524 G525 L572 G582 V591	L451-W521 HydrophobicContact CB-CH2 4.35Å; L451-W521 HydrophobicContact CD1-CH2 4.44Å; L451-W521 HydrophobicContact CD1-CZ3 4.22Å; F452-W521 AromaticContact CD1-CH2 3.74Å; F452-W521 HydrophobicContact CD1-CH2 3.74Å; F452-W521 AromaticContact CD1-CZ2 3.74Å; F452-W521 HydrophobicContact CD1-CZ2 3.74Å; F452-W521 AromaticContact CE1-CH2 3.19Å; F452-W521 HydrophobicContact CE1-CH2 3.19Å; F452-W521 AromaticContact CE1-CZ2 3.44Å; F452-W521 HydrophobicContact CE1-CZ2 3.44Å; F452-W521 VanDerWaalsContact CE1-CZ2 3.44Å; F452-W521 HydrophobicContact CE1-CZ3 4.37Å; F452-W521 AromaticContact CZ-CH2 3.9Å; F452-W521 HydrophobicContact CZ-CH2 3.9Å; H455-W521 AromaticContact CE1-CE2 3.93Å; H455-W521 AromaticContact CE1-NE1 3.62Å; H455-W521 AromaticContact ND1-CE2 3.98Å; H455-W521 AromaticContact ND1-NE1 3.6Å; S518-W521 PolarHBondContact O-N 3.11Å; W521-Y524 AromaticContact CE3-CD1 3.73Å; W521-Y524 HydrophobicContact CE3-CD1 3.73Å; W521-Y524 HydrophobicContact CE3-CE1 4.34Å; W521-Y524 HydrophobicContact CE3-CG 4.17Å; W521-Y524 AromaticContact CZ3-CD1 3.79Å; W521-Y524 HydrophobicContact CZ3-CD1 3.79Å; W521-Y524 HydrophobicContact CZ3-CE1 4.02Å; W521-Y524 HydrophobicContact CZ3-CG 4.21Å; W521-G525 PolarHBondContact O-N 2.98Å; W521-G525 VanDerWaalsContact O-N 3.1Å; W521-L572 HydrophobicContact CB-CD2 4.33Å; W521-L572 HydrophobicContact CE3-CD2 4.05Å; W521-G582 PolarHBondContact NE1-O 3.34Å; W521-G582 VanDerWaalsContact NE1-O 3.14Å; W521-V591 HydrophobicContact CE3-CG2 4.32Å; W521-V591 HydrophobicContact CH2-CG1 4.42Å; W521-V591 HydrophobicContact CH2-CG2 4.26Å; W521-V591 HydrophobicContact CZ3-CG1 4.21Å; W521-V591 HydrophobicContact CZ3-CG2 4.1Å
522	W	98.8	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.4	-54.1	169.9	172.1	-87	0	0	0	111	Y504 I505 A506 P507 S518 V519 D520 Y524 G525 V526 F538 I550 M573 K575	Y504-W522 VanDerWaalsContact O-CD1 3.29Å; I505-W522 PolarHBondContact O-NE1 3.31Å; A506-W522 VanDerWaalsContact CA-CD1 3.45Å; A506-W522 HydrophobicContact CB-CB 3.87Å; A506-W522 HydrophobicContact CB-CD2 4.43Å; A506-W522 HydrophobicContact CB-CG 3.74Å; P507-W522 VanDerWaalsContact CD-CD2 3.44Å; P507-W522 VanDerWaalsContact CD-CE2 3.47Å; P507-W522 HydrophobicContact CG-CD2 4.28Å; P507-W522 HydrophobicContact CG-CE3 3.97Å; P507-W522 HydrophobicContact CG-CH2 3.47Å; P507-W522 VanDerWaalsContact CG-CH2 3.47Å; P507-W522 HydrophobicContact CG-CZ2 3.83Å; P507-W522 HydrophobicContact CG-CZ3 3.55Å; S518-W522 PolarHBondContact O-N 2.9Å; S518-W522 VanDerWaalsContact O-N 3.15Å; V519-W522 PolarHBondContact O-N 3.22Å; D520-W522 VanDerWaalsContact C-N 3.33Å; D520-W522 PolarHBondContact O-N 2.78Å; W522-Y524 PolarHBondContact O-N 3.25Å; W522-G525 WeakPolarHBondContact O-CA 3.3Å; W522-G525 PolarHBondContact O-N 2.95Å; W522-V526 PolarHBondContact O-N 2.84Å; W522-F538 AromaticContact CH2-CE2 3.76Å; W522-F538 HydrophobicContact CH2-CE2 3.76Å; W522-F538 AromaticContact CH2-CZ 3.65Å; W522-F538 HydrophobicContact CH2-CZ 3.65Å; W522-F538 HydrophobicContact CZ2-CD2 4.28Å; W522-F538 AromaticContact CZ2-CE2 3.39Å; W522-F538 HydrophobicContact CZ2-CE2 3.39Å; W522-F538 AromaticContact CZ2-CZ 3.8Å; W522-F538 HydrophobicContact CZ2-CZ 3.8Å; W522-I550 HydrophobicContact CH2-CG2 4.24Å; W522-I550 HydrophobicContact CZ2-CG2 3.7Å; W522-M573 HydrophobicContact CE3-CB 4.43Å; W522-M573 HydrophobicContact CH2-CB 4.43Å; W522-M573 HydrophobicContact CZ3-CB 4.1Å; W522-M573 WeakPolarHBondContact CZ3-O 3.08Å; W522-K575 HydrophobicContact CH2-CG 4.45Å; W522-K575 HydrophobicContact CZ3-CG 4.33Å
523	A	98.7	Very high	97.2	Very high	6 Å²	6	14.2 Å²	14.2	5%	0.05	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-36.2	179.5	0	0	0	0	0	111.7	L464 Y504 V519 D520 G525 V526 L527	L464-A523 HydrophobicContact CB-CB 4.02Å; Y504-A523 HydrophobicContact CD1-CB 4.41Å; V519-A523 PolarHBondContact O-N 3.28Å; D520-A523 PolarHBondContact O-N 3.3Å; A523-G525 VanDerWaalsContact C-N 3.33Å; A523-G525 PolarHBondContact O-N 3.08Å; A523-V526 PolarHBondContact O-N 2.75Å; A523-L527 WeakPolarHBondContact O-CB 3.49Å; A523-L527 PolarHBondContact O-N 2.76Å
524	Y	98.8	Very high	97.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-38.4	173	178.6	-106.8	0	0	0	112.3	A444 I447 L451 L464 D520 W521 W522 L528 L572 F597	A444-Y524 HydrophobicContact CB-CE2 4.26Å; A444-Y524 WeakPolarHBondContact CB-OH 3.37Å; A444-Y524 WeakPolarHBondContact O-CE2 3.46Å; A444-Y524 PolarHBondContact O-OH 2.87Å; I447-Y524 HydrophobicContact CB-CE2 4.15Å; I447-Y524 HydrophobicContact CG2-CD2 3.86Å; I447-Y524 HydrophobicContact CG2-CE2 3.94Å; L451-Y524 HydrophobicContact CD1-CD2 4.1Å; L451-Y524 HydrophobicContact CD1-CG 4.29Å; L464-Y524 HydrophobicContact CD2-CD2 4.16Å; D520-Y524 WeakPolarHBondContact O-CB 2.98Å; D520-Y524 PolarHBondContact O-N 2.84Å; W521-Y524 AromaticContact CE3-CD1 3.73Å; W521-Y524 HydrophobicContact CE3-CD1 3.73Å; W521-Y524 HydrophobicContact CE3-CE1 4.34Å; W521-Y524 HydrophobicContact CE3-CG 4.17Å; W521-Y524 AromaticContact CZ3-CD1 3.79Å; W521-Y524 HydrophobicContact CZ3-CD1 3.79Å; W521-Y524 HydrophobicContact CZ3-CE1 4.02Å; W521-Y524 HydrophobicContact CZ3-CG 4.21Å; W522-Y524 PolarHBondContact O-N 3.25Å; Y524-L528 VanDerWaalsContact O-CB 3.28Å; Y524-L528 WeakPolarHBondContact O-CB 3.26Å; Y524-L528 PolarHBondContact O-N 3.25Å; Y524-L572 HydrophobicContact CD1-CD1 3.51Å; Y524-L572 HydrophobicContact CD1-CD2 3.91Å; Y524-L572 HydrophobicContact CD1-CG 4.34Å; Y524-L572 HydrophobicContact CE1-CD1 3.73Å; Y524-L572 HydrophobicContact CE1-CD2 4.43Å; Y524-F597 VanDerWaalsContact OH-CZ 3.3Å; Y524-F597 WeakPolarHBondContact OH-CZ 3.08Å
525	G	98.8	Very high	96.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65	-41.9	172.4	0	0	0	0	0	113.6	W521 W522 A523 Y529	W521-G525 PolarHBondContact O-N 2.98Å; W521-G525 VanDerWaalsContact O-N 3.1Å; W522-G525 WeakPolarHBondContact O-CA 3.3Å; W522-G525 PolarHBondContact O-N 2.95Å; A523-G525 VanDerWaalsContact C-N 3.33Å; A523-G525 PolarHBondContact O-N 3.08Å; G525-Y529 WeakPolarHBondContact O-CB 3.42Å; G525-Y529 PolarHBondContact O-N 3.08Å
526	V	98.6	Very high	96.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-50.6	174.8	174.5	0	0	0	0	110.4	Y504 W522 A523 L528 Y529 E530 P537 M573	Y504-V526 HydrophobicContact CD1-CB 3.95Å; Y504-V526 HydrophobicContact CD1-CG1 3.68Å; Y504-V526 HydrophobicContact CE1-CB 4.27Å; Y504-V526 HydrophobicContact CE1-CG1 3.78Å; Y504-V526 HydrophobicContact CG-CG1 4.12Å; W522-V526 PolarHBondContact O-N 2.84Å; A523-V526 PolarHBondContact O-N 2.75Å; V526-L528 VanDerWaalsContact C-N 3.34Å; V526-L528 PolarHBondContact O-N 3.15Å; V526-Y529 WeakPolarHBondContact O-CB 3.21Å; V526-Y529 PolarHBondContact O-N 3.1Å; V526-Y529 VanDerWaalsContact O-N 3.16Å; V526-E530 PolarHBondContact O-N 3.49Å; V526-P537 HydrophobicContact CB-CG 4.26Å; V526-P537 HydrophobicContact CG1-CG 3.86Å; V526-P537 HydrophobicContact CG2-CG 4.05Å; V526-M573 HydrophobicContact CG2-SD 4.26Å
527	L	98.4	Very high	96.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.9	-45.9	177.5	-168.9	150.7	0	0	0	111.6	I447 L464 L466 V469 Y504 A523 E530 M531	I447-L527 HydrophobicContact CD1-CD2 3.72Å; L464-L527 HydrophobicContact CD1-CD1 3.99Å; L464-L527 HydrophobicContact CD2-CD1 4.34Å; L464-L527 HydrophobicContact CG-CD1 3.78Å; L466-L527 HydrophobicContact CD2-CD2 4.49Å; L466-L527 HydrophobicContact CD2-CG 4.17Å; V469-L527 HydrophobicContact CG2-CD1 4.06Å; Y504-L527 HydrophobicContact CE1-CB 3.87Å; Y504-L527 HydrophobicContact CE1-CG 4.46Å; A523-L527 WeakPolarHBondContact O-CB 3.49Å; A523-L527 PolarHBondContact O-N 2.76Å; L527-E530 PolarHBondContact O-N 3.23Å; L527-M531 HydrophobicContact CD2-CE 3.65Å; L527-M531 HydrophobicContact CD2-CG 4.19Å; L527-M531 HydrophobicContact CD2-SD 3.95Å; L527-M531 WeakPolarHBondContact O-CG 3.44Å; L527-M531 PolarHBondContact O-N 3.22Å
528	L	98.7	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.5	-42	178	178.3	56.5	0	0	0	112.2	A440 A444 Y524 V526 E530 M531 L532 I568 L572 F596	A440-L528 HydrophobicContact CB-CD1 4.42Å; A444-L528 HydrophobicContact CB-CD1 3.94Å; Y524-L528 VanDerWaalsContact O-CB 3.28Å; Y524-L528 WeakPolarHBondContact O-CB 3.26Å; Y524-L528 PolarHBondContact O-N 3.25Å; V526-L528 VanDerWaalsContact C-N 3.34Å; V526-L528 PolarHBondContact O-N 3.15Å; L528-E530 VanDerWaalsContact C-N 3.34Å; L528-M531 HydrophobicContact CD1-CE 3.86Å; L528-M531 PolarHBondContact O-N 2.58Å; L528-L532 HydrophobicContact CD1-CD1 3.85Å; L528-L532 HydrophobicContact CD1-CG 4.19Å; L528-L532 HydrophobicContact CG-CD1 3.95Å; L528-L532 WeakPolarHBondContact O-CD1 3.17Å; L528-L532 VanDerWaalsContact O-CG 3.31Å; L528-L532 WeakPolarHBondContact O-CG 3.43Å; L528-L532 PolarHBondContact O-N 2.68Å; L528-L532 VanDerWaalsContact O-N 3.15Å; L528-I568 HydrophobicContact CD2-CD1 4.07Å; L528-I568 HydrophobicContact CD2-CG1 4.21Å; L528-I568 HydrophobicContact CD2-CG2 3.66Å; L528-L572 HydrophobicContact CD2-CD1 4.22Å; L528-F596 HydrophobicContact CD1-CE1 3.86Å; L528-F596 HydrophobicContact CD1-CZ 3.82Å; L528-F596 HydrophobicContact CD2-CD1 4.47Å; L528-F596 HydrophobicContact CD2-CE1 3.97Å; L528-F596 HydrophobicContact CD2-CZ 4.35Å
529	Y	98.4	Very high	95.5	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.02	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-45.2	175.2	178	-85.9	0	0	0	111.1	G525 V526 M531 L532 A533 Q535 P537 V555 S556 Y557 M573	G525-Y529 WeakPolarHBondContact O-CB 3.42Å; G525-Y529 PolarHBondContact O-N 3.08Å; V526-Y529 WeakPolarHBondContact O-CB 3.21Å; V526-Y529 PolarHBondContact O-N 3.1Å; V526-Y529 VanDerWaalsContact O-N 3.16Å; Y529-M531 PolarHBondContact O-N 3.09Å; Y529-L532 PolarHBondContact O-N 3.1Å; Y529-L532 VanDerWaalsContact O-N 3.14Å; Y529-A533 HydrophobicContact CD1-CB 4.04Å; Y529-A533 HydrophobicContact CE1-CB 3.63Å; Y529-A533 HydrophobicContact CE2-CB 4.17Å; Y529-A533 HydrophobicContact CG-CB 4.49Å; Y529-A533 VanDerWaalsContact O-CB 3.25Å; Y529-A533 WeakPolarHBondContact O-CB 3.34Å; Y529-A533 PolarHBondContact O-N 3.13Å; Y529-Q535 WeakPolarHBondContact CD1-O 3.31Å; Y529-Q535 HydrophobicContact CE1-CG 4.37Å; Y529-Q535 WeakPolarHBondContact CE1-O 3.4Å; Y529-P537 HydrophobicContact CD1-CB 3.59Å; Y529-P537 HydrophobicContact CD1-CG 4.04Å; Y529-P537 HydrophobicContact CD2-CB 4.42Å; Y529-P537 VanDerWaalsContact CE1-CA 3.42Å; Y529-P537 HydrophobicContact CE1-CB 3.82Å; Y529-P537 HydrophobicContact CG-CB 3.91Å; Y529-P537 HydrophobicContact CG-CG 4.43Å; Y529-V555 HydrophobicContact CD2-CG1 3.97Å; Y529-V555 HydrophobicContact CE2-CG1 3.66Å; Y529-S556 WeakPolarHBondContact CE2-O 3.41Å; Y529-S556 PolarHBondContact OH-O 2.91Å; Y529-Y557 HydrophobicContact CD2-CD1 4.34Å; Y529-Y557 HydrophobicContact CD2-CE1 4.2Å; Y529-Y557 HydrophobicContact CE2-CD1 4.16Å; Y529-Y557 HydrophobicContact CE2-CE1 4.36Å; Y529-M573 HydrophobicContact CD2-CE 4.02Å; Y529-M573 HydrophobicContact CG-CE 4.14Å
530	E	96.4	Very high	94.4	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-44.4	177.6	-78.2	-175.6	-146.8	0	0	112.3	L466 Y504 V526 L527 L528 L532 A533 G534 P536	L466-E530 HydrophobicContact CD1-CB 4.26Å; L466-E530 WeakPolarHBondContact CD1-OE2 3.31Å; Y504-E530 PolarHBondContact OH-OE1 2.93Å; Y504-E530 PolarHBondContact OH-OE2 3.49Å; V526-E530 PolarHBondContact O-N 3.49Å; L527-E530 PolarHBondContact O-N 3.23Å; L528-E530 VanDerWaalsContact C-N 3.34Å; E530-L532 VanDerWaalsContact C-N 3.26Å; E530-L532 PolarHBondContact O-N 2.79Å; E530-A533 PolarHBondContact O-N 3Å; E530-G534 VanDerWaalsContact O-CA 3.3Å; E530-G534 WeakPolarHBondContact O-CA 3.48Å; E530-G534 PolarHBondContact O-N 2.65Å; E530-P536 HydrophobicContact CG-CB 4.48Å
531	M	97.4	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-39.3	174.7	-71.9	-165.1	-62.3	0	0	112.6	L425 I429 F435 A440 Y443 A444 L466 L527 L528 Y529	L425-M531 HydrophobicContact CD1-SD 4.11Å; I429-M531 HydrophobicContact CD1-CG 4.16Å; F435-M531 WeakPolarHBondContact CB-O 3.5Å; F435-M531 HydrophobicContact CD2-CB 3.86Å; F435-M531 HydrophobicContact CD2-CG 3.74Å; F435-M531 HydrophobicContact CD2-SD 3.95Å; F435-M531 HydrophobicContact CE2-CG 4.01Å; F435-M531 HydrophobicContact CE2-SD 4.14Å; F435-M531 PolarHBondContact N-O 3.03Å; A440-M531 HydrophobicContact CB-CB 4.03Å; A440-M531 HydrophobicContact CB-CE 4.4Å; Y443-M531 HydrophobicContact CD2-SD 4.28Å; A444-M531 HydrophobicContact CB-CE 4Å; L466-M531 HydrophobicContact CD2-CG 4.21Å; L527-M531 HydrophobicContact CD2-CE 3.65Å; L527-M531 HydrophobicContact CD2-CG 4.19Å; L527-M531 HydrophobicContact CD2-SD 3.95Å; L527-M531 WeakPolarHBondContact O-CG 3.44Å; L527-M531 PolarHBondContact O-N 3.22Å; L528-M531 HydrophobicContact CD1-CE 3.86Å; L528-M531 PolarHBondContact O-N 2.58Å; Y529-M531 PolarHBondContact O-N 3.09Å
532	L	97.5	Very high	91.4	Very high	11 Å²	11	28.1 Å²	28.1	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-83.8	-35.1	-175.9	-69.8	167.5	0	0	0	113.7	E437 A440 L528 Y529 E530 L561 A565 F596	E437-L532 HydrophobicContact CB-CD2 4.17Å; E437-L532 HydrophobicContact CG-CD2 4.12Å; A440-L532 HydrophobicContact CB-CD2 3.66Å; A440-L532 HydrophobicContact CB-CG 4.07Å; L528-L532 HydrophobicContact CD1-CD1 3.85Å; L528-L532 HydrophobicContact CD1-CG 4.19Å; L528-L532 HydrophobicContact CG-CD1 3.95Å; L528-L532 WeakPolarHBondContact O-CD1 3.17Å; L528-L532 VanDerWaalsContact O-CG 3.31Å; L528-L532 WeakPolarHBondContact O-CG 3.43Å; L528-L532 PolarHBondContact O-N 2.68Å; L528-L532 VanDerWaalsContact O-N 3.15Å; Y529-L532 PolarHBondContact O-N 3.1Å; Y529-L532 VanDerWaalsContact O-N 3.14Å; E530-L532 VanDerWaalsContact C-N 3.26Å; E530-L532 PolarHBondContact O-N 2.79Å; L532-L561 HydrophobicContact CB-CD2 4.44Å; L532-A565 HydrophobicContact CD1-CB 3.99Å; L532-F596 HydrophobicContact CD1-CE2 4.4Å; L532-F596 HydrophobicContact CD1-CZ 4.29Å; L532-F596 HydrophobicContact CD2-CZ 4.5Å
533	A	93.6	Very high	90.3	Very high	15 Å²	15	31.6 Å²	31.6	12%	0.124	18%	0.176	C	C	.	.	H	α-helix	trans	-101.1	-26.6	-172.6	0	0	0	0	0	113.1	Y529 E530 Q535 P558	Y529-A533 HydrophobicContact CD1-CB 4.04Å; Y529-A533 HydrophobicContact CE1-CB 3.63Å; Y529-A533 HydrophobicContact CE2-CB 4.17Å; Y529-A533 HydrophobicContact CG-CB 4.49Å; Y529-A533 VanDerWaalsContact O-CB 3.25Å; Y529-A533 WeakPolarHBondContact O-CB 3.34Å; Y529-A533 PolarHBondContact O-N 3.13Å; E530-A533 PolarHBondContact O-N 3Å; A533-Q535 VanDerWaalsContact C-N 3.31Å; A533-Q535 HydrophobicContact CB-CG 4.18Å; A533-P558 HydrophobicContact CB-CG 4.44Å
534	G	88.1	Confident	89.3	Confident	25 Å²	25	37.3 Å²	37.3	26%	0.258	21%	0.205	S	C	.	.	S	Bend	trans	77.6	12.9	-175.3	0	0	0	0	0	114.5	G433 E530	G433-G534 WeakPolarHBondContact O-CA 3.27Å; E530-G534 VanDerWaalsContact O-CA 3.3Å; E530-G534 WeakPolarHBondContact O-CA 3.48Å; E530-G534 PolarHBondContact O-N 2.65Å
535	Q	87.5	Confident	88.5	Confident	100 Å²	100	41.3 Å²	41.3	47%	0.467	22%	0.224	S	C	.	.	S	Bend	trans	-152	155.2	-178	64.3	-176	-2	0	0	109.2	Y529 A533	Y529-Q535 WeakPolarHBondContact CD1-O 3.31Å; Y529-Q535 HydrophobicContact CE1-CG 4.37Å; Y529-Q535 WeakPolarHBondContact CE1-O 3.4Å; A533-Q535 VanDerWaalsContact C-N 3.31Å; A533-Q535 HydrophobicContact CB-CG 4.18Å
536	P	92.1	Very high	88	Confident	38 Å²	38	41.9 Å²	41.9	25%	0.247	23%	0.227	C	C	.	.			trans	-66.9	153.3	177.8	28.9	-35.8	0	0	0	111.9	E530 F538	E530-P536 HydrophobicContact CG-CB 4.48Å; P536-F538 VanDerWaalsContact C-N 3.34Å; P536-F538 WeakPolarHBondContact CB-O 3.5Å
537	P	92.3	Very high	87.4	Confident	15 Å²	15	42.9 Å²	42.9	10%	0.097	23%	0.231	C	C	.	.	S	Bend	trans	-75.7	-22.7	179.7	27	-30.5	0	0	0	113.6	V526 Y529 V555 M573	V526-P537 HydrophobicContact CB-CG 4.26Å; V526-P537 HydrophobicContact CG1-CG 3.86Å; V526-P537 HydrophobicContact CG2-CG 4.05Å; Y529-P537 HydrophobicContact CD1-CB 3.59Å; Y529-P537 HydrophobicContact CD1-CG 4.04Å; Y529-P537 HydrophobicContact CD2-CB 4.42Å; Y529-P537 VanDerWaalsContact CE1-CA 3.42Å; Y529-P537 HydrophobicContact CE1-CB 3.82Å; Y529-P537 HydrophobicContact CG-CB 3.91Å; Y529-P537 HydrophobicContact CG-CG 4.43Å; P537-V555 HydrophobicContact CB-CG1 3.77Å; P537-V555 HydrophobicContact CB-CG2 4.08Å; P537-M573 HydrophobicContact CB-CE 4.42Å; P537-M573 HydrophobicContact CB-SD 3.79Å; P537-M573 HydrophobicContact CG-SD 3.81Å
538	F	93.3	Very high	87	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.026	25%	0.254	C	S	.	.			trans	-127.7	151.5	177.4	-50.8	-78.1	0	0	0	108.6	W522 P536 L546 S549 I550 V555 M573	W522-F538 AromaticContact CH2-CE2 3.76Å; W522-F538 HydrophobicContact CH2-CE2 3.76Å; W522-F538 AromaticContact CH2-CZ 3.65Å; W522-F538 HydrophobicContact CH2-CZ 3.65Å; W522-F538 HydrophobicContact CZ2-CD2 4.28Å; W522-F538 AromaticContact CZ2-CE2 3.39Å; W522-F538 HydrophobicContact CZ2-CE2 3.39Å; W522-F538 AromaticContact CZ2-CZ 3.8Å; W522-F538 HydrophobicContact CZ2-CZ 3.8Å; P536-F538 VanDerWaalsContact C-N 3.34Å; P536-F538 WeakPolarHBondContact CB-O 3.5Å; F538-L546 HydrophobicContact CB-CD1 4.06Å; F538-S549 WeakPolarHBondContact CD1-O 3.35Å; F538-I550 HydrophobicContact CB-CG1 3.82Å; F538-I550 HydrophobicContact CD1-CG1 4.36Å; F538-I550 HydrophobicContact CD2-CG1 3.72Å; F538-I550 HydrophobicContact CE2-CG1 4.42Å; F538-I550 HydrophobicContact CG-CB 4.44Å; F538-I550 HydrophobicContact CG-CG1 3.7Å; F538-V555 HydrophobicContact CE1-CG2 3.67Å; F538-V555 HydrophobicContact CE2-CG2 4.1Å; F538-V555 HydrophobicContact CZ-CG2 3.36Å; F538-M573 HydrophobicContact CE2-SD 4.4Å
539	D	83.5	Confident	86.7	Confident	125 Å²	125	48.2 Å²	48.2	67%	0.668	26%	0.257	S	S	*	.			trans	-146	157.1	-179.5	-164.9	8.8	0	0	0	108.7	S549	D539-S549 WeakPolarHBondContact O-CB 3.23Å; D539-S549 PolarHBondContact O-OG 2.78Å
540	G	74.9	Confident	86.5	Confident	25 Å²	25	48 Å²	48	26%	0.258	26%	0.256	S	S	.	.			trans	-171	148.2	-179.6	0	0	0	0	0	111.2	D542	G540-D542 VanDerWaalsContact C-N 3.3Å
541	E	63.7	Low	86.3	Confident	139 Å²	139	51.1 Å²	51.1	65%	0.65	27%	0.272	S	S	*	.	S	Bend	trans	-75.6	-23.4	-177.6	-59.3	-170.5	173.4	0	0	112.8	E545	E541-E545 VanDerWaalsContact CB-OE2 3.29Å; E541-E545 WeakPolarHBondContact CB-OE2 3.11Å; E541-E545 WeakPolarHBondContact CG-OE2 3.45Å; E541-E545 PolarHBondContact N-OE2 2.75Å
542	D	69.4	Low	86	Confident	72 Å²	72	56.8 Å²	56.8	39%	0.385	30%	0.298	S	S	.	.	S	Bend	trans	-138	176.1	170.5	66.3	44.2	0	0	0	111.7	G540 D544 E545 L546	G540-D542 VanDerWaalsContact C-N 3.3Å; D542-D544 VanDerWaalsContact C-N 3.3Å; D542-D544 PolarHBondContact O-N 2.62Å; D542-D544 WeakPolarHBondContact OD1-CA 3.29Å; D542-D544 WeakPolarHBondContact OD1-CB 3.45Å; D542-D544 PolarHBondContact OD1-N 3.29Å; D542-E545 PolarHBondContact O-N 2.95Å; D542-E545 PolarHBondContact OD1-N 3.47Å; D542-L546 WeakPolarHBondContact O-CB 3.22Å; D542-L546 PolarHBondContact O-N 3.05Å
543	E	77	Confident	85.7	Confident	73 Å²	73	61.4 Å²	61.4	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-36.3	-177.8	-172.8	179	144.8	0	0	112.4	L546 F547	E543-L546 PolarHBondContact O-N 2.94Å; E543-F547 HydrophobicContact CG-CD1 4.35Å; E543-F547 HydrophobicContact CG-CD2 3.96Å; E543-F547 HydrophobicContact CG-CE1 3.78Å; E543-F547 HydrophobicContact CG-CE2 3.35Å; E543-F547 HydrophobicContact CG-CG 4.43Å; E543-F547 HydrophobicContact CG-CZ 3.25Å; E543-F547 VanDerWaalsContact O-CB 3.27Å; E543-F547 WeakPolarHBondContact O-CB 3.44Å; E543-F547 WeakPolarHBondContact O-CD1 3.4Å; E543-F547 WeakPolarHBondContact O-CD2 3.39Å; E543-F547 WeakPolarHBondContact O-CG 3.14Å; E543-F547 PolarHBondContact O-N 2.82Å; E543-F547 WeakPolarHBondContact OE1-CE2 2.97Å; E543-F547 WeakPolarHBondContact OE1-CZ 3.48Å
544	D	76.4	Confident	85.6	Confident	126 Å²	126	67.9 Å²	67.9	67%	0.674	35%	0.352	S	S	*	.	H	α-helix	trans	-70.6	-41.2	-179.8	-71.4	-34.3	0	0	0	110.4	D542 F547 Q548	D542-D544 VanDerWaalsContact C-N 3.3Å; D542-D544 PolarHBondContact O-N 2.62Å; D542-D544 WeakPolarHBondContact OD1-CA 3.29Å; D542-D544 WeakPolarHBondContact OD1-CB 3.45Å; D542-D544 PolarHBondContact OD1-N 3.29Å; D544-F547 PolarHBondContact O-N 3.43Å; D544-Q548 WeakPolarHBondContact O-CB 3.22Å; D544-Q548 PolarHBondContact O-N 3.03Å
545	E	82.5	Confident	85.9	Confident	84 Å²	84	67.7 Å²	67.7	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-65.7	-42.9	173.9	-72.3	-169.3	172.7	0	0	112.4	E541 D542 F547 Q548 S549	E541-E545 VanDerWaalsContact CB-OE2 3.29Å; E541-E545 WeakPolarHBondContact CB-OE2 3.11Å; E541-E545 WeakPolarHBondContact CG-OE2 3.45Å; E541-E545 PolarHBondContact N-OE2 2.75Å; D542-E545 PolarHBondContact O-N 2.95Å; D542-E545 PolarHBondContact OD1-N 3.47Å; E545-F547 VanDerWaalsContact C-N 3.33Å; E545-F547 PolarHBondContact O-N 2.89Å; E545-Q548 PolarHBondContact O-N 3.24Å; E545-S549 VanDerWaalsContact O-CB 3.28Å; E545-S549 WeakPolarHBondContact O-CB 3.48Å; E545-S549 PolarHBondContact O-N 2.96Å
546	L	87.5	Confident	86.3	Confident	13 Å²	13	67.2 Å²	67.2	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-45.3	175.4	174.8	61.4	0	0	0	110.5	P502 F538 D542 E543 S549 I550	P502-L546 HydrophobicContact CB-CD2 3.82Å; F538-L546 HydrophobicContact CB-CD1 4.06Å; D542-L546 WeakPolarHBondContact O-CB 3.22Å; D542-L546 PolarHBondContact O-N 3.05Å; E543-L546 PolarHBondContact O-N 2.94Å; L546-S549 WeakPolarHBondContact O-CA 3.46Å; L546-S549 VanDerWaalsContact O-CB 3.26Å; L546-S549 WeakPolarHBondContact O-CB 3.33Å; L546-S549 PolarHBondContact O-N 3.4Å; L546-S549 VanDerWaalsContact O-N 3.14Å; L546-I550 HydrophobicContact CD1-CD1 4.24Å; L546-I550 HydrophobicContact CD1-CG1 4.46Å; L546-I550 HydrophobicContact CG-CD1 4.09Å; L546-I550 WeakPolarHBondContact O-CG1 3.38Å; L546-I550 PolarHBondContact O-N 2.86Å
547	F	87.5	Confident	86.5	Confident	20 Å²	20	67.8 Å²	67.8	9%	0.088	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-40.6	177.2	-70.3	-6.8	0	0	0	112.2	F498 P502 I505 I510 E543 D544 E545 S549 I550 M551	F498-F547 HydrophobicContact CE1-CE2 4.43Å; F498-F547 HydrophobicContact CE1-CZ 4.35Å; F498-F547 AromaticContact CZ-CE2 3.71Å; F498-F547 HydrophobicContact CZ-CE2 3.71Å; F498-F547 AromaticContact CZ-CZ 3.86Å; F498-F547 HydrophobicContact CZ-CZ 3.86Å; P502-F547 HydrophobicContact CB-CE1 4.11Å; I505-F547 HydrophobicContact CG2-CD1 4.07Å; I505-F547 HydrophobicContact CG2-CE1 3.69Å; I505-F547 HydrophobicContact CG2-CZ 4.49Å; I510-F547 HydrophobicContact CD1-CB 4.03Å; I510-F547 HydrophobicContact CD1-CD1 3.8Å; I510-F547 HydrophobicContact CD1-CG 4Å; I510-F547 HydrophobicContact CG1-CB 4.35Å; I510-F547 HydrophobicContact CG1-CD1 4.01Å; I510-F547 HydrophobicContact CG1-CD2 4.47Å; I510-F547 HydrophobicContact CG1-CE1 4.45Å; I510-F547 HydrophobicContact CG1-CG 4.02Å; I510-F547 HydrophobicContact CG2-CB 3.85Å; I510-F547 HydrophobicContact CG2-CD2 4.36Å; I510-F547 HydrophobicContact CG2-CG 4.17Å; E543-F547 HydrophobicContact CG-CD1 4.35Å; E543-F547 HydrophobicContact CG-CD2 3.96Å; E543-F547 HydrophobicContact CG-CE1 3.78Å; E543-F547 HydrophobicContact CG-CE2 3.35Å; E543-F547 HydrophobicContact CG-CG 4.43Å; E543-F547 HydrophobicContact CG-CZ 3.25Å; E543-F547 VanDerWaalsContact O-CB 3.27Å; E543-F547 WeakPolarHBondContact O-CB 3.44Å; E543-F547 WeakPolarHBondContact O-CD1 3.4Å; E543-F547 WeakPolarHBondContact O-CD2 3.39Å; E543-F547 WeakPolarHBondContact O-CG 3.14Å; E543-F547 PolarHBondContact O-N 2.82Å; E543-F547 WeakPolarHBondContact OE1-CE2 2.97Å; E543-F547 WeakPolarHBondContact OE1-CZ 3.48Å; D544-F547 PolarHBondContact O-N 3.43Å; E545-F547 VanDerWaalsContact C-N 3.33Å; E545-F547 PolarHBondContact O-N 2.89Å; F547-S549 VanDerWaalsContact C-N 3.29Å; F547-S549 PolarHBondContact O-N 3.04Å; F547-I550 HydrophobicContact CD1-CD1 4.34Å; F547-I550 PolarHBondContact O-N 2.76Å; F547-M551 WeakPolarHBondContact O-CB 3.27Å; F547-M551 WeakPolarHBondContact O-CG 3.25Å; F547-M551 PolarHBondContact O-N 3.07Å
548	Q	89	Confident	86.5	Confident	104 Å²	104	68.9 Å²	68.9	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-41.8	171.9	-173.1	177.4	-1.9	0	0	111	D544 E545 I550 M551 E552	D544-Q548 WeakPolarHBondContact O-CB 3.22Å; D544-Q548 PolarHBondContact O-N 3.03Å; E545-Q548 PolarHBondContact O-N 3.24Å; Q548-I550 PolarHBondContact O-N 3Å; Q548-M551 PolarHBondContact O-N 3.02Å; Q548-M551 VanDerWaalsContact O-N 3.14Å; Q548-E552 HydrophobicContact CG-CG 4.2Å; Q548-E552 WeakPolarHBondContact CG-OE2 3.43Å; Q548-E552 PolarHBondContact NE2-OE2 2.91Å; Q548-E552 WeakPolarHBondContact O-CB 3.09Å; Q548-E552 PolarHBondContact O-N 3Å
549	S	92.7	Very high	86.5	Confident	8 Å²	8	79 Å²	79	6%	0.056	40%	0.402	C	S	.	.	H	α-helix	trans	-60.4	-46.3	178.2	-163.5	0	0	0	0	111.8	F538 D539 E545 L546 F547 M551 E552 H553	F538-S549 WeakPolarHBondContact CD1-O 3.35Å; D539-S549 WeakPolarHBondContact O-CB 3.23Å; D539-S549 PolarHBondContact O-OG 2.78Å; E545-S549 VanDerWaalsContact O-CB 3.28Å; E545-S549 WeakPolarHBondContact O-CB 3.48Å; E545-S549 PolarHBondContact O-N 2.96Å; L546-S549 WeakPolarHBondContact O-CA 3.46Å; L546-S549 VanDerWaalsContact O-CB 3.26Å; L546-S549 WeakPolarHBondContact O-CB 3.33Å; L546-S549 PolarHBondContact O-N 3.4Å; L546-S549 VanDerWaalsContact O-N 3.14Å; F547-S549 VanDerWaalsContact C-N 3.29Å; F547-S549 PolarHBondContact O-N 3.04Å; S549-M551 VanDerWaalsContact C-N 3.31Å; S549-M551 PolarHBondContact O-N 3.02Å; S549-E552 PolarHBondContact O-N 3.01Å; S549-H553 VanDerWaalsContact CA-ND1 3.32Å; S549-H553 WeakPolarHBondContact CA-ND1 3.39Å; S549-H553 WeakPolarHBondContact CB-ND1 3.45Å; S549-H553 WeakPolarHBondContact O-CB 3.41Å; S549-H553 PolarHBondContact O-N 3.47Å; S549-H553 PolarHBondContact OG-ND1 3.08Å
550	I	93.9	Very high	87	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-58.9	-42.4	173.7	-70.1	165.2	0	0	0	111.3	I505 P507 I510 W522 F538 L546 F547 Q548 K575	I505-I550 HydrophobicContact CG2-CD1 3.99Å; P507-I550 HydrophobicContact CG-CG2 3.83Å; I510-I550 HydrophobicContact CD1-CB 3.82Å; I510-I550 HydrophobicContact CD1-CD1 3.91Å; I510-I550 HydrophobicContact CD1-CG1 4.48Å; I510-I550 HydrophobicContact CD1-CG2 3.53Å; W522-I550 HydrophobicContact CH2-CG2 4.24Å; W522-I550 HydrophobicContact CZ2-CG2 3.7Å; F538-I550 HydrophobicContact CB-CG1 3.82Å; F538-I550 HydrophobicContact CD1-CG1 4.36Å; F538-I550 HydrophobicContact CD2-CG1 3.72Å; F538-I550 HydrophobicContact CE2-CG1 4.42Å; F538-I550 HydrophobicContact CG-CB 4.44Å; F538-I550 HydrophobicContact CG-CG1 3.7Å; L546-I550 HydrophobicContact CD1-CD1 4.24Å; L546-I550 HydrophobicContact CD1-CG1 4.46Å; L546-I550 HydrophobicContact CG-CD1 4.09Å; L546-I550 WeakPolarHBondContact O-CG1 3.38Å; L546-I550 PolarHBondContact O-N 2.86Å; F547-I550 HydrophobicContact CD1-CD1 4.34Å; F547-I550 PolarHBondContact O-N 2.76Å; Q548-I550 PolarHBondContact O-N 3Å; I550-K575 WeakPolarHBondContact O-CE 3.04Å; I550-K575 PolarHBondContact O-NZ 3.47Å
551	M	92.3	Very high	88	Confident	74 Å²	74	76.8 Å²	76.8	37%	0.365	39%	0.391	S	S	.	.	H	α-helix	trans	-75.7	-34.3	-177	-69.9	-63.4	-69.2	0	0	113.4	P507 I510 A511 F547 Q548 S549 K575	P507-M551 HydrophobicContact CB-SD 3.61Å; P507-M551 VanDerWaalsContact O-SD 3.42Å; I510-M551 HydrophobicContact CB-CG 4.44Å; I510-M551 HydrophobicContact CB-SD 4.24Å; I510-M551 HydrophobicContact CD1-CG 4.49Å; I510-M551 HydrophobicContact CG2-CG 3.9Å; I510-M551 HydrophobicContact CG2-SD 4.25Å; A511-M551 HydrophobicContact CB-CE 4.02Å; F547-M551 WeakPolarHBondContact O-CB 3.27Å; F547-M551 WeakPolarHBondContact O-CG 3.25Å; F547-M551 PolarHBondContact O-N 3.07Å; Q548-M551 PolarHBondContact O-N 3.02Å; Q548-M551 VanDerWaalsContact O-N 3.14Å; S549-M551 VanDerWaalsContact C-N 3.31Å; S549-M551 PolarHBondContact O-N 3.02Å; M551-K575 VanDerWaalsContact O-CD 3.31Å; M551-K575 WeakPolarHBondContact O-CD 3.26Å; M551-K575 WeakPolarHBondContact O-CE 3.25Å; M551-K575 PolarHBondContact O-NZ 3.2Å
552	E	90.9	Very high	89.6	Confident	119 Å²	119	71.6 Å²	71.6	56%	0.556	37%	0.37	S	S	*	.	H	α-helix	trans	-114.2	-43	-167.1	-63.2	-174.6	169.1	0	0	113.7	Q548 S549 K575	Q548-E552 HydrophobicContact CG-CG 4.2Å; Q548-E552 WeakPolarHBondContact CG-OE2 3.43Å; Q548-E552 PolarHBondContact NE2-OE2 2.91Å; Q548-E552 WeakPolarHBondContact O-CB 3.09Å; Q548-E552 PolarHBondContact O-N 3Å; S549-E552 PolarHBondContact O-N 3.01Å; E552-K575 VanDerWaalsContact CA-NZ 3.33Å; E552-K575 PolarHBondContact O-NZ 2.93Å
553	H	91.9	Very high	91	Very high	109 Å²	109	76.9 Å²	76.9	51%	0.505	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-72.7	147.8	-174.7	-64.2	134.1	0	0	0	113	S549 K575	S549-H553 VanDerWaalsContact CA-ND1 3.32Å; S549-H553 WeakPolarHBondContact CA-ND1 3.39Å; S549-H553 WeakPolarHBondContact CB-ND1 3.45Å; S549-H553 WeakPolarHBondContact O-CB 3.41Å; S549-H553 PolarHBondContact O-N 3.47Å; S549-H553 PolarHBondContact OG-ND1 3.08Å; H553-K575 WeakPolarHBondContact O-CE 3.32Å; H553-K575 PolarHBondContact O-NZ 2.76Å
554	N	91.9	Very high	92	Very high	150 Å²	150	75.7 Å²	75.7	80%	0.802	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-90.3	132.4	169.1	-69.6	-49.3	0	0	0	108.5	S556	N554-S556 PolarHBondContact O-N 3.09Å
555	V	94.3	Very high	93	Very high	21 Å²	21	69.7 Å²	69.7	13%	0.127	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-57.6	130.2	177.8	-177.4	0	0	0	0	110.3	Y529 P537 F538 Y557 M573	Y529-V555 HydrophobicContact CD2-CG1 3.97Å; Y529-V555 HydrophobicContact CE2-CG1 3.66Å; P537-V555 HydrophobicContact CB-CG1 3.77Å; P537-V555 HydrophobicContact CB-CG2 4.08Å; F538-V555 HydrophobicContact CE1-CG2 3.67Å; F538-V555 HydrophobicContact CE2-CG2 4.1Å; F538-V555 HydrophobicContact CZ-CG2 3.36Å; V555-Y557 HydrophobicContact CB-CE2 3.9Å; V555-Y557 HydrophobicContact CG1-CE1 3.97Å; V555-Y557 HydrophobicContact CG1-CE2 4.09Å; V555-Y557 VanDerWaalsContact O-CD2 3.25Å; V555-Y557 WeakPolarHBondContact O-CD2 3.39Å; V555-Y557 WeakPolarHBondContact O-CE2 3.37Å; V555-M573 HydrophobicContact CG1-CE 4.03Å; V555-M573 HydrophobicContact CG2-CE 4.17Å; V555-M573 HydrophobicContact CG2-SD 4.04Å
556	S	94.8	Very high	93.8	Very high	90 Å²	90	66.9 Å²	66.9	63%	0.629	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-84.6	130.7	173.7	-174.5	0	0	0	0	109.9	Y529 N554	Y529-S556 WeakPolarHBondContact CE2-O 3.41Å; Y529-S556 PolarHBondContact OH-O 2.91Å; N554-S556 PolarHBondContact O-N 3.09Å
557	Y	96.1	Very high	94.3	Very high	50 Å²	50	69.1 Å²	69.1	20%	0.196	36%	0.357	C	S	.	.			trans	-110.4	117.2	-179	-63	-84.4	0	0	0	109.9	Y529 V555 L561 V566 C569 K570 M573	Y529-Y557 HydrophobicContact CD2-CD1 4.34Å; Y529-Y557 HydrophobicContact CD2-CE1 4.2Å; Y529-Y557 HydrophobicContact CE2-CD1 4.16Å; Y529-Y557 HydrophobicContact CE2-CE1 4.36Å; V555-Y557 HydrophobicContact CB-CE2 3.9Å; V555-Y557 HydrophobicContact CG1-CE1 3.97Å; V555-Y557 HydrophobicContact CG1-CE2 4.09Å; V555-Y557 VanDerWaalsContact O-CD2 3.25Å; V555-Y557 WeakPolarHBondContact O-CD2 3.39Å; V555-Y557 WeakPolarHBondContact O-CE2 3.37Å; Y557-L561 HydrophobicContact CD1-CD2 4.28Å; Y557-V566 HydrophobicContact CD1-CB 4.35Å; Y557-V566 HydrophobicContact CD1-CG1 4Å; Y557-V566 HydrophobicContact CD1-CG2 4.03Å; Y557-V566 HydrophobicContact CD2-CG1 4.14Å; Y557-V566 HydrophobicContact CE1-CG1 4.38Å; Y557-V566 HydrophobicContact CG-CG1 3.86Å; Y557-V566 HydrophobicContact CG-CG2 4.12Å; Y557-C569 HydrophobicContact CE1-CB 3.65Å; Y557-K570 HydrophobicContact CE1-CG 4.48Å; Y557-K570 HydrophobicContact CE2-CD 4.41Å; Y557-K570 HydrophobicContact CE2-CG 3.82Å; Y557-K570 WeakPolarHBondContact OH-CG 3.44Å; Y557-M573 HydrophobicContact CE1-CE 4.31Å
558	P	93.6	Very high	94.9	Very high	39 Å²	39	68.2 Å²	68.2	25%	0.253	35%	0.353	S	S	.	.			trans	-59.2	142.3	177.1	-21.3	29.5	0	0	0	111.6	A533 S560 L561	A533-P558 HydrophobicContact CB-CG 4.44Å; P558-S560 PolarHBondContact O-N 2.83Å; P558-L561 HydrophobicContact CB-CD1 3.82Å; P558-L561 HydrophobicContact CG-CD1 3.88Å; P558-L561 PolarHBondContact O-N 3.04Å
559	K	93.3	Very high	95.3	Very high	218 Å²	218	63.2 Å²	63.2	95%	0.948	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.9	178.7	-66	-177.1	-179.5	177.8	0	113.9	L561	K559-L561 VanDerWaalsContact C-N 3.32Å
560	S	92.7	Very high	95.6	Very high	83 Å²	83	68.5 Å²	68.5	58%	0.58	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.8	176.2	57.2	0	0	0	0	114.1	P558	P558-S560 PolarHBondContact O-N 2.83Å
561	L	96.4	Very high	95.8	Very high	21 Å²	21	69.4 Å²	69.4	11%	0.11	36%	0.361	C	S	.	.	S	Bend	trans	-78.1	141.6	179.1	-82.5	63.5	0	0	0	110.4	L532 Y557 P558 K559 A565 V566	L532-L561 HydrophobicContact CB-CD2 4.44Å; Y557-L561 HydrophobicContact CD1-CD2 4.28Å; P558-L561 HydrophobicContact CB-CD1 3.82Å; P558-L561 HydrophobicContact CG-CD1 3.88Å; P558-L561 PolarHBondContact O-N 3.04Å; K559-L561 VanDerWaalsContact C-N 3.32Å; L561-A565 HydrophobicContact CB-CB 4.34Å; L561-V566 HydrophobicContact CB-CG2 3.76Å; L561-V566 HydrophobicContact CD2-CG2 4.31Å
562	S	98.1	Very high	96.1	Very high	29 Å²	29	65.9 Å²	65.9	20%	0.203	34%	0.344	C	S	.	.			trans	-66.8	163.5	174.3	75	0	0	0	0	112.1	E437 E564 A565 V566	E437-S562 WeakPolarHBondContact OE1-CB 3.13Å; E437-S562 PolarHBondContact OE1-OG 2.96Å; E437-S562 WeakPolarHBondContact OE2-CB 3.46Å; E437-S562 PolarHBondContact OE2-OG 3.05Å; S562-E564 PolarHBondContact O-N 3.41Å; S562-A565 PolarHBondContact O-N 3.41Å; S562-A565 VanDerWaalsContact OG-CB 3.28Å; S562-A565 WeakPolarHBondContact OG-CB 3.46Å; S562-A565 PolarHBondContact OG-N 3.33Å; S562-V566 WeakPolarHBondContact O-CG2 3.37Å; S562-V566 PolarHBondContact O-N 2.98Å
563	K	98.1	Very high	96.5	Very high	184 Å²	184	60.9 Å²	60.9	80%	0.8	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-39.1	175.9	-71.3	179.7	177.8	177.8	0	110.8	S567	K563-S567 VanDerWaalsContact O-CB 3.27Å; K563-S567 WeakPolarHBondContact O-CB 3.45Å; K563-S567 PolarHBondContact O-N 2.71Å
564	E	98.1	Very high	96.8	Very high	47 Å²	47	57.7 Å²	57.7	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-43	179.3	-63.5	86.8	160.3	0	0	111.7	S562 S567 I568 A595 F596 R598	S562-E564 PolarHBondContact O-N 3.41Å; E564-S567 WeakPolarHBondContact O-CB 3.42Å; E564-S567 PolarHBondContact O-N 3.25Å; E564-I568 PolarHBondContact O-N 2.93Å; E564-A595 HydrophobicContact CG-CB 4.1Å; E564-F596 HydrophobicContact CB-CD2 4.49Å; E564-R598 IonicContact OE1-CZ 3.34Å; E564-R598 IonicContact OE1-NH1 3.8Å; E564-R598 PolarHBondContact OE1-NH1 3.31Å; E564-R598 IonicContact OE1-NH2 3.45Å; E564-R598 PolarHBondContact OE1-NH2 2.68Å
565	A	98.4	Very high	97.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-46	174.9	0	0	0	0	0	112.2	L532 L561 S562 S567 I568 C569 F596	L532-A565 HydrophobicContact CD1-CB 3.99Å; L561-A565 HydrophobicContact CB-CB 4.34Å; S562-A565 PolarHBondContact O-N 3.41Å; S562-A565 VanDerWaalsContact OG-CB 3.28Å; S562-A565 WeakPolarHBondContact OG-CB 3.46Å; S562-A565 PolarHBondContact OG-N 3.33Å; A565-S567 VanDerWaalsContact C-N 3.33Å; A565-S567 PolarHBondContact O-N 3.28Å; A565-I568 VanDerWaalsContact O-CG2 3.24Å; A565-I568 WeakPolarHBondContact O-CG2 3.5Å; A565-C569 WeakPolarHBondContact O-CB 3.27Å; A565-C569 PolarHBondContact O-N 3.26Å; A565-C569 PolarHBondContact O-SG 3.46Å; A565-C569 VanDerWaalsContact O-SG 3.37Å; A565-F596 HydrophobicContact CB-CD2 4.2Å; A565-F596 HydrophobicContact CB-CE2 3.85Å
566	V	98.6	Very high	97.2	Very high	26 Å²	26	57.9 Å²	57.9	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-39.6	175.7	175.3	0	0	0	0	111.2	Y557 L561 S562 K570	Y557-V566 HydrophobicContact CD1-CB 4.35Å; Y557-V566 HydrophobicContact CD1-CG1 4Å; Y557-V566 HydrophobicContact CD1-CG2 4.03Å; Y557-V566 HydrophobicContact CD2-CG1 4.14Å; Y557-V566 HydrophobicContact CE1-CG1 4.38Å; Y557-V566 HydrophobicContact CG-CG1 3.86Å; Y557-V566 HydrophobicContact CG-CG2 4.12Å; L561-V566 HydrophobicContact CB-CG2 3.76Å; L561-V566 HydrophobicContact CD2-CG2 4.31Å; S562-V566 WeakPolarHBondContact O-CG2 3.37Å; S562-V566 PolarHBondContact O-N 2.98Å; V566-K570 HydrophobicContact CG1-CD 4.01Å; V566-K570 HydrophobicContact CG1-CG 4.33Å; V566-K570 WeakPolarHBondContact O-CB 3.24Å; V566-K570 WeakPolarHBondContact O-CG 3.37Å; V566-K570 PolarHBondContact O-N 2.87Å
567	S	98.6	Very high	97.3	Very high	60 Å²	60	54.9 Å²	54.9	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-49.1	179.7	-175.6	0	0	0	0	112	K563 E564 A565 K570 G571 H594	K563-S567 VanDerWaalsContact O-CB 3.27Å; K563-S567 WeakPolarHBondContact O-CB 3.45Å; K563-S567 PolarHBondContact O-N 2.71Å; E564-S567 WeakPolarHBondContact O-CB 3.42Å; E564-S567 PolarHBondContact O-N 3.25Å; A565-S567 VanDerWaalsContact C-N 3.33Å; A565-S567 PolarHBondContact O-N 3.28Å; S567-K570 PolarHBondContact O-N 2.83Å; S567-G571 PolarHBondContact O-N 3.36Å; S567-H594 PolarHBondContact OG-NE2 2.88Å
568	I	98.8	Very high	97.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-44.4	-179	-168.9	166.6	0	0	0	111.4	L528 E564 A565 K570 G571 L572 L581 H594 F596 F597	L528-I568 HydrophobicContact CD2-CD1 4.07Å; L528-I568 HydrophobicContact CD2-CG1 4.21Å; L528-I568 HydrophobicContact CD2-CG2 3.66Å; E564-I568 PolarHBondContact O-N 2.93Å; A565-I568 VanDerWaalsContact O-CG2 3.24Å; A565-I568 WeakPolarHBondContact O-CG2 3.5Å; I568-K570 VanDerWaalsContact C-N 3.31Å; I568-K570 PolarHBondContact O-N 2.99Å; I568-G571 PolarHBondContact O-N 3.44Å; I568-G571 VanDerWaalsContact O-N 3.12Å; I568-L572 HydrophobicContact CD1-CD1 4.31Å; I568-L572 HydrophobicContact CG1-CD1 3.74Å; I568-L572 HydrophobicContact CG1-CG 4.27Å; I568-L572 WeakPolarHBondContact O-CG 3.41Å; I568-L572 PolarHBondContact O-N 3.26Å; I568-L581 HydrophobicContact CG1-CD2 4.04Å; I568-H594 VanDerWaalsContact CB-CE1 3.41Å; I568-H594 WeakPolarHBondContact CB-CE1 3.14Å; I568-H594 PolarHBondContact N-CE1 2.88Å; I568-F596 HydrophobicContact CB-CB 4.05Å; I568-F596 HydrophobicContact CB-CG 4.28Å; I568-F596 HydrophobicContact CD1-CB 3.93Å; I568-F596 HydrophobicContact CD1-CD1 3.71Å; I568-F596 HydrophobicContact CD1-CG 4.07Å; I568-F596 HydrophobicContact CG2-CB 3.96Å; I568-F596 HydrophobicContact CG2-CD1 3.99Å; I568-F596 HydrophobicContact CG2-CD2 3.86Å; I568-F596 HydrophobicContact CG2-CE1 4.42Å; I568-F596 HydrophobicContact CG2-CE2 4.32Å; I568-F596 HydrophobicContact CG2-CG 3.67Å; I568-F597 HydrophobicContact CD1-CD2 4.13Å; I568-F597 HydrophobicContact CD1-CE2 3.27Å; I568-F597 HydrophobicContact CD1-CZ 3.67Å
569	C	98.7	Very high	97.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-40.1	178.7	-73.4	0	0	0	0	111.7	Y557 A565 L572 M573	Y557-C569 HydrophobicContact CE1-CB 3.65Å; A565-C569 WeakPolarHBondContact O-CB 3.27Å; A565-C569 PolarHBondContact O-N 3.26Å; A565-C569 PolarHBondContact O-SG 3.46Å; A565-C569 VanDerWaalsContact O-SG 3.37Å; C569-L572 PolarHBondContact O-N 2.88Å; C569-M573 HydrophobicContact CB-CE 3.65Å; C569-M573 WeakPolarHBondContact O-CB 3.31Å; C569-M573 PolarHBondContact O-N 2.91Å
570	K	98.4	Very high	97.6	Very high	118 Å²	118	52.6 Å²	52.6	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-41.7	174	-77.8	-178.8	175.7	-177	0	112.6	Y557 V566 S567 I568 T574	Y557-K570 HydrophobicContact CE1-CG 4.48Å; Y557-K570 HydrophobicContact CE2-CD 4.41Å; Y557-K570 HydrophobicContact CE2-CG 3.82Å; Y557-K570 WeakPolarHBondContact OH-CG 3.44Å; V566-K570 HydrophobicContact CG1-CD 4.01Å; V566-K570 HydrophobicContact CG1-CG 4.33Å; V566-K570 WeakPolarHBondContact O-CB 3.24Å; V566-K570 WeakPolarHBondContact O-CG 3.37Å; V566-K570 PolarHBondContact O-N 2.87Å; S567-K570 PolarHBondContact O-N 2.83Å; I568-K570 VanDerWaalsContact C-N 3.31Å; I568-K570 PolarHBondContact O-N 2.99Å; K570-T574 PolarHBondContact O-N 3.47Å; K570-T574 PolarHBondContact O-OG1 3.41Å
571	G	98.4	Very high	97.9	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-44.5	177.7	0	0	0	0	0	112.5	S567 I568 T574 R580 L581	S567-G571 PolarHBondContact O-N 3.36Å; I568-G571 PolarHBondContact O-N 3.44Å; I568-G571 VanDerWaalsContact O-N 3.12Å; G571-T574 PolarHBondContact O-OG1 3.48Å; G571-R580 WeakPolarHBondContact O-CG 3.44Å; G571-L581 PolarHBondContact O-N 2.78Å
572	L	98.7	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-75.9	-41.5	-178.6	-66	167.9	0	0	0	112.9	W521 Y524 L528 I568 C569 T574 R580 L581	W521-L572 HydrophobicContact CB-CD2 4.33Å; W521-L572 HydrophobicContact CE3-CD2 4.05Å; Y524-L572 HydrophobicContact CD1-CD1 3.51Å; Y524-L572 HydrophobicContact CD1-CD2 3.91Å; Y524-L572 HydrophobicContact CD1-CG 4.34Å; Y524-L572 HydrophobicContact CE1-CD1 3.73Å; Y524-L572 HydrophobicContact CE1-CD2 4.43Å; L528-L572 HydrophobicContact CD2-CD1 4.22Å; I568-L572 HydrophobicContact CD1-CD1 4.31Å; I568-L572 HydrophobicContact CG1-CD1 3.74Å; I568-L572 HydrophobicContact CG1-CG 4.27Å; I568-L572 WeakPolarHBondContact O-CG 3.41Å; I568-L572 PolarHBondContact O-N 3.26Å; C569-L572 PolarHBondContact O-N 2.88Å; L572-T574 PolarHBondContact O-N 3.02Å; L572-R580 WeakPolarHBondContact O-CD 3.36Å; L572-R580 WeakPolarHBondContact O-CG 3.36Å; L572-R580 PolarHBondContact O-NE 2.88Å; L572-L581 HydrophobicContact CD2-CB 4.13Å; L572-L581 HydrophobicContact CD2-CD2 4.17Å; L572-L581 HydrophobicContact CD2-CG 4.31Å; L572-L581 HydrophobicContact CG-CB 4.47Å; L572-L581 HydrophobicContact CG-CD2 4.18Å
573	M	98.4	Very high	97.7	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.064	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	30.2	177	-62.2	-175.9	-75.6	0	0	112.5	W522 V526 Y529 P537 F538 V555 Y557 C569 K575	W522-M573 HydrophobicContact CE3-CB 4.43Å; W522-M573 HydrophobicContact CH2-CB 4.43Å; W522-M573 HydrophobicContact CZ3-CB 4.1Å; W522-M573 WeakPolarHBondContact CZ3-O 3.08Å; V526-M573 HydrophobicContact CG2-SD 4.26Å; Y529-M573 HydrophobicContact CD2-CE 4.02Å; Y529-M573 HydrophobicContact CG-CE 4.14Å; P537-M573 HydrophobicContact CB-CE 4.42Å; P537-M573 HydrophobicContact CB-SD 3.79Å; P537-M573 HydrophobicContact CG-SD 3.81Å; F538-M573 HydrophobicContact CE2-SD 4.4Å; V555-M573 HydrophobicContact CG1-CE 4.03Å; V555-M573 HydrophobicContact CG2-CE 4.17Å; V555-M573 HydrophobicContact CG2-SD 4.04Å; Y557-M573 HydrophobicContact CE1-CE 4.31Å; C569-M573 HydrophobicContact CB-CE 3.65Å; C569-M573 WeakPolarHBondContact O-CB 3.31Å; C569-M573 PolarHBondContact O-N 2.91Å; M573-K575 PolarHBondContact O-N 2.87Å
574	T	98.4	Very high	97.3	Very high	42 Å²	42	41.6 Å²	41.6	26%	0.258	23%	0.232	S	C	.	.			trans	-74.2	121.4	168.5	-72.3	0	0	0	0	109.2	K570 G571 L572 H576 K579 R580	K570-T574 PolarHBondContact O-N 3.47Å; K570-T574 PolarHBondContact O-OG1 3.41Å; G571-T574 PolarHBondContact O-OG1 3.48Å; L572-T574 PolarHBondContact O-N 3.02Å; T574-H576 VanDerWaalsContact C-N 3.33Å; T574-H576 PolarHBondContact O-N 3.05Å; T574-K579 HydrophobicContact CG2-CB 4.07Å; T574-R580 PolarHBondContact O-NE 2.89Å; T574-R580 PolarHBondContact O-NH2 3.03Å; T574-R580 VanDerWaalsContact O-NH2 3.12Å
575	K	97.3	Very high	96.8	Very high	60 Å²	60	45.6 Å²	45.6	26%	0.261	26%	0.262	S	S	.	.	S	Bend	trans	-60.8	-38.9	-173.3	-63.7	-176.4	-178.7	179.7	0	113.6	P507 W522 I550 M551 E552 H553 M573 P577 R580	P507-K575 HydrophobicContact CG-CB 4.27Å; P507-K575 HydrophobicContact CG-CG 4.26Å; W522-K575 HydrophobicContact CH2-CG 4.45Å; W522-K575 HydrophobicContact CZ3-CG 4.33Å; I550-K575 WeakPolarHBondContact O-CE 3.04Å; I550-K575 PolarHBondContact O-NZ 3.47Å; M551-K575 VanDerWaalsContact O-CD 3.31Å; M551-K575 WeakPolarHBondContact O-CD 3.26Å; M551-K575 WeakPolarHBondContact O-CE 3.25Å; M551-K575 PolarHBondContact O-NZ 3.2Å; E552-K575 VanDerWaalsContact CA-NZ 3.33Å; E552-K575 PolarHBondContact O-NZ 2.93Å; H553-K575 WeakPolarHBondContact O-CE 3.32Å; H553-K575 PolarHBondContact O-NZ 2.76Å; M573-K575 PolarHBondContact O-N 2.87Å; K575-P577 WeakPolarHBondContact O-CD 3.26Å; K575-R580 PolarHBondContact O-NH2 2.77Å
576	H	96.8	Very high	96.5	Very high	116 Å²	116	50.9 Å²	50.9	54%	0.537	29%	0.286	S	S	.	.	S	Bend	trans	-82.7	115.7	178.8	-167.6	-64.9	0	0	0	110.9	T574 A578 K579 R580	T574-H576 VanDerWaalsContact C-N 3.33Å; T574-H576 PolarHBondContact O-N 3.05Å; H576-A578 VanDerWaalsContact C-N 3.33Å; H576-A578 PolarHBondContact ND1-N 2.85Å; H576-A578 PolarHBondContact O-N 3.31Å; H576-K579 PolarHBondContact O-N 2.83Å; H576-K579 VanDerWaalsContact O-N 3.1Å; H576-R580 PolarHBondContact O-N 2.77Å
577	P	96.9	Very high	96.3	Very high	27 Å²	27	49.7 Å²	49.7	18%	0.175	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.6	-37.2	-171	21.2	-32.7	0	0	0	113.6	E508 K575 K579 R580 C583	E508-P577 HydrophobicContact CB-CG 4.47Å; K575-P577 WeakPolarHBondContact O-CD 3.26Å; P577-K579 PolarHBondContact O-N 2.95Å; P577-K579 VanDerWaalsContact O-N 3.12Å; P577-R580 VanDerWaalsContact O-CB 3.28Å; P577-R580 WeakPolarHBondContact O-CB 3.34Å; P577-R580 PolarHBondContact O-N 2.92Å; P577-R580 VanDerWaalsContact O-N 3.07Å; P577-C583 VanDerWaalsContact O-CB 3.28Å; P577-C583 WeakPolarHBondContact O-CB 3.39Å
578	A	94.9	Very high	96.1	Very high	80 Å²	80	50.2 Å²	50.2	66%	0.661	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.3	-17.9	179.8	0	0	0	0	0	115.3	H576	H576-A578 VanDerWaalsContact C-N 3.33Å; H576-A578 PolarHBondContact ND1-N 2.85Å; H576-A578 PolarHBondContact O-N 3.31Å
579	K	96.6	Very high	96.1	Very high	173 Å²	173	56.6 Å²	56.6	75%	0.752	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-106.6	0.8	177.4	-64.3	-175	-179.6	-179.9	0	112.5	T574 H576 P577	T574-K579 HydrophobicContact CG2-CB 4.07Å; H576-K579 PolarHBondContact O-N 2.83Å; H576-K579 VanDerWaalsContact O-N 3.1Å; P577-K579 PolarHBondContact O-N 2.95Å; P577-K579 VanDerWaalsContact O-N 3.12Å
580	R	98.3	Very high	96	Very high	6 Å²	6	60 Å²	60	2%	0.023	32%	0.318	C	S	.	.	S	Bend	trans	-78	138.4	-176.2	-172.3	-178.7	-62.2	144.7	4.8	110	E508 S518 G571 L572 T574 K575 H576 P577 G582 C583	E508-R580 IonicContact OE1-CZ 2.84Å; E508-R580 IonicContact OE1-NH1 2.69Å; E508-R580 PolarHBondContact OE1-NH1 2.87Å; E508-R580 IonicContact OE1-NH2 2.75Å; E508-R580 IonicContact OE2-CZ 2.9Å; E508-R580 IonicContact OE2-NH1 3.18Å; E508-R580 PolarHBondContact OE2-NH1 2.83Å; E508-R580 IonicContact OE2-NH2 2.81Å; E508-R580 PolarHBondContact OE2-NH2 2.69Å; S518-R580 PolarHBondContact O-NH1 3.05Å; G571-R580 WeakPolarHBondContact O-CG 3.44Å; L572-R580 WeakPolarHBondContact O-CD 3.36Å; L572-R580 WeakPolarHBondContact O-CG 3.36Å; L572-R580 PolarHBondContact O-NE 2.88Å; T574-R580 PolarHBondContact O-NE 2.89Å; T574-R580 PolarHBondContact O-NH2 3.03Å; T574-R580 VanDerWaalsContact O-NH2 3.12Å; K575-R580 PolarHBondContact O-NH2 2.77Å; H576-R580 PolarHBondContact O-N 2.77Å; P577-R580 VanDerWaalsContact O-CB 3.28Å; P577-R580 WeakPolarHBondContact O-CB 3.34Å; P577-R580 PolarHBondContact O-N 2.92Å; P577-R580 VanDerWaalsContact O-N 3.07Å; R580-G582 PolarHBondContact O-N 3.08Å; R580-C583 HydrophobicContact CB-CB 4.45Å; R580-C583 WeakPolarHBondContact O-CB 3.41Å; R580-C583 PolarHBondContact O-N 3.44Å
581	L	98.3	Very high	96	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.157	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.3	174.3	-176.8	66.5	0	0	0	109.9	I568 G571 L572 C583 D590 V591	I568-L581 HydrophobicContact CG1-CD2 4.04Å; G571-L581 PolarHBondContact O-N 2.78Å; L572-L581 HydrophobicContact CD2-CB 4.13Å; L572-L581 HydrophobicContact CD2-CD2 4.17Å; L572-L581 HydrophobicContact CD2-CG 4.31Å; L572-L581 HydrophobicContact CG-CB 4.47Å; L572-L581 HydrophobicContact CG-CD2 4.18Å; L581-C583 VanDerWaalsContact C-N 3.32Å; L581-C583 PolarHBondContact O-N 2.86Å; L581-D590 HydrophobicContact CD1-CB 3.79Å; L581-V591 HydrophobicContact CD2-CG2 4.45Å; L581-V591 HydrophobicContact CG-CG2 4.03Å
582	G	95.8	Very high	96	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.021	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	-8.6	-177.4	0	0	0	0	0	115.4	W521 R580	W521-G582 PolarHBondContact NE1-O 3.34Å; W521-G582 VanDerWaalsContact NE1-O 3.14Å; R580-G582 PolarHBondContact O-N 3.08Å
583	C	94.9	Very high	96	Very high	31 Å²	31	62.2 Å²	62.2	21%	0.209	32%	0.322	C	S	.	.			trans	-96.5	-11.1	-177.3	-61.2	0	0	0	0	114.5	S518 P577 R580 L581	S518-C583 VanDerWaalsContact CA-SG 3.51Å; S518-C583 WeakPolarHBondContact CB-SG 3.35Å; P577-C583 VanDerWaalsContact O-CB 3.28Å; P577-C583 WeakPolarHBondContact O-CB 3.39Å; R580-C583 HydrophobicContact CB-CB 4.45Å; R580-C583 WeakPolarHBondContact O-CB 3.41Å; R580-C583 PolarHBondContact O-N 3.44Å; L581-C583 VanDerWaalsContact C-N 3.32Å; L581-C583 PolarHBondContact O-N 2.86Å
584	G	89.4	Confident	96	Very high	23 Å²	23	63.1 Å²	63.1	24%	0.237	33%	0.326	C	S	.	.	S	Bend	trans	-72.5	172.4	175.5	0	0	0	0	0	113.2	E586 G587	G584-E586 PolarHBondContact O-N 3.11Å; G584-G587 WeakPolarHBondContact O-CA 3.45Å; G584-G587 PolarHBondContact O-N 2.81Å
585	P	87.5	Confident	96	Very high	131 Å²	131	63.5 Å²	63.5	85%	0.851	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.4	174.1	-23.8	34.1	0	0	0	112.8	G587	P585-G587 VanDerWaalsContact C-N 3.29Å; P585-G587 PolarHBondContact O-N 2.78Å
586	E	93.1	Very high	96	Very high	110 Å²	110	61.1 Å²	61.1	51%	0.514	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	23.7	176.4	-61.6	-65	129.8	0	0	112	G584 E588 R589 D590	G584-E586 PolarHBondContact O-N 3.11Å; E586-E588 VanDerWaalsContact C-N 3.28Å; E586-E588 PolarHBondContact O-N 2.91Å; E586-E588 VanDerWaalsContact O-N 3.12Å; E586-R589 HydrophobicContact CB-CB 4.36Å; E586-R589 WeakPolarHBondContact O-CA 3.47Å; E586-R589 WeakPolarHBondContact O-CB 3.31Å; E586-R589 PolarHBondContact O-N 3.31Å; E586-D590 PolarHBondContact O-N 2.97Å
587	G	93.4	Very high	96.1	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-55.6	-37.3	-168.5	0	0	0	0	0	114.7	G584 P585 V591	G584-G587 WeakPolarHBondContact O-CA 3.45Å; G584-G587 PolarHBondContact O-N 2.81Å; P585-G587 VanDerWaalsContact C-N 3.29Å; P585-G587 PolarHBondContact O-N 2.78Å; G587-V591 WeakPolarHBondContact O-CG2 3.43Å; G587-V591 PolarHBondContact O-N 2.93Å; G587-V591 VanDerWaalsContact O-N 3.15Å
588	E	96.1	Very high	96.1	Very high	71 Å²	71	61.6 Å²	61.6	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-45	174.6	174.2	167.7	178.2	0	0	112	F452 E586 V591 R592	F452-E588 HydrophobicContact CD1-CB 3.87Å; F452-E588 HydrophobicContact CD1-CG 3.63Å; F452-E588 HydrophobicContact CD2-CG 3.99Å; F452-E588 HydrophobicContact CE1-CB 3.84Å; F452-E588 HydrophobicContact CE1-CG 3.69Å; F452-E588 HydrophobicContact CE2-CG 4.08Å; F452-E588 HydrophobicContact CG-CB 4.5Å; F452-E588 HydrophobicContact CG-CG 3.8Å; F452-E588 HydrophobicContact CZ-CB 4.46Å; F452-E588 HydrophobicContact CZ-CG 3.94Å; E586-E588 VanDerWaalsContact C-N 3.28Å; E586-E588 PolarHBondContact O-N 2.91Å; E586-E588 VanDerWaalsContact O-N 3.12Å; E588-V591 PolarHBondContact O-N 3.47Å; E588-R592 HydrophobicContact CG-CG 4.47Å; E588-R592 WeakPolarHBondContact O-CB 3.15Å; E588-R592 WeakPolarHBondContact O-CG 3.46Å; E588-R592 PolarHBondContact O-N 3.33Å; E588-R592 IonicContact OE1-CZ 2.68Å; E588-R592 IonicContact OE1-NE 3.64Å; E588-R592 PolarHBondContact OE1-NE 3.47Å; E588-R592 IonicContact OE1-NH2 3.65Å; E588-R592 PolarHBondContact OE1-NH2 3.42Å
589	R	97.5	Very high	96	Very high	133 Å²	133	67.3 Å²	67.3	50%	0.502	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-45.1	177.3	-177	-177.9	-179.8	-172.5	-3.6	111.4	E586 V591 R592 E593	E586-R589 HydrophobicContact CB-CB 4.36Å; E586-R589 WeakPolarHBondContact O-CA 3.47Å; E586-R589 WeakPolarHBondContact O-CB 3.31Å; E586-R589 PolarHBondContact O-N 3.31Å; R589-V591 VanDerWaalsContact C-N 3.26Å; R589-V591 PolarHBondContact O-N 3.48Å; R589-R592 PolarHBondContact O-N 3.34Å; R589-E593 HydrophobicContact CG-CG 4.13Å; R589-E593 WeakPolarHBondContact CG-OE1 3.36Å; R589-E593 IonicContact CZ-OE1 2.77Å; R589-E593 IonicContact NE-OE1 2.61Å; R589-E593 PolarHBondContact NE-OE1 3.36Å; R589-E593 IonicContact NE-OE2 2.77Å; R589-E593 PolarHBondContact NE-OE2 2.97Å; R589-E593 IonicContact NH2-OE1 3.42Å; R589-E593 PolarHBondContact NH2-OE1 3Å; R589-E593 IonicContact NH2-OE2 3.51Å; R589-E593 WeakPolarHBondContact O-CB 3.37Å; R589-E593 WeakPolarHBondContact O-CG 3.45Å; R589-E593 PolarHBondContact O-N 2.78Å
590	D	97.3	Very high	96	Very high	71 Å²	71	60.4 Å²	60.4	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-58.2	-39.8	178.8	-66.8	-23.4	0	0	0	111.7	L581 E586 H594	L581-D590 HydrophobicContact CD1-CB 3.79Å; E586-D590 PolarHBondContact O-N 2.97Å; D590-H594 PolarHBondContact O-N 3.1Å
591	V	98.2	Very high	95.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.6	-48.2	175.4	174.4	0	0	0	0	110.6	F452 W521 L581 G587 E588 R589 E593 H594 F597	F452-V591 HydrophobicContact CE1-CB 4.3Å; F452-V591 HydrophobicContact CE1-CG1 4.44Å; F452-V591 HydrophobicContact CZ-CB 3.95Å; F452-V591 HydrophobicContact CZ-CG1 3.82Å; W521-V591 HydrophobicContact CE3-CG2 4.32Å; W521-V591 HydrophobicContact CH2-CG1 4.42Å; W521-V591 HydrophobicContact CH2-CG2 4.26Å; W521-V591 HydrophobicContact CZ3-CG1 4.21Å; W521-V591 HydrophobicContact CZ3-CG2 4.1Å; L581-V591 HydrophobicContact CD2-CG2 4.45Å; L581-V591 HydrophobicContact CG-CG2 4.03Å; G587-V591 WeakPolarHBondContact O-CG2 3.43Å; G587-V591 PolarHBondContact O-N 2.93Å; G587-V591 VanDerWaalsContact O-N 3.15Å; E588-V591 PolarHBondContact O-N 3.47Å; R589-V591 VanDerWaalsContact C-N 3.26Å; R589-V591 PolarHBondContact O-N 3.48Å; V591-E593 PolarHBondContact O-N 2.99Å; V591-H594 WeakPolarHBondContact O-CB 3.28Å; V591-H594 PolarHBondContact O-N 3.04Å; V591-F597 HydrophobicContact CG1-CE2 4.06Å; V591-F597 WeakPolarHBondContact O-CD2 3.18Å
592	R	98.3	Very high	95.9	Very high	60 Å²	60	63.3 Å²	63.3	23%	0.226	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-39.8	-177.7	-73.3	-179.6	-175.4	-121.4	1.8	113.2	F452 E588 R589 W602 E606	F452-R592 HydrophobicContact CE2-CG 3.87Å; F452-R592 HydrophobicContact CZ-CG 4.11Å; E588-R592 HydrophobicContact CG-CG 4.47Å; E588-R592 WeakPolarHBondContact O-CB 3.15Å; E588-R592 WeakPolarHBondContact O-CG 3.46Å; E588-R592 PolarHBondContact O-N 3.33Å; E588-R592 IonicContact OE1-CZ 2.68Å; E588-R592 IonicContact OE1-NE 3.64Å; E588-R592 PolarHBondContact OE1-NE 3.47Å; E588-R592 IonicContact OE1-NH2 3.65Å; E588-R592 PolarHBondContact OE1-NH2 3.42Å; R589-R592 PolarHBondContact O-N 3.34Å; R592-W602 HydrophobicContact CB-CD2 4.34Å; R592-W602 HydrophobicContact CB-CZ2 4.07Å; R592-W602 HydrophobicContact CG-CD2 3.88Å; R592-W602 HydrophobicContact CG-CE3 4.25Å; R592-W602 HydrophobicContact CG-CG 4.34Å; R592-W602 HydrophobicContact CG-CH2 4.34Å; R592-W602 HydrophobicContact CG-CZ2 4Å; R592-W602 HydrophobicContact CG-CZ3 4.46Å; R592-W602 PolarHBondContact O-NE1 3.39Å; R592-E606 IonicContact CZ-OE1 2.75Å; R592-E606 VanDerWaalsContact CZ-OE1 3.32Å; R592-E606 IonicContact NH1-OE1 3.25Å; R592-E606 PolarHBondContact NH1-OE1 3.06Å; R592-E606 IonicContact NH2-OE1 3.74Å; R592-E606 PolarHBondContact NH2-OE1 2.88Å
593	E	97.9	Very high	95.9	Very high	126 Å²	126	70.1 Å²	70.1	59%	0.589	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.4	-177.6	-66.7	-176.9	-179.3	0	0	113.3	R589 V591 A595	R589-E593 HydrophobicContact CG-CG 4.13Å; R589-E593 WeakPolarHBondContact CG-OE1 3.36Å; R589-E593 IonicContact CZ-OE1 2.77Å; R589-E593 IonicContact NE-OE1 2.61Å; R589-E593 PolarHBondContact NE-OE1 3.36Å; R589-E593 IonicContact NE-OE2 2.77Å; R589-E593 PolarHBondContact NE-OE2 2.97Å; R589-E593 IonicContact NH2-OE1 3.42Å; R589-E593 PolarHBondContact NH2-OE1 3Å; R589-E593 IonicContact NH2-OE2 3.51Å; R589-E593 WeakPolarHBondContact O-CB 3.37Å; R589-E593 WeakPolarHBondContact O-CG 3.45Å; R589-E593 PolarHBondContact O-N 2.78Å; V591-E593 PolarHBondContact O-N 2.99Å; E593-A595 PolarHBondContact O-N 3.28Å
594	H	98.6	Very high	95.9	Very high	31 Å²	31	73.3 Å²	73.3	14%	0.144	35%	0.348	C	S	.	.	S	Bend	trans	-59.1	137.8	179.6	-170.6	-84.7	0	0	0	111.1	S567 I568 D590 V591 F596 F597	S567-H594 PolarHBondContact OG-NE2 2.88Å; I568-H594 VanDerWaalsContact CB-CE1 3.41Å; I568-H594 WeakPolarHBondContact CB-CE1 3.14Å; I568-H594 PolarHBondContact N-CE1 2.88Å; D590-H594 PolarHBondContact O-N 3.1Å; V591-H594 WeakPolarHBondContact O-CB 3.28Å; V591-H594 PolarHBondContact O-N 3.04Å; H594-F596 WeakPolarHBondContact ND1-CB 3.34Å; H594-F596 PolarHBondContact ND1-N 2.83Å; H594-F596 PolarHBondContact O-N 2.94Å; H594-F597 HydrophobicContact CB-CD2 4.44Å; H594-F597 PolarHBondContact O-N 2.99Å
595	A	98.3	Very high	96.2	Very high	51 Å²	51	72.2 Å²	72.2	42%	0.421	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-56.2	-20.8	-173.3	0	0	0	0	0	115.1	E564 E593 F597 R598	E564-A595 HydrophobicContact CG-CB 4.1Å; E593-A595 PolarHBondContact O-N 3.28Å; A595-F597 VanDerWaalsContact C-N 3.29Å; A595-F597 PolarHBondContact O-N 2.94Å; A595-R598 WeakPolarHBondContact O-CB 3.49Å; A595-R598 WeakPolarHBondContact O-CD 3.48Å; A595-R598 VanDerWaalsContact O-CG 3.31Å; A595-R598 WeakPolarHBondContact O-CG 3.45Å; A595-R598 PolarHBondContact O-N 3.18Å
596	F	98.6	Very high	96.6	Very high	10 Å²	10	69.3 Å²	69.3	4%	0.044	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-61.4	-35.3	172.8	-172.7	-108.7	0	0	0	112.5	E437 V441 L528 L532 E564 A565 I568 H594	E437-F596 HydrophobicContact CG-CE2 4Å; V441-F596 HydrophobicContact CB-CE1 4.14Å; V441-F596 HydrophobicContact CB-CZ 4.28Å; V441-F596 HydrophobicContact CG2-CD1 4.01Å; V441-F596 HydrophobicContact CG2-CD2 4.15Å; V441-F596 HydrophobicContact CG2-CE1 3.5Å; V441-F596 HydrophobicContact CG2-CE2 3.64Å; V441-F596 HydrophobicContact CG2-CG 4.32Å; V441-F596 HydrophobicContact CG2-CZ 3.29Å; L528-F596 HydrophobicContact CD1-CE1 3.86Å; L528-F596 HydrophobicContact CD1-CZ 3.82Å; L528-F596 HydrophobicContact CD2-CD1 4.47Å; L528-F596 HydrophobicContact CD2-CE1 3.97Å; L528-F596 HydrophobicContact CD2-CZ 4.35Å; L532-F596 HydrophobicContact CD1-CE2 4.4Å; L532-F596 HydrophobicContact CD1-CZ 4.29Å; L532-F596 HydrophobicContact CD2-CZ 4.5Å; E564-F596 HydrophobicContact CB-CD2 4.49Å; A565-F596 HydrophobicContact CB-CD2 4.2Å; A565-F596 HydrophobicContact CB-CE2 3.85Å; I568-F596 HydrophobicContact CB-CB 4.05Å; I568-F596 HydrophobicContact CB-CG 4.28Å; I568-F596 HydrophobicContact CD1-CB 3.93Å; I568-F596 HydrophobicContact CD1-CD1 3.71Å; I568-F596 HydrophobicContact CD1-CG 4.07Å; I568-F596 HydrophobicContact CG2-CB 3.96Å; I568-F596 HydrophobicContact CG2-CD1 3.99Å; I568-F596 HydrophobicContact CG2-CD2 3.86Å; I568-F596 HydrophobicContact CG2-CE1 4.42Å; I568-F596 HydrophobicContact CG2-CE2 4.32Å; I568-F596 HydrophobicContact CG2-CG 3.67Å; H594-F596 WeakPolarHBondContact ND1-CB 3.34Å; H594-F596 PolarHBondContact ND1-N 2.83Å; H594-F596 PolarHBondContact O-N 2.94Å
597	F	98.4	Very high	96.6	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.009	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-97.5	13.4	179.2	-57.3	-69.2	0	0	0	113.7	V441 A444 A445 Y524 I568 V591 H594 A595 R599 I600 W602	V441-F597 HydrophobicContact CG1-CD1 3.96Å; V441-F597 HydrophobicContact CG1-CE1 4.45Å; A444-F597 HydrophobicContact CB-CE1 4.07Å; A444-F597 HydrophobicContact CB-CZ 4.27Å; A445-F597 HydrophobicContact CB-CD1 4.05Å; A445-F597 HydrophobicContact CB-CE1 4.04Å; Y524-F597 VanDerWaalsContact OH-CZ 3.3Å; Y524-F597 WeakPolarHBondContact OH-CZ 3.08Å; I568-F597 HydrophobicContact CD1-CD2 4.13Å; I568-F597 HydrophobicContact CD1-CE2 3.27Å; I568-F597 HydrophobicContact CD1-CZ 3.67Å; V591-F597 HydrophobicContact CG1-CE2 4.06Å; V591-F597 WeakPolarHBondContact O-CD2 3.18Å; H594-F597 HydrophobicContact CB-CD2 4.44Å; H594-F597 PolarHBondContact O-N 2.99Å; A595-F597 VanDerWaalsContact C-N 3.29Å; A595-F597 PolarHBondContact O-N 2.94Å; F597-R599 PolarHBondContact O-N 2.8Å; F597-I600 HydrophobicContact CB-CB 4.34Å; F597-I600 HydrophobicContact CB-CG1 4.31Å; F597-I600 HydrophobicContact CD1-CG1 4.21Å; F597-I600 WeakPolarHBondContact O-CB 3.44Å; F597-I600 PolarHBondContact O-N 2.71Å; F597-W602 HydrophobicContact CB-CZ2 3.7Å; F597-W602 HydrophobicContact CD1-CH2 4.2Å; F597-W602 HydrophobicContact CD1-CZ2 4.05Å; F597-W602 HydrophobicContact CD2-CH2 4.36Å; F597-W602 AromaticContact CD2-CZ2 3.91Å; F597-W602 HydrophobicContact CD2-CZ2 3.91Å; F597-W602 HydrophobicContact CE1-CH2 4.48Å; F597-W602 HydrophobicContact CG-CH2 4.15Å; F597-W602 AromaticContact CG-CZ2 3.62Å; F597-W602 HydrophobicContact CG-CZ2 3.62Å
598	R	96.2	Very high	96.6	Very high	150 Å²	150	71.7 Å²	71.7	57%	0.566	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-16.2	-175.5	71.9	-176	171	-154.1	-11.5	115.9	E564 A595	E564-R598 IonicContact OE1-CZ 3.34Å; E564-R598 IonicContact OE1-NH1 3.8Å; E564-R598 PolarHBondContact OE1-NH1 3.31Å; E564-R598 IonicContact OE1-NH2 3.45Å; E564-R598 PolarHBondContact OE1-NH2 2.68Å; A595-R598 WeakPolarHBondContact O-CB 3.49Å; A595-R598 WeakPolarHBondContact O-CD 3.48Å; A595-R598 VanDerWaalsContact O-CG 3.31Å; A595-R598 WeakPolarHBondContact O-CG 3.45Å; A595-R598 PolarHBondContact O-N 3.18Å
599	R	92.8	Very high	96.4	Very high	200 Å²	200	74.1 Å²	74.1	76%	0.755	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-3.5	-179.8	-59.9	-175.5	-178.4	165.5	0.6	113.1	F597	F597-R599 PolarHBondContact O-N 2.8Å
600	I	96.8	Very high	96.1	Very high	28 Å²	28	69.8 Å²	69.8	14%	0.144	32%	0.32	C	S	.	.			trans	-87.5	123.2	179.3	-62.9	-57.6	0	0	0	108.5	V441 A445 F597 W602 L605	V441-I600 HydrophobicContact CG1-CD1 3.98Å; V441-I600 HydrophobicContact CG1-CG1 3.78Å; A445-I600 HydrophobicContact CB-CG1 4.19Å; A445-I600 HydrophobicContact CB-CG2 4.15Å; F597-I600 HydrophobicContact CB-CB 4.34Å; F597-I600 HydrophobicContact CB-CG1 4.31Å; F597-I600 HydrophobicContact CD1-CG1 4.21Å; F597-I600 WeakPolarHBondContact O-CB 3.44Å; F597-I600 PolarHBondContact O-N 2.71Å; I600-W602 HydrophobicContact CG2-CD2 3.97Å; I600-W602 HydrophobicContact CG2-CE3 4.33Å; I600-W602 HydrophobicContact CG2-CG 4.22Å; I600-W602 HydrophobicContact CG2-CZ2 4.49Å; I600-L605 HydrophobicContact CG2-CB 4.39Å; I600-L605 HydrophobicContact CG2-CD2 3.84Å
601	D	97.2	Very high	95.7	Very high	68 Å²	68	74.7 Å²	74.7	36%	0.364	34%	0.341	S	S	.	.			trans	-88.3	102.8	163.3	-175.3	-29.6	0	0	0	107.1	E603 K604 L605 I610	D601-E603 VanDerWaalsContact C-N 3.33Å; D601-E603 PolarHBondContact O-N 3.36Å; D601-E603 PolarHBondContact OD1-N 3.19Å; D601-K604 HydrophobicContact CB-CB 4.07Å; D601-K604 HydrophobicContact CB-CD 4.25Å; D601-K604 HydrophobicContact CB-CG 4.25Å; D601-K604 PolarHBondContact O-N 3.25Å; D601-K604 PolarHBondContact OD1-N 2.79Å; D601-K604 VanDerWaalsContact OD2-CD 3.29Å; D601-K604 WeakPolarHBondContact OD2-CD 3.49Å; D601-K604 WeakPolarHBondContact OD2-CE 3.36Å; D601-K604 WeakPolarHBondContact OD2-CG 3.23Å; D601-K604 IonicContact OD2-NZ 3.98Å; D601-L605 WeakPolarHBondContact O-CB 3.4Å; D601-L605 PolarHBondContact O-N 2.78Å; D601-I610 HydrophobicContact CB-CD1 4.41Å
602	W	97.3	Very high	95.5	Very high	29 Å²	29	75.6 Å²	75.6	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-36.7	-171.6	-70	96.9	0	0	0	112.8	A445 S448 I449 F452 R592 F597 I600 L605 E606	A445-W602 HydrophobicContact CB-CH2 3.86Å; A445-W602 HydrophobicContact CB-CZ3 3.88Å; S448-W602 WeakPolarHBondContact OG-CH2 3.25Å; S448-W602 VanDerWaalsContact OG-CZ3 3.27Å; S448-W602 WeakPolarHBondContact OG-CZ3 3.28Å; I449-W602 HydrophobicContact CD1-CE3 4.1Å; I449-W602 HydrophobicContact CD1-CZ3 4.31Å; I449-W602 HydrophobicContact CG1-CE3 4.04Å; I449-W602 HydrophobicContact CG1-CZ3 4.03Å; F452-W602 HydrophobicContact CE2-CZ3 4.3Å; R592-W602 HydrophobicContact CB-CD2 4.34Å; R592-W602 HydrophobicContact CB-CZ2 4.07Å; R592-W602 HydrophobicContact CG-CD2 3.88Å; R592-W602 HydrophobicContact CG-CE3 4.25Å; R592-W602 HydrophobicContact CG-CG 4.34Å; R592-W602 HydrophobicContact CG-CH2 4.34Å; R592-W602 HydrophobicContact CG-CZ2 4Å; R592-W602 HydrophobicContact CG-CZ3 4.46Å; R592-W602 PolarHBondContact O-NE1 3.39Å; F597-W602 HydrophobicContact CB-CZ2 3.7Å; F597-W602 HydrophobicContact CD1-CH2 4.2Å; F597-W602 HydrophobicContact CD1-CZ2 4.05Å; F597-W602 HydrophobicContact CD2-CH2 4.36Å; F597-W602 AromaticContact CD2-CZ2 3.91Å; F597-W602 HydrophobicContact CD2-CZ2 3.91Å; F597-W602 HydrophobicContact CE1-CH2 4.48Å; F597-W602 HydrophobicContact CG-CH2 4.15Å; F597-W602 AromaticContact CG-CZ2 3.62Å; F597-W602 HydrophobicContact CG-CZ2 3.62Å; I600-W602 HydrophobicContact CG2-CD2 3.97Å; I600-W602 HydrophobicContact CG2-CE3 4.33Å; I600-W602 HydrophobicContact CG2-CG 4.22Å; I600-W602 HydrophobicContact CG2-CZ2 4.49Å; W602-L605 PolarHBondContact O-N 2.86Å; W602-E606 WeakPolarHBondContact O-CB 3.17Å; W602-E606 VanDerWaalsContact O-CG 3.29Å; W602-E606 WeakPolarHBondContact O-CG 3.49Å; W602-E606 PolarHBondContact O-N 2.82Å
603	E	96.3	Very high	95.1	Very high	145 Å²	145	76 Å²	76	68%	0.678	36%	0.357	S	S	*	.	H	α-helix	trans	-67.3	-47.2	179.4	-175.9	176.5	-167.4	0	0	110.4	D601 L605 E606 N607	D601-E603 VanDerWaalsContact C-N 3.33Å; D601-E603 PolarHBondContact O-N 3.36Å; D601-E603 PolarHBondContact OD1-N 3.19Å; E603-L605 VanDerWaalsContact C-N 3.29Å; E603-L605 PolarHBondContact O-N 3.28Å; E603-E606 PolarHBondContact O-N 3.07Å; E603-N607 PolarHBondContact O-N 3.4Å; E603-N607 PolarHBondContact O-ND2 3.46Å
604	K	96.1	Very high	94.7	Very high	99 Å²	99	73.5 Å²	73.5	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-37	174.8	-68.4	-168.9	-177.8	179	0	112.7	D601 N607 R608 E609 I610	D601-K604 HydrophobicContact CB-CB 4.07Å; D601-K604 HydrophobicContact CB-CD 4.25Å; D601-K604 HydrophobicContact CB-CG 4.25Å; D601-K604 PolarHBondContact O-N 3.25Å; D601-K604 PolarHBondContact OD1-N 2.79Å; D601-K604 VanDerWaalsContact OD2-CD 3.29Å; D601-K604 WeakPolarHBondContact OD2-CD 3.49Å; D601-K604 WeakPolarHBondContact OD2-CE 3.36Å; D601-K604 WeakPolarHBondContact OD2-CG 3.23Å; D601-K604 IonicContact OD2-NZ 3.98Å; K604-N607 PolarHBondContact O-N 3.24Å; K604-R608 PolarHBondContact O-N 3Å; K604-E609 HydrophobicContact CB-CB 4.08Å; K604-E609 HydrophobicContact CG-CB 4.5Å; K604-E609 WeakPolarHBondContact CG-OE2 3.35Å; K604-E609 WeakPolarHBondContact O-CB 3.44Å; K604-E609 PolarHBondContact O-N 3.08Å; K604-I610 HydrophobicContact CB-CD1 4.23Å; K604-I610 HydrophobicContact CB-CG1 3.9Å
605	L	95.6	Very high	94.2	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-48.7	176.9	-170.9	66.1	0	0	0	110.7	F399 F442 A445 E446 I449 I600 D601 W602 E603 N607 R608 I610	F399-L605 HydrophobicContact CZ-CG 4.47Å; F399-L605 VanDerWaalsContact CZ-O 3.31Å; F399-L605 WeakPolarHBondContact CZ-O 3.46Å; F442-L605 HydrophobicContact CD2-CD1 4.1Å; F442-L605 HydrophobicContact CE2-CD1 3.63Å; F442-L605 HydrophobicContact CZ-CD1 4.12Å; A445-L605 HydrophobicContact CB-CD2 3.32Å; E446-L605 HydrophobicContact CG-CD1 3.81Å; E446-L605 HydrophobicContact CG-CD2 4.06Å; E446-L605 HydrophobicContact CG-CG 4.05Å; I449-L605 HydrophobicContact CD1-CB 4.35Å; I449-L605 HydrophobicContact CD1-CD2 3.78Å; I449-L605 HydrophobicContact CD1-CG 3.99Å; I600-L605 HydrophobicContact CG2-CB 4.39Å; I600-L605 HydrophobicContact CG2-CD2 3.84Å; D601-L605 WeakPolarHBondContact O-CB 3.4Å; D601-L605 PolarHBondContact O-N 2.78Å; W602-L605 PolarHBondContact O-N 2.86Å; E603-L605 VanDerWaalsContact C-N 3.29Å; E603-L605 PolarHBondContact O-N 3.28Å; L605-N607 PolarHBondContact O-N 2.94Å; L605-R608 PolarHBondContact O-N 3.01Å; L605-I610 HydrophobicContact CB-CD1 3.91Å; L605-I610 HydrophobicContact CD1-CB 4.17Å; L605-I610 HydrophobicContact CD1-CD1 4.18Å; L605-I610 HydrophobicContact CD1-CG1 4.49Å
606	E	94.8	Very high	93.6	Very high	69 Å²	69	75.4 Å²	75.4	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-55.3	-35.7	176.4	-75.5	-179.8	-144.6	0	0	112	I449 R592 W602 E603 R608	I449-E606 HydrophobicContact CD1-CG 3.53Å; I449-E606 HydrophobicContact CG1-CG 3.91Å; I449-E606 HydrophobicContact CG2-CG 3.89Å; R592-E606 IonicContact CZ-OE1 2.75Å; R592-E606 VanDerWaalsContact CZ-OE1 3.32Å; R592-E606 IonicContact NH1-OE1 3.25Å; R592-E606 PolarHBondContact NH1-OE1 3.06Å; R592-E606 IonicContact NH2-OE1 3.74Å; R592-E606 PolarHBondContact NH2-OE1 2.88Å; W602-E606 WeakPolarHBondContact O-CB 3.17Å; W602-E606 VanDerWaalsContact O-CG 3.29Å; W602-E606 WeakPolarHBondContact O-CG 3.49Å; W602-E606 PolarHBondContact O-N 2.82Å; E603-E606 PolarHBondContact O-N 3.07Å; E606-R608 VanDerWaalsContact C-N 3.33Å; E606-R608 PolarHBondContact O-N 3.09Å
607	N	93.1	Very high	92.6	Very high	95 Å²	95	84 Å²	84	51%	0.508	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.1	176.3	-65.7	-21.9	0	0	0	114.9	E603 K604 L605 E609	E603-N607 PolarHBondContact O-N 3.4Å; E603-N607 PolarHBondContact O-ND2 3.46Å; K604-N607 PolarHBondContact O-N 3.24Å; L605-N607 PolarHBondContact O-N 2.94Å; N607-E609 HydrophobicContact CB-CG 3.86Å; N607-E609 WeakPolarHBondContact CB-OE1 3.32Å; N607-E609 PolarHBondContact ND2-OE1 2.96Å; N607-E609 PolarHBondContact O-N 2.87Å
608	R	93.4	Very high	91.4	Very high	68 Å²	68	86.5 Å²	86.5	26%	0.257	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	30.5	-174.5	-54.7	176.8	65.9	165.8	4.5	114.7	P398 F399 D472 H476 K604 L605 E606 I610	P398-R608 HydrophobicContact CB-CG 4.13Å; P398-R608 HydrophobicContact CG-CG 3.73Å; F399-R608 HydrophobicContact CE1-CG 4.35Å; F399-R608 HydrophobicContact CZ-CG 4.4Å; D472-R608 IonicContact OD1-NH2 2.75Å; D472-R608 IonicContact OD2-CZ 3.44Å; D472-R608 IonicContact OD2-NH1 2.77Å; D472-R608 IonicContact OD2-NH2 3.37Å; D472-R608 PolarHBondContact OD2-NH2 2.83Å; H476-R608 PolarHBondContact CD2-NH2 3.25Å; K604-R608 PolarHBondContact O-N 3Å; L605-R608 PolarHBondContact O-N 3.01Å; E606-R608 VanDerWaalsContact C-N 3.33Å; E606-R608 PolarHBondContact O-N 3.09Å; R608-I610 VanDerWaalsContact C-N 3.33Å
609	E	92.3	Very high	89.4	Confident	121 Å²	121	83.1 Å²	83.1	57%	0.565	40%	0.395	S	S	*	.			trans	-84.3	-12.1	177.8	-62.7	172.9	-156.2	0	0	112.6	K604 N607	K604-E609 HydrophobicContact CB-CB 4.08Å; K604-E609 HydrophobicContact CG-CB 4.5Å; K604-E609 WeakPolarHBondContact CG-OE2 3.35Å; K604-E609 WeakPolarHBondContact O-CB 3.44Å; K604-E609 PolarHBondContact O-N 3.08Å; N607-E609 HydrophobicContact CB-CG 3.86Å; N607-E609 WeakPolarHBondContact CB-OE1 3.32Å; N607-E609 PolarHBondContact ND2-OE1 2.96Å; N607-E609 PolarHBondContact O-N 2.87Å
610	I	91.3	Very high	87.8	Confident	42 Å²	42	76.9 Å²	76.9	22%	0.215	39%	0.393	C	S	.	.	S	Bend	trans	-91.3	121.3	176.1	-53.7	-173.6	0	0	0	109.4	F442 H476 D601 K604 L605 R608	F442-I610 HydrophobicContact CD2-CG2 4.1Å; F442-I610 HydrophobicContact CE2-CB 4.1Å; F442-I610 HydrophobicContact CE2-CG2 3.73Å; H476-I610 PolarHBondContact CE1-O 3.45Å; D601-I610 HydrophobicContact CB-CD1 4.41Å; K604-I610 HydrophobicContact CB-CD1 4.23Å; K604-I610 HydrophobicContact CB-CG1 3.9Å; L605-I610 HydrophobicContact CB-CD1 3.91Å; L605-I610 HydrophobicContact CD1-CB 4.17Å; L605-I610 HydrophobicContact CD1-CD1 4.18Å; L605-I610 HydrophobicContact CD1-CG1 4.49Å; R608-I610 VanDerWaalsContact C-N 3.33Å
611	Q	89.5	Confident	85.9	Confident	174 Å²	174	81 Å²	81	81%	0.813	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-63.3	131.1	179	-173.8	179.5	13.3	0	0	111.8
612	P	93	Very high	83.9	Confident	20 Å²	20	78.9 Å²	78.9	13%	0.13	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-60.9	145.1	175.5	-29.2	38.3	0	0	0	114	F442 E474 G475 H476 F614	F442-P612 HydrophobicContact CE1-CB 4.04Å; F442-P612 HydrophobicContact CE1-CG 4.27Å; F442-P612 HydrophobicContact CZ-CB 4.09Å; F442-P612 HydrophobicContact CZ-CG 3.97Å; E474-P612 WeakPolarHBondContact O-CG 3.31Å; G475-P612 WeakPolarHBondContact O-CB 3.29Å; H476-P612 WeakPolarHBondContact CD2-CG 3.22Å; H476-P612 VanDerWaalsContact NE2-CG 3.28Å; H476-P612 WeakPolarHBondContact NE2-CG 3.36Å; P612-F614 PolarHBondContact O-N 3.38Å
613	P	89.8	Confident	82.2	Confident	67 Å²	67	78 Å²	78	44%	0.435	40%	0.403	S	S	.	.	S	Bend	trans	-70.6	-19	-179.8	29.8	-37.2	0	0	0	113.2	Q439 F442 Y443	Q439-P613 HydrophobicContact CB-CB 4.12Å; Q439-P613 HydrophobicContact CB-CG 4.05Å; Q439-P613 HydrophobicContact CG-CB 4.26Å; Q439-P613 HydrophobicContact CG-CG 3.8Å; F442-P613 HydrophobicContact CB-CG 4.17Å; F442-P613 HydrophobicContact CD1-CG 3.96Å; F442-P613 HydrophobicContact CG-CG 4.14Å; Y443-P613 HydrophobicContact CE1-CG 4.13Å
614	F	89.7	Confident	80.9	Confident	74 Å²	74	76.7 Å²	76.7	33%	0.325	40%	0.397	S	S	.	.			trans	-145.2	126.7	-180	165.3	-100.9	0	0	0	109	H428 L471 G475 P612 P616	H428-F614 AromaticContact CE1-CE1 3.45Å; H428-F614 VanDerWaalsContact CE1-CE1 3.45Å; H428-F614 WeakPolarHBondContact CE1-CE1 3.22Å; H428-F614 AromaticContact CE1-CZ 3.83Å; H428-F614 AromaticContact ND1-CE1 3.53Å; H428-F614 AromaticContact ND1-CZ 3.79Å; L471-F614 HydrophobicContact CD1-CD1 3.77Å; L471-F614 HydrophobicContact CD1-CE1 3.96Å; G475-F614 WeakPolarHBondContact CA-O 3.17Å; P612-F614 PolarHBondContact O-N 3.38Å; F614-P616 HydrophobicContact CE1-CB 3.86Å; F614-P616 HydrophobicContact CZ-CB 4.21Å
615	K	88.3	Confident	79.4	Confident	117 Å²	117	73 Å²	73	51%	0.509	38%	0.382	S	S	.	.			trans	-103.3	117.4	172.5	-174.8	165.3	-177.8	157.5	0	108.8	S473 E474	S473-K615 WeakPolarHBondContact O-CE 3.27Å; E474-K615 WeakPolarHBondContact OE1-CE 3.37Å; E474-K615 IonicContact OE1-NZ 3.81Å; E474-K615 PolarHBondContact OE1-NZ 3.12Å; E474-K615 IonicContact OE2-NZ 3.48Å; E474-K615 PolarHBondContact OE2-NZ 2.9Å
616	P	84.5	Confident	77.8	Confident	6 Å²	6	74.5 Å²	74.5	4%	0.039	39%	0.388	C	S	.	.			trans	-65.3	148.8	-179.1	24.1	-29.9	0	0	0	111.1	D472 F614 V618	D472-P616 WeakPolarHBondContact O-CG 3.3Å; F614-P616 HydrophobicContact CE1-CB 3.86Å; F614-P616 HydrophobicContact CZ-CB 4.21Å; P616-V618 HydrophobicContact CG-CG1 4.45Å; P616-V618 PolarHBondContact O-N 2.88Å
617	K	78.2	Confident	76.4	Confident	189 Å²	189	74.3 Å²	74.3	82%	0.822	39%	0.39	S	S	*	.			trans	-76.8	114	170.6	-67.1	-178.6	-178.4	177.7	0	107.9	N625	K617-N625 PolarHBondContact O-ND2 3.43Å
618	V	74.1	Confident	75.2	Confident	55 Å²	55	76.4 Å²	76.4	33%	0.333	39%	0.394	S	S	.	.			trans	-114.2	132.5	177.8	-64.8	0	0	0	0	109.4	P616	P616-V618 HydrophobicContact CG-CG1 4.45Å; P616-V618 PolarHBondContact O-N 2.88Å
619	C	53.7	Low	73.7	Confident	79 Å²	79	79.9 Å²	79.9	53%	0.534	41%	0.411	S	S	.	.			trans	-124.8	100.6	-179.3	-95	0	0	0	0	110.4	K621 G622 E624	C619-K621 PolarHBondContact O-N 3.03Å; C619-G622 WeakPolarHBondContact O-CA 3.32Å; C619-G622 PolarHBondContact O-N 3.26Å; C619-E624 WeakPolarHBondContact CB-OE1 3.2Å
620	G	59.2	Low	72.3	Confident	69 Å²	69	76.2 Å²	76.2	71%	0.711	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	-131.9	168.2	0	0	0	0	0	115.1	G622	G620-G622 PolarHBondContact O-N 2.96Å
621	K	57.4	Low	71.2	Confident	114 Å²	114	76 Å²	76	50%	0.496	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	11.5	176.8	-60.8	-172.2	176.5	-175.2	0	113.4	L364 C619	L364-K621 HydrophobicContact CD1-CG 4.39Å; C619-K621 PolarHBondContact O-N 3.03Å
622	G	55.1	Low	70.4	Confident	25 Å²	25	77.5 Å²	77.5	26%	0.258	39%	0.392	S	S	.	.			trans	-84.1	138.5	-176.3	0	0	0	0	0	112.7	C619 G620 E624	C619-G622 WeakPolarHBondContact O-CA 3.32Å; C619-G622 PolarHBondContact O-N 3.26Å; G620-G622 PolarHBondContact O-N 2.96Å; G622-E624 VanDerWaalsContact C-N 3.3Å; G622-E624 PolarHBondContact O-N 2.91Å
623	A	61.5	Low	68.9	Low	9 Å²	9	78 Å²	78	7%	0.074	40%	0.402	C	S	.	.			trans	-95.4	52.9	172.1	0	0	0	0	0	111	M343 L345 N625 F626 T631	M343-A623 HydrophobicContact CE-CB 4.47Å; M343-A623 HydrophobicContact SD-CB 3.25Å; M343-A623 WeakPolarHBondContact SD-CB 3.5Å; L345-A623 HydrophobicContact CD2-CB 3.86Å; A623-N625 VanDerWaalsContact C-N 3.29Å; A623-N625 PolarHBondContact O-N 2.82Å; A623-F626 HydrophobicContact CB-CB 4.06Å; A623-F626 HydrophobicContact CB-CD2 3.69Å; A623-F626 HydrophobicContact CB-CG 4.13Å; A623-F626 WeakPolarHBondContact O-CB 3.17Å; A623-F626 PolarHBondContact O-N 3.48Å; A623-F626 VanDerWaalsContact O-N 3.11Å; A623-T631 HydrophobicContact CB-CG2 3.6Å
624	E	67.4	Low	67.9	Low	119 Å²	119	82.4 Å²	82.4	56%	0.556	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.9	-168.1	-40.4	-151.9	-148.4	0	0	112.9	C619 G622 F626	C619-E624 WeakPolarHBondContact CB-OE1 3.2Å; G622-E624 VanDerWaalsContact C-N 3.3Å; G622-E624 PolarHBondContact O-N 2.91Å; E624-F626 VanDerWaalsContact C-N 3.31Å
625	N	64.8	Low	67.3	Low	22 Å²	22	81 Å²	81	12%	0.118	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	10.5	173.4	-57.5	-44.3	0	0	0	112.3	N421 Y427 K617 A623	N421-N625 PolarHBondContact O-ND2 2.99Å; Y427-N625 HydrophobicContact CE1-CB 4.4Å; K617-N625 PolarHBondContact O-ND2 3.43Å; A623-N625 VanDerWaalsContact C-N 3.29Å; A623-N625 PolarHBondContact O-N 2.82Å
626	F	63.2	Low	66.8	Low	31 Å²	31	79.7 Å²	79.7	14%	0.136	42%	0.416	C	S	.	.	S	Bend	trans	-110.3	153.6	173.1	-67.8	-97.6	0	0	0	110.1	L345 Y419 V420 M470 A623 E624 K628 T631	L345-F626 HydrophobicContact CB-CD1 4.01Å; L345-F626 HydrophobicContact CB-CE1 4.03Å; L345-F626 HydrophobicContact CD1-CE1 4.24Å; L345-F626 HydrophobicContact CD1-CZ 4.3Å; L345-F626 HydrophobicContact CD2-CD1 3.89Å; L345-F626 HydrophobicContact CD2-CD2 4.06Å; L345-F626 HydrophobicContact CD2-CE1 4Å; L345-F626 HydrophobicContact CD2-CE2 4.17Å; L345-F626 HydrophobicContact CD2-CG 3.92Å; L345-F626 HydrophobicContact CD2-CZ 4.13Å; L345-F626 HydrophobicContact CG-CD1 4.45Å; L345-F626 HydrophobicContact CG-CE1 4.31Å; Y419-F626 AromaticContact CE2-CE2 3.64Å; Y419-F626 HydrophobicContact CE2-CE2 3.64Å; Y419-F626 AromaticContact CE2-CZ 3.67Å; Y419-F626 HydrophobicContact CE2-CZ 3.67Å; Y419-F626 AromaticContact CZ-CE2 3.85Å; Y419-F626 VanDerWaalsContact OH-CE2 3.28Å; Y419-F626 WeakPolarHBondContact OH-CE2 3.2Å; V420-F626 WeakPolarHBondContact O-CZ 3.44Å; M470-F626 HydrophobicContact CE-CE1 4.01Å; M470-F626 HydrophobicContact CE-CZ 4.02Å; A623-F626 HydrophobicContact CB-CB 4.06Å; A623-F626 HydrophobicContact CB-CD2 3.69Å; A623-F626 HydrophobicContact CB-CG 4.13Å; A623-F626 WeakPolarHBondContact O-CB 3.17Å; A623-F626 PolarHBondContact O-N 3.48Å; A623-F626 VanDerWaalsContact O-N 3.11Å; E624-F626 VanDerWaalsContact C-N 3.31Å; F626-K628 PolarHBondContact O-N 2.98Å; F626-T631 HydrophobicContact CB-CG2 3.88Å
627	D	64.4	Low	66.4	Low	65 Å²	65	81.1 Å²	81.1	35%	0.348	42%	0.424	S	S	.	.			trans	-59.4	125.5	-178.7	-171.7	-20.7	0	0	0	111.4	F629 F630 T631	D627-F629 PolarHBondContact O-N 3.34Å; D627-F629 VanDerWaalsContact O-N 3.14Å; D627-F629 WeakPolarHBondContact OD1-CB 3.43Å; D627-F629 PolarHBondContact OD1-N 2.76Å; D627-F630 HydrophobicContact CB-CD2 3.83Å; D627-F630 HydrophobicContact CB-CE2 4.16Å; D627-F630 PolarHBondContact O-N 2.99Å; D627-T631 PolarHBondContact O-N 3.05Å
628	K	69.3	Low	66.3	Low	138 Å²	138	75.5 Å²	75.5	60%	0.6	41%	0.405	S	S	*	.	H	α-helix	trans	-59.3	-23.5	179	-66.7	-177.2	-177.5	175.6	0	113	F626 F630 T631 R632	F626-K628 PolarHBondContact O-N 2.98Å; K628-F630 VanDerWaalsContact C-N 3.34Å; K628-T631 WeakPolarHBondContact CA-OG1 3.47Å; K628-R632 WeakPolarHBondContact O-CB 3.29Å; K628-R632 WeakPolarHBondContact O-CD 3.34Å; K628-R632 WeakPolarHBondContact O-CG 3.35Å; K628-R632 PolarHBondContact O-N 3.05Å
629	F	61.3	Low	66.1	Low	142 Å²	142	78 Å²	78	62%	0.623	42%	0.422	S	S	*	.	H	α-helix	trans	-59.6	-45.1	172.8	178.7	-98.8	0	0	0	111.6	D627	D627-F629 PolarHBondContact O-N 3.34Å; D627-F629 VanDerWaalsContact O-N 3.14Å; D627-F629 WeakPolarHBondContact OD1-CB 3.43Å; D627-F629 PolarHBondContact OD1-N 2.76Å
630	F	62.4	Low	66.7	Low	44 Å²	44	77.9 Å²	77.9	19%	0.193	42%	0.421	C	S	.	.	H	α-helix	trans	-78.6	-42.4	-179.7	-59.4	-60.4	0	0	0	112	V344 K347 D627 K628 R632 G633	V344-F630 HydrophobicContact CG1-CB 4.43Å; V344-F630 CarbonylContact O-C 3.55Å; V344-F630 WeakPolarHBondContact O-CB 3.33Å; K347-F630 HydrophobicContact CB-CD1 4.5Å; K347-F630 HydrophobicContact CB-CE1 4.07Å; D627-F630 HydrophobicContact CB-CD2 3.83Å; D627-F630 HydrophobicContact CB-CE2 4.16Å; D627-F630 PolarHBondContact O-N 2.99Å; K628-F630 VanDerWaalsContact C-N 3.34Å; F630-R632 PolarHBondContact O-N 2.89Å; F630-G633 PolarHBondContact O-N 2.91Å
631	T	67.7	Low	67.3	Low	37 Å²	37	78.8 Å²	78.8	23%	0.227	41%	0.409	C	S	.	.	H	α-helix	trans	-69.7	-17.1	-175.1	62.1	0	0	0	0	113.5	M343 V344 A623 F626 D627 K628	M343-T631 HydrophobicContact SD-CG2 4.15Å; V344-T631 PolarHBondContact O-N 3Å; A623-T631 HydrophobicContact CB-CG2 3.6Å; F626-T631 HydrophobicContact CB-CG2 3.88Å; D627-T631 PolarHBondContact O-N 3.05Å; K628-T631 WeakPolarHBondContact CA-OG1 3.47Å
632	R	72.9	Confident	67.7	Low	205 Å²	205	81.1 Å²	81.1	77%	0.774	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.8	169.7	-72.9	173	-178.1	-175.6	0.5	114.2	K628 F630	K628-R632 WeakPolarHBondContact O-CB 3.29Å; K628-R632 WeakPolarHBondContact O-CD 3.34Å; K628-R632 WeakPolarHBondContact O-CG 3.35Å; K628-R632 PolarHBondContact O-N 3.05Å; F630-R632 PolarHBondContact O-N 2.89Å
633	G	62.8	Low	67.9	Low	32 Å²	32	86 Å²	86	33%	0.33	44%	0.441	S	S	.	.	S	Bend	trans	-69.1	145.6	-179.8	0	0	0	0	0	112.2	F630	F630-G633 PolarHBondContact O-N 2.91Å
634	Q	67.1	Low	68.1	Low	158 Å²	158	87.6 Å²	87.6	74%	0.738	45%	0.45	S	S	*	.			trans	-65.7	133.2	174.6	-70.9	-169.7	-7.6	0	0	110.8	V636	Q634-V636 HydrophobicContact CB-CG2 4.23Å; Q634-V636 PolarHBondContact O-N 2.82Å
635	P	78.9	Confident	68.3	Low	46 Å²	46	83.7 Å²	83.7	30%	0.299	43%	0.433	S	S	.	.			trans	-79.1	56.4	-179.7	33.8	-37.1	0	0	0	112	F341 M354	F341-P635 HydrophobicContact CB-CB 4.06Å; M354-P635 VanDerWaalsContact CE-C 3.44Å; M354-P635 HydrophobicContact CE-CB 3.54Å
636	V	77.4	Confident	68.5	Low	88 Å²	88	86.4 Å²	86.4	53%	0.533	46%	0.458	S	S	.	.			trans	-118.5	131.8	-177	-174.6	0	0	0	0	110.3	Q634	Q634-V636 HydrophobicContact CB-CG2 4.23Å; Q634-V636 PolarHBondContact O-N 2.82Å
637	L	76.5	Confident	69	Low	37 Å²	37	91.6 Å²	91.6	19%	0.194	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-76.7	137.6	171.4	-60.7	-179.9	0	0	0	109.9	L336 F341 M354 I369 Y414	L336-L637 HydrophobicContact CD1-CD1 4.48Å; L336-L637 HydrophobicContact CD2-CD1 4.41Å; F341-L637 HydrophobicContact CE2-CD1 4.04Å; F341-L637 HydrophobicContact CE2-CG 4.4Å; F341-L637 HydrophobicContact CZ-CD1 4.45Å; M354-L637 HydrophobicContact SD-CD2 3.77Å; I369-L637 HydrophobicContact CD1-CD1 4.49Å; I369-L637 HydrophobicContact CD1-CD2 3.63Å; I369-L637 HydrophobicContact CG2-CD2 4.3Å; Y414-L637 HydrophobicContact CE1-CD1 4.28Å
638	T	76.1	Confident	69.5	Low	70 Å²	70	89.2 Å²	89.2	43%	0.429	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-57.8	134	170.4	-46.7	0	0	0	0	109.4	R412	R412-T638 PolarHBondContact NH2-O 3.46Å
639	P	69.1	Low	70.2	Confident	108 Å²	108	86.8 Å²	86.8	70%	0.701	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-55.3	145.1	178.4	-26.3	34.6	0	0	0	112.5
640	P	65.3	Low	71.4	Confident	77 Å²	77	83.5 Å²	83.5	50%	0.5	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-66	134.8	175.4	21.3	-28.2	0	0	0	111.8	D411 I645	D411-P640 HydrophobicContact CB-CB 4.33Å; P640-I645 HydrophobicContact CB-CD1 3.59Å
641	D	73	Confident	72.7	Confident	87 Å²	87	84.7 Å²	84.7	47%	0.465	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-88.5	116.8	170.6	-177.1	-31.4	0	0	0	109.7	L643 V644 I645	D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 3.4Å; D641-L643 WeakPolarHBondContact OD1-CB 3.26Å; D641-L643 PolarHBondContact OD1-N 3.46Å; D641-V644 HydrophobicContact CB-CB 3.95Å; D641-V644 HydrophobicContact CB-CG2 3.81Å; D641-V644 PolarHBondContact O-N 3.01Å; D641-V644 PolarHBondContact OD1-N 3.11Å; D641-I645 WeakPolarHBondContact O-CD1 3.4Å; D641-I645 VanDerWaalsContact O-CG1 3.25Å; D641-I645 WeakPolarHBondContact O-CG1 3.33Å; D641-I645 PolarHBondContact O-N 3.3Å
642	Q	65.4	Low	73.6	Confident	163 Å²	163	86.2 Å²	86.2	76%	0.762	48%	0.475	S	S	*	.	H	α-helix	trans	-67.2	-30.8	-176.6	-67.8	-171.4	-2.1	0	0	113.6	A646	Q642-A646 WeakPolarHBondContact O-CB 3.37Å; Q642-A646 PolarHBondContact O-N 2.98Å
643	L	58.6	Low	74.6	Confident	128 Å²	128	76.5 Å²	76.5	67%	0.67	44%	0.439	S	S	*	.	H	α-helix	trans	-72.6	-37.5	177.7	-67.5	174.5	0	0	0	110.6	D641 N647	D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 3.4Å; D641-L643 WeakPolarHBondContact OD1-CB 3.26Å; D641-L643 PolarHBondContact OD1-N 3.46Å; L643-N647 PolarHBondContact O-N 2.65Å; L643-N647 PolarHBondContact O-ND2 3.08Å
644	V	65.9	Low	76	Confident	43 Å²	43	82.3 Å²	82.3	26%	0.261	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-48	172.4	175.6	0	0	0	0	110.2	D373 D641 A646 N647 I648	D373-V644 HydrophobicContact CB-CG1 3.34Å; D641-V644 HydrophobicContact CB-CB 3.95Å; D641-V644 HydrophobicContact CB-CG2 3.81Å; D641-V644 PolarHBondContact O-N 3.01Å; D641-V644 PolarHBondContact OD1-N 3.11Å; V644-A646 VanDerWaalsContact C-N 3.3Å; V644-A646 PolarHBondContact O-N 3Å; V644-N647 PolarHBondContact O-N 3.18Å; V644-I648 HydrophobicContact CG1-CD1 4.01Å; V644-I648 HydrophobicContact CG1-CG1 4.39Å; V644-I648 WeakPolarHBondContact O-CG1 3Å; V644-I648 PolarHBondContact O-N 3.12Å; V644-I648 VanDerWaalsContact O-N 3.12Å
645	I	71.8	Confident	77.2	Confident	36 Å²	36	77.2 Å²	77.2	19%	0.185	45%	0.447	C	S	.	.	H	α-helix	trans	-55.9	-43.1	177.7	-69.8	161.6	0	0	0	112.3	V410 D411 P640 D641 N647 I648	V410-I645 HydrophobicContact CB-CG2 3.9Å; V410-I645 HydrophobicContact CG2-CD1 3.74Å; V410-I645 HydrophobicContact CG2-CG1 4.22Å; V410-I645 HydrophobicContact CG2-CG2 4.09Å; D411-I645 HydrophobicContact CB-CD1 4.02Å; D411-I645 HydrophobicContact CB-CG1 3.85Å; P640-I645 HydrophobicContact CB-CD1 3.59Å; D641-I645 WeakPolarHBondContact O-CD1 3.4Å; D641-I645 VanDerWaalsContact O-CG1 3.25Å; D641-I645 WeakPolarHBondContact O-CG1 3.33Å; D641-I645 PolarHBondContact O-N 3.3Å; I645-N647 PolarHBondContact O-N 3.1Å; I645-I648 PolarHBondContact O-N 2.89Å
646	A	69.2	Low	77.9	Confident	80 Å²	80	75 Å²	75	66%	0.661	43%	0.433	S	S	*	.	H	α-helix	trans	-63.8	-23.2	-179.9	0	0	0	0	0	113.3	Q642 V644	Q642-A646 WeakPolarHBondContact O-CB 3.37Å; Q642-A646 PolarHBondContact O-N 2.98Å; V644-A646 VanDerWaalsContact C-N 3.3Å; V644-A646 PolarHBondContact O-N 3Å
647	N	73.2	Confident	78.7	Confident	139 Å²	139	73 Å²	73	74%	0.743	42%	0.422	S	S	*	.	H	α-helix	trans	-101.3	-3.8	179.8	-67.9	-51.7	0	0	0	113.5	L643 V644 I645 D649	L643-N647 PolarHBondContact O-N 2.65Å; L643-N647 PolarHBondContact O-ND2 3.08Å; V644-N647 PolarHBondContact O-N 3.18Å; I645-N647 PolarHBondContact O-N 3.1Å; N647-D649 PolarHBondContact O-N 3.14Å
648	I	76.3	Confident	79.6	Confident	16 Å²	16	73.6 Å²	73.6	8%	0.082	42%	0.422	C	S	.	.	S	Bend	trans	-78.1	120.5	173.8	-71.8	163.7	0	0	0	108.5	K372 D373 I376 V644 I645 Q650 F653	K372-I648 HydrophobicContact CB-CD1 3.87Å; K372-I648 HydrophobicContact CB-CG2 4.16Å; K372-I648 HydrophobicContact CD-CG2 4.18Å; D373-I648 HydrophobicContact CB-CD1 4.2Å; I376-I648 HydrophobicContact CD1-CB 4.43Å; I376-I648 HydrophobicContact CD1-CG1 4.33Å; I376-I648 HydrophobicContact CD1-CG2 3.79Å; V644-I648 HydrophobicContact CG1-CD1 4.01Å; V644-I648 HydrophobicContact CG1-CG1 4.39Å; V644-I648 WeakPolarHBondContact O-CG1 3Å; V644-I648 PolarHBondContact O-N 3.12Å; V644-I648 VanDerWaalsContact O-N 3.12Å; I645-I648 PolarHBondContact O-N 2.89Å; I648-Q650 VanDerWaalsContact CG2-NE2 3.3Å; I648-Q650 PolarHBondContact O-N 2.88Å; I648-Q650 VanDerWaalsContact O-N 3.14Å; I648-F653 HydrophobicContact CG2-CE2 4.41Å
649	D	83.2	Confident	80.5	Confident	87 Å²	87	73.7 Å²	73.7	47%	0.465	42%	0.423	S	S	.	.			trans	-67.5	110.9	166	-166.3	-21.9	0	0	0	109	N647 S651	N647-D649 PolarHBondContact O-N 3.14Å; D649-S651 VanDerWaalsContact CG-OG 3.24Å; D649-S651 PolarHBondContact O-N 2.76Å; D649-S651 WeakPolarHBondContact OD1-CB 3.3Å; D649-S651 PolarHBondContact OD1-N 2.84Å; D649-S651 PolarHBondContact OD1-OG 3.35Å; D649-S651 PolarHBondContact OD2-OG 3.06Å
650	Q	87	Confident	81.6	Confident	73 Å²	73	69.2 Å²	69.2	34%	0.341	39%	0.393	S	S	.	.	S	Bend	trans	-74.9	-17.2	-177.6	-61.6	-65.2	-40.7	0	0	112.2	V410 I648 D652 F653	V410-Q650 PolarHBondContact O-NE2 2.92Å; I648-Q650 VanDerWaalsContact CG2-NE2 3.3Å; I648-Q650 PolarHBondContact O-N 2.88Å; I648-Q650 VanDerWaalsContact O-N 3.14Å; Q650-D652 VanDerWaalsContact C-N 3.3Å; Q650-F653 PolarHBondContact O-N 3.1Å
651	S	89.8	Confident	82.7	Confident	69 Å²	69	70.9 Å²	70.9	48%	0.483	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-70.9	-27	-179	69.5	0	0	0	0	112.6	D649 F653 E654	D649-S651 VanDerWaalsContact CG-OG 3.24Å; D649-S651 PolarHBondContact O-N 2.76Å; D649-S651 WeakPolarHBondContact OD1-CB 3.3Å; D649-S651 PolarHBondContact OD1-N 2.84Å; D649-S651 PolarHBondContact OD1-OG 3.35Å; D649-S651 PolarHBondContact OD2-OG 3.06Å; S651-F653 PolarHBondContact O-N 3.02Å; S651-E654 WeakPolarHBondContact O-CB 3.27Å; S651-E654 PolarHBondContact O-N 2.85Å
652	D	87.3	Confident	83.5	Confident	69 Å²	69	70.7 Å²	70.7	37%	0.369	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-56.3	-24.4	175	-71.9	-19.4	0	0	0	113.4	V381 Q650	V381-D652 HydrophobicContact CG1-CB 4.07Å; V381-D652 WeakPolarHBondContact CG1-O 3.49Å; Q650-D652 VanDerWaalsContact C-N 3.3Å
653	F	93.3	Very high	84.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-112.8	17.9	-178.2	-55.2	-69.4	0	0	0	113.3	K372 V375 I376 V381 Q408 L413 I648 Q650 S651 F656	K372-F653 HydrophobicContact CB-CD2 4.44Å; K372-F653 HydrophobicContact CB-CE2 3.68Å; K372-F653 HydrophobicContact CB-CZ 4.07Å; K372-F653 HydrophobicContact CD-CD2 3.6Å; K372-F653 HydrophobicContact CD-CE2 3.72Å; K372-F653 HydrophobicContact CD-CG 4.39Å; K372-F653 HydrophobicContact CG-CD2 3.87Å; K372-F653 HydrophobicContact CG-CE2 3.55Å; K372-F653 HydrophobicContact CG-CZ 3.99Å; V375-F653 HydrophobicContact CB-CZ 4.39Å; V375-F653 HydrophobicContact CG1-CE1 3.98Å; V375-F653 HydrophobicContact CG1-CZ 4.11Å; I376-F653 HydrophobicContact CD1-CE2 3.85Å; I376-F653 HydrophobicContact CD1-CZ 4.22Å; I376-F653 HydrophobicContact CG1-CE2 4.12Å; I376-F653 HydrophobicContact CG1-CZ 3.97Å; V381-F653 HydrophobicContact CG1-CD1 4.43Å; V381-F653 HydrophobicContact CG1-CE1 4.08Å; V381-F653 HydrophobicContact CG2-CE1 4.15Å; V381-F653 HydrophobicContact CG2-CZ 4.09Å; Q408-F653 PolarHBondContact NE2-O 3.39Å; L413-F653 HydrophobicContact CD1-CD1 3.61Å; L413-F653 HydrophobicContact CD1-CE1 3.6Å; L413-F653 HydrophobicContact CD1-CG 4.42Å; L413-F653 HydrophobicContact CD1-CZ 4.4Å; L413-F653 HydrophobicContact CD2-CB 4.15Å; L413-F653 HydrophobicContact CD2-CD1 4.01Å; L413-F653 HydrophobicContact CD2-CG 4.05Å; L413-F653 HydrophobicContact CG-CD1 4.33Å; I648-F653 HydrophobicContact CG2-CE2 4.41Å; Q650-F653 PolarHBondContact O-N 3.1Å; S651-F653 PolarHBondContact O-N 3.02Å; F653-F656 VanDerWaalsContact O-CB 3.32Å; F653-F656 WeakPolarHBondContact O-CB 3.41Å; F653-F656 PolarHBondContact O-N 2.82Å
654	E	91.4	Very high	85.6	Confident	155 Å²	155	61.5 Å²	61.5	72%	0.724	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	140.3	174.6	-164.4	170.8	-163.1	0	0	110.8	M385 S651 F656	M385-E654 VanDerWaalsContact CE-O 3.28Å; M385-E654 WeakPolarHBondContact CE-O 3.48Å; S651-E654 WeakPolarHBondContact O-CB 3.27Å; S651-E654 PolarHBondContact O-N 2.85Å; E654-F656 VanDerWaalsContact C-N 3.28Å; E654-F656 PolarHBondContact O-N 2.91Å
655	G	91.8	Very high	86.2	Confident	50 Å²	50	60 Å²	60	52%	0.515	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	6.7	-176.9	0	0	0	0	0	115.9	K388	K388-G655 PolarHBondContact NZ-O 3.26Å
656	F	95.1	Very high	86.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.352	C	S	.	.			trans	-64.1	-40.6	176	-174.2	-95.1	0	0	0	113.1	T384 M385 K388 C406 F407 Q408 L413 F415 F653 E654 Y658	T384-F656 HydrophobicContact CG2-CE2 4.1Å; M385-F656 HydrophobicContact SD-CB 4.34Å; M385-F656 HydrophobicContact SD-CD2 3.86Å; K388-F656 HydrophobicContact CB-CD2 4.48Å; K388-F656 HydrophobicContact CB-CE2 4.26Å; K388-F656 WeakPolarHBondContact CE-O 3.46Å; K388-F656 HydrophobicContact CG-CD2 4.45Å; K388-F656 HydrophobicContact CG-CE2 4.46Å; C406-F656 HydrophobicContact CB-CD1 4.08Å; C406-F656 HydrophobicContact CB-CE1 3.66Å; C406-F656 HydrophobicContact CB-CZ 4.08Å; C406-F656 WeakPolarHBondContact CB-O 3.36Å; F407-F656 VanDerWaalsContact O-CE1 3.26Å; F407-F656 WeakPolarHBondContact O-CE1 3.27Å; Q408-F656 HydrophobicContact CB-CD1 4.07Å; L413-F656 HydrophobicContact CB-CE1 3.91Å; L413-F656 HydrophobicContact CB-CE2 4.11Å; L413-F656 HydrophobicContact CB-CZ 3.67Å; L413-F656 HydrophobicContact CD1-CD2 4.32Å; L413-F656 HydrophobicContact CD1-CE2 4.06Å; L413-F656 HydrophobicContact CD1-CZ 4.47Å; L413-F656 HydrophobicContact CD2-CD1 3.9Å; L413-F656 HydrophobicContact CD2-CD2 4.05Å; L413-F656 HydrophobicContact CD2-CE1 4.1Å; L413-F656 HydrophobicContact CD2-CE2 4.25Å; L413-F656 HydrophobicContact CD2-CG 3.89Å; L413-F656 HydrophobicContact CD2-CZ 4.29Å; L413-F656 HydrophobicContact CG-CE2 4.38Å; L413-F656 HydrophobicContact CG-CZ 4.36Å; F415-F656 HydrophobicContact CD1-CZ 4.33Å; F415-F656 AromaticContact CD2-CZ 3.98Å; F415-F656 HydrophobicContact CD2-CZ 3.98Å; F415-F656 HydrophobicContact CE1-CE2 4.01Å; F415-F656 AromaticContact CE1-CZ 3.95Å; F415-F656 HydrophobicContact CE1-CZ 3.95Å; F415-F656 AromaticContact CE2-CE2 3.84Å; F415-F656 HydrophobicContact CE2-CE2 3.84Å; F415-F656 AromaticContact CE2-CZ 3.55Å; F415-F656 HydrophobicContact CE2-CZ 3.55Å; F415-F656 HydrophobicContact CG-CZ 4.35Å; F415-F656 AromaticContact CZ-CE2 3.47Å; F415-F656 HydrophobicContact CZ-CE2 3.47Å; F415-F656 VanDerWaalsContact CZ-CE2 3.47Å; F415-F656 AromaticContact CZ-CZ 3.55Å; F415-F656 HydrophobicContact CZ-CZ 3.55Å; F653-F656 VanDerWaalsContact O-CB 3.32Å; F653-F656 WeakPolarHBondContact O-CB 3.41Å; F653-F656 PolarHBondContact O-N 2.82Å; E654-F656 VanDerWaalsContact C-N 3.28Å; E654-F656 PolarHBondContact O-N 2.91Å; F656-Y658 PolarHBondContact O-N 3.02Å
657	S	94	Very high	85.8	Confident	45 Å²	45	61 Å²	61	32%	0.315	34%	0.343	S	S	.	.			trans	-65	134.2	-175.9	-54	0	0	0	0	112.4	C406	C406-S657 CarbonylContact O-C 3.55Å; C406-S657 VanDerWaalsContact O-CA 3.27Å; C406-S657 WeakPolarHBondContact O-CA 3.4Å
658	Y	94.8	Very high	85	Confident	51 Å²	51	59.6 Å²	59.6	20%	0.2	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	147.6	-176.4	171.3	-104.7	0	0	0	110.3	A392 L403 S405 C406 F656 N660	A392-Y658 HydrophobicContact CB-CD1 3.88Å; A392-Y658 HydrophobicContact CB-CE1 3.55Å; A392-Y658 HydrophobicContact CB-CE2 4.37Å; A392-Y658 HydrophobicContact CB-CG 4.41Å; L403-Y658 HydrophobicContact CD2-CD1 3.77Å; L403-Y658 HydrophobicContact CD2-CE1 4.02Å; S405-Y658 CarbonylContact C-O 3.59Å; S405-Y658 WeakPolarHBondContact CA-O 3.47Å; S405-Y658 VanDerWaalsContact CB-O 3.31Å; S405-Y658 WeakPolarHBondContact CB-O 3.1Å; C406-Y658 PolarHBondContact N-O 2.75Å; C406-Y658 PolarHBondContact O-N 2.93Å; F656-Y658 PolarHBondContact O-N 3.02Å; Y658-N660 HydrophobicContact CE1-CB 3.76Å
659	V	94.4	Very high	83.9	Confident	71 Å²	71	63.7 Å²	63.7	43%	0.43	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129	170.6	-179.6	0	0	0	0	107	V334 P661	V334-V659 HydrophobicContact CG2-CG2 4.19Å; V659-P661 WeakPolarHBondContact O-CD 3.4Å
660	N	92.2	Very high	82	Confident	14 Å²	14	64.2 Å²	64.2	8%	0.075	37%	0.365	C	S	.	.			trans	-81.6	115.5	-176.9	-176.4	-3.3	0	0	0	110.6	L403 H404 Y658 Q662 F663	L403-N660 WeakPolarHBondContact O-CB 3.34Å; L403-N660 PolarHBondContact O-ND2 3.35Å; H404-N660 WeakPolarHBondContact O-CB 3.43Å; H404-N660 PolarHBondContact O-N 3.3Å; Y658-N660 HydrophobicContact CE1-CB 3.76Å; N660-Q662 VanDerWaalsContact C-N 3.27Å; N660-Q662 PolarHBondContact O-N 3.44Å; N660-Q662 PolarHBondContact OD1-N 2.72Å; N660-F663 HydrophobicContact CB-CB 4.11Å
661	P	89.6	Confident	79.4	Confident	112 Å²	112	64.8 Å²	64.8	73%	0.727	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.2	179.3	31.2	-35.5	0	0	0	113.5	V659	V659-P661 WeakPolarHBondContact O-CD 3.4Å
662	Q	89.5	Confident	76.4	Confident	84 Å²	84	70.7 Å²	70.7	39%	0.393	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	1.8	-178.7	-66.1	-178	-30.3	0	0	113	L394 D395 N660 V664	L394-Q662 HydrophobicContact CD2-CG 4.35Å; D395-Q662 PolarHBondContact OD1-NE2 3.27Å; N660-Q662 VanDerWaalsContact C-N 3.27Å; N660-Q662 PolarHBondContact O-N 3.44Å; N660-Q662 PolarHBondContact OD1-N 2.72Å; Q662-V664 PolarHBondContact O-N 3.43Å
663	F	88.5	Confident	75.9	Confident	31 Å²	31	70.8 Å²	70.8	14%	0.136	42%	0.417	C	S	.	.			trans	-67.8	118.3	-177.7	-175.9	-90.7	0	0	0	110.8	Y365 Q402 L403 H404 E418 N660 H665	Y365-F663 AromaticContact CE1-CE1 3.91Å; Y365-F663 HydrophobicContact CE1-CE1 3.91Å; Y365-F663 AromaticContact CE1-CZ 3.92Å; Y365-F663 HydrophobicContact CE1-CZ 3.92Å; Q402-F663 HydrophobicContact CB-CD2 3.99Å; Q402-F663 HydrophobicContact CB-CE2 3.86Å; L403-F663 WeakPolarHBondContact O-CD2 3.09Å; H404-F663 HydrophobicContact CB-CD1 4.19Å; H404-F663 HydrophobicContact CB-CD2 3.94Å; H404-F663 HydrophobicContact CB-CE1 4.21Å; H404-F663 HydrophobicContact CB-CE2 3.95Å; H404-F663 HydrophobicContact CB-CG 4.05Å; H404-F663 HydrophobicContact CB-CZ 4.09Å; H404-F663 AromaticContact CD2-CD1 3.6Å; H404-F663 AromaticContact CD2-CE1 3.9Å; E418-F663 HydrophobicContact CB-CE2 4.09Å; E418-F663 HydrophobicContact CB-CZ 4.23Å; N660-F663 HydrophobicContact CB-CB 4.11Å; F663-H665 HydrophobicContact CE1-CB 4.15Å
664	V	79.6	Confident	75	Confident	66 Å²	66	74.5 Å²	74.5	40%	0.4	44%	0.439	S	S	.	.			trans	-108.4	119.9	173.3	-175.1	0	0	0	0	108.4	Q662 Q669	Q662-V664 PolarHBondContact O-N 3.43Å; V664-Q669 HydrophobicContact CG1-CG 3.78Å
665	H	78.3	Confident	74.1	Confident	12 Å²	12	70.1 Å²	70.1	6%	0.056	42%	0.423	C	S	.	.			trans	-67.5	133.7	-178.9	-167.1	-82.5	0	0	0	110.8	E363 F663 I667 L668	E363-H665 WeakPolarHBondContact CB-NE2 3.38Å; F663-H665 HydrophobicContact CE1-CB 4.15Å; H665-I667 VanDerWaalsContact C-N 3.28Å; H665-I667 VanDerWaalsContact CE1-CD1 3.43Å; H665-I667 WeakPolarHBondContact CE1-CD1 3.43Å; H665-I667 VanDerWaalsContact CE1-CG1 3.5Å; H665-I667 WeakPolarHBondContact CE1-CG1 3.35Å; H665-I667 WeakPolarHBondContact ND1-CB 3.25Å; H665-I667 PolarHBondContact ND1-N 3.42Å; H665-I667 PolarHBondContact O-N 3.3Å; H665-I667 VanDerWaalsContact O-N 3.17Å; H665-L668 HydrophobicContact CB-CD1 4.18Å; H665-L668 HydrophobicContact CB-CG 4.39Å; H665-L668 WeakPolarHBondContact O-CB 3.2Å; H665-L668 PolarHBondContact O-N 3.4Å
666	P	68.9	Low	73	Confident	41 Å²	41	71.2 Å²	71.2	27%	0.266	42%	0.418	S	S	.	.	H	α-helix	trans	-54.4	-37.3	-177.1	-29.1	35	0	0	0	114.8	L668 Q669 S670	P666-L668 PolarHBondContact O-N 3.46Å; P666-Q669 WeakPolarHBondContact O-CB 3.24Å; P666-Q669 PolarHBondContact O-N 3.4Å; P666-S670 PolarHBondContact O-N 2.83Å; P666-S670 PolarHBondContact O-OG 2.85Å; P666-S670 VanDerWaalsContact O-OG 3.07Å
667	I	63.6	Low	71.7	Confident	95 Å²	95	75.7 Å²	75.7	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-57.3	-34	176	-65.3	172.5	0	0	0	112.2	H665 Q669	H665-I667 VanDerWaalsContact C-N 3.28Å; H665-I667 VanDerWaalsContact CE1-CD1 3.43Å; H665-I667 WeakPolarHBondContact CE1-CD1 3.43Å; H665-I667 VanDerWaalsContact CE1-CG1 3.5Å; H665-I667 WeakPolarHBondContact CE1-CG1 3.35Å; H665-I667 WeakPolarHBondContact ND1-CB 3.25Å; H665-I667 PolarHBondContact ND1-N 3.42Å; H665-I667 PolarHBondContact O-N 3.3Å; H665-I667 VanDerWaalsContact O-N 3.17Å; I667-Q669 VanDerWaalsContact C-N 3.34Å
668	L	56	Low	70.2	Confident	111 Å²	111	77.7 Å²	77.7	58%	0.581	45%	0.452	S	S	*	.	H	α-helix	trans	-78.5	-20.7	179.9	-62.4	172.7	0	0	0	112.4	H665 P666	H665-L668 HydrophobicContact CB-CD1 4.18Å; H665-L668 HydrophobicContact CB-CG 4.39Å; H665-L668 WeakPolarHBondContact O-CB 3.2Å; H665-L668 PolarHBondContact O-N 3.4Å; P666-L668 PolarHBondContact O-N 3.46Å
669	Q	54.1	Low	68.4	Low	101 Å²	101	79.6 Å²	79.6	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-80.1	-24.3	174.1	-70.6	179.8	-16.9	0	0	112.5	V664 P666 I667 A671	V664-Q669 HydrophobicContact CG1-CG 3.78Å; P666-Q669 WeakPolarHBondContact O-CB 3.24Å; P666-Q669 PolarHBondContact O-N 3.4Å; I667-Q669 VanDerWaalsContact C-N 3.34Å; Q669-A671 VanDerWaalsContact C-N 3.31Å; Q669-A671 PolarHBondContact O-N 2.84Å
670	S	43	Very low	66.4	Low	99 Å²	99	80.3 Å²	80.3	69%	0.692	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.6	-179.6	-35.9	0	0	0	0	114.2	P666	P666-S670 PolarHBondContact O-N 2.83Å; P666-S670 PolarHBondContact O-OG 2.85Å; P666-S670 VanDerWaalsContact O-OG 3.07Å
671	A	31.7	Very low	64.3	Low	84 Å²	84	85.8 Å²	85.8	69%	0.694	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	10.2	-172.7	0	0	0	0	0	114.3	Q669	Q669-A671 VanDerWaalsContact C-N 3.31Å; Q669-A671 PolarHBondContact O-N 2.84Å
672	V	28.4	Very low	62	Low	194 Å²	194	83.5 Å²	83.5	100%	1.176	49%	0.487	S	S	*	.			trans	-116.2	0	178.4	-175.6	0	0	0	0	110.7

Retrieved 672 of 672 residues in 125.2 ms (Link to these results)

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