A0A5K4FC81_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4FC81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 921 aa.

						>A0A5K4FC81_SCHMA|A0A5K4FC81
MSSRRDSCLRLSKPCFCELSNIPHHSWKNLYKIEGGPIGRGFAGKVYKITTSNMELLDPLIAKKSQLAATVYSDITYVEPGEYLACKVIRRFRGGKDTISKITSEVQAMVSLQRDHLNTYHNSVYNKPSEKPSKICNNRLPPKSASPTLFAVYKDSMEVAIIMEYASGGSLYDLCRSAYLCDFAASSTGSPCGDLSVRNSGVSNPHTTIPQSKHPGSFDGLPESYIRQLLTSILEALVYMHDTLRMVHLDVKAENLLLRQPYPSTDVFFTDFGLATILTEGKQHRELAGTPDYVAPEIINYDPITFATDMWSVGVLTYYLLTGISPFLGEDKYITMQNITHGTITYPDSLFNNRSPDSIDFIQRLLQRSPTQRMSAKECLNHPWLLQSFNQPIIIETEINHQSSQTTLYNNENSISDDNNVKYAIELFHVDPIVEIVNEFMSPVCLTQFLVQSPVYIVPYVDVVSQTNFVKLLPSLKLCVDNLPVVNSALSTHFISSINNHPSSSSSEQSIRKISKKLINGHFNLLESLSELTKICSIDSDSGNRYVDTDRGYQLMNKNLMDIHDKSRSLTSYYKPSINSLWNSNLVEYNSGRNNKSSKNYVSISLFISNYLQEYQLFLMFCDLNYDKLLHRDFYFFESDNTTNIVGSSSSIKKTIVKNTGLFVDFPSSSKVYHQKEQQQQPNGNEIIQSEMNRNDEKKELIKISKYTTDIMPKVNEIIPKKFVNSHISTIRIELNSSISEKFKRMNSSDDNYNFNHTRDYLSYDFSWIKHNHNDSGNDHKAWNLFNSPLINSSSMLFSLRDQHHHHHHHHYHHHHHYYYIQCNPIISNQTIVNFKPFNNSSFNHHDCRQSKYYYQQNQTTIMDMSNISKFKYINFPLSRIVHRTQFIKTRLLNDLLNWINLFLRNLINLLFFLLPSLFGK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	26.7	Very low	235 Å²	235	166.3 Å²	166.3	100%	1.158	84%	0.841	S	S	*	*				0	162.6	0	-72.4	173.8	150.2	0	0	108.9
2	S	32.7	Very low	27	Very low	113 Å²	113	159.7 Å²	159.7	79%	0.79	82%	0.822	S	S	*	*			trans	38.3	78.8	170.4	57.7	0	0	0	0	116
3	S	24.8	Very low	27.3	Very low	105 Å²	105	160.8 Å²	160.8	73%	0.734	82%	0.817	S	S	*	*			cis	76.4	97.2	42.1	91.7	0	0	0	0	116.5
4	R	26.1	Very low	27.6	Very low	240 Å²	240	150.6 Å²	150.6	91%	0.906	77%	0.767	S	S	*	*			trans	59.7	158.7	143.3	-64.6	179.8	171.9	177.1	-3.8	119.6
5	R	26.2	Very low	28.1	Very low	233 Å²	233	144.4 Å²	144.4	88%	0.879	74%	0.742	S	S	*	*			trans	80.7	129.8	-178	-55.3	170.8	-172	160.4	1.6	112.7
6	D	26.3	Very low	28.9	Very low	138 Å²	138	137 Å²	137	74%	0.738	70%	0.703	S	S	*	*			cis	-124.5	120.1	3.8	-73.3	-56.2	0	0	0	113.1	C8	D6-C8 PolarHBondContact O-N 3.16Å
7	S	25	Very low	29.6	Very low	121 Å²	121	129.4 Å²	129.4	85%	0.846	67%	0.665	S	S	*	*			trans	-97	61.6	175.2	58.3	0	0	0	0	111.5	L9	S7-L9 PolarHBondContact O-N 3.01Å
8	C	23.9	Very low	30.1	Very low	103 Å²	103	128.4 Å²	128.4	70%	0.696	66%	0.656	S	S	*	*			trans	-64.7	120.9	169.1	-66.4	0	0	0	0	109.7	D6 R10	D6-C8 PolarHBondContact O-N 3.16Å; C8-R10 VanDerWaalsContact C-N 3.31Å; C8-R10 PolarHBondContact O-N 3.24Å
9	L	25.1	Very low	30.7	Very low	166 Å²	166	123.2 Å²	123.2	87%	0.869	63%	0.63	S	S	*	*			trans	-69.5	82.1	179.6	-78	164.6	0	0	0	111.7	S7 L11	S7-L9 PolarHBondContact O-N 3.01Å; L9-L11 PolarHBondContact O-N 3.09Å
10	R	24.7	Very low	31	Very low	221 Å²	221	121.6 Å²	121.6	83%	0.834	63%	0.63	S	S	*	*			trans	-72.5	65.1	173.9	-68.2	-173.9	178.2	-177.9	0.4	112.5	C8 S12	C8-R10 VanDerWaalsContact C-N 3.31Å; C8-R10 PolarHBondContact O-N 3.24Å; R10-S12 PolarHBondContact O-N 2.88Å; R10-S12 VanDerWaalsContact O-N 3.11Å
11	L	27.4	Very low	31.4	Very low	154 Å²	154	122.6 Å²	122.6	81%	0.806	64%	0.637	S	S	*	*			trans	-84.3	53.5	163.6	-69.1	174.1	0	0	0	110.3	L9	L9-L11 PolarHBondContact O-N 3.09Å
12	S	29.9	Very low	31.7	Very low	87 Å²	87	115.8 Å²	115.8	61%	0.608	60%	0.604	S	S	*	*			trans	-102.1	27.6	-169.7	71.8	0	0	0	0	113.6	R10	R10-S12 PolarHBondContact O-N 2.88Å; R10-S12 VanDerWaalsContact O-N 3.11Å
13	K	30.3	Very low	31.7	Very low	174 Å²	174	115.2 Å²	115.2	76%	0.757	60%	0.597	S	S	*	*	S	Bend	trans	-140.9	139.6	174.6	-68.4	-176.4	177.8	-179	0	108.7
14	P	31.9	Very low	32.7	Very low	18 Å²	18	118.8 Å²	118.8	12%	0.117	60%	0.602	C	S	.	*			trans	-64.7	133.7	161.7	29.7	-33	0	0	0	108.5	F16 T103 V106 Q107	P14-F16 HydrophobicContact CG-CE2 4.12Å; P14-F16 PolarHBondContact O-N 3.1Å; P14-F16 VanDerWaalsContact O-N 3.14Å; P14-T103 HydrophobicContact CG-CG2 3.83Å; P14-V106 HydrophobicContact CB-CG1 4.35Å; P14-Q107 HydrophobicContact CG-CG 4.01Å
15	C	35.1	Very low	34	Very low	58 Å²	58	111.4 Å²	111.4	39%	0.392	58%	0.578	S	S	.	*			trans	-75.2	104.3	168.4	-61.5	0	0	0	0	107.6	A68 T70	C15-A68 CarbonylContact C-O 3.55Å; C15-A68 VanDerWaalsContact O-O 3.12Å; C15-T70 WeakPolarHBondContact CB-OG1 3.49Å
16	F	41.2	Very low	36.2	Very low	26 Å²	26	101.7 Å²	101.7	11%	0.114	55%	0.545	C	S	.	.			trans	-69.4	140	162.7	-74.6	-87.2	0	0	0	108.8	P14 E18 A68 I99 T103 V152 K154 V159	P14-F16 HydrophobicContact CG-CE2 4.12Å; P14-F16 PolarHBondContact O-N 3.1Å; P14-F16 VanDerWaalsContact O-N 3.14Å; F16-E18 VanDerWaalsContact C-N 3.3Å; F16-E18 PolarHBondContact O-N 2.7Å; F16-A68 CarbonylContact C-O 3.49Å; F16-I99 HydrophobicContact CE1-CD1 4.27Å; F16-I99 HydrophobicContact CZ-CD1 4.16Å; F16-T103 HydrophobicContact CE2-CG2 3.93Å; F16-T103 WeakPolarHBondContact CE2-OG1 3.46Å; F16-T103 HydrophobicContact CZ-CG2 4.25Å; F16-T103 WeakPolarHBondContact CZ-OG1 3.25Å; F16-V152 HydrophobicContact CD1-CG1 3.78Å; F16-V152 HydrophobicContact CE1-CG1 3.89Å; F16-K154 HydrophobicContact CB-CB 4.18Å; F16-K154 HydrophobicContact CB-CD 3.77Å; F16-K154 HydrophobicContact CD1-CB 4.03Å; F16-K154 HydrophobicContact CD1-CD 4.11Å; F16-K154 HydrophobicContact CG-CB 4.47Å; F16-K154 HydrophobicContact CG-CD 3.95Å; F16-V159 HydrophobicContact CE1-CG1 4.24Å
17	C	41.6	Very low	38.7	Very low	8 Å²	8	95.3 Å²	95.3	5%	0.054	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	92.5	165	-62.8	0	0	0	0	109.4	L19 A68 A69 V152 Y153 K154	C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.01Å; C17-A68 WeakPolarHBondContact CA-O 3.4Å; C17-A68 PolarHBondContact N-O 2.83Å; C17-A68 VanDerWaalsContact N-O 3.15Å; C17-A69 VanDerWaalsContact SG-CA 3.51Å; C17-A69 WeakPolarHBondContact SG-CB 3.15Å; C17-V152 PolarHBondContact N-O 3Å; C17-V152 PolarHBondContact SG-O 3.25Å; C17-V152 VanDerWaalsContact SG-O 3.42Å; C17-Y153 HydrophobicContact CB-CD1 3.99Å; C17-K154 PolarHBondContact O-N 2.92Å
18	E	37.2	Very low	41.6	Very low	111 Å²	111	94 Å²	94	52%	0.519	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	90.8	169.9	-63.6	-153.7	138.7	0	0	109.3	F16 S20 K154	F16-E18 VanDerWaalsContact C-N 3.3Å; F16-E18 PolarHBondContact O-N 2.7Å; E18-S20 PolarHBondContact O-N 3.44Å; E18-K154 HydrophobicContact CG-CD 4.37Å; E18-K154 IonicContact OE1-NZ 3.71Å; E18-K154 PolarHBondContact OE1-NZ 3.49Å
19	L	42.8	Very low	44.1	Very low	30 Å²	30	92.5 Å²	92.5	16%	0.157	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-64.6	-4	177.3	-66.2	162.9	0	0	0	112.9	C17 N21 I22 H25 Y153	C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.01Å; L19-N21 PolarHBondContact O-N 3.33Å; L19-N21 VanDerWaalsContact O-N 3.1Å; L19-I22 PolarHBondContact O-N 3.2Å; L19-H25 WeakPolarHBondContact CD1-O 3.49Å; L19-H25 HydrophobicContact CD2-CB 4.14Å; L19-Y153 HydrophobicContact CD1-CD1 4.35Å; L19-Y153 HydrophobicContact CD2-CD1 4.5Å
20	S	36.9	Very low	46.5	Very low	90 Å²	90	85.9 Å²	85.9	63%	0.629	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-57.3	-23.2	179	51.5	0	0	0	0	114.6	E18	E18-S20 PolarHBondContact O-N 3.44Å
21	N	38.1	Very low	49.4	Very low	143 Å²	143	76.2 Å²	76.2	77%	0.765	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-91.3	0.6	179.5	-66.5	-6.8	0	0	0	113.6	L19	L19-N21 PolarHBondContact O-N 3.33Å; L19-N21 VanDerWaalsContact O-N 3.1Å
22	I	38.3	Very low	52.4	Low	93 Å²	93	73.9 Å²	73.9	48%	0.477	39%	0.388	S	S	.	.	S	Bend	trans	-135.8	100.5	174.4	-36.5	178.5	0	0	0	110	L19 H24 H25	L19-I22 PolarHBondContact O-N 3.2Å; I22-H24 PolarHBondContact O-N 2.98Å; I22-H25 HydrophobicContact CB-CB 4.42Å; I22-H25 WeakPolarHBondContact CG2-CD2 3.24Å; I22-H25 PolarHBondContact O-N 3.07Å
23	P	33.3	Very low	55.3	Low	100 Å²	100	72.6 Å²	72.6	65%	0.649	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	139.5	178.4	-26.4	35.2	0	0	0	112.6	H25	P23-H25 VanDerWaalsContact C-N 3.29Å; P23-H25 PolarHBondContact O-N 2.92Å
24	H	44.8	Very low	58.1	Low	181 Å²	181	66.7 Å²	66.7	84%	0.838	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	3.6	176.2	-49	-77.6	0	0	0	118.1	I22 S26 N29	I22-H24 PolarHBondContact O-N 2.98Å; H24-S26 PolarHBondContact O-N 3.14Å; H24-N29 PolarHBondContact O-ND2 3.33Å
25	H	54.6	Low	60.8	Low	85 Å²	85	69.1 Å²	69.1	39%	0.394	38%	0.377	S	S	.	.			trans	-79.6	102.7	171.1	-79	-108.2	0	0	0	111.3	L19 I22 P23	L19-H25 WeakPolarHBondContact CD1-O 3.49Å; L19-H25 HydrophobicContact CD2-CB 4.14Å; I22-H25 HydrophobicContact CB-CB 4.42Å; I22-H25 WeakPolarHBondContact CG2-CD2 3.24Å; I22-H25 PolarHBondContact O-N 3.07Å; P23-H25 VanDerWaalsContact C-N 3.29Å; P23-H25 PolarHBondContact O-N 2.92Å
26	S	71.3	Confident	63.4	Low	28 Å²	28	68.6 Å²	68.6	20%	0.196	38%	0.381	C	S	.	.			trans	-95.9	154.3	163.8	-168.1	0	0	0	0	109.8	H24 K28 N29	H24-S26 PolarHBondContact O-N 3.14Å; S26-K28 PolarHBondContact O-N 3.27Å; S26-K28 VanDerWaalsContact O-N 3.14Å; S26-N29 PolarHBondContact N-ND2 3.42Å; S26-N29 VanDerWaalsContact O-CB 3.3Å; S26-N29 WeakPolarHBondContact O-CB 3.38Å; S26-N29 PolarHBondContact O-N 2.88Å
27	W	80.6	Confident	65.7	Low	4 Å²	4	69 Å²	69	2%	0.015	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-56.6	-27.4	169.4	66.4	-93	0	0	0	112	N29 L30 Y31 I33 I49 C86 V88 Y153 E158 A160	W27-N29 PolarHBondContact O-N 3.07Å; W27-N29 VanDerWaalsContact O-N 3.11Å; W27-L30 PolarHBondContact O-N 2.89Å; W27-Y31 HydrophobicContact CE3-CD2 4.39Å; W27-Y31 WeakPolarHBondContact O-CD2 3.34Å; W27-Y31 PolarHBondContact O-N 3.36Å; W27-Y31 VanDerWaalsContact O-N 3.12Å; W27-I33 HydrophobicContact CH2-CD1 3.83Å; W27-I33 HydrophobicContact CH2-CG1 4.06Å; W27-I33 HydrophobicContact CZ3-CD1 4.47Å; W27-I33 HydrophobicContact CZ3-CG1 4.27Å; W27-I49 HydrophobicContact CZ3-CG2 4.22Å; W27-C86 VanDerWaalsContact CH2-SG 3.56Å; W27-C86 HydrophobicContact CZ3-CB 4.34Å; W27-C86 VanDerWaalsContact CZ3-SG 3.58Å; W27-V88 HydrophobicContact CH2-CG2 3.84Å; W27-V88 HydrophobicContact CZ2-CG1 4.44Å; W27-V88 HydrophobicContact CZ2-CG2 3.39Å; W27-Y153 HydrophobicContact CB-CD1 4.35Å; W27-Y153 HydrophobicContact CB-CD2 3.86Å; W27-Y153 HydrophobicContact CB-CE2 4.49Å; W27-Y153 HydrophobicContact CB-CG 3.78Å; W27-E158 PolarHBondContact NE1-OE1 3Å; W27-A160 HydrophobicContact CD2-CB 3.93Å; W27-A160 HydrophobicContact CG-CB 3.8Å
28	K	84.5	Confident	67.9	Low	94 Å²	94	73 Å²	73	41%	0.409	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-64.1	-8.3	174.4	-61.1	162.7	-172.1	136.1	0	114.1	S26 E158	S26-K28 PolarHBondContact O-N 3.27Å; S26-K28 VanDerWaalsContact O-N 3.14Å; K28-E158 WeakPolarHBondContact CE-OE1 3.48Å; K28-E158 VanDerWaalsContact NZ-CD 3.34Å; K28-E158 IonicContact NZ-OE1 3.94Å; K28-E158 PolarHBondContact NZ-OE1 2.89Å; K28-E158 IonicContact NZ-OE2 2.74Å; K28-E158 PolarHBondContact NZ-OE2 2.98Å
29	N	76.6	Confident	70.1	Confident	72 Å²	72	68.8 Å²	68.8	39%	0.385	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-88.1	-21.1	173.2	-54.9	6.3	0	0	0	111.7	H24 S26 W27	H24-N29 PolarHBondContact O-ND2 3.33Å; S26-N29 PolarHBondContact N-ND2 3.42Å; S26-N29 VanDerWaalsContact O-CB 3.3Å; S26-N29 WeakPolarHBondContact O-CB 3.38Å; S26-N29 PolarHBondContact O-N 2.88Å; W27-N29 PolarHBondContact O-N 3.07Å; W27-N29 VanDerWaalsContact O-N 3.11Å
30	L	76.4	Confident	71.7	Confident	26 Å²	26	76 Å²	76	14%	0.136	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-26.1	-179.3	-60.1	176	0	0	0	112.6	W27 S52 L56 Y153	W27-L30 PolarHBondContact O-N 2.89Å; L30-S52 PolarHBondContact O-N 3.41Å; L30-S52 PolarHBondContact O-OG 2.7Å; L30-S52 VanDerWaalsContact O-OG 3.1Å; L30-L56 HydrophobicContact CD2-CB 3.96Å; L30-Y153 HydrophobicContact CD1-CE1 4Å; L30-Y153 WeakPolarHBondContact CD1-OH 3.41Å
31	Y	85.6	Confident	73.2	Confident	18 Å²	18	73.8 Å²	73.8	7%	0.071	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.7	-177.9	-53.5	-81.7	0	0	0	112.4	W27 I49 T50 T51 S52 L84 Y153 I162	W27-Y31 HydrophobicContact CE3-CD2 4.39Å; W27-Y31 WeakPolarHBondContact O-CD2 3.34Å; W27-Y31 PolarHBondContact O-N 3.36Å; W27-Y31 VanDerWaalsContact O-N 3.12Å; Y31-I49 HydrophobicContact CD1-CD1 3.66Å; Y31-I49 HydrophobicContact CD2-CD1 4.46Å; Y31-I49 HydrophobicContact CE1-CD1 4.29Å; Y31-I49 HydrophobicContact CG-CD1 3.75Å; Y31-T50 CarbonylContact C-O 3.58Å; Y31-T50 WeakPolarHBondContact CA-O 3.39Å; Y31-T51 HydrophobicContact CD1-CG2 4.34Å; Y31-T51 HydrophobicContact CE1-CG2 4.15Å; Y31-S52 PolarHBondContact N-OG 2.95Å; Y31-L84 HydrophobicContact CE1-CD1 4.1Å; Y31-Y153 AromaticContact CE2-CE2 3.71Å; Y31-Y153 HydrophobicContact CE2-CE2 3.71Å; Y31-I162 HydrophobicContact CD2-CD1 4.44Å; Y31-I162 HydrophobicContact CE1-CG2 4.37Å; Y31-I162 HydrophobicContact CE2-CD1 4.32Å; Y31-I162 HydrophobicContact CE2-CG1 4.14Å
32	K	88.6	Confident	74.4	Confident	106 Å²	106	77.1 Å²	77.1	46%	0.461	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.8	171.6	166	168.7	168.9	-87.7	0	109.3	E34 I49 T50	K32-E34 IonicContact NZ-OE1 2.66Å; K32-E34 PolarHBondContact NZ-OE1 3.34Å; K32-E34 IonicContact NZ-OE2 3.83Å; K32-E34 PolarHBondContact NZ-OE2 3.42Å; K32-I49 CarbonylContact O-C 3.59Å; K32-I49 WeakPolarHBondContact O-CA 3.4Å; K32-I49 WeakPolarHBondContact O-CB 3.47Å; K32-T50 PolarHBondContact N-O 3.43Å; K32-T50 PolarHBondContact O-N 2.85Å
33	I	91	Very high	75.7	Confident	60 Å²	60	73.5 Å²	73.5	31%	0.308	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129	174.3	-62	173.3	0	0	0	109.4	W27 Y47 I49	W27-I33 HydrophobicContact CH2-CD1 3.83Å; W27-I33 HydrophobicContact CH2-CG1 4.06Å; W27-I33 HydrophobicContact CZ3-CD1 4.47Å; W27-I33 HydrophobicContact CZ3-CG1 4.27Å; I33-Y47 HydrophobicContact CD1-CD1 4.35Å; I33-Y47 HydrophobicContact CG2-CD1 3.52Å; I33-Y47 HydrophobicContact CG2-CE1 4.2Å; I33-Y47 HydrophobicContact CG2-CG 4.2Å; I33-I49 HydrophobicContact CG1-CG2 4.08Å
34	E	90.4	Very high	78	Confident	50 Å²	50	69.6 Å²	69.6	23%	0.234	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	99.1	177.9	-56.3	-58.2	166.2	0	0	110.8	K32 K48 T50 Y83	K32-E34 IonicContact NZ-OE1 2.66Å; K32-E34 PolarHBondContact NZ-OE1 3.34Å; K32-E34 IonicContact NZ-OE2 3.83Å; K32-E34 PolarHBondContact NZ-OE2 3.42Å; E34-K48 HydrophobicContact CB-CB 4.35Å; E34-K48 HydrophobicContact CB-CG 4.21Å; E34-K48 PolarHBondContact N-O 3.18Å; E34-T50 HydrophobicContact CG-CG2 3.8Å; E34-T50 VanDerWaalsContact OE1-CG2 3.3Å; E34-T50 WeakPolarHBondContact OE1-CG2 3.5Å; E34-T50 PolarHBondContact OE1-OG1 2.89Å; E34-Y83 HydrophobicContact CG-CD1 4.31Å; E34-Y83 HydrophobicContact CG-CE1 4.05Å
35	G	88.9	Confident	80.3	Confident	69 Å²	69	65.6 Å²	65.6	71%	0.711	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	74	-141.2	175.1	0	0	0	0	0	114.3
36	G	88.7	Confident	82.1	Confident	46 Å²	46	63.2 Å²	63.2	47%	0.474	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	170.2	-178.1	0	0	0	0	0	113.7	I38	G36-I38 PolarHBondContact O-N 2.89Å
37	P	89.1	Confident	83.2	Confident	34 Å²	34	64 Å²	64	22%	0.221	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	120.2	167.7	28.6	-33.1	0	0	0	109.7	G39 K45 V46 Y47	P37-G39 VanDerWaalsContact C-N 3.3Å; P37-K45 HydrophobicContact CB-CB 4.08Å; P37-K45 HydrophobicContact CB-CD 4.2Å; P37-K45 HydrophobicContact CB-CG 4.37Å; P37-K45 HydrophobicContact CG-CD 4.33Å; P37-V46 CarbonylContact C-O 3.52Å; P37-V46 WeakPolarHBondContact CA-O 3.49Å; P37-V46 WeakPolarHBondContact CB-O 3.46Å; P37-Y47 HydrophobicContact CB-CD1 4.06Å; P37-Y47 HydrophobicContact CB-CE1 3.8Å; P37-Y47 HydrophobicContact CG-CE1 4.34Å
38	I	88.9	Confident	83.8	Confident	92 Å²	92	65.8 Å²	65.8	47%	0.472	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-24.8	178	61.8	178.1	0	0	0	112.5	G36 V46 K48 Y165	G36-I38 PolarHBondContact O-N 2.89Å; I38-V46 HydrophobicContact CD1-CG1 3.93Å; I38-V46 HydrophobicContact CG1-CB 4.03Å; I38-V46 HydrophobicContact CG1-CG1 3.85Å; I38-V46 WeakPolarHBondContact CG1-O 3.46Å; I38-V46 PolarHBondContact N-O 3.23Å; I38-K48 HydrophobicContact CD1-CB 4.4Å; I38-K48 HydrophobicContact CG2-CB 4Å; I38-Y165 HydrophobicContact CD1-CD2 4.21Å; I38-Y165 HydrophobicContact CD1-CE2 3.8Å
39	G	82.2	Confident	84.2	Confident	24 Å²	24	61.3 Å²	61.3	25%	0.247	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.5	177.1	0	0	0	0	0	112.4	P37 K45 V46	P37-G39 VanDerWaalsContact C-N 3.3Å; G39-K45 WeakPolarHBondContact O-CA 3.27Å; G39-V46 PolarHBondContact N-O 3.48Å; G39-V46 PolarHBondContact O-N 3.44Å
40	R	78.2	Confident	84.7	Confident	181 Å²	181	58.7 Å²	58.7	68%	0.683	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	92.1	178.9	-60.7	-175.7	-171	-178.6	5.6	110.5
41	G	68.1	Low	84.7	Confident	44 Å²	44	58.5 Å²	58.5	45%	0.454	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	167.7	172.6	0	0	0	0	0	112	A43 G44	G41-A43 PolarHBondContact O-N 3.25Å; G41-A43 VanDerWaalsContact O-N 3.12Å; G41-G44 PolarHBondContact N-O 2.96Å; G41-G44 PolarHBondContact O-N 3.16Å
42	F	63.5	Low	83.7	Confident	212 Å²	212	60.3 Å²	60.3	93%	0.93	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.9	170.9	-173.7	-98.5	0	0	0	112.7
43	A	65.6	Low	82	Confident	17 Å²	17	58.2 Å²	58.2	14%	0.14	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-26.9	-179	0	0	0	0	0	115.3	G41 R93	G41-A43 PolarHBondContact O-N 3.25Å; G41-A43 VanDerWaalsContact O-N 3.12Å; A43-R93 VanDerWaalsContact CB-NH1 3.34Å; A43-R93 PolarHBondContact O-NE 3.47Å
44	G	81.7	Confident	79.9	Confident	19 Å²	19	58.6 Å²	58.6	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-168.9	-162.5	0	0	0	0	0	114.2	G41 V88	G41-G44 PolarHBondContact N-O 2.96Å; G41-G44 PolarHBondContact O-N 3.16Å; G44-V88 CarbonylContact C-O 3.54Å; G44-V88 WeakPolarHBondContact CA-O 3.37Å
45	K	91.6	Very high	77.3	Confident	96 Å²	96	64.3 Å²	64.3	42%	0.417	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.9	179.5	-67.8	177.7	-179.1	177.8	0	109.9	P37 G39 Y47 V88	P37-K45 HydrophobicContact CB-CB 4.08Å; P37-K45 HydrophobicContact CB-CD 4.2Å; P37-K45 HydrophobicContact CB-CG 4.37Å; P37-K45 HydrophobicContact CG-CD 4.33Å; G39-K45 WeakPolarHBondContact O-CA 3.27Å; K45-Y47 HydrophobicContact CB-CD2 4.16Å; K45-Y47 HydrophobicContact CB-CE2 3.54Å; K45-Y47 HydrophobicContact CD-CE2 4.17Å; K45-Y47 WeakPolarHBondContact CD-OH 3Å; K45-V88 PolarHBondContact N-O 2.69Å; K45-V88 PolarHBondContact O-N 3Å
46	V	93.1	Very high	74.8	Confident	36 Å²	36	64.5 Å²	64.5	22%	0.218	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133	168.8	-168.7	0	0	0	0	108.1	P37 I38 G39 A85 C86 K87	P37-V46 CarbonylContact C-O 3.52Å; P37-V46 WeakPolarHBondContact CA-O 3.49Å; P37-V46 WeakPolarHBondContact CB-O 3.46Å; I38-V46 HydrophobicContact CD1-CG1 3.93Å; I38-V46 HydrophobicContact CG1-CB 4.03Å; I38-V46 HydrophobicContact CG1-CG1 3.85Å; I38-V46 WeakPolarHBondContact CG1-O 3.46Å; I38-V46 PolarHBondContact N-O 3.23Å; G39-V46 PolarHBondContact N-O 3.48Å; G39-V46 PolarHBondContact O-N 3.44Å; V46-A85 HydrophobicContact CG1-CB 4.28Å; V46-C86 CarbonylContact C-O 3.56Å; V46-C86 WeakPolarHBondContact CA-O 3.39Å; V46-K87 HydrophobicContact CG2-CB 4.36Å; V46-K87 HydrophobicContact CG2-CG 4.17Å
47	Y	93.8	Very high	72.7	Confident	44 Å²	44	65.7 Å²	65.7	17%	0.173	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.8	177.1	-69.9	-88.4	0	0	0	110.3	I33 P37 K45 C86 V88	I33-Y47 HydrophobicContact CD1-CD1 4.35Å; I33-Y47 HydrophobicContact CG2-CD1 3.52Å; I33-Y47 HydrophobicContact CG2-CE1 4.2Å; I33-Y47 HydrophobicContact CG2-CG 4.2Å; P37-Y47 HydrophobicContact CB-CD1 4.06Å; P37-Y47 HydrophobicContact CB-CE1 3.8Å; P37-Y47 HydrophobicContact CG-CE1 4.34Å; K45-Y47 HydrophobicContact CB-CD2 4.16Å; K45-Y47 HydrophobicContact CB-CE2 3.54Å; K45-Y47 HydrophobicContact CD-CE2 4.17Å; K45-Y47 WeakPolarHBondContact CD-OH 3Å; Y47-C86 PolarHBondContact N-O 3.43Å; Y47-C86 PolarHBondContact O-N 2.84Å; Y47-V88 HydrophobicContact CD2-CB 4.38Å; Y47-V88 HydrophobicContact CD2-CG2 3.74Å; Y47-V88 HydrophobicContact CE2-CB 4.28Å; Y47-V88 HydrophobicContact CE2-CG2 4Å
48	K	93.7	Very high	70.1	Confident	42 Å²	42	67 Å²	67	18%	0.183	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.8	161.8	-171.7	170.6	-172.5	163.7	0	108.2	E34 I38 Y83 Y165	E34-K48 HydrophobicContact CB-CB 4.35Å; E34-K48 HydrophobicContact CB-CG 4.21Å; E34-K48 PolarHBondContact N-O 3.18Å; I38-K48 HydrophobicContact CD1-CB 4.4Å; I38-K48 HydrophobicContact CG2-CB 4Å; K48-Y83 HydrophobicContact CD-CD1 4.11Å; K48-Y83 HydrophobicContact CD-CE1 4.48Å; K48-Y83 HydrophobicContact CD-CG 4.3Å; K48-Y83 HydrophobicContact CG-CD1 3.96Å; K48-Y83 HydrophobicContact CG-CG 4.28Å; K48-Y165 HydrophobicContact CB-CD2 4.47Å; K48-Y165 HydrophobicContact CB-CE2 4.01Å; K48-Y165 HydrophobicContact CD-CD2 4.35Å; K48-Y165 HydrophobicContact CD-CE2 3.56Å; K48-Y165 HydrophobicContact CG-CD2 3.98Å; K48-Y165 HydrophobicContact CG-CE2 3.6Å; K48-Y165 PolarHBondContact NZ-OH 3.5Å; K48-Y165 VanDerWaalsContact NZ-OH 3.16Å
49	I	92.1	Very high	67.4	Low	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.4	-177.4	55.1	152.4	0	0	0	111.8	W27 Y31 K32 I33 Y83 L84 C86 I162	W27-I49 HydrophobicContact CZ3-CG2 4.22Å; Y31-I49 HydrophobicContact CD1-CD1 3.66Å; Y31-I49 HydrophobicContact CD2-CD1 4.46Å; Y31-I49 HydrophobicContact CE1-CD1 4.29Å; Y31-I49 HydrophobicContact CG-CD1 3.75Å; K32-I49 CarbonylContact O-C 3.59Å; K32-I49 WeakPolarHBondContact O-CA 3.4Å; K32-I49 WeakPolarHBondContact O-CB 3.47Å; I33-I49 HydrophobicContact CG1-CG2 4.08Å; I49-Y83 WeakPolarHBondContact O-CA 3.44Å; I49-L84 HydrophobicContact CD1-CB 3.92Å; I49-L84 HydrophobicContact CG1-CB 3.84Å; I49-L84 WeakPolarHBondContact CG1-O 3.35Å; I49-L84 PolarHBondContact N-O 3.43Å; I49-L84 PolarHBondContact O-N 2.98Å; I49-C86 HydrophobicContact CD1-CB 3.84Å; I49-C86 HydrophobicContact CG1-CB 3.99Å; I49-C86 HydrophobicContact CG2-CB 3.82Å; I49-I162 HydrophobicContact CD1-CD1 4.02Å; I49-I162 HydrophobicContact CD1-CG2 4.11Å
50	T	87.1	Confident	64.8	Low	16 Å²	16	70.7 Å²	70.7	10%	0.098	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	156.9	170.2	54	0	0	0	0	110	Y31 K32 E34 S52 Y83	Y31-T50 CarbonylContact C-O 3.58Å; Y31-T50 WeakPolarHBondContact CA-O 3.39Å; K32-T50 PolarHBondContact N-O 3.43Å; K32-T50 PolarHBondContact O-N 2.85Å; E34-T50 HydrophobicContact CG-CG2 3.8Å; E34-T50 VanDerWaalsContact OE1-CG2 3.3Å; E34-T50 WeakPolarHBondContact OE1-CG2 3.5Å; E34-T50 PolarHBondContact OE1-OG1 2.89Å; T50-S52 PolarHBondContact O-N 2.95Å; T50-Y83 HydrophobicContact CG2-CD1 3.55Å; T50-Y83 HydrophobicContact CG2-CE1 3.66Å
51	T	77.2	Confident	62.8	Low	23 Å²	23	66 Å²	66	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	115	171.7	52.5	0	0	0	0	110	Y31	Y31-T51 HydrophobicContact CD1-CG2 4.34Å; Y31-T51 HydrophobicContact CE1-CG2 4.15Å
52	S	63.6	Low	61.1	Low	56 Å²	56	66.4 Å²	66.4	39%	0.392	35%	0.354	S	S	.	.	S	Bend	trans	-88.2	-18.7	-172.4	57.1	0	0	0	0	114.9	L30 Y31 T50	L30-S52 PolarHBondContact O-N 3.41Å; L30-S52 PolarHBondContact O-OG 2.7Å; L30-S52 VanDerWaalsContact O-OG 3.1Å; Y31-S52 PolarHBondContact N-OG 2.95Å; T50-S52 PolarHBondContact O-N 2.95Å
53	N	52.9	Low	59.4	Low	62 Å²	62	63.1 Å²	63.1	33%	0.332	34%	0.339	S	S	.	.			trans	-157.2	104.2	172.1	-165.3	-9.6	0	0	0	112.3	E55 L56	N53-E55 VanDerWaalsContact C-N 3.25Å; N53-E55 PolarHBondContact O-N 3.15Å; N53-E55 WeakPolarHBondContact OD1-CB 3.29Å; N53-E55 PolarHBondContact OD1-N 2.6Å; N53-L56 HydrophobicContact CB-CD1 4.27Å; N53-L56 PolarHBondContact O-N 3.1Å
54	M	46.9	Very low	57.6	Low	67 Å²	67	70.1 Å²	70.1	33%	0.33	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.3	175.4	-86.5	-72.6	-153.3	0	0	113	L56 L57 Y77 V78 P80	M54-L56 PolarHBondContact O-N 2.78Å; M54-L57 PolarHBondContact O-N 2.84Å; M54-L57 HydrophobicContact SD-CD1 4.07Å; M54-Y77 HydrophobicContact CE-CD1 4.32Å; M54-Y77 HydrophobicContact CE-CE1 4.29Å; M54-V78 WeakPolarHBondContact CE-O 3.47Å; M54-P80 HydrophobicContact CE-CG 3.99Å; M54-P80 HydrophobicContact CG-CG 4.48Å
55	E	35.5	Very low	55.3	Low	170 Å²	170	70.1 Å²	70.1	79%	0.794	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-69.3	-19.7	179.8	-57.4	-171	142.2	0	0	112.6	N53	N53-E55 VanDerWaalsContact C-N 3.25Å; N53-E55 PolarHBondContact O-N 3.15Å; N53-E55 WeakPolarHBondContact OD1-CB 3.29Å; N53-E55 PolarHBondContact OD1-N 2.6Å
56	L	38.3	Very low	52.2	Low	74 Å²	74	72.8 Å²	72.8	39%	0.387	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-88.8	0.2	171.8	-74	171.8	0	0	0	113.5	L30 N53 M54 D58 I61	L30-L56 HydrophobicContact CD2-CB 3.96Å; N53-L56 HydrophobicContact CB-CD1 4.27Å; N53-L56 PolarHBondContact O-N 3.1Å; M54-L56 PolarHBondContact O-N 2.78Å; L56-D58 VanDerWaalsContact C-N 3.25Å; L56-D58 PolarHBondContact O-N 2.79Å; L56-I61 WeakPolarHBondContact O-CD1 3.25Å
57	L	44.5	Very low	49.1	Very low	71 Å²	71	78.9 Å²	78.9	37%	0.372	41%	0.407	S	S	.	.	S	Bend	trans	-95.9	44.5	166.7	-72	165.2	0	0	0	110.5	M54	M54-L57 PolarHBondContact O-N 2.84Å; M54-L57 HydrophobicContact SD-CD1 4.07Å
58	D	33.8	Very low	45.9	Very low	62 Å²	62	78.3 Å²	78.3	33%	0.332	41%	0.412	S	S	.	.			trans	-49.6	133.3	175.9	-178.9	-9.8	0	0	0	110.8	L56 L60 I61 A62	L56-D58 VanDerWaalsContact C-N 3.25Å; L56-D58 PolarHBondContact O-N 2.79Å; D58-L60 PolarHBondContact O-N 3.16Å; D58-L60 WeakPolarHBondContact OD1-CB 3.12Å; D58-L60 PolarHBondContact OD1-N 3.43Å; D58-I61 HydrophobicContact CB-CB 4.41Å; D58-I61 HydrophobicContact CB-CD1 4.3Å; D58-I61 HydrophobicContact CB-CG1 4.33Å; D58-I61 CarbonylContact O-C 3.6Å; D58-I61 VanDerWaalsContact O-CA 3.31Å; D58-I61 WeakPolarHBondContact O-CA 3.45Å; D58-I61 WeakPolarHBondContact O-CB 3.38Å; D58-I61 PolarHBondContact O-N 3.46Å; D58-A62 PolarHBondContact O-N 2.91Å
59	P	32	Very low	42.9	Very low	97 Å²	97	77.4 Å²	77.4	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-57.4	-17.3	170.7	22.7	-34	0	0	0	114.2	K63	P59-K63 WeakPolarHBondContact O-CB 3.31Å; P59-K63 WeakPolarHBondContact O-CG 3.43Å; P59-K63 PolarHBondContact O-N 2.94Å
60	L	28.2	Very low	40.2	Very low	95 Å²	95	79.5 Å²	79.5	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-75.6	-27.6	165.9	-72.3	163.9	0	0	0	113.4	D58 K64	D58-L60 PolarHBondContact O-N 3.16Å; D58-L60 WeakPolarHBondContact OD1-CB 3.12Å; D58-L60 PolarHBondContact OD1-N 3.43Å; L60-K64 WeakPolarHBondContact O-CB 3.43Å; L60-K64 VanDerWaalsContact O-CG 3.25Å; L60-K64 WeakPolarHBondContact O-CG 3.43Å; L60-K64 PolarHBondContact O-N 2.91Å
61	I	36.1	Very low	37.6	Very low	83 Å²	83	82.6 Å²	82.6	43%	0.426	44%	0.444	S	S	.	.	H	α-helix	trans	-69.1	-47.1	164.4	-74.4	167.4	0	0	0	108.5	L56 D58 K63 K64 S65	L56-I61 WeakPolarHBondContact O-CD1 3.25Å; D58-I61 HydrophobicContact CB-CB 4.41Å; D58-I61 HydrophobicContact CB-CD1 4.3Å; D58-I61 HydrophobicContact CB-CG1 4.33Å; D58-I61 CarbonylContact O-C 3.6Å; D58-I61 VanDerWaalsContact O-CA 3.31Å; D58-I61 WeakPolarHBondContact O-CA 3.45Å; D58-I61 WeakPolarHBondContact O-CB 3.38Å; D58-I61 PolarHBondContact O-N 3.46Å; I61-K63 PolarHBondContact O-N 3.48Å; I61-K63 VanDerWaalsContact O-N 3.17Å; I61-K64 PolarHBondContact O-N 3.2Å; I61-S65 WeakPolarHBondContact O-CA 3.3Å; I61-S65 WeakPolarHBondContact O-CB 3.4Å; I61-S65 PolarHBondContact O-N 2.86Å; I61-S65 PolarHBondContact O-OG 2.86Å
62	A	31.6	Very low	36	Very low	53 Å²	53	83.1 Å²	83.1	44%	0.438	44%	0.443	S	S	.	.	H	α-helix	trans	-61	-25	175.4	0	0	0	0	0	114.3	D58 S65 Q66	D58-A62 PolarHBondContact O-N 2.91Å; A62-S65 PolarHBondContact O-OG 3.49Å; A62-Q66 WeakPolarHBondContact O-CG 3.33Å
63	K	28.6	Very low	34.7	Very low	143 Å²	143	82 Å²	82	62%	0.622	44%	0.435	S	S	*	.	H	α-helix	trans	-87.3	-42.5	172.1	-81.4	179.5	173.2	176.6	0	113.9	P59 I61 S65 Q66	P59-K63 WeakPolarHBondContact O-CB 3.31Å; P59-K63 WeakPolarHBondContact O-CG 3.43Å; P59-K63 PolarHBondContact O-N 2.94Å; I61-K63 PolarHBondContact O-N 3.48Å; I61-K63 VanDerWaalsContact O-N 3.17Å; K63-S65 VanDerWaalsContact C-N 3.3Å; K63-Q66 VanDerWaalsContact O-CB 3.31Å; K63-Q66 WeakPolarHBondContact O-CB 3.41Å; K63-Q66 WeakPolarHBondContact O-CG 3.37Å; K63-Q66 PolarHBondContact O-N 3.18Å
64	K	27.6	Very low	33.8	Very low	164 Å²	164	85.8 Å²	85.8	71%	0.713	46%	0.456	S	S	*	.	H	α-helix	trans	-73.1	-25.2	177.1	-71.1	174.4	178.3	175.3	0	112.1	L60 I61 Q66	L60-K64 WeakPolarHBondContact O-CB 3.43Å; L60-K64 VanDerWaalsContact O-CG 3.25Å; L60-K64 WeakPolarHBondContact O-CG 3.43Å; L60-K64 PolarHBondContact O-N 2.91Å; I61-K64 PolarHBondContact O-N 3.2Å; K64-Q66 PolarHBondContact O-N 2.98Å
65	S	32.5	Very low	33.2	Very low	19 Å²	19	89.6 Å²	89.6	13%	0.133	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-74.3	-3	171.8	78.7	0	0	0	0	113.3	I61 A62 K63 L67 A68 A69	I61-S65 WeakPolarHBondContact O-CA 3.3Å; I61-S65 WeakPolarHBondContact O-CB 3.4Å; I61-S65 PolarHBondContact O-N 2.86Å; I61-S65 PolarHBondContact O-OG 2.86Å; A62-S65 PolarHBondContact O-OG 3.49Å; K63-S65 VanDerWaalsContact C-N 3.3Å; S65-L67 PolarHBondContact O-N 3.4Å; S65-A68 CarbonylContact O-C 3.51Å; S65-A68 PolarHBondContact O-N 3.3Å; S65-A69 CarbonylContact O-C 3.13Å; S65-A69 PolarHBondContact O-N 3.48Å; S65-A69 VanDerWaalsContact O-O 3.05Å
66	Q	28	Very low	33.1	Very low	152 Å²	152	85 Å²	85	71%	0.71	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-64.3	-5	171	-63.4	178.2	-12.7	0	0	112.8	A62 K63 K64	A62-Q66 WeakPolarHBondContact O-CG 3.33Å; K63-Q66 VanDerWaalsContact O-CB 3.31Å; K63-Q66 WeakPolarHBondContact O-CB 3.41Å; K63-Q66 WeakPolarHBondContact O-CG 3.37Å; K63-Q66 PolarHBondContact O-N 3.18Å; K64-Q66 PolarHBondContact O-N 2.98Å
67	L	26.2	Very low	33	Very low	163 Å²	163	90.6 Å²	90.6	85%	0.853	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-111.2	6.4	167.8	-84.5	160.3	0	0	0	114.5	S65	S65-L67 PolarHBondContact O-N 3.4Å
68	A	27.3	Very low	33.3	Very low	33 Å²	33	88.1 Å²	88.1	27%	0.273	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.3	-50.9	-174.2	0	0	0	0	0	115	C15 F16 C17 S65	C15-A68 CarbonylContact C-O 3.55Å; C15-A68 VanDerWaalsContact O-O 3.12Å; F16-A68 CarbonylContact C-O 3.49Å; C17-A68 WeakPolarHBondContact CA-O 3.4Å; C17-A68 PolarHBondContact N-O 2.83Å; C17-A68 VanDerWaalsContact N-O 3.15Å; S65-A68 CarbonylContact O-C 3.51Å; S65-A68 PolarHBondContact O-N 3.3Å
69	A	31.2	Very low	33.9	Very low	22 Å²	22	91.8 Å²	91.8	18%	0.182	48%	0.48	C	S	.	.			trans	-101.7	105.5	175	0	0	0	0	0	109.8	C17 S65 V71	C17-A69 VanDerWaalsContact SG-CA 3.51Å; C17-A69 WeakPolarHBondContact SG-CB 3.15Å; S65-A69 CarbonylContact O-C 3.13Å; S65-A69 PolarHBondContact O-N 3.48Å; S65-A69 VanDerWaalsContact O-O 3.05Å; A69-V71 PolarHBondContact O-N 3.11Å
70	T	34	Very low	34.7	Very low	44 Å²	44	92.1 Å²	92.1	27%	0.27	48%	0.482	S	S	.	.			trans	-71.8	109.7	162.5	-52.4	0	0	0	0	108.2	C15 Y72	C15-T70 WeakPolarHBondContact CB-OG1 3.49Å; T70-Y72 VanDerWaalsContact CB-CZ 3.49Å; T70-Y72 HydrophobicContact CG2-CD1 3.67Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.32Å; T70-Y72 HydrophobicContact CG2-CE2 4.15Å; T70-Y72 HydrophobicContact CG2-CG 4.22Å; T70-Y72 WeakPolarHBondContact O-CD2 3.41Å; T70-Y72 VanDerWaalsContact O-CE2 3.23Å; T70-Y72 WeakPolarHBondContact O-CE2 3.3Å
71	V	33.9	Very low	36.2	Very low	81 Å²	81	89.9 Å²	89.9	49%	0.491	48%	0.482	S	S	.	.			trans	-72.4	125	162.8	-175.2	0	0	0	0	106.4	A69 S73	A69-V71 PolarHBondContact O-N 3.11Å; V71-S73 WeakPolarHBondContact CG1-O 3.49Å
72	Y	42.3	Very low	37.9	Very low	35 Å²	35	90.7 Å²	90.7	14%	0.137	48%	0.484	C	S	.	.			trans	-99.8	-15	-171.1	-70	-75	0	0	0	114.6	T70 V110 L149	T70-Y72 VanDerWaalsContact CB-CZ 3.49Å; T70-Y72 HydrophobicContact CG2-CD1 3.67Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.32Å; T70-Y72 HydrophobicContact CG2-CE2 4.15Å; T70-Y72 HydrophobicContact CG2-CG 4.22Å; T70-Y72 WeakPolarHBondContact O-CD2 3.41Å; T70-Y72 VanDerWaalsContact O-CE2 3.23Å; T70-Y72 WeakPolarHBondContact O-CE2 3.3Å; Y72-V110 HydrophobicContact CD1-CB 4.39Å; Y72-V110 HydrophobicContact CD1-CG1 3.83Å; Y72-V110 HydrophobicContact CD1-CG2 3.76Å; Y72-V110 HydrophobicContact CD2-CG2 4.21Å; Y72-V110 HydrophobicContact CE1-CB 4.08Å; Y72-V110 HydrophobicContact CE1-CG1 3.45Å; Y72-V110 VanDerWaalsContact CE1-CG1 3.45Å; Y72-V110 HydrophobicContact CE1-CG2 3.37Å; Y72-V110 HydrophobicContact CE2-CG2 3.86Å; Y72-V110 HydrophobicContact CG-CG2 4.16Å; Y72-V110 VanDerWaalsContact CZ-CG2 3.42Å; Y72-L149 HydrophobicContact CD2-CD2 3.7Å; Y72-L149 HydrophobicContact CD2-CG 4Å; Y72-L149 HydrophobicContact CE2-CD2 3.84Å; Y72-L149 HydrophobicContact CE2-CG 4.48Å; Y72-L149 HydrophobicContact CG-CD2 4.41Å
73	S	36.8	Very low	40.6	Very low	32 Å²	32	93.5 Å²	93.5	22%	0.224	48%	0.484	C	S	.	.	S	Bend	trans	-105.4	152.6	170.6	53.5	0	0	0	0	111.9	V71 T76	V71-S73 WeakPolarHBondContact CG1-O 3.49Å; S73-T76 PolarHBondContact OG-OG1 2.92Å
74	D	33.8	Very low	43.6	Very low	141 Å²	141	87.1 Å²	87.1	75%	0.754	46%	0.456	S	S	*	.	S	Bend	trans	-57.9	136.6	157.7	-76.4	-52.9	0	0	0	108.3	T76	D74-T76 VanDerWaalsContact C-N 3.34Å; D74-T76 PolarHBondContact O-N 2.98Å
75	I	34.1	Very low	46.7	Very low	147 Å²	147	79.7 Å²	79.7	75%	0.754	43%	0.426	S	S	*	.			trans	-54.1	86.6	-153.9	-50.8	174.7	0	0	0	113.8	Y77	I75-Y77 HydrophobicContact CG2-CD2 4.23Å; I75-Y77 PolarHBondContact O-N 2.66Å; I75-Y77 VanDerWaalsContact O-N 3.09Å
76	T	34.2	Very low	49.5	Very low	75 Å²	75	78.8 Å²	78.8	46%	0.46	42%	0.42	S	S	.	.			trans	-72.5	96.7	167.5	44.5	0	0	0	0	108.1	S73 D74 V78	S73-T76 PolarHBondContact OG-OG1 2.92Å; D74-T76 VanDerWaalsContact C-N 3.34Å; D74-T76 PolarHBondContact O-N 2.98Å; T76-V78 PolarHBondContact O-N 3.16Å; T76-V78 VanDerWaalsContact O-N 3.15Å
77	Y	37.3	Very low	52.7	Low	190 Å²	190	72.1 Å²	72.1	75%	0.745	39%	0.388	S	S	*	.			trans	-61	112.5	170	-116.3	-89.9	0	0	0	108.6	M54 I75	M54-Y77 HydrophobicContact CE-CD1 4.32Å; M54-Y77 HydrophobicContact CE-CE1 4.29Å; I75-Y77 HydrophobicContact CG2-CD2 4.23Å; I75-Y77 PolarHBondContact O-N 2.66Å; I75-Y77 VanDerWaalsContact O-N 3.09Å
78	V	49	Very low	55.8	Low	19 Å²	19	65.1 Å²	65.1	12%	0.115	35%	0.352	C	S	.	.			trans	-74.3	122.9	169.4	178.8	0	0	0	0	107	M54 T76 E82 L84 F150	M54-V78 WeakPolarHBondContact CE-O 3.47Å; T76-V78 PolarHBondContact O-N 3.16Å; T76-V78 VanDerWaalsContact O-N 3.15Å; V78-E82 WeakPolarHBondContact CA-OE2 3.41Å; V78-E82 HydrophobicContact CG1-CB 3.77Å; V78-L84 HydrophobicContact CG1-CD1 4.34Å; V78-L84 HydrophobicContact CG1-CD2 4.32Å; V78-L84 HydrophobicContact CG1-CG 4.37Å; V78-L84 HydrophobicContact CG2-CD1 4.37Å; V78-L84 HydrophobicContact CG2-CD2 4.28Å; V78-F150 HydrophobicContact CG2-CD1 3.91Å; V78-F150 HydrophobicContact CG2-CE1 3.49Å; V78-F150 VanDerWaalsContact CG2-CE1 3.49Å; V78-F150 HydrophobicContact CG2-CZ 4.14Å
79	E	46.7	Very low	58.8	Low	139 Å²	139	63.6 Å²	63.6	65%	0.65	34%	0.339	S	S	*	.			trans	-72	145.4	-177.4	-71	-139.6	146.4	0	0	111.6	G81 E82	E79-G81 PolarHBondContact O-N 3.46Å; E79-E82 HydrophobicContact CB-CG 4.08Å; E79-E82 PolarHBondContact N-OE2 3.15Å; E79-E82 PolarHBondContact O-N 3.24Å
80	P	49.9	Very low	61.6	Low	105 Å²	105	71.4 Å²	71.4	68%	0.682	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	100.9	-179.7	-24.6	35	0	0	0	113.1	M54	M54-P80 HydrophobicContact CE-CG 3.99Å; M54-P80 HydrophobicContact CG-CG 4.48Å
81	G	58.1	Low	64.2	Low	47 Å²	47	71.9 Å²	71.9	49%	0.485	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	122.5	-10.6	-178.5	0	0	0	0	0	114.1	E79	E79-G81 PolarHBondContact O-N 3.46Å
82	E	72.1	Confident	66.8	Low	100 Å²	100	72.8 Å²	72.8	47%	0.467	36%	0.359	S	S	.	.			trans	-62.4	149.7	169.9	-71.2	-167.9	118.1	0	0	111.9	V78 E79	V78-E82 WeakPolarHBondContact CA-OE2 3.41Å; V78-E82 HydrophobicContact CG1-CB 3.77Å; E79-E82 HydrophobicContact CB-CG 4.08Å; E79-E82 PolarHBondContact N-OE2 3.15Å; E79-E82 PolarHBondContact O-N 3.24Å
83	Y	88.9	Confident	68.7	Low	113 Å²	113	74.4 Å²	74.4	44%	0.443	36%	0.364	S	S	.	.			trans	-95.8	135.5	178.8	-61.8	-65.9	0	0	0	110.9	E34 K48 I49 T50 Y165	E34-Y83 HydrophobicContact CG-CD1 4.31Å; E34-Y83 HydrophobicContact CG-CE1 4.05Å; K48-Y83 HydrophobicContact CD-CD1 4.11Å; K48-Y83 HydrophobicContact CD-CE1 4.48Å; K48-Y83 HydrophobicContact CD-CG 4.3Å; K48-Y83 HydrophobicContact CG-CD1 3.96Å; K48-Y83 HydrophobicContact CG-CG 4.28Å; I49-Y83 WeakPolarHBondContact O-CA 3.44Å; T50-Y83 HydrophobicContact CG2-CD1 3.55Å; T50-Y83 HydrophobicContact CG2-CE1 3.66Å; Y83-Y165 WeakPolarHBondContact O-CB 3.16Å
84	L	91	Very high	70.7	Confident	8 Å²	8	74.8 Å²	74.8	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	162.3	170	-58.9	175.6	0	0	0	110	Y31 I49 V78 F150 I162	Y31-L84 HydrophobicContact CE1-CD1 4.1Å; I49-L84 HydrophobicContact CD1-CB 3.92Å; I49-L84 HydrophobicContact CG1-CB 3.84Å; I49-L84 WeakPolarHBondContact CG1-O 3.35Å; I49-L84 PolarHBondContact N-O 3.43Å; I49-L84 PolarHBondContact O-N 2.98Å; V78-L84 HydrophobicContact CG1-CD1 4.34Å; V78-L84 HydrophobicContact CG1-CD2 4.32Å; V78-L84 HydrophobicContact CG1-CG 4.37Å; V78-L84 HydrophobicContact CG2-CD1 4.37Å; V78-L84 HydrophobicContact CG2-CD2 4.28Å; L84-F150 HydrophobicContact CD2-CD2 4Å; L84-F150 HydrophobicContact CD2-CE2 3.7Å; L84-F150 HydrophobicContact CD2-CZ 4.04Å; L84-I162 HydrophobicContact CB-CG2 4.3Å; L84-I162 HydrophobicContact CD1-CG2 3.89Å
85	A	92.8	Very high	73.1	Confident	9 Å²	9	70 Å²	70	7%	0.074	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.1	171.7	0	0	0	0	0	110.4	V46 I162 M163 E164	V46-A85 HydrophobicContact CG1-CB 4.28Å; A85-I162 WeakPolarHBondContact O-CA 3.38Å; A85-M163 HydrophobicContact CB-CB 4.47Å; A85-M163 HydrophobicContact CB-CE 4.39Å; A85-M163 PolarHBondContact N-O 2.93Å; A85-M163 PolarHBondContact O-N 3.01Å; A85-E164 WeakPolarHBondContact CB-O 3.23Å
86	C	92.9	Very high	75.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.8	175.4	179.1	0	0	0	0	110.3	W27 V46 Y47 I49 V88 I161 I162	W27-C86 VanDerWaalsContact CH2-SG 3.56Å; W27-C86 HydrophobicContact CZ3-CB 4.34Å; W27-C86 VanDerWaalsContact CZ3-SG 3.58Å; V46-C86 CarbonylContact C-O 3.56Å; V46-C86 WeakPolarHBondContact CA-O 3.39Å; Y47-C86 PolarHBondContact N-O 3.43Å; Y47-C86 PolarHBondContact O-N 2.84Å; I49-C86 HydrophobicContact CD1-CB 3.84Å; I49-C86 HydrophobicContact CG1-CB 3.99Å; I49-C86 HydrophobicContact CG2-CB 3.82Å; C86-V88 PolarHBondContact O-N 3.03Å; C86-V88 VanDerWaalsContact SG-CG2 3.51Å; C86-I161 CarbonylContact C-O 3.55Å; C86-I161 WeakPolarHBondContact CA-O 3.42Å; C86-I162 HydrophobicContact CB-CD1 3.84Å; C86-I162 VanDerWaalsContact SG-CD1 3.53Å
87	K	93.3	Very high	78.1	Confident	11 Å²	11	69.6 Å²	69.6	5%	0.048	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	104.3	173.2	-171.1	178.9	-175.1	-175.7	0	108.6	V46 I89 E105 I161 M163 D271	V46-K87 HydrophobicContact CG2-CB 4.36Å; V46-K87 HydrophobicContact CG2-CG 4.17Å; K87-I89 HydrophobicContact CD-CD1 4.05Å; K87-I89 HydrophobicContact CD-CG1 4.46Å; K87-I89 HydrophobicContact CG-CD1 4.01Å; K87-I89 HydrophobicContact CG-CG1 3.91Å; K87-E105 WeakPolarHBondContact CE-OE1 3.39Å; K87-E105 IonicContact NZ-OE1 2.67Å; K87-E105 PolarHBondContact NZ-OE1 3.03Å; K87-I161 HydrophobicContact CB-CB 4.36Å; K87-I161 PolarHBondContact N-O 3.47Å; K87-I161 PolarHBondContact O-N 3.16Å; K87-M163 HydrophobicContact CB-CE 3.7Å; K87-D271 IonicContact NZ-OD1 3.36Å; K87-D271 PolarHBondContact NZ-OD1 3.23Å; K87-D271 IonicContact NZ-OD2 2.95Å; K87-D271 PolarHBondContact NZ-OD2 3.34Å
88	V	92.4	Very high	80.6	Confident	17 Å²	17	61.9 Å²	61.9	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.3	-178.7	-174.1	0	0	0	0	109.5	W27 G44 K45 Y47 C86 E158	W27-V88 HydrophobicContact CH2-CG2 3.84Å; W27-V88 HydrophobicContact CZ2-CG1 4.44Å; W27-V88 HydrophobicContact CZ2-CG2 3.39Å; G44-V88 CarbonylContact C-O 3.54Å; G44-V88 WeakPolarHBondContact CA-O 3.37Å; K45-V88 PolarHBondContact N-O 2.69Å; K45-V88 PolarHBondContact O-N 3Å; Y47-V88 HydrophobicContact CD2-CB 4.38Å; Y47-V88 HydrophobicContact CD2-CG2 3.74Å; Y47-V88 HydrophobicContact CE2-CB 4.28Å; Y47-V88 HydrophobicContact CE2-CG2 4Å; C86-V88 PolarHBondContact O-N 3.03Å; C86-V88 VanDerWaalsContact SG-CG2 3.51Å; V88-E158 HydrophobicContact CG1-CB 4.29Å; V88-E158 HydrophobicContact CG1-CG 4.48Å
89	I	90.8	Very high	82.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.6	-166	-57.9	-179.5	0	0	0	109.1	K87 R91 I102 E158 V159 I161	K87-I89 HydrophobicContact CD-CD1 4.05Å; K87-I89 HydrophobicContact CD-CG1 4.46Å; K87-I89 HydrophobicContact CG-CD1 4.01Å; K87-I89 HydrophobicContact CG-CG1 3.91Å; I89-R91 PolarHBondContact O-N 3.01Å; I89-I102 HydrophobicContact CB-CD1 4.49Å; I89-I102 HydrophobicContact CD1-CG2 4.28Å; I89-I102 HydrophobicContact CG2-CD1 3.56Å; I89-I102 HydrophobicContact CG2-CG1 3.86Å; I89-E158 CarbonylContact O-C 3.52Å; I89-E158 VanDerWaalsContact O-CA 3.27Å; I89-E158 WeakPolarHBondContact O-CA 3.32Å; I89-V159 PolarHBondContact N-O 3.39Å; I89-V159 PolarHBondContact O-N 2.9Å; I89-I161 HydrophobicContact CD1-CD1 3.6Å; I89-I161 HydrophobicContact CD1-CG1 4.2Å
90	R	89.8	Confident	84.3	Confident	186 Å²	186	60 Å²	60	70%	0.702	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.5	174	-74.9	179.4	173.2	166.9	-4.9	110.1	R93	R90-R93 HydrophobicContact CB-CG 4.32Å; R90-R93 PolarHBondContact O-NE 3.18Å
91	R	87.9	Confident	86.2	Confident	55 Å²	55	60.2 Å²	60.2	21%	0.208	31%	0.31	C	S	.	.	S	Bend	trans	-64.4	-49.4	177.2	177.7	176.4	174.4	-174.2	-6.3	111.2	I89 D97 T98 I99 M157	I89-R91 PolarHBondContact O-N 3.01Å; R91-D97 WeakPolarHBondContact CG-OD1 3.5Å; R91-D97 IonicContact CZ-OD2 2.66Å; R91-D97 VanDerWaalsContact CZ-OD2 3.24Å; R91-D97 IonicContact NE-OD1 2.75Å; R91-D97 PolarHBondContact NE-OD1 2.97Å; R91-D97 VanDerWaalsContact NE-OD1 3.15Å; R91-D97 IonicContact NE-OD2 2.7Å; R91-D97 PolarHBondContact NE-OD2 3.44Å; R91-D97 IonicContact NH2-OD2 2.78Å; R91-D97 PolarHBondContact NH2-OD2 2.97Å; R91-T98 WeakPolarHBondContact O-CB 3.23Å; R91-T98 PolarHBondContact O-N 2.86Å; R91-T98 PolarHBondContact O-OG1 3.4Å; R91-I99 HydrophobicContact CG-CB 4.35Å; R91-M157 WeakPolarHBondContact CB-O 3.43Å; R91-M157 PolarHBondContact N-O 3.04Å
92	F	88.3	Confident	87.6	Confident	100 Å²	100	58 Å²	58	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.1	175.8	-63.1	-77.7	0	0	0	110.6	K96 D97 S156	F92-K96 WeakPolarHBondContact CA-O 3.38Å; F92-D97 HydrophobicContact CD1-CB 4.12Å; F92-D97 HydrophobicContact CE1-CB 3.78Å; F92-S156 WeakPolarHBondContact CE2-O 3.48Å
93	R	83.4	Confident	88.4	Confident	68 Å²	68	54.5 Å²	54.5	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.4	172.8	-55.4	-171.9	-139.7	146.4	7.4	109	A43 R90 G95 K96 T98	A43-R93 VanDerWaalsContact CB-NH1 3.34Å; A43-R93 PolarHBondContact O-NE 3.47Å; R90-R93 HydrophobicContact CB-CG 4.32Å; R90-R93 PolarHBondContact O-NE 3.18Å; R93-G95 PolarHBondContact O-N 3.46Å; R93-K96 PolarHBondContact N-O 3.02Å; R93-K96 VanDerWaalsContact N-O 3.16Å; R93-K96 PolarHBondContact O-N 3.21Å; R93-T98 HydrophobicContact CB-CG2 3.99Å; R93-T98 HydrophobicContact CG-CG2 4.29Å
94	G	79	Confident	88.4	Confident	40 Å²	40	51.9 Å²	51.9	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	59.3	-174.2	0	0	0	0	0	111.8	K96 R905	G94-K96 PolarHBondContact O-N 2.84Å; G94-R905 PolarHBondContact O-NH1 2.76Å; G94-R905 PolarHBondContact O-NH2 2.85Å
95	G	82.2	Confident	88.4	Confident	41 Å²	41	51.9 Å²	51.9	42%	0.423	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	14.8	171.7	0	0	0	0	0	116.7	R93 N909	R93-G95 PolarHBondContact O-N 3.46Å; G95-N909 PolarHBondContact O-ND2 3.26Å
96	K	86.2	Confident	88.2	Confident	149 Å²	149	51.5 Å²	51.5	65%	0.648	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.1	176.4	-68.7	-175.3	176.8	-174.3	0	108.6	F92 R93 G94 T98	F92-K96 WeakPolarHBondContact CA-O 3.38Å; R93-K96 PolarHBondContact N-O 3.02Å; R93-K96 VanDerWaalsContact N-O 3.16Å; R93-K96 PolarHBondContact O-N 3.21Å; G94-K96 PolarHBondContact O-N 2.84Å; K96-T98 PolarHBondContact O-N 3.21Å
97	D	88.8	Confident	88	Confident	65 Å²	65	55 Å²	55	35%	0.348	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.2	169.5	-167.2	-11.2	0	0	0	109	R91 F92 I99	R91-D97 WeakPolarHBondContact CG-OD1 3.5Å; R91-D97 IonicContact CZ-OD2 2.66Å; R91-D97 VanDerWaalsContact CZ-OD2 3.24Å; R91-D97 IonicContact NE-OD1 2.75Å; R91-D97 PolarHBondContact NE-OD1 2.97Å; R91-D97 VanDerWaalsContact NE-OD1 3.15Å; R91-D97 IonicContact NE-OD2 2.7Å; R91-D97 PolarHBondContact NE-OD2 3.44Å; R91-D97 IonicContact NH2-OD2 2.78Å; R91-D97 PolarHBondContact NH2-OD2 2.97Å; F92-D97 HydrophobicContact CD1-CB 4.12Å; F92-D97 HydrophobicContact CE1-CB 3.78Å; D97-I99 VanDerWaalsContact OD1-CB 3.25Å; D97-I99 WeakPolarHBondContact OD1-CB 3.46Å; D97-I99 VanDerWaalsContact OD1-CG2 3.29Å; D97-I99 WeakPolarHBondContact OD1-CG2 3.31Å; D97-I99 PolarHBondContact OD1-N 2.86Å; D97-I99 WeakPolarHBondContact OD2-CG2 3.31Å
98	T	88.4	Confident	87.8	Confident	27 Å²	27	54.8 Å²	54.8	17%	0.166	28%	0.284	C	S	.	.			trans	-97.7	6	179.2	64.4	0	0	0	0	113.1	R91 R93 K96 S100 K101 I102	R91-T98 WeakPolarHBondContact O-CB 3.23Å; R91-T98 PolarHBondContact O-N 2.86Å; R91-T98 PolarHBondContact O-OG1 3.4Å; R93-T98 HydrophobicContact CB-CG2 3.99Å; R93-T98 HydrophobicContact CG-CG2 4.29Å; K96-T98 PolarHBondContact O-N 3.21Å; T98-S100 PolarHBondContact O-N 2.95Å; T98-K101 PolarHBondContact O-N 2.87Å; T98-I102 WeakPolarHBondContact O-CG1 3.31Å; T98-I102 PolarHBondContact O-N 3.34Å; T98-I102 VanDerWaalsContact O-N 3.15Å
99	I	88.6	Confident	87.7	Confident	32 Å²	32	54.1 Å²	54.1	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-50.1	-32.8	-178.4	-167.1	60.3	0	0	0	113.4	F16 R91 D97 I102 T103 V159	F16-I99 HydrophobicContact CE1-CD1 4.27Å; F16-I99 HydrophobicContact CZ-CD1 4.16Å; R91-I99 HydrophobicContact CG-CB 4.35Å; D97-I99 VanDerWaalsContact OD1-CB 3.25Å; D97-I99 WeakPolarHBondContact OD1-CB 3.46Å; D97-I99 VanDerWaalsContact OD1-CG2 3.29Å; D97-I99 WeakPolarHBondContact OD1-CG2 3.31Å; D97-I99 PolarHBondContact OD1-N 2.86Å; D97-I99 WeakPolarHBondContact OD2-CG2 3.31Å; I99-I102 PolarHBondContact O-N 2.96Å; I99-T103 WeakPolarHBondContact O-CB 3.42Å; I99-T103 PolarHBondContact O-N 2.8Å; I99-T103 PolarHBondContact O-OG1 2.86Å; I99-V159 HydrophobicContact CD1-CG2 3.88Å
100	S	86.4	Confident	87.5	Confident	88 Å²	88	54.5 Å²	54.5	62%	0.615	28%	0.282	S	S	*	.	H	α-helix	trans	-63.4	-47.9	175.5	-166.4	0	0	0	0	112.6	T98 I102 T103 S104	T98-S100 PolarHBondContact O-N 2.95Å; S100-I102 PolarHBondContact O-N 3.02Å; S100-T103 WeakPolarHBondContact O-CB 3.48Å; S100-T103 PolarHBondContact O-N 3.4Å; S100-T103 VanDerWaalsContact O-N 3.16Å; S100-S104 PolarHBondContact O-N 3.21Å; S100-S104 PolarHBondContact O-OG 3.08Å
101	K	88	Confident	87.3	Confident	109 Å²	109	47 Å²	47	47%	0.474	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-40.6	175.7	-75.6	-148.7	170.3	-148.7	0	111.5	T98 T103 S104 E105 E286	T98-K101 PolarHBondContact O-N 2.87Å; K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 PolarHBondContact O-N 3.49Å; K101-S104 PolarHBondContact O-N 3.49Å; K101-E105 PolarHBondContact O-N 3.42Å; K101-E286 IonicContact NZ-OE1 3.19Å; K101-E286 PolarHBondContact NZ-OE1 2.96Å
102	I	89.2	Confident	87.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-34.3	176.1	-51.8	170	0	0	0	111	I89 T98 I99 S100 V106 V159	I89-I102 HydrophobicContact CB-CD1 4.49Å; I89-I102 HydrophobicContact CD1-CG2 4.28Å; I89-I102 HydrophobicContact CG2-CD1 3.56Å; I89-I102 HydrophobicContact CG2-CG1 3.86Å; T98-I102 WeakPolarHBondContact O-CG1 3.31Å; T98-I102 PolarHBondContact O-N 3.34Å; T98-I102 VanDerWaalsContact O-N 3.15Å; I99-I102 PolarHBondContact O-N 2.96Å; S100-I102 PolarHBondContact O-N 3.02Å; I102-V106 WeakPolarHBondContact O-CG2 3.36Å; I102-V106 PolarHBondContact O-N 3.34Å; I102-V106 VanDerWaalsContact O-N 3.12Å; I102-V159 HydrophobicContact CD1-CG2 4.25Å; I102-V159 HydrophobicContact CG2-CB 4.09Å; I102-V159 HydrophobicContact CG2-CG1 3.89Å; I102-V159 HydrophobicContact CG2-CG2 4.22Å
103	T	88	Confident	86.8	Confident	27 Å²	27	42 Å²	42	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-43.1	174.1	-55.2	0	0	0	0	111	P14 F16 I99 S100 K101 V106 Q107	P14-T103 HydrophobicContact CG-CG2 3.83Å; F16-T103 HydrophobicContact CE2-CG2 3.93Å; F16-T103 WeakPolarHBondContact CE2-OG1 3.46Å; F16-T103 HydrophobicContact CZ-CG2 4.25Å; F16-T103 WeakPolarHBondContact CZ-OG1 3.25Å; I99-T103 WeakPolarHBondContact O-CB 3.42Å; I99-T103 PolarHBondContact O-N 2.8Å; I99-T103 PolarHBondContact O-OG1 2.86Å; S100-T103 WeakPolarHBondContact O-CB 3.48Å; S100-T103 PolarHBondContact O-N 3.4Å; S100-T103 VanDerWaalsContact O-N 3.16Å; K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 PolarHBondContact O-N 3.49Å; T103-V106 PolarHBondContact O-N 2.7Å; T103-Q107 HydrophobicContact CG2-CG 4.34Å; T103-Q107 WeakPolarHBondContact O-CB 3.36Å; T103-Q107 VanDerWaalsContact O-CG 3.23Å; T103-Q107 WeakPolarHBondContact O-CG 3.27Å; T103-Q107 PolarHBondContact O-N 3.4Å
104	S	88.2	Confident	86	Confident	57 Å²	57	44.5 Å²	44.5	40%	0.399	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-42.1	176.5	-58	0	0	0	0	112.8	S100 K101 Q107 A108	S100-S104 PolarHBondContact O-N 3.21Å; S100-S104 PolarHBondContact O-OG 3.08Å; K101-S104 PolarHBondContact O-N 3.49Å; S104-Q107 PolarHBondContact O-N 3.22Å; S104-A108 PolarHBondContact O-N 3.42Å
105	E	91.6	Very high	84.8	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-50.4	173.6	-178.3	-175.2	161.7	0	0	111.3	K87 K101 Q107 A108 M109 F272	K87-E105 WeakPolarHBondContact CE-OE1 3.39Å; K87-E105 IonicContact NZ-OE1 2.67Å; K87-E105 PolarHBondContact NZ-OE1 3.03Å; K101-E105 PolarHBondContact O-N 3.42Å; E105-Q107 PolarHBondContact O-N 3.42Å; E105-A108 PolarHBondContact O-N 2.81Å; E105-M109 WeakPolarHBondContact O-CG 3.2Å; E105-M109 PolarHBondContact O-N 3.27Å; E105-F272 HydrophobicContact CG-CB 4.37Å
106	V	89.2	Confident	83.2	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-39.8	175.5	170.1	0	0	0	0	111.8	P14 I102 T103 A108 M109 V110 L149 V152 I161	P14-V106 HydrophobicContact CB-CG1 4.35Å; I102-V106 WeakPolarHBondContact O-CG2 3.36Å; I102-V106 PolarHBondContact O-N 3.34Å; I102-V106 VanDerWaalsContact O-N 3.12Å; T103-V106 PolarHBondContact O-N 2.7Å; V106-A108 VanDerWaalsContact C-N 3.34Å; V106-A108 PolarHBondContact O-N 2.83Å; V106-M109 PolarHBondContact O-N 3.07Å; V106-V110 HydrophobicContact CG1-CG2 4.21Å; V106-V110 WeakPolarHBondContact O-CB 3.46Å; V106-V110 WeakPolarHBondContact O-CG2 3.43Å; V106-V110 PolarHBondContact O-N 2.97Å; V106-L149 HydrophobicContact CG1-CD2 4.42Å; V106-V152 HydrophobicContact CG1-CG2 3.99Å; V106-V152 HydrophobicContact CG2-CG1 4.25Å; V106-V152 HydrophobicContact CG2-CG2 4.11Å; V106-I161 HydrophobicContact CG2-CD1 3.68Å; V106-I161 HydrophobicContact CG2-CG1 4.19Å
107	Q	87.6	Confident	80.7	Confident	74 Å²	74	40.7 Å²	40.7	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-35.4	177.5	-77.7	174.7	-50.5	0	0	112.7	P14 T103 S104 E105 S111	P14-Q107 HydrophobicContact CG-CG 4.01Å; T103-Q107 HydrophobicContact CG2-CG 4.34Å; T103-Q107 WeakPolarHBondContact O-CB 3.36Å; T103-Q107 VanDerWaalsContact O-CG 3.23Å; T103-Q107 WeakPolarHBondContact O-CG 3.27Å; T103-Q107 PolarHBondContact O-N 3.4Å; S104-Q107 PolarHBondContact O-N 3.22Å; E105-Q107 PolarHBondContact O-N 3.42Å; Q107-S111 WeakPolarHBondContact O-CB 3.27Å; Q107-S111 PolarHBondContact O-N 2.84Å; Q107-S111 PolarHBondContact O-OG 3.33Å
108	A	90.3	Very high	78	Confident	6 Å²	6	42.5 Å²	42.5	5%	0.05	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-53.4	174.1	0	0	0	0	0	110.8	S104 E105 V106 V110 S111 L112 M246 F272 A275	S104-A108 PolarHBondContact O-N 3.42Å; E105-A108 PolarHBondContact O-N 2.81Å; V106-A108 VanDerWaalsContact C-N 3.34Å; V106-A108 PolarHBondContact O-N 2.83Å; A108-V110 VanDerWaalsContact C-N 3.3Å; A108-V110 PolarHBondContact O-N 3.14Å; A108-S111 WeakPolarHBondContact O-CB 3.3Å; A108-S111 PolarHBondContact O-N 3.15Å; A108-S111 VanDerWaalsContact O-N 3.1Å; A108-L112 WeakPolarHBondContact O-CD1 3.33Å; A108-L112 VanDerWaalsContact O-CG 3.28Å; A108-L112 WeakPolarHBondContact O-CG 3.49Å; A108-L112 PolarHBondContact O-N 3.24Å; A108-M246 HydrophobicContact CB-CE 3.86Å; A108-M246 HydrophobicContact CB-SD 3.98Å; A108-F272 HydrophobicContact CB-CB 3.96Å; A108-F272 HydrophobicContact CB-CD1 4.45Å; A108-F272 HydrophobicContact CB-CG 4.33Å; A108-A275 HydrophobicContact CB-CB 4.12Å
109	M	89.9	Confident	75.3	Confident	4 Å²	4	46 Å²	46	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-54.5	-44.3	176.2	-64.9	174.4	72.5	0	0	112.8	E105 V106 S111 L112 Q113 P147 L149 I161 M163 F272	E105-M109 WeakPolarHBondContact O-CG 3.2Å; E105-M109 PolarHBondContact O-N 3.27Å; V106-M109 PolarHBondContact O-N 3.07Å; M109-S111 VanDerWaalsContact C-N 3.35Å; M109-S111 PolarHBondContact O-N 2.82Å; M109-L112 PolarHBondContact O-N 2.74Å; M109-Q113 WeakPolarHBondContact O-CG 3.48Å; M109-Q113 PolarHBondContact O-N 2.82Å; M109-Q113 PolarHBondContact O-NE2 2.75Å; M109-P147 HydrophobicContact CE-CG 4.01Å; M109-L149 HydrophobicContact CB-CD2 4.5Å; M109-L149 HydrophobicContact CE-CB 4.36Å; M109-L149 HydrophobicContact CE-CD1 4Å; M109-I161 HydrophobicContact CE-CG2 4.25Å; M109-I161 HydrophobicContact SD-CG2 4.28Å; M109-M163 HydrophobicContact CE-CG 3.84Å; M109-M163 HydrophobicContact CE-SD 3.46Å; M109-M163 WeakPolarHBondContact CE-SD 3.5Å; M109-M163 HydrophobicContact SD-SD 4.46Å; M109-F272 HydrophobicContact CG-CD2 3.42Å; M109-F272 VanDerWaalsContact CG-CD2 3.42Å; M109-F272 HydrophobicContact CG-CE2 3.9Å; M109-F272 HydrophobicContact CG-CG 4.22Å; M109-F272 HydrophobicContact SD-CD2 4.38Å
110	V	86.2	Confident	72.5	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-34.3	179.5	166.8	0	0	0	0	112.3	Y72 V106 A108 L112 R114 L149	Y72-V110 HydrophobicContact CD1-CB 4.39Å; Y72-V110 HydrophobicContact CD1-CG1 3.83Å; Y72-V110 HydrophobicContact CD1-CG2 3.76Å; Y72-V110 HydrophobicContact CD2-CG2 4.21Å; Y72-V110 HydrophobicContact CE1-CB 4.08Å; Y72-V110 HydrophobicContact CE1-CG1 3.45Å; Y72-V110 VanDerWaalsContact CE1-CG1 3.45Å; Y72-V110 HydrophobicContact CE1-CG2 3.37Å; Y72-V110 HydrophobicContact CE2-CG2 3.86Å; Y72-V110 HydrophobicContact CG-CG2 4.16Å; Y72-V110 VanDerWaalsContact CZ-CG2 3.42Å; V106-V110 HydrophobicContact CG1-CG2 4.21Å; V106-V110 WeakPolarHBondContact O-CB 3.46Å; V106-V110 WeakPolarHBondContact O-CG2 3.43Å; V106-V110 PolarHBondContact O-N 2.97Å; A108-V110 VanDerWaalsContact C-N 3.3Å; A108-V110 PolarHBondContact O-N 3.14Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-R114 VanDerWaalsContact O-CD 3.32Å; V110-R114 WeakPolarHBondContact O-CD 3.37Å; V110-R114 VanDerWaalsContact O-CG 3.27Å; V110-R114 WeakPolarHBondContact O-CG 3.49Å; V110-L149 HydrophobicContact CG2-CD2 3.6Å
111	S	85.5	Confident	69.8	Low	30 Å²	30	55.7 Å²	55.7	21%	0.21	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-33.8	172.8	-71.3	0	0	0	0	112.2	Q107 A108 M109 Q113	Q107-S111 WeakPolarHBondContact O-CB 3.27Å; Q107-S111 PolarHBondContact O-N 2.84Å; Q107-S111 PolarHBondContact O-OG 3.33Å; A108-S111 WeakPolarHBondContact O-CB 3.3Å; A108-S111 PolarHBondContact O-N 3.15Å; A108-S111 VanDerWaalsContact O-N 3.1Å; M109-S111 VanDerWaalsContact C-N 3.35Å; M109-S111 PolarHBondContact O-N 2.82Å; S111-Q113 PolarHBondContact O-N 2.98Å
112	L	88.5	Confident	67.1	Low	4 Å²	4	57.5 Å²	57.5	2%	0.021	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	1.9	179.6	-64.9	159.4	0	0	0	114	A108 M109 V110 P141 A145 Y239 M240 L244 M246 F272	A108-L112 WeakPolarHBondContact O-CD1 3.33Å; A108-L112 VanDerWaalsContact O-CG 3.28Å; A108-L112 WeakPolarHBondContact O-CG 3.49Å; A108-L112 PolarHBondContact O-N 3.24Å; M109-L112 PolarHBondContact O-N 2.74Å; V110-L112 VanDerWaalsContact C-N 3.34Å; L112-P141 WeakPolarHBondContact O-CB 3.24Å; L112-A145 HydrophobicContact CB-CB 4.42Å; L112-A145 HydrophobicContact CD2-CB 4.07Å; L112-Y239 HydrophobicContact CD2-CD1 4.15Å; L112-Y239 HydrophobicContact CD2-CE1 4.42Å; L112-M240 HydrophobicContact CD1-CE 4.29Å; L112-M240 HydrophobicContact CD2-CE 4.05Å; L112-M240 HydrophobicContact CD2-CG 3.79Å; L112-L244 HydrophobicContact CD2-CD1 3.36Å; L112-L244 HydrophobicContact CG-CD1 3.91Å; L112-M246 HydrophobicContact CD1-SD 4.32Å; L112-F272 HydrophobicContact CD1-CD1 3.79Å; L112-F272 HydrophobicContact CD1-CE1 3.29Å; L112-F272 HydrophobicContact CD1-CE2 4.39Å; L112-F272 HydrophobicContact CD1-CZ 3.65Å
113	Q	77.8	Confident	64.4	Low	45 Å²	45	61.3 Å²	61.3	21%	0.21	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	8.2	-178.9	-70.4	171.5	55.3	0	0	113.2	M109 S111 S146 P147	M109-Q113 WeakPolarHBondContact O-CG 3.48Å; M109-Q113 PolarHBondContact O-N 2.82Å; M109-Q113 PolarHBondContact O-NE2 2.75Å; S111-Q113 PolarHBondContact O-N 2.98Å; Q113-S146 PolarHBondContact NE2-OG 3.27Å; Q113-P147 PolarHBondContact NE2-O 2.88Å
114	R	67	Low	61.7	Low	121 Å²	121	65.5 Å²	65.5	46%	0.457	34%	0.34	S	S	.	.			trans	-111.5	129.5	-172.2	-81.1	172.9	173.4	-173.6	-2.3	113.3	V110 H116	V110-R114 VanDerWaalsContact O-CD 3.32Å; V110-R114 WeakPolarHBondContact O-CD 3.37Å; V110-R114 VanDerWaalsContact O-CG 3.27Å; V110-R114 WeakPolarHBondContact O-CG 3.49Å; R114-H116 PolarHBondContact O-N 3.42Å
115	D	53.9	Low	58.9	Low	45 Å²	45	73.1 Å²	73.1	24%	0.241	36%	0.361	C	S	.	.			trans	-60	104	156.7	-68.6	-21.1	0	0	0	109.7	L117 L140 K770	D115-L117 HydrophobicContact CB-CD1 4.45Å; D115-L117 PolarHBondContact O-N 3.3Å; D115-L117 VanDerWaalsContact O-N 3.13Å; D115-L140 VanDerWaalsContact OD1-CD1 3.31Å; D115-L140 WeakPolarHBondContact OD1-CD1 3.41Å; D115-K770 IonicContact OD2-NZ 2.6Å; D115-K770 PolarHBondContact OD2-NZ 2.7Å
116	H	48.6	Very low	55.9	Low	57 Å²	57	80 Å²	80	26%	0.264	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16	177.8	-69.9	-39.9	0	0	0	113.9	R114 N118 T119 Y239 L244	R114-H116 PolarHBondContact O-N 3.42Å; H116-N118 PolarHBondContact O-N 3.4Å; H116-N118 VanDerWaalsContact O-N 3.1Å; H116-T119 WeakPolarHBondContact O-CB 3.49Å; H116-T119 PolarHBondContact O-N 2.85Å; H116-T119 PolarHBondContact O-OG1 2.65Å; H116-Y239 PolarHBondContact CD2-OH 2.79Å; H116-Y239 PolarHBondContact NE2-OH 2.86Å; H116-L244 WeakPolarHBondContact NE2-CD2 3.5Å
117	L	33.7	Very low	53.2	Low	47 Å²	47	89 Å²	89	25%	0.246	44%	0.437	C	S	.	.	H	α-helix	trans	-41.7	-45.4	177.7	-63.4	172.1	0	0	0	113.5	D115 T119 N138	D115-L117 HydrophobicContact CB-CD1 4.45Å; D115-L117 PolarHBondContact O-N 3.3Å; D115-L117 VanDerWaalsContact O-N 3.13Å; L117-T119 PolarHBondContact O-N 3.42Å; L117-N138 HydrophobicContact CD2-CB 4.13Å
118	N	31.5	Very low	50.3	Low	104 Å²	104	92 Å²	92	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-71.2	-11.2	-176.2	-81.2	-28.1	0	0	0	115.1	H116	H116-N118 PolarHBondContact O-N 3.4Å; H116-N118 VanDerWaalsContact O-N 3.1Å
119	T	32.1	Very low	47.4	Very low	101 Å²	101	96.6 Å²	96.6	62%	0.62	50%	0.495	S	S	*	.	H	α-helix	trans	-93.9	-34.3	-170.3	-37.2	0	0	0	0	113.2	H116 L117	H116-T119 WeakPolarHBondContact O-CB 3.49Å; H116-T119 PolarHBondContact O-N 2.85Å; H116-T119 PolarHBondContact O-OG1 2.65Å; L117-T119 PolarHBondContact O-N 3.42Å
120	Y	28.8	Very low	44.8	Very low	183 Å²	183	104.8 Å²	104.8	72%	0.718	53%	0.533	S	S	*	.	H	α-helix	trans	-84.3	-29.2	-176.8	-94.5	-86.1	0	0	0	113.9	N122 S123	Y120-N122 PolarHBondContact O-N 2.79Å; Y120-S123 PolarHBondContact O-OG 2.97Å
121	H	31.1	Very low	41.9	Very low	139 Å²	139	114 Å²	114	64%	0.644	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-8.6	-174.3	-109.5	-71.4	0	0	0	115.5
122	N	30.5	Very low	39.3	Very low	147 Å²	147	119 Å²	119	79%	0.786	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	6.4	-176.2	-76.5	-62.5	0	0	0	114.6	Y120	Y120-N122 PolarHBondContact O-N 2.79Å
123	S	31.8	Very low	36.5	Very low	81 Å²	81	124 Å²	124	57%	0.566	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-19.8	-179.7	58	0	0	0	0	114.5	Y120 Y125	Y120-S123 PolarHBondContact O-OG 2.97Å; S123-Y125 VanDerWaalsContact C-N 3.29Å; S123-Y125 PolarHBondContact O-N 3.14Å
124	V	31	Very low	34.5	Very low	115 Å²	115	131.5 Å²	131.5	70%	0.697	67%	0.671	S	S	*	*			trans	-87.6	60.2	-173.1	-165.4	0	0	0	0	112.1
125	Y	29.7	Very low	32.6	Very low	217 Å²	217	132.9 Å²	132.9	85%	0.851	69%	0.686	S	S	*	*			trans	-135.7	37.3	172	-94.9	-71.3	0	0	0	112.8	S123	S123-Y125 VanDerWaalsContact C-N 3.29Å; S123-Y125 PolarHBondContact O-N 3.14Å
126	N	29.5	Very low	31.7	Very low	151 Å²	151	136 Å²	136	81%	0.807	71%	0.711	S	S	*	*	S	Bend	trans	-149	127	167.5	-90.2	-59.7	0	0	0	111.4
127	K	31.5	Very low	31.3	Very low	192 Å²	192	139 Å²	139	84%	0.835	73%	0.729	S	S	*	*			trans	63.7	108	176.7	-61.2	-173.5	178.4	-176.9	0	117.6
128	P	27.5	Very low	31.9	Very low	137 Å²	137	143.3 Å²	143.3	89%	0.89	75%	0.752	S	S	*	*			trans	-91.9	104.8	165.1	33.7	-28.2	0	0	0	111.3
129	S	29.8	Very low	33.3	Very low	102 Å²	102	145.5 Å²	145.5	71%	0.713	75%	0.752	S	S	*	*			trans	-155.8	-14.9	172.1	58.1	0	0	0	0	116.8
130	E	33.8	Very low	35.5	Very low	175 Å²	175	146.3 Å²	146.3	82%	0.818	75%	0.752	S	S	*	*			trans	-120.8	135.2	-174.6	-68.1	177.3	174.4	0	0	111.3	P132	E130-P132 WeakPolarHBondContact O-CD 3.44Å
131	K	27.1	Very low	38.1	Very low	201 Å²	201	138.7 Å²	138.7	87%	0.874	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-83.6	116.1	178.2	-71.3	-178.3	176.6	-179.7	0	109.7	S133	K131-S133 PolarHBondContact O-N 3.48Å
132	P	31.1	Very low	41	Very low	134 Å²	134	133.7 Å²	133.7	87%	0.87	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-68.1	123.6	172.1	28.3	-32.6	0	0	0	109.3	E130	E130-P132 WeakPolarHBondContact O-CD 3.44Å
133	S	28.8	Very low	43.8	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-102	138.1	-179.8	63.2	0	0	0	0	111.7	K131	K131-S133 PolarHBondContact O-N 3.48Å
134	K	35.2	Very low	46.8	Very low	203 Å²	203	131 Å²	131	88%	0.883	68%	0.677	S	S	*	*	S	Bend	trans	69.7	135.3	-179.7	-61.5	-175.7	176.7	-179.3	0	116.2
135	I	28.4	Very low	49.8	Very low	151 Å²	151	125.5 Å²	125.5	77%	0.774	64%	0.643	S	S	*	*			trans	-76.7	121.7	-176	-60.3	158.6	0	0	0	109.2	N137	I135-N137 WeakPolarHBondContact CG2-OD1 3.42Å
136	C	34	Very low	52.9	Low	111 Å²	111	115.5 Å²	115.5	75%	0.75	61%	0.606	S	S	*	*			trans	-79.4	112.5	159.8	-63.9	0	0	0	0	107.9	N138	C136-N138 PolarHBondContact O-N 3.1Å
137	N	40	Very low	55.8	Low	120 Å²	120	108.5 Å²	108.5	64%	0.642	57%	0.568	S	S	*	*			trans	-70.6	112.4	176.8	-78	-7.2	0	0	0	109.7	I135 R139	I135-N137 WeakPolarHBondContact CG2-OD1 3.42Å; N137-R139 PolarHBondContact O-N 3.45Å
138	N	46.9	Very low	58.4	Low	136 Å²	136	101.4 Å²	101.4	73%	0.727	54%	0.541	S	S	*	.			trans	-64.1	94.3	177.3	-69.9	-28.8	0	0	0	110.7	L117 C136	L117-N138 HydrophobicContact CD2-CB 4.13Å; C136-N138 PolarHBondContact O-N 3.1Å
139	R	61.5	Low	61.1	Low	151 Å²	151	94.9 Å²	94.9	57%	0.57	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-101.1	141.6	169	-71.7	-174.5	167.8	-162.6	-7.2	110.2	N137	N137-R139 PolarHBondContact O-N 3.45Å
140	L	77	Confident	63.4	Low	117 Å²	117	92.1 Å²	92.1	61%	0.613	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59.8	151.7	160	-121.7	71.6	0	0	0	109.2	D115	D115-L140 VanDerWaalsContact OD1-CD1 3.31Å; D115-L140 WeakPolarHBondContact OD1-CD1 3.41Å
141	P	84.7	Confident	65.6	Low	24 Å²	24	84.1 Å²	84.1	16%	0.156	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-59.7	128.4	164.5	-8.6	20.5	0	0	0	109.3	L112 Y239	L112-P141 WeakPolarHBondContact O-CB 3.24Å; P141-Y239 HydrophobicContact CB-CD1 4.35Å; P141-Y239 HydrophobicContact CB-CE1 3.8Å; P141-Y239 HydrophobicContact CB-CE2 4.34Å; P141-Y239 HydrophobicContact CG-CE1 4.19Å; P141-Y239 HydrophobicContact CG-CE2 4.49Å; P141-Y239 WeakPolarHBondContact CG-OH 3.49Å
142	P	91.4	Very high	68.3	Low	33 Å²	33	74.9 Å²	74.9	21%	0.214	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-68.9	148.6	174.4	29	-33.2	0	0	0	109.8	S144 A145 E235 A236	P142-S144 PolarHBondContact O-N 3.04Å; P142-A145 HydrophobicContact CG-CB 4.17Å; P142-A145 WeakPolarHBondContact O-CB 3.49Å; P142-A145 PolarHBondContact O-N 3.45Å; P142-E235 HydrophobicContact CB-CB 4.47Å; P142-E235 HydrophobicContact CG-CB 4.48Å; P142-A236 HydrophobicContact CG-CB 4.39Å
143	K	90.1	Very high	70.9	Confident	164 Å²	164	69.6 Å²	69.6	71%	0.713	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.8	-24	-178.8	-67.1	-176.8	179.6	177.2	0	113.4	A145 R259	K143-A145 VanDerWaalsContact C-N 3.27Å; K143-A145 PolarHBondContact O-N 2.87Å; K143-R259 PolarHBondContact O-NH1 2.7Å; K143-R259 PolarHBondContact O-NH2 3.38Å
144	S	94.4	Very high	73.4	Confident	7 Å²	7	66 Å²	66	5%	0.049	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-72.8	-13.5	175.8	48.8	0	0	0	0	114.4	P142 S146 S232 A236 V267 F268 F269	P142-S144 PolarHBondContact O-N 3.04Å; S144-S146 PolarHBondContact O-N 3.06Å; S144-S232 WeakPolarHBondContact CB-O 3.09Å; S144-S232 PolarHBondContact OG-O 2.74Å; S144-A236 WeakPolarHBondContact OG-CB 3.48Å; S144-V267 VanDerWaalsContact CA-O 3.23Å; S144-V267 WeakPolarHBondContact CA-O 3.35Å; S144-V267 WeakPolarHBondContact CB-O 3.48Å; S144-F268 VanDerWaalsContact O-CA 3.26Å; S144-F268 WeakPolarHBondContact O-CA 3.4Å; S144-F269 PolarHBondContact O-N 3.27Å
145	A	94.2	Very high	75.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-70.2	-30.5	-172.5	0	0	0	0	0	114.8	L112 P142 K143 A236 M240 F272	L112-A145 HydrophobicContact CB-CB 4.42Å; L112-A145 HydrophobicContact CD2-CB 4.07Å; P142-A145 HydrophobicContact CG-CB 4.17Å; P142-A145 WeakPolarHBondContact O-CB 3.49Å; P142-A145 PolarHBondContact O-N 3.45Å; K143-A145 VanDerWaalsContact C-N 3.27Å; K143-A145 PolarHBondContact O-N 2.87Å; A145-A236 HydrophobicContact CB-CB 4.29Å; A145-M240 WeakPolarHBondContact O-CE 3.33Å; A145-F272 WeakPolarHBondContact O-CZ 3.18Å
146	S	93.4	Very high	78.1	Confident	8 Å²	8	55.3 Å²	55.3	6%	0.056	29%	0.292	C	S	.	.			trans	-166.8	154.5	-177.9	177.5	0	0	0	0	110.1	Q113 S144	Q113-S146 PolarHBondContact NE2-OG 3.27Å; S144-S146 PolarHBondContact O-N 3.06Å
147	P	91.2	Very high	80.5	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.019	29%	0.285	C	S	.	.			trans	-64.9	149.4	159.5	28.3	-34.6	0	0	0	110.8	M109 Q113 L149 M163 E164 F268 F269	M109-P147 HydrophobicContact CE-CG 4.01Å; Q113-P147 PolarHBondContact NE2-O 2.88Å; P147-L149 PolarHBondContact O-N 3.1Å; P147-M163 HydrophobicContact CB-CB 4.31Å; P147-M163 HydrophobicContact CG-CB 4.49Å; P147-M163 HydrophobicContact CG-SD 4.09Å; P147-E164 HydrophobicContact CB-CG 3.64Å; P147-F268 HydrophobicContact CB-CD2 4.04Å; P147-F268 HydrophobicContact CB-CE2 3.57Å; P147-F268 HydrophobicContact CB-CZ 4.15Å; P147-F268 HydrophobicContact CG-CD2 4.3Å; P147-F268 HydrophobicContact CG-CE2 3.96Å; P147-F269 WeakPolarHBondContact CD-O 3.36Å
148	T	85.3	Confident	82.8	Confident	44 Å²	44	52 Å²	52	27%	0.27	26%	0.263	S	S	.	.			trans	-56.3	129.9	167	-52.4	0	0	0	0	110.2	F150 M163 E164	T148-F150 HydrophobicContact CG2-CD2 4.44Å; T148-F150 HydrophobicContact CG2-CE1 4.44Å; T148-F150 HydrophobicContact CG2-CE2 4Å; T148-F150 HydrophobicContact CG2-CZ 4.01Å; T148-M163 VanDerWaalsContact O-CA 3.24Å; T148-M163 WeakPolarHBondContact O-CA 3.2Å; T148-E164 WeakPolarHBondContact CB-OE2 3.36Å; T148-E164 VanDerWaalsContact N-CD 3.34Å; T148-E164 PolarHBondContact N-OE2 3.29Å; T148-E164 PolarHBondContact O-N 3.17Å; T148-E164 VanDerWaalsContact O-N 3.12Å; T148-E164 PolarHBondContact OG1-OE2 3.15Å
149	L	84.4	Confident	84.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	105.1	179.8	177.4	66.4	0	0	0	110.5	Y72 V106 M109 V110 P147 V152 I161 M163	Y72-L149 HydrophobicContact CD2-CD2 3.7Å; Y72-L149 HydrophobicContact CD2-CG 4Å; Y72-L149 HydrophobicContact CE2-CD2 3.84Å; Y72-L149 HydrophobicContact CE2-CG 4.48Å; Y72-L149 HydrophobicContact CG-CD2 4.41Å; V106-L149 HydrophobicContact CG1-CD2 4.42Å; M109-L149 HydrophobicContact CB-CD2 4.5Å; M109-L149 HydrophobicContact CE-CB 4.36Å; M109-L149 HydrophobicContact CE-CD1 4Å; V110-L149 HydrophobicContact CG2-CD2 3.6Å; P147-L149 PolarHBondContact O-N 3.1Å; L149-V152 HydrophobicContact CD1-CG2 3.91Å; L149-V152 HydrophobicContact CD2-CG2 4.18Å; L149-V152 HydrophobicContact CG-CG2 4.42Å; L149-I161 HydrophobicContact CD1-CG2 3.39Å; L149-M163 HydrophobicContact CD1-CG 4.3Å
150	F	78.5	Confident	86.2	Confident	43 Å²	43	38.4 Å²	38.4	19%	0.189	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-42.7	-177.6	-67.2	-89.8	0	0	0	112.8	V78 L84 T148 I162 E164	V78-F150 HydrophobicContact CG2-CD1 3.91Å; V78-F150 HydrophobicContact CG2-CE1 3.49Å; V78-F150 VanDerWaalsContact CG2-CE1 3.49Å; V78-F150 HydrophobicContact CG2-CZ 4.14Å; L84-F150 HydrophobicContact CD2-CD2 4Å; L84-F150 HydrophobicContact CD2-CE2 3.7Å; L84-F150 HydrophobicContact CD2-CZ 4.04Å; T148-F150 HydrophobicContact CG2-CD2 4.44Å; T148-F150 HydrophobicContact CG2-CE1 4.44Å; T148-F150 HydrophobicContact CG2-CE2 4Å; T148-F150 HydrophobicContact CG2-CZ 4.01Å; F150-I162 HydrophobicContact CB-CB 4.48Å; F150-I162 HydrophobicContact CB-CG2 4.16Å; F150-I162 PolarHBondContact N-O 3.33Å; F150-E164 HydrophobicContact CE2-CB 4.1Å
151	A	80.1	Confident	86.9	Confident	7 Å²	7	32.8 Å²	32.8	6%	0.058	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	158.2	-176.8	0	0	0	0	0	113.4	Y153 I162	A151-Y153 HydrophobicContact CB-CD2 4.23Å; A151-Y153 HydrophobicContact CB-CE2 3.5Å; A151-I162 HydrophobicContact CB-CB 4.17Å; A151-I162 HydrophobicContact CB-CG1 4.14Å; A151-I162 PolarHBondContact N-O 2.89Å; A151-I162 PolarHBondContact O-N 3.02Å
152	V	84.2	Confident	87.1	Confident	7 Å²	7	31.7 Å²	31.7	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	113.1	170.5	-176.8	0	0	0	0	110.5	F16 C17 V106 L149 V159 A160 I161	F16-V152 HydrophobicContact CD1-CG1 3.78Å; F16-V152 HydrophobicContact CE1-CG1 3.89Å; C17-V152 PolarHBondContact N-O 3Å; C17-V152 PolarHBondContact SG-O 3.25Å; C17-V152 VanDerWaalsContact SG-O 3.42Å; V106-V152 HydrophobicContact CG1-CG2 3.99Å; V106-V152 HydrophobicContact CG2-CG1 4.25Å; V106-V152 HydrophobicContact CG2-CG2 4.11Å; L149-V152 HydrophobicContact CD1-CG2 3.91Å; L149-V152 HydrophobicContact CD2-CG2 4.18Å; L149-V152 HydrophobicContact CG-CG2 4.42Å; V152-V159 HydrophobicContact CG1-CG1 3.82Å; V152-A160 WeakPolarHBondContact CA-O 3.38Å; V152-I161 HydrophobicContact CG1-CG1 4.46Å; V152-I161 HydrophobicContact CG2-CG2 4.34Å
153	Y	85.1	Confident	86.9	Confident	24 Å²	24	30.5 Å²	30.5	9%	0.094	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.1	177.7	-61.8	-86.3	0	0	0	111.6	C17 L19 W27 L30 Y31 A151 V159 A160 I162	C17-Y153 HydrophobicContact CB-CD1 3.99Å; L19-Y153 HydrophobicContact CD1-CD1 4.35Å; L19-Y153 HydrophobicContact CD2-CD1 4.5Å; W27-Y153 HydrophobicContact CB-CD1 4.35Å; W27-Y153 HydrophobicContact CB-CD2 3.86Å; W27-Y153 HydrophobicContact CB-CE2 4.49Å; W27-Y153 HydrophobicContact CB-CG 3.78Å; L30-Y153 HydrophobicContact CD1-CE1 4Å; L30-Y153 WeakPolarHBondContact CD1-OH 3.41Å; Y31-Y153 AromaticContact CE2-CE2 3.71Å; Y31-Y153 HydrophobicContact CE2-CE2 3.71Å; A151-Y153 HydrophobicContact CB-CD2 4.23Å; A151-Y153 HydrophobicContact CB-CE2 3.5Å; Y153-V159 CarbonylContact O-C 3.4Å; Y153-V159 VanDerWaalsContact O-CA 3.27Å; Y153-V159 WeakPolarHBondContact O-CA 3.16Å; Y153-V159 WeakPolarHBondContact O-CG1 3.44Å; Y153-A160 PolarHBondContact N-O 3.2Å; Y153-A160 PolarHBondContact O-N 3.36Å; Y153-I162 HydrophobicContact CD2-CG1 3.96Å; Y153-I162 HydrophobicContact CE2-CG1 3.87Å
154	K	82.5	Confident	86.8	Confident	34 Å²	34	24.1 Å²	24.1	15%	0.148	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.5	-177.3	167.9	-170.8	169.4	-172.9	0	110	F16 C17 E18	F16-K154 HydrophobicContact CB-CB 4.18Å; F16-K154 HydrophobicContact CB-CD 3.77Å; F16-K154 HydrophobicContact CD1-CB 4.03Å; F16-K154 HydrophobicContact CD1-CD 4.11Å; F16-K154 HydrophobicContact CG-CB 4.47Å; F16-K154 HydrophobicContact CG-CD 3.95Å; C17-K154 PolarHBondContact O-N 2.92Å; E18-K154 HydrophobicContact CG-CD 4.37Å; E18-K154 IonicContact OE1-NZ 3.71Å; E18-K154 PolarHBondContact OE1-NZ 3.49Å
155	D	78.6	Confident	86.7	Confident	48 Å²	48	26.7 Å²	26.7	26%	0.257	14%	0.139	S	C	.	.			trans	-118.3	-161.5	164.7	68.1	45.4	0	0	0	111.5	M157 E158	D155-M157 VanDerWaalsContact C-N 3.33Å; D155-M157 WeakPolarHBondContact OD1-CA 3.32Å; D155-M157 PolarHBondContact OD1-N 2.83Å; D155-E158 PolarHBondContact N-O 3.06Å; D155-E158 PolarHBondContact OD1-N 3.1Å; D155-E158 WeakPolarHBondContact OD2-CG 3.44Å
156	S	82.5	Confident	86.7	Confident	80 Å²	80	27.4 Å²	27.4	56%	0.559	15%	0.145	S	C	*	.	S	Bend	trans	-74.1	-21.8	179.6	50.5	0	0	0	0	113.5	F92	F92-S156 WeakPolarHBondContact CE2-O 3.48Å
157	M	84.5	Confident	86.7	Confident	122 Å²	122	28.5 Å²	28.5	60%	0.601	15%	0.152	S	C	*	.	S	Bend	trans	-121.7	-35.9	-167.7	-61.5	-60.7	-71.1	0	0	113.5	R91 D155	R91-M157 WeakPolarHBondContact CB-O 3.43Å; R91-M157 PolarHBondContact N-O 3.04Å; D155-M157 VanDerWaalsContact C-N 3.33Å; D155-M157 WeakPolarHBondContact OD1-CA 3.32Å; D155-M157 PolarHBondContact OD1-N 2.83Å
158	E	88.9	Confident	86.7	Confident	40 Å²	40	29.1 Å²	29.1	19%	0.187	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158	-178.8	60.8	-179.3	-129.9	0	0	113.7	W27 K28 V88 I89 D155	W27-E158 PolarHBondContact NE1-OE1 3Å; K28-E158 WeakPolarHBondContact CE-OE1 3.48Å; K28-E158 VanDerWaalsContact NZ-CD 3.34Å; K28-E158 IonicContact NZ-OE1 3.94Å; K28-E158 PolarHBondContact NZ-OE1 2.89Å; K28-E158 IonicContact NZ-OE2 2.74Å; K28-E158 PolarHBondContact NZ-OE2 2.98Å; V88-E158 HydrophobicContact CG1-CB 4.29Å; V88-E158 HydrophobicContact CG1-CG 4.48Å; I89-E158 CarbonylContact O-C 3.52Å; I89-E158 VanDerWaalsContact O-CA 3.27Å; I89-E158 WeakPolarHBondContact O-CA 3.32Å; D155-E158 PolarHBondContact N-O 3.06Å; D155-E158 PolarHBondContact OD1-N 3.1Å; D155-E158 WeakPolarHBondContact OD2-CG 3.44Å
159	V	89.6	Confident	87	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.3	167.2	178.7	0	0	0	0	107	F16 I89 I99 I102 V152 Y153 I161	F16-V159 HydrophobicContact CE1-CG1 4.24Å; I89-V159 PolarHBondContact N-O 3.39Å; I89-V159 PolarHBondContact O-N 2.9Å; I99-V159 HydrophobicContact CD1-CG2 3.88Å; I102-V159 HydrophobicContact CD1-CG2 4.25Å; I102-V159 HydrophobicContact CG2-CB 4.09Å; I102-V159 HydrophobicContact CG2-CG1 3.89Å; I102-V159 HydrophobicContact CG2-CG2 4.22Å; V152-V159 HydrophobicContact CG1-CG1 3.82Å; Y153-V159 CarbonylContact O-C 3.4Å; Y153-V159 VanDerWaalsContact O-CA 3.27Å; Y153-V159 WeakPolarHBondContact O-CA 3.16Å; Y153-V159 WeakPolarHBondContact O-CG1 3.44Å; V159-I161 HydrophobicContact CG1-CG1 4.37Å
160	A	90.6	Very high	87.6	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.2	177.5	0	0	0	0	0	109.7	W27 V152 Y153	W27-A160 HydrophobicContact CD2-CB 3.93Å; W27-A160 HydrophobicContact CG-CB 3.8Å; V152-A160 WeakPolarHBondContact CA-O 3.38Å; Y153-A160 PolarHBondContact N-O 3.2Å; Y153-A160 PolarHBondContact O-N 3.36Å
161	I	89.9	Confident	88.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.3	178.9	-52.5	-179.9	0	0	0	107.8	C86 K87 I89 V106 M109 L149 V152 V159 M163	C86-I161 CarbonylContact C-O 3.55Å; C86-I161 WeakPolarHBondContact CA-O 3.42Å; K87-I161 HydrophobicContact CB-CB 4.36Å; K87-I161 PolarHBondContact N-O 3.47Å; K87-I161 PolarHBondContact O-N 3.16Å; I89-I161 HydrophobicContact CD1-CD1 3.6Å; I89-I161 HydrophobicContact CD1-CG1 4.2Å; V106-I161 HydrophobicContact CG2-CD1 3.68Å; V106-I161 HydrophobicContact CG2-CG1 4.19Å; M109-I161 HydrophobicContact CE-CG2 4.25Å; M109-I161 HydrophobicContact SD-CG2 4.28Å; L149-I161 HydrophobicContact CD1-CG2 3.39Å; V152-I161 HydrophobicContact CG1-CG1 4.46Å; V152-I161 HydrophobicContact CG2-CG2 4.34Å; V159-I161 HydrophobicContact CG1-CG1 4.37Å; I161-M163 HydrophobicContact CG2-CG 3.85Å; I161-M163 HydrophobicContact CG2-SD 3.98Å
162	I	89.3	Confident	89	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.1	-177	-49	-55.1	0	0	0	109.6	Y31 I49 L84 A85 C86 F150 A151 Y153	Y31-I162 HydrophobicContact CD2-CD1 4.44Å; Y31-I162 HydrophobicContact CE1-CG2 4.37Å; Y31-I162 HydrophobicContact CE2-CD1 4.32Å; Y31-I162 HydrophobicContact CE2-CG1 4.14Å; I49-I162 HydrophobicContact CD1-CD1 4.02Å; I49-I162 HydrophobicContact CD1-CG2 4.11Å; L84-I162 HydrophobicContact CB-CG2 4.3Å; L84-I162 HydrophobicContact CD1-CG2 3.89Å; A85-I162 WeakPolarHBondContact O-CA 3.38Å; C86-I162 HydrophobicContact CB-CD1 3.84Å; C86-I162 VanDerWaalsContact SG-CD1 3.53Å; F150-I162 HydrophobicContact CB-CB 4.48Å; F150-I162 HydrophobicContact CB-CG2 4.16Å; F150-I162 PolarHBondContact N-O 3.33Å; A151-I162 HydrophobicContact CB-CB 4.17Å; A151-I162 HydrophobicContact CB-CG1 4.14Å; A151-I162 PolarHBondContact N-O 2.89Å; A151-I162 PolarHBondContact O-N 3.02Å; Y153-I162 HydrophobicContact CD2-CG1 3.96Å; Y153-I162 HydrophobicContact CE2-CG1 3.87Å
163	M	88.6	Confident	89.4	Confident	9 Å²	9	33.4 Å²	33.4	4%	0.044	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	168.3	-168.3	-55.4	172.6	-66.4	0	0	111.2	A85 K87 M109 P147 T148 L149 I161	A85-M163 HydrophobicContact CB-CB 4.47Å; A85-M163 HydrophobicContact CB-CE 4.39Å; A85-M163 PolarHBondContact N-O 2.93Å; A85-M163 PolarHBondContact O-N 3.01Å; K87-M163 HydrophobicContact CB-CE 3.7Å; M109-M163 HydrophobicContact CE-CG 3.84Å; M109-M163 HydrophobicContact CE-SD 3.46Å; M109-M163 WeakPolarHBondContact CE-SD 3.5Å; M109-M163 HydrophobicContact SD-SD 4.46Å; P147-M163 HydrophobicContact CB-CB 4.31Å; P147-M163 HydrophobicContact CG-CB 4.49Å; P147-M163 HydrophobicContact CG-SD 4.09Å; T148-M163 VanDerWaalsContact O-CA 3.24Å; T148-M163 WeakPolarHBondContact O-CA 3.2Å; L149-M163 HydrophobicContact CD1-CG 4.3Å; I161-M163 HydrophobicContact CG2-CG 3.85Å; I161-M163 HydrophobicContact CG2-SD 3.98Å
164	E	88.1	Confident	89.7	Confident	30 Å²	30	32.7 Å²	32.7	14%	0.14	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	151	168.8	73.9	-164.9	-150.7	0	0	112.1	A85 P147 T148 F150 R259 F268	A85-E164 WeakPolarHBondContact CB-O 3.23Å; P147-E164 HydrophobicContact CB-CG 3.64Å; T148-E164 WeakPolarHBondContact CB-OE2 3.36Å; T148-E164 VanDerWaalsContact N-CD 3.34Å; T148-E164 PolarHBondContact N-OE2 3.29Å; T148-E164 PolarHBondContact O-N 3.17Å; T148-E164 VanDerWaalsContact O-N 3.12Å; T148-E164 PolarHBondContact OG1-OE2 3.15Å; F150-E164 HydrophobicContact CE2-CB 4.1Å; E164-R259 IonicContact OE1-CZ 3.93Å; E164-R259 IonicContact OE1-NE 3Å; E164-R259 PolarHBondContact OE1-NE 2.78Å; E164-R259 IonicContact OE1-NH2 3.07Å; E164-R259 PolarHBondContact OE1-NH2 2.89Å; E164-F268 HydrophobicContact CG-CZ 4.34Å
165	Y	92	Very high	90.2	Very high	61 Å²	61	31 Å²	31	24%	0.239	17%	0.173	C	C	.	.			trans	-97.8	112.3	179.4	177.2	-93.9	0	0	0	110.8	I38 K48 Y83 S167	I38-Y165 HydrophobicContact CD1-CD2 4.21Å; I38-Y165 HydrophobicContact CD1-CE2 3.8Å; K48-Y165 HydrophobicContact CB-CD2 4.47Å; K48-Y165 HydrophobicContact CB-CE2 4.01Å; K48-Y165 HydrophobicContact CD-CD2 4.35Å; K48-Y165 HydrophobicContact CD-CE2 3.56Å; K48-Y165 HydrophobicContact CG-CD2 3.98Å; K48-Y165 HydrophobicContact CG-CE2 3.6Å; K48-Y165 PolarHBondContact NZ-OH 3.5Å; K48-Y165 VanDerWaalsContact NZ-OH 3.16Å; Y83-Y165 WeakPolarHBondContact O-CB 3.16Å; Y165-S167 PolarHBondContact O-N 3.36Å
166	A	93.5	Very high	90.6	Very high	15 Å²	15	35.4 Å²	35.4	12%	0.124	19%	0.186	C	C	.	.			trans	-64.9	110.7	167.4	0	0	0	0	0	110.3	L257 L258 F268	A166-L257 HydrophobicContact CB-CB 3.67Å; A166-L257 HydrophobicContact CB-CD1 3.95Å; A166-L257 HydrophobicContact CB-CG 4.41Å; A166-L258 WeakPolarHBondContact CB-O 3.43Å; A166-F268 HydrophobicContact CB-CE1 4Å; A166-F268 HydrophobicContact CB-CZ 3.87Å
167	S	92.3	Very high	90.8	Very high	30 Å²	30	34.1 Å²	34.1	21%	0.21	18%	0.177	C	C	.	.	S	Bend	trans	-82.1	-20.6	180	92.5	0	0	0	0	113	Y165 N204 R259 Q260 P261	Y165-S167 PolarHBondContact O-N 3.36Å; S167-N204 PolarHBondContact O-ND2 3.06Å; S167-R259 WeakPolarHBondContact CB-O 3.24Å; S167-R259 PolarHBondContact N-O 3.03Å; S167-R259 PolarHBondContact OG-O 2.81Å; S167-R259 VanDerWaalsContact OG-O 3.11Å; S167-Q260 WeakPolarHBondContact OG-CA 3.25Å; S167-Q260 PolarHBondContact OG-OE1 3.03Å; S167-P261 WeakPolarHBondContact OG-CD 3.48Å
168	G	91.7	Very high	90.9	Very high	16 Å²	16	28.7 Å²	28.7	17%	0.165	15%	0.152	C	C	.	.	S	Bend	trans	-83	-12.5	178.4	0	0	0	0	0	115.8	L258 Q260	G168-L258 PolarHBondContact N-O 2.73Å; G168-L258 VanDerWaalsContact N-O 3.07Å; G168-Q260 WeakPolarHBondContact CA-O 3.48Å
169	G	93.1	Very high	90.6	Very high	26 Å²	26	29.1 Å²	29.1	27%	0.268	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.8	-158.8	-175.8	0	0	0	0	0	113.1	L257 L258	G169-L257 WeakPolarHBondContact O-CA 3.35Å; G169-L258 PolarHBondContact O-N 3.19Å
170	S	95.2	Very high	89.2	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	158	178.2	73.2	0	0	0	0	112.8	Y172 D173 L174 L256	S170-Y172 PolarHBondContact O-N 3.24Å; S170-Y172 PolarHBondContact OG-N 3.21Å; S170-D173 WeakPolarHBondContact CB-OD2 3.07Å; S170-D173 PolarHBondContact N-OD2 2.85Å; S170-D173 PolarHBondContact O-N 3.16Å; S170-D173 VanDerWaalsContact O-N 3.11Å; S170-D173 VanDerWaalsContact OG-CG 3.23Å; S170-D173 PolarHBondContact OG-N 2.79Å; S170-D173 VanDerWaalsContact OG-N 3.11Å; S170-D173 PolarHBondContact OG-OD2 3.21Å; S170-L174 PolarHBondContact O-N 3.48Å; S170-L174 VanDerWaalsContact O-N 3.1Å; S170-L256 WeakPolarHBondContact CA-O 3.19Å
171	L	95.8	Very high	87.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-26	170.8	-65.9	-174.5	0	0	0	112.1	L174 C175 L229 I233 A253 L256 L258 V267 L320	L171-L174 HydrophobicContact CD2-CD2 4.33Å; L171-C175 WeakPolarHBondContact O-CB 3.46Å; L171-C175 PolarHBondContact O-N 2.97Å; L171-C175 PolarHBondContact O-SG 3.12Å; L171-L229 HydrophobicContact CD1-CD1 4.21Å; L171-L229 HydrophobicContact CD2-CD1 3.76Å; L171-L229 HydrophobicContact CD2-CD2 4.26Å; L171-I233 HydrophobicContact CD1-CD1 4.33Å; L171-A253 HydrophobicContact CB-CB 4.21Å; L171-A253 PolarHBondContact N-O 3.18Å; L171-A253 VanDerWaalsContact N-O 3.12Å; L171-L256 HydrophobicContact CD1-CB 3.75Å; L171-L256 HydrophobicContact CD1-CD1 4.07Å; L171-L256 HydrophobicContact CG-CB 4Å; L171-L256 PolarHBondContact N-O 3.43Å; L171-L258 HydrophobicContact CD2-CD1 3.96Å; L171-L258 HydrophobicContact CD2-CD2 3.99Å; L171-L258 HydrophobicContact CD2-CG 3.88Å; L171-V267 HydrophobicContact CD1-CG2 4.15Å; L171-V267 HydrophobicContact CG-CG2 4.41Å; L171-L320 HydrophobicContact CB-CD2 4.36Å; L171-L320 HydrophobicContact CD1-CD2 4.24Å
172	Y	93.9	Very high	84.7	Confident	74 Å²	74	46.3 Å²	46.3	29%	0.29	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-45.8	171.4	176.6	-88.5	0	0	0	111.6	S170 L174 C175 R176 A253 E254 Y319	S170-Y172 PolarHBondContact O-N 3.24Å; S170-Y172 PolarHBondContact OG-N 3.21Å; Y172-L174 VanDerWaalsContact C-N 3.3Å; Y172-L174 PolarHBondContact O-N 3.43Å; Y172-C175 PolarHBondContact O-N 3.01Å; Y172-R176 HydrophobicContact CE1-CB 4.49Å; Y172-R176 WeakPolarHBondContact O-CB 3.39Å; Y172-R176 PolarHBondContact O-N 2.91Å; Y172-R176 PolarHBondContact OH-NH1 3.17Å; Y172-R176 VanDerWaalsContact OH-NH1 3.1Å; Y172-A253 PolarHBondContact N-O 2.9Å; Y172-E254 HydrophobicContact CD2-CG 4.22Å; Y172-E254 HydrophobicContact CG-CG 3.93Å; Y172-Y319 HydrophobicContact CD2-CE1 4.47Å
173	D	91.5	Very high	82.3	Confident	82 Å²	82	53 Å²	53	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-38.4	177.5	-60.7	-59.9	0	0	0	111.4	S170 S177	S170-D173 WeakPolarHBondContact CB-OD2 3.07Å; S170-D173 PolarHBondContact N-OD2 2.85Å; S170-D173 PolarHBondContact O-N 3.16Å; S170-D173 VanDerWaalsContact O-N 3.11Å; S170-D173 VanDerWaalsContact OG-CG 3.23Å; S170-D173 PolarHBondContact OG-N 2.79Å; S170-D173 VanDerWaalsContact OG-N 3.11Å; S170-D173 PolarHBondContact OG-OD2 3.21Å; D173-S177 WeakPolarHBondContact O-CB 3.27Å; D173-S177 PolarHBondContact O-N 2.69Å; D173-S177 VanDerWaalsContact O-N 3.17Å; D173-S177 PolarHBondContact O-OG 2.68Å
174	L	92.4	Very high	79.7	Confident	9 Å²	9	58 Å²	58	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-52.5	174.3	177.7	59	0	0	0	111.7	S170 L171 Y172 R176 S177 A178 I209 L221 Y225 L258 Y262	S170-L174 PolarHBondContact O-N 3.48Å; S170-L174 VanDerWaalsContact O-N 3.1Å; L171-L174 HydrophobicContact CD2-CD2 4.33Å; Y172-L174 VanDerWaalsContact C-N 3.3Å; Y172-L174 PolarHBondContact O-N 3.43Å; L174-R176 PolarHBondContact O-N 2.82Å; L174-S177 CarbonylContact O-C 3.55Å; L174-S177 PolarHBondContact O-N 2.98Å; L174-A178 WeakPolarHBondContact O-CB 3.29Å; L174-A178 PolarHBondContact O-N 2.75Å; L174-I209 HydrophobicContact CD1-CD1 4.19Å; L174-I209 HydrophobicContact CD1-CG1 4.48Å; L174-L221 HydrophobicContact CD1-CD2 4.35Å; L174-L221 HydrophobicContact CD2-CD1 4.38Å; L174-L221 HydrophobicContact CD2-CD2 4.21Å; L174-L221 HydrophobicContact CG-CD1 4.42Å; L174-L221 HydrophobicContact CG-CD2 4.15Å; L174-Y225 HydrophobicContact CD2-CE1 3.74Å; L174-Y225 WeakPolarHBondContact CD2-OH 3.38Å; L174-L258 HydrophobicContact CD2-CD1 3.95Å; L174-Y262 HydrophobicContact CD1-CD2 3.98Å; L174-Y262 HydrophobicContact CD1-CG 4.04Å; L174-Y262 HydrophobicContact CD2-CD2 4.08Å
175	C	91.7	Very high	76.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-44.7	179.2	-67.5	0	0	0	0	111.6	L171 Y172 S177 A178 Y179 Y319 L320	L171-C175 WeakPolarHBondContact O-CB 3.46Å; L171-C175 PolarHBondContact O-N 2.97Å; L171-C175 PolarHBondContact O-SG 3.12Å; Y172-C175 PolarHBondContact O-N 3.01Å; C175-S177 PolarHBondContact O-N 3.07Å; C175-S177 VanDerWaalsContact O-N 3.13Å; C175-A178 PolarHBondContact O-N 2.78Å; C175-A178 VanDerWaalsContact O-N 3.16Å; C175-Y179 HydrophobicContact CB-CD2 4.17Å; C175-Y179 HydrophobicContact CB-CE2 4.44Å; C175-Y179 VanDerWaalsContact O-CD2 3.31Å; C175-Y179 WeakPolarHBondContact O-CD2 3.33Å; C175-Y179 PolarHBondContact O-N 3.25Å; C175-Y319 HydrophobicContact CB-CD1 4.47Å; C175-Y319 HydrophobicContact CB-CE1 3.64Å; C175-L320 VanDerWaalsContact SG-CD2 3.55Å
176	R	88.1	Confident	74	Confident	140 Å²	140	62.8 Å²	62.8	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-55.9	-29.9	174.6	-177	-179.2	-176.7	92.1	15.4	112.8	Y172 L174 L180	Y172-R176 HydrophobicContact CE1-CB 4.49Å; Y172-R176 WeakPolarHBondContact O-CB 3.39Å; Y172-R176 PolarHBondContact O-N 2.91Å; Y172-R176 PolarHBondContact OH-NH1 3.17Å; Y172-R176 VanDerWaalsContact OH-NH1 3.1Å; L174-R176 PolarHBondContact O-N 2.82Å; R176-L180 WeakPolarHBondContact O-CD2 3.32Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å
177	S	85.9	Confident	71.1	Confident	53 Å²	53	65.4 Å²	65.4	37%	0.371	39%	0.392	S	S	.	.	H	α-helix	trans	-91.2	-27.6	-179.8	-54.9	0	0	0	0	113.1	D173 L174 C175 L180	D173-S177 WeakPolarHBondContact O-CB 3.27Å; D173-S177 PolarHBondContact O-N 2.69Å; D173-S177 VanDerWaalsContact O-N 3.17Å; D173-S177 PolarHBondContact O-OG 2.68Å; L174-S177 CarbonylContact O-C 3.55Å; L174-S177 PolarHBondContact O-N 2.98Å; C175-S177 PolarHBondContact O-N 3.07Å; C175-S177 VanDerWaalsContact O-N 3.13Å; S177-L180 WeakPolarHBondContact O-CD1 3.33Å; S177-L180 WeakPolarHBondContact O-CG 3.47Å
178	A	85.7	Confident	68.1	Low	8 Å²	8	70.9 Å²	70.9	7%	0.066	42%	0.424	C	S	.	.	H	α-helix	trans	-81.2	-33.4	176.3	0	0	0	0	0	113.3	L174 C175 I209 F218 L221	L174-A178 WeakPolarHBondContact O-CB 3.29Å; L174-A178 PolarHBondContact O-N 2.75Å; C175-A178 PolarHBondContact O-N 2.78Å; C175-A178 VanDerWaalsContact O-N 3.16Å; A178-I209 HydrophobicContact CB-CG2 4.37Å; A178-F218 WeakPolarHBondContact O-CE1 3.48Å; A178-L221 HydrophobicContact CB-CD2 4Å; A178-L221 HydrophobicContact CB-CG 4.11Å
179	Y	84.2	Confident	65.1	Low	49 Å²	49	73 Å²	73	19%	0.192	45%	0.446	C	S	.	.	S	Bend	trans	-103.6	46	-178.1	-62	-77.5	0	0	0	112	C175 C181 L221 L320 L321 R354	C175-Y179 HydrophobicContact CB-CD2 4.17Å; C175-Y179 HydrophobicContact CB-CE2 4.44Å; C175-Y179 VanDerWaalsContact O-CD2 3.31Å; C175-Y179 WeakPolarHBondContact O-CD2 3.33Å; C175-Y179 PolarHBondContact O-N 3.25Å; Y179-C181 PolarHBondContact O-N 3.41Å; Y179-C181 VanDerWaalsContact O-N 3.08Å; Y179-L221 HydrophobicContact CE2-CG 4.27Å; Y179-L221 PolarHBondContact OH-N 3.23Å; Y179-L320 PolarHBondContact OH-O 2.9Å; Y179-L321 VanDerWaalsContact OH-C 3.24Å; Y179-L321 PolarHBondContact OH-O 2.89Å; Y179-R354 PolarHBondContact OH-NH2 3.38Å
180	L	60.5	Low	62.1	Low	93 Å²	93	76 Å²	76	49%	0.487	46%	0.463	S	S	.	.			trans	-75.8	98.1	-171.8	-85.5	174	0	0	0	114.4	R176 S177 F218	R176-L180 WeakPolarHBondContact O-CD2 3.32Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å; S177-L180 WeakPolarHBondContact O-CD1 3.33Å; S177-L180 WeakPolarHBondContact O-CG 3.47Å; L180-F218 WeakPolarHBondContact O-CZ 3.31Å
181	C	49.1	Very low	59.1	Low	107 Å²	107	81.2 Å²	81.2	72%	0.723	50%	0.496	S	S	*	.	S	Bend	trans	71.5	90.7	152.6	-62.4	0	0	0	0	118.8	Y179	Y179-C181 PolarHBondContact O-N 3.41Å; Y179-C181 VanDerWaalsContact O-N 3.08Å
182	D	35.7	Very low	56	Low	162 Å²	162	88 Å²	88	87%	0.866	54%	0.542	S	S	*	.	S	Bend	trans	-144.7	20.7	137.3	-133.8	-1.8	0	0	0	115.3
183	F	39.9	Very low	52.9	Low	141 Å²	141	87.7 Å²	87.7	62%	0.618	56%	0.562	S	S	*	*			trans	-104.4	25.8	-177.5	-92.8	-86	0	0	0	114.9	A185 I324	F183-A185 PolarHBondContact O-N 3.14Å; F183-I324 HydrophobicContact CD1-CD1 4.39Å; F183-I324 HydrophobicContact CD2-CD1 4.05Å; F183-I324 HydrophobicContact CE1-CD1 4.08Å; F183-I324 HydrophobicContact CE2-CD1 3.71Å; F183-I324 HydrophobicContact CG-CD1 4.38Å; F183-I324 HydrophobicContact CZ-CD1 3.73Å
184	A	32.5	Very low	49.7	Very low	113 Å²	113	90 Å²	90	93%	0.934	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	18	-179.1	0	0	0	0	0	114.9
185	A	30.8	Very low	46.7	Very low	101 Å²	101	98.1 Å²	98.1	84%	0.835	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	-6.3	-165.6	0	0	0	0	0	115.6	F183	F183-A185 PolarHBondContact O-N 3.14Å
186	S	30.6	Very low	43.5	Very low	90 Å²	90	100.9 Å²	100.9	63%	0.629	64%	0.636	S	S	*	*	S	Bend	trans	-103.9	128.5	176.2	53.6	0	0	0	0	112.3
187	S	32.3	Very low	40.6	Very low	71 Å²	71	98.5 Å²	98.5	50%	0.497	64%	0.637	S	S	.	*			trans	2	122	179.6	21.5	0	0	0	0	121.5	G189 E330	S187-G189 PolarHBondContact O-N 2.75Å; S187-E330 WeakPolarHBondContact CB-OE1 3.43Å; S187-E330 PolarHBondContact OG-OE1 2.7Å
188	T	29	Very low	37.6	Very low	145 Å²	145	107.8 Å²	107.8	89%	0.89	66%	0.664	S	S	*	*			trans	-51	102	161	49.1	0	0	0	0	115.8
189	G	28.5	Very low	35	Very low	60 Å²	60	114 Å²	114	62%	0.619	70%	0.695	S	S	*	*				106	112.6	120.3	0	0	0	0	0	120.7	S187	S187-G189 PolarHBondContact O-N 2.75Å
190	S	31.2	Very low	32.2	Very low	89 Å²	89	117.5 Å²	117.5	62%	0.622	73%	0.727	S	S	*	*			trans	-149.7	164.1	141.6	-92.7	0	0	0	0	112.1	E330	S190-E330 WeakPolarHBondContact CB-O 3.32Å
191	P	31.6	Very low	30.4	Very low	119 Å²	119	115.5 Å²	115.5	77%	0.773	73%	0.729	S	S	*	*			trans	-113.8	116.3	-155.9	36.6	-25.7	0	0	0	115.5
192	C	30	Very low	29.6	Very low	142 Å²	142	116.6 Å²	116.6	96%	0.959	73%	0.732	S	S	*	*	S	Bend	trans	-148.6	95.4	155.1	-107.8	0	0	0	0	110.5
193	G	29.5	Very low	29.3	Very low	68 Å²	68	114.1 Å²	114.1	70%	0.701	73%	0.728	S	S	*	*	S	Bend	trans	129.8	133.9	-179.3	0	0	0	0	0	112.6	L195	G193-L195 PolarHBondContact O-N 3.04Å
194	D	25.4	Very low	29.2	Very low	129 Å²	129	110.7 Å²	110.7	69%	0.69	72%	0.716	S	S	*	*			trans	-70.4	87.6	-175.1	-80.9	-43.7	0	0	0	112.5	S196	D194-S196 PolarHBondContact O-N 3.42Å
195	L	28	Very low	29.2	Very low	181 Å²	181	110.1 Å²	110.1	95%	0.948	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	42.8	163.9	-80.6	168.1	0	0	0	112.5	G193	G193-L195 PolarHBondContact O-N 3.04Å
196	S	24.2	Very low	29.6	Very low	57 Å²	57	111.6 Å²	111.6	40%	0.399	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.9	28.4	178.5	78.7	0	0	0	0	113.9	D194 F887	D194-S196 PolarHBondContact O-N 3.42Å; S196-F887 WeakPolarHBondContact OG-CZ 3.47Å
197	V	28.4	Very low	30.1	Very low	91 Å²	91	109.6 Å²	109.6	55%	0.552	68%	0.676	S	S	*	*			trans	-127.3	110.8	167	-171.6	0	0	0	0	109.6	N199	V197-N199 VanDerWaalsContact CG1-OD1 3.29Å; V197-N199 WeakPolarHBondContact CG1-OD1 3.47Å; V197-N199 PolarHBondContact O-N 3.23Å
198	R	23.1	Very low	30.6	Very low	248 Å²	248	111.2 Å²	111.2	94%	0.936	68%	0.683	S	S	*	*			trans	-70.3	102.9	154.6	-86.9	-174.8	168.7	-168.9	-5.4	106.5	S200	R198-S200 PolarHBondContact O-N 3.12Å
199	N	29.8	Very low	31.9	Very low	137 Å²	137	106 Å²	106	73%	0.733	65%	0.649	S	S	*	*			trans	-65.2	107.1	172.4	-88.9	-5	0	0	0	109.3	V197 G201	V197-N199 VanDerWaalsContact CG1-OD1 3.29Å; V197-N199 WeakPolarHBondContact CG1-OD1 3.47Å; V197-N199 PolarHBondContact O-N 3.23Å; N199-G201 PolarHBondContact O-N 2.98Å; N199-G201 VanDerWaalsContact O-N 3.09Å
200	S	25.2	Very low	32.6	Very low	124 Å²	124	106.7 Å²	106.7	87%	0.867	64%	0.643	S	S	*	*			trans	-76.4	87.4	170.2	53.5	0	0	0	0	109.1	R198	R198-S200 PolarHBondContact O-N 3.12Å
201	G	24.4	Very low	33	Very low	51 Å²	51	111.3 Å²	111.3	53%	0.526	65%	0.654	S	S	.	*	S	Bend	trans	81.8	152.9	-169.2	0	0	0	0	0	112.4	N199	N199-G201 PolarHBondContact O-N 2.98Å; N199-G201 VanDerWaalsContact O-N 3.09Å
202	V	31.2	Very low	33.4	Very low	130 Å²	130	107.6 Å²	107.6	79%	0.788	63%	0.632	S	S	*	*			cis	-126	116.7	3.1	175.3	0	0	0	0	108.8	N204	V202-N204 PolarHBondContact O-N 3.47Å
203	S	29.6	Very low	33.8	Very low	110 Å²	110	107.9 Å²	107.9	77%	0.769	62%	0.617	S	S	*	*			trans	-66.6	118.3	154.9	48.9	0	0	0	0	107	P205	S203-P205 VanDerWaalsContact O-CD 3.27Å; S203-P205 WeakPolarHBondContact O-CD 3.2Å; S203-P205 VanDerWaalsContact O-N 3.11Å
204	N	36.9	Very low	34	Very low	69 Å²	69	110.8 Å²	110.8	37%	0.369	61%	0.611	S	S	.	*			trans	-63.7	113	-179	-166.2	10.6	0	0	0	108.4	S167 V202 H206 T207	S167-N204 PolarHBondContact O-ND2 3.06Å; V202-N204 PolarHBondContact O-N 3.47Å; N204-H206 PolarHBondContact O-N 3.04Å; N204-T207 PolarHBondContact O-N 2.96Å
205	P	34.2	Very low	34	Very low	101 Å²	101	111.2 Å²	111.2	66%	0.656	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	9.8	-166.6	31.1	-36.3	0	0	0	113.9	S203	S203-P205 VanDerWaalsContact O-CD 3.27Å; S203-P205 WeakPolarHBondContact O-CD 3.2Å; S203-P205 VanDerWaalsContact O-N 3.11Å
206	H	37.9	Very low	34.2	Very low	132 Å²	132	106 Å²	106	61%	0.611	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-2.4	-179.8	-55.3	-66.2	0	0	0	113	N204 T208	N204-H206 PolarHBondContact O-N 3.04Å; H206-T208 VanDerWaalsContact C-N 3.34Å; H206-T208 PolarHBondContact O-N 3.25Å; H206-T208 VanDerWaalsContact O-N 3.14Å
207	T	41.2	Very low	34.9	Very low	47 Å²	47	105 Å²	105	29%	0.288	60%	0.604	S	S	.	*			trans	-87.8	73.2	177.6	-47.3	0	0	0	0	110.3	N204 I209	N204-T207 PolarHBondContact O-N 2.96Å; T207-I209 VanDerWaalsContact C-N 3.33Å; T207-I209 HydrophobicContact CG2-CD1 4.37Å; T207-I209 HydrophobicContact CG2-CG1 4Å; T207-I209 PolarHBondContact O-N 2.8Å
208	T	44.1	Very low	35.9	Very low	106 Å²	106	106.6 Å²	106.6	65%	0.65	60%	0.604	S	S	*	*			trans	-76.9	83.1	175.9	-49.4	0	0	0	0	110.1	H206	H206-T208 VanDerWaalsContact C-N 3.34Å; H206-T208 PolarHBondContact O-N 3.25Å; H206-T208 VanDerWaalsContact O-N 3.14Å
209	I	54.5	Low	37.9	Very low	36 Å²	36	99.3 Å²	99.3	19%	0.185	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-68.5	137.4	170.2	-57.1	-177.1	0	0	0	108.3	L174 A178 T207 Q211	L174-I209 HydrophobicContact CD1-CD1 4.19Å; L174-I209 HydrophobicContact CD1-CG1 4.48Å; A178-I209 HydrophobicContact CB-CG2 4.37Å; T207-I209 VanDerWaalsContact C-N 3.33Å; T207-I209 HydrophobicContact CG2-CD1 4.37Å; T207-I209 HydrophobicContact CG2-CG1 4Å; T207-I209 PolarHBondContact O-N 2.8Å; I209-Q211 PolarHBondContact O-N 3.47Å; I209-Q211 VanDerWaalsContact O-N 3.11Å
210	P	43.3	Very low	40.4	Very low	73 Å²	73	93.4 Å²	93.4	47%	0.474	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-58	117.6	172.2	24.8	-35	0	0	0	109.7	Y262	P210-Y262 VanDerWaalsContact CD-CE1 3.49Å
211	Q	40.6	Very low	43.6	Very low	186 Å²	186	87.7 Å²	87.7	87%	0.869	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-75.4	141.2	166.2	-62.2	-176.1	24.2	0	0	108	I209 K213	I209-Q211 PolarHBondContact O-N 3.47Å; I209-Q211 VanDerWaalsContact O-N 3.11Å; Q211-K213 PolarHBondContact O-N 2.99Å
212	S	40	Very low	46.7	Very low	42 Å²	42	87.6 Å²	87.6	29%	0.294	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.1	-175.1	54.8	0	0	0	0	111.8	H214 S217	S212-H214 WeakPolarHBondContact CB-O 3.16Å; S212-H214 CarbonylContact O-C 3.55Å; S212-H214 PolarHBondContact O-N 3.11Å; S212-H214 PolarHBondContact OG-O 3.12Å; S212-S217 WeakPolarHBondContact CB-O 3.41Å
213	K	37.2	Very low	49.7	Very low	148 Å²	148	82.7 Å²	82.7	64%	0.643	47%	0.473	S	S	*	.	S	Bend	trans	-60.7	-14.4	-178.1	-65.8	-161.8	-179.9	-161.3	0	114.4	Q211 E396	Q211-K213 PolarHBondContact O-N 2.99Å; K213-E396 WeakPolarHBondContact CE-OE2 3.38Å; K213-E396 IonicContact NZ-OE1 2.65Å; K213-E396 PolarHBondContact NZ-OE1 3.34Å; K213-E396 IonicContact NZ-OE2 3.34Å; K213-E396 PolarHBondContact NZ-OE2 2.93Å
214	H	33.9	Very low	52.6	Low	128 Å²	128	78.6 Å²	78.6	59%	0.593	45%	0.445	S	S	*	.	S	Bend	trans	-121.1	139.8	163.6	-49.8	-58.8	0	0	0	110.6	S212 G216 S217	S212-H214 WeakPolarHBondContact CB-O 3.16Å; S212-H214 CarbonylContact O-C 3.55Å; S212-H214 PolarHBondContact O-N 3.11Å; S212-H214 PolarHBondContact OG-O 3.12Å; H214-G216 VanDerWaalsContact C-N 3.35Å; H214-G216 PolarHBondContact O-N 3Å; H214-S217 WeakPolarHBondContact CB-OG 3.34Å; H214-S217 PolarHBondContact N-OG 3.3Å; H214-S217 PolarHBondContact O-N 2.98Å; H214-S217 PolarHBondContact O-OG 3.13Å
215	P	27	Very low	55.3	Low	139 Å²	139	75.5 Å²	75.5	90%	0.903	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	93.9	169	28.6	-33.1	0	0	0	109.3
216	G	32.4	Very low	58.3	Low	71 Å²	71	70.7 Å²	70.7	73%	0.732	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.9	-11.8	-177.9	0	0	0	0	0	115.5	H214 F218	H214-G216 VanDerWaalsContact C-N 3.35Å; H214-G216 PolarHBondContact O-N 3Å; G216-F218 PolarHBondContact O-N 3.37Å
217	S	38	Very low	61.1	Low	35 Å²	35	65.2 Å²	65.2	25%	0.245	37%	0.371	C	S	.	.			trans	-98.7	77	179	66.9	0	0	0	0	111.7	S212 H214 D219	S212-S217 WeakPolarHBondContact CB-O 3.41Å; H214-S217 WeakPolarHBondContact CB-OG 3.34Å; H214-S217 PolarHBondContact N-OG 3.3Å; H214-S217 PolarHBondContact O-N 2.98Å; H214-S217 PolarHBondContact O-OG 3.13Å; S217-D219 PolarHBondContact O-N 3.28Å
218	F	48.8	Very low	63.6	Low	125 Å²	125	65.9 Å²	65.9	55%	0.548	37%	0.37	S	S	.	.			trans	-73.1	68.5	-175.2	-110.3	-77.7	0	0	0	113.7	A178 L180 G216 G220	A178-F218 WeakPolarHBondContact O-CE1 3.48Å; L180-F218 WeakPolarHBondContact O-CZ 3.31Å; G216-F218 PolarHBondContact O-N 3.37Å; F218-G220 PolarHBondContact O-N 3.36Å
219	D	65.1	Low	66.1	Low	96 Å²	96	60.8 Å²	60.8	51%	0.513	34%	0.339	S	S	.	.			trans	-72.5	107.5	162.4	-63.5	-53.8	0	0	0	108.4	S217 N353	S217-D219 PolarHBondContact O-N 3.28Å; D219-N353 PolarHBondContact OD1-ND2 3.17Å
220	G	83.7	Confident	68.2	Low	13 Å²	13	59.1 Å²	59.1	13%	0.134	33%	0.331	C	S	.	.			trans	-77.3	-130.7	-176.7	0	0	0	0	0	113.4	F218	F218-G220 PolarHBondContact O-N 3.36Å
221	L	90.6	Very high	70.7	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.016	32%	0.317	C	S	.	.	S	Bend	trans	-65.8	130.4	175.2	-66.6	179.6	0	0	0	110.1	L174 A178 Y179 Y225 I226 Y262 R354	L174-L221 HydrophobicContact CD1-CD2 4.35Å; L174-L221 HydrophobicContact CD2-CD1 4.38Å; L174-L221 HydrophobicContact CD2-CD2 4.21Å; L174-L221 HydrophobicContact CG-CD1 4.42Å; L174-L221 HydrophobicContact CG-CD2 4.15Å; A178-L221 HydrophobicContact CB-CD2 4Å; A178-L221 HydrophobicContact CB-CG 4.11Å; Y179-L221 HydrophobicContact CE2-CG 4.27Å; Y179-L221 PolarHBondContact OH-N 3.23Å; L221-Y225 HydrophobicContact CD1-CE1 4.4Å; L221-Y225 HydrophobicContact CD2-CD1 4.15Å; L221-Y225 HydrophobicContact CD2-CE1 4.16Å; L221-I226 HydrophobicContact CB-CD1 3.87Å; L221-I226 HydrophobicContact CB-CG1 3.91Å; L221-I226 WeakPolarHBondContact O-CD1 3.49Å; L221-Y262 HydrophobicContact CD2-CD2 4.47Å; L221-Y262 HydrophobicContact CD2-CE2 4.19Å; L221-R354 PolarHBondContact O-NH1 3.35Å; L221-R354 PolarHBondContact O-NH2 2.53Å
222	P	91.5	Very high	73.4	Confident	49 Å²	49	49.9 Å²	49.9	32%	0.318	29%	0.287	S	S	.	.			trans	-74.8	147.5	-179.7	29	-32.8	0	0	0	110.7	S224 Y225 I226	P222-S224 VanDerWaalsContact C-N 3.3Å; P222-S224 PolarHBondContact O-N 3.17Å; P222-Y225 WeakPolarHBondContact O-CB 3.34Å; P222-Y225 PolarHBondContact O-N 3.32Å; P222-Y225 VanDerWaalsContact O-N 3.12Å; P222-I226 WeakPolarHBondContact O-CG1 3.31Å; P222-I226 PolarHBondContact O-N 3.24Å; P222-I226 VanDerWaalsContact O-N 3.13Å
223	E	93	Very high	76.1	Confident	27 Å²	27	47.9 Å²	47.9	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-36	-175.4	-72.8	-166.4	-160.4	0	0	113	Y225 I226 R227 L321 R354 S355 W384	E223-Y225 VanDerWaalsContact C-N 3.26Å; E223-Y225 PolarHBondContact O-N 3.21Å; E223-I226 PolarHBondContact O-N 2.95Å; E223-R227 WeakPolarHBondContact O-CB 3.45Å; E223-R227 WeakPolarHBondContact O-CG 3.25Å; E223-R227 PolarHBondContact O-N 3.1Å; E223-L321 HydrophobicContact CG-CD2 3.83Å; E223-R354 WeakPolarHBondContact OE1-CA 3.37Å; E223-R354 WeakPolarHBondContact OE1-CB 3.14Å; E223-R354 WeakPolarHBondContact OE1-CD 3.37Å; E223-S355 PolarHBondContact OE1-N 3.33Å; E223-S355 WeakPolarHBondContact OE2-CB 3.29Å; E223-S355 PolarHBondContact OE2-OG 3.07Å; E223-W384 HydrophobicContact CG-CZ2 4.41Å; E223-W384 PolarHBondContact OE2-NE1 3.01Å
224	S	91.4	Very high	79	Confident	25 Å²	25	40.9 Å²	40.9	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-54.2	-41.6	174.9	48.6	0	0	0	0	112.8	P222 Q228	P222-S224 VanDerWaalsContact C-N 3.3Å; P222-S224 PolarHBondContact O-N 3.17Å; S224-Q228 WeakPolarHBondContact O-CG 3.32Å; S224-Q228 PolarHBondContact O-N 2.82Å
225	Y	93.9	Very high	82	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-46.3	176	-179.6	-100	0	0	0	111.9	L174 L221 P222 E223 R227 Q228 L229 L258 Y262 P263 S264 T265	L174-Y225 HydrophobicContact CD2-CE1 3.74Å; L174-Y225 WeakPolarHBondContact CD2-OH 3.38Å; L221-Y225 HydrophobicContact CD1-CE1 4.4Å; L221-Y225 HydrophobicContact CD2-CD1 4.15Å; L221-Y225 HydrophobicContact CD2-CE1 4.16Å; P222-Y225 WeakPolarHBondContact O-CB 3.34Å; P222-Y225 PolarHBondContact O-N 3.32Å; P222-Y225 VanDerWaalsContact O-N 3.12Å; E223-Y225 VanDerWaalsContact C-N 3.26Å; E223-Y225 PolarHBondContact O-N 3.21Å; Y225-R227 VanDerWaalsContact C-N 3.32Å; Y225-R227 PolarHBondContact O-N 3.13Å; Y225-Q228 PolarHBondContact O-N 3.49Å; Y225-L229 HydrophobicContact CD1-CD1 3.95Å; Y225-L229 HydrophobicContact CD1-CG 4.44Å; Y225-L229 HydrophobicContact CE1-CD1 3.42Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.42Å; Y225-L229 HydrophobicContact CE1-CG 4.06Å; Y225-L229 PolarHBondContact O-N 3.3Å; Y225-L258 WeakPolarHBondContact OH-CD1 3.33Å; Y225-Y262 HydrophobicContact CD1-CE2 4.19Å; Y225-Y262 HydrophobicContact CD2-CD2 4.4Å; Y225-Y262 HydrophobicContact CD2-CE2 4.01Å; Y225-Y262 AromaticContact CE1-CD2 4Å; Y225-Y262 HydrophobicContact CE1-CD2 4Å; Y225-Y262 HydrophobicContact CE1-CE2 4.09Å; Y225-Y262 AromaticContact CE2-CD2 3.84Å; Y225-Y262 HydrophobicContact CE2-CD2 3.84Å; Y225-Y262 AromaticContact CE2-CE2 3.92Å; Y225-Y262 HydrophobicContact CE2-CE2 3.92Å; Y225-Y262 HydrophobicContact CG-CE2 4.17Å; Y225-Y262 AromaticContact CZ-CD2 3.64Å; Y225-Y262 AromaticContact CZ-CE2 3.99Å; Y225-P263 WeakPolarHBondContact CE2-O 3.5Å; Y225-S264 VanDerWaalsContact CE2-O 3.32Å; Y225-S264 WeakPolarHBondContact CE2-O 3.34Å; Y225-S264 PolarHBondContact OH-O 2.95Å; Y225-T265 HydrophobicContact CD2-CG2 3.35Å; Y225-T265 HydrophobicContact CE2-CG2 3.29Å; Y225-T265 HydrophobicContact CG-CG2 4.25Å
226	I	96	Very high	85.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-41.5	178.4	-61.9	167.8	0	0	0	110.9	L221 P222 E223 L229 L230 L320 L321 W384	L221-I226 HydrophobicContact CB-CD1 3.87Å; L221-I226 HydrophobicContact CB-CG1 3.91Å; L221-I226 WeakPolarHBondContact O-CD1 3.49Å; P222-I226 WeakPolarHBondContact O-CG1 3.31Å; P222-I226 PolarHBondContact O-N 3.24Å; P222-I226 VanDerWaalsContact O-N 3.13Å; E223-I226 PolarHBondContact O-N 2.95Å; I226-L229 PolarHBondContact O-N 3.18Å; I226-L230 HydrophobicContact CG2-CD1 3.82Å; I226-L230 HydrophobicContact CG2-CG 4.36Å; I226-L230 WeakPolarHBondContact O-CB 3.27Å; I226-L230 VanDerWaalsContact O-CG 3.32Å; I226-L230 WeakPolarHBondContact O-CG 3.27Å; I226-L230 PolarHBondContact O-N 2.97Å; I226-L320 HydrophobicContact CD1-CB 4.41Å; I226-L320 WeakPolarHBondContact CD1-O 3.37Å; I226-L320 HydrophobicContact CG1-CB 4.33Å; I226-L320 HydrophobicContact CG2-CB 3.99Å; I226-L320 HydrophobicContact CG2-CD1 4.13Å; I226-L321 HydrophobicContact CD1-CD2 3.52Å; I226-L321 HydrophobicContact CD1-CG 3.95Å; I226-W384 HydrophobicContact CG2-CH2 3.93Å
227	R	95.8	Very high	88.5	Confident	17 Å²	17	28.5 Å²	28.5	6%	0.064	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-44.8	177	-70.8	-168.4	-66.8	119.9	-13.9	112.1	E223 Y225 L230 T231 W384 L385 Q387	E223-R227 WeakPolarHBondContact O-CB 3.45Å; E223-R227 WeakPolarHBondContact O-CG 3.25Å; E223-R227 PolarHBondContact O-N 3.1Å; Y225-R227 VanDerWaalsContact C-N 3.32Å; Y225-R227 PolarHBondContact O-N 3.13Å; R227-L230 PolarHBondContact O-N 3.38Å; R227-T231 PolarHBondContact O-N 3.38Å; R227-T231 PolarHBondContact O-OG1 3.32Å; R227-W384 WeakPolarHBondContact CD-O 3.45Å; R227-W384 HydrophobicContact CG-CD2 3.93Å; R227-W384 HydrophobicContact CG-CE3 4.37Å; R227-W384 HydrophobicContact CG-CG 4.42Å; R227-W384 HydrophobicContact CG-CH2 4.28Å; R227-W384 HydrophobicContact CG-CZ2 3.81Å; R227-L385 HydrophobicContact CB-CD2 3.91Å; R227-L385 HydrophobicContact CG-CD2 3.81Å; R227-Q387 PolarHBondContact NH1-O 3.36Å
228	Q	94.8	Very high	91.3	Very high	61 Å²	61	27.4 Å²	27.4	29%	0.285	15%	0.146	S	C	.	.	H	α-helix	trans	-60.2	-47.1	175.2	-75.1	-179.8	30.7	0	0	112.1	S224 Y225 L230 T231 S232 T265 F389	S224-Q228 WeakPolarHBondContact O-CG 3.32Å; S224-Q228 PolarHBondContact O-N 2.82Å; Y225-Q228 PolarHBondContact O-N 3.49Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; Q228-L230 PolarHBondContact O-N 3.06Å; Q228-T231 PolarHBondContact O-N 3.37Å; Q228-S232 PolarHBondContact O-N 3.13Å; Q228-T265 HydrophobicContact CB-CG2 3.76Å; Q228-T265 PolarHBondContact OE1-OG1 3.35Å; Q228-F389 HydrophobicContact CG-CD1 3.94Å; Q228-F389 HydrophobicContact CG-CE1 3.79Å
229	L	96.8	Very high	93.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-48.9	174.5	-71.2	178.7	0	0	0	111.5	L171 Y225 I226 T231 S232 I233 L258 T265 V267	L171-L229 HydrophobicContact CD1-CD1 4.21Å; L171-L229 HydrophobicContact CD2-CD1 3.76Å; L171-L229 HydrophobicContact CD2-CD2 4.26Å; Y225-L229 HydrophobicContact CD1-CD1 3.95Å; Y225-L229 HydrophobicContact CD1-CG 4.44Å; Y225-L229 HydrophobicContact CE1-CD1 3.42Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.42Å; Y225-L229 HydrophobicContact CE1-CG 4.06Å; Y225-L229 PolarHBondContact O-N 3.3Å; I226-L229 PolarHBondContact O-N 3.18Å; L229-T231 PolarHBondContact O-N 3.1Å; L229-S232 PolarHBondContact O-N 2.81Å; L229-I233 HydrophobicContact CB-CD1 4.38Å; L229-I233 WeakPolarHBondContact O-CB 3.19Å; L229-I233 WeakPolarHBondContact O-CD1 3.27Å; L229-I233 WeakPolarHBondContact O-CG1 3.45Å; L229-I233 PolarHBondContact O-N 2.8Å; L229-L258 HydrophobicContact CD2-CD2 3.81Å; L229-T265 HydrophobicContact CD2-CG2 4.27Å; L229-T265 HydrophobicContact CG-CG2 4.35Å; L229-V267 HydrophobicContact CD2-CB 3.87Å; L229-V267 HydrophobicContact CD2-CG1 3.92Å
230	L	97.7	Very high	95	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-37.3	-177.8	-73.2	172.4	0	0	0	112.2	I226 R227 Q228 I233 L234 V313 T317 L320 F361 W384 L385	I226-L230 HydrophobicContact CG2-CD1 3.82Å; I226-L230 HydrophobicContact CG2-CG 4.36Å; I226-L230 WeakPolarHBondContact O-CB 3.27Å; I226-L230 VanDerWaalsContact O-CG 3.32Å; I226-L230 WeakPolarHBondContact O-CG 3.27Å; I226-L230 PolarHBondContact O-N 2.97Å; R227-L230 PolarHBondContact O-N 3.38Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; Q228-L230 PolarHBondContact O-N 3.06Å; L230-I233 HydrophobicContact CD2-CD1 4.36Å; L230-I233 PolarHBondContact O-N 2.63Å; L230-L234 VanDerWaalsContact O-CB 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CD1 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 3.16Å; L230-V313 HydrophobicContact CD2-CG1 4.31Å; L230-T317 HydrophobicContact CD1-CG2 3.8Å; L230-L320 HydrophobicContact CD2-CD1 4.37Å; L230-F361 HydrophobicContact CD1-CE1 4.26Å; L230-W384 HydrophobicContact CD1-CH2 3.75Å; L230-W384 HydrophobicContact CD1-CZ3 3.47Å; L230-W384 VanDerWaalsContact CD1-CZ3 3.47Å; L230-L385 HydrophobicContact CB-CD2 4.39Å
231	T	97	Very high	95.6	Very high	31 Å²	31	16.8 Å²	16.8	19%	0.19	9%	0.091	C	C	.	.	H	α-helix	trans	-55.8	-53.5	172.1	-64.1	0	0	0	0	111.1	R227 Q228 L229 I233 L234 E235 L380	R227-T231 PolarHBondContact O-N 3.38Å; R227-T231 PolarHBondContact O-OG1 3.32Å; Q228-T231 PolarHBondContact O-N 3.37Å; L229-T231 PolarHBondContact O-N 3.1Å; T231-I233 VanDerWaalsContact C-N 3.33Å; T231-I233 PolarHBondContact O-N 2.73Å; T231-L234 PolarHBondContact O-N 3Å; T231-E235 WeakPolarHBondContact O-CG 3.29Å; T231-E235 PolarHBondContact O-N 2.9Å; T231-L380 HydrophobicContact CG2-CD2 3.99Å
232	S	96	Very high	95.8	Very high	34 Å²	34	20.9 Å²	20.9	24%	0.238	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-36	179.5	-59.6	0	0	0	0	113.3	S144 Q228 L229 A236	S144-S232 WeakPolarHBondContact CB-O 3.09Å; S144-S232 PolarHBondContact OG-O 2.74Å; Q228-S232 PolarHBondContact O-N 3.13Å; L229-S232 PolarHBondContact O-N 2.81Å; S232-A236 PolarHBondContact O-N 2.86Å
233	I	98.2	Very high	95.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-44.3	174.5	-70.1	161.7	0	0	0	111	L171 L229 L230 T231 A236 L237 L256 V267 F269 L316	L171-I233 HydrophobicContact CD1-CD1 4.33Å; L229-I233 HydrophobicContact CB-CD1 4.38Å; L229-I233 WeakPolarHBondContact O-CB 3.19Å; L229-I233 WeakPolarHBondContact O-CD1 3.27Å; L229-I233 WeakPolarHBondContact O-CG1 3.45Å; L229-I233 PolarHBondContact O-N 2.8Å; L230-I233 HydrophobicContact CD2-CD1 4.36Å; L230-I233 PolarHBondContact O-N 2.63Å; T231-I233 VanDerWaalsContact C-N 3.33Å; T231-I233 PolarHBondContact O-N 2.73Å; I233-A236 PolarHBondContact O-N 3.03Å; I233-L237 HydrophobicContact CG2-CD1 4.22Å; I233-L237 WeakPolarHBondContact O-CG 3.33Å; I233-L237 PolarHBondContact O-N 3.16Å; I233-L256 HydrophobicContact CD1-CD1 3.75Å; I233-L256 HydrophobicContact CD1-CD2 4.41Å; I233-L256 HydrophobicContact CG1-CD1 4.24Å; I233-L256 HydrophobicContact CG1-CD2 4.04Å; I233-V267 HydrophobicContact CD1-CG1 4.39Å; I233-V267 HydrophobicContact CG1-CG1 3.91Å; I233-V267 HydrophobicContact CG1-CG2 4.47Å; I233-F269 HydrophobicContact CG2-CE2 3.98Å; I233-F269 HydrophobicContact CG2-CZ 3.83Å; I233-L316 HydrophobicContact CD1-CD2 4.19Å
234	L	98.3	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.9	-35.4	-179.2	-70.7	165.9	0	0	0	112.4	L230 T231 A236 L237 V238 M310 V313 F361 A376 C379 L380 L385	L230-L234 VanDerWaalsContact O-CB 3.27Å; L230-L234 WeakPolarHBondContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CD1 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 3.16Å; T231-L234 PolarHBondContact O-N 3Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.35Å; L234-L237 PolarHBondContact O-N 3.26Å; L234-V238 WeakPolarHBondContact O-CG2 3.48Å; L234-V238 PolarHBondContact O-N 3.1Å; L234-M310 HydrophobicContact CD2-CE 3.81Å; L234-V313 HydrophobicContact CD2-CG1 4.28Å; L234-F361 HydrophobicContact CD1-CZ 4.21Å; L234-A376 HydrophobicContact CD2-CB 4.05Å; L234-C379 HydrophobicContact CD1-CB 3.55Å; L234-C379 HydrophobicContact CD2-CB 3.64Å; L234-C379 HydrophobicContact CG-CB 4.23Å; L234-L380 HydrophobicContact CB-CD1 4.34Å; L234-L380 HydrophobicContact CB-CD2 3.71Å; L234-L380 HydrophobicContact CB-CG 3.79Å; L234-L380 HydrophobicContact CD1-CD2 4.2Å; L234-L380 HydrophobicContact CD1-CG 4.39Å; L234-L385 HydrophobicContact CD1-CD1 3.41Å; L234-L385 VanDerWaalsContact CD1-CD1 3.41Å
235	E	96.4	Very high	96.1	Very high	79 Å²	79	23.8 Å²	23.8	37%	0.369	12%	0.121	S	C	.	.	H	α-helix	trans	-60.9	-42	172.7	-73.6	-179.1	143.1	0	0	112	P142 T231 V238 Y239 L380	P142-E235 HydrophobicContact CB-CB 4.47Å; P142-E235 HydrophobicContact CG-CB 4.48Å; T231-E235 WeakPolarHBondContact O-CG 3.29Å; T231-E235 PolarHBondContact O-N 2.9Å; E235-V238 PolarHBondContact O-N 3.49Å; E235-Y239 PolarHBondContact O-N 3.3Å; E235-L380 HydrophobicContact CG-CD1 4.11Å; E235-L380 HydrophobicContact CG-CD2 4.25Å
236	A	97.1	Very high	96.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-43.5	172.5	0	0	0	0	0	112.2	P142 S144 A145 S232 I233 L234 Y239 M240 F269	P142-A236 HydrophobicContact CG-CB 4.39Å; S144-A236 WeakPolarHBondContact OG-CB 3.48Å; A145-A236 HydrophobicContact CB-CB 4.29Å; S232-A236 PolarHBondContact O-N 2.86Å; I233-A236 PolarHBondContact O-N 3.03Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.35Å; A236-Y239 WeakPolarHBondContact O-CB 3.49Å; A236-Y239 PolarHBondContact O-N 2.88Å; A236-M240 WeakPolarHBondContact O-CG 3.04Å; A236-M240 PolarHBondContact O-N 2.78Å; A236-F269 HydrophobicContact CB-CD2 3.75Å; A236-F269 HydrophobicContact CB-CE2 3.76Å
237	L	98	Very high	96.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-37.8	176.9	-71	172.6	0	0	0	112.6	I233 L234 Y239 M240 H241 V251 F269 D309 M310 V313 A376	I233-L237 HydrophobicContact CG2-CD1 4.22Å; I233-L237 WeakPolarHBondContact O-CG 3.33Å; I233-L237 PolarHBondContact O-N 3.16Å; L234-L237 PolarHBondContact O-N 3.26Å; L237-Y239 VanDerWaalsContact C-N 3.31Å; L237-Y239 PolarHBondContact O-N 3.05Å; L237-M240 HydrophobicContact CD2-SD 4.19Å; L237-M240 PolarHBondContact O-N 3.19Å; L237-H241 VanDerWaalsContact O-CB 3.25Å; L237-H241 WeakPolarHBondContact O-CB 3.46Å; L237-H241 PolarHBondContact O-CD2 3.27Å; L237-H241 PolarHBondContact O-N 3.46Å; L237-V251 HydrophobicContact CD2-CG2 4.49Å; L237-F269 HydrophobicContact CD1-CZ 4.13Å; L237-F269 HydrophobicContact CD2-CE1 4.36Å; L237-F269 HydrophobicContact CD2-CE2 4.35Å; L237-F269 HydrophobicContact CD2-CZ 3.77Å; L237-F269 HydrophobicContact CG-CE2 4.1Å; L237-F269 HydrophobicContact CG-CZ 3.76Å; L237-D309 HydrophobicContact CD2-CB 4.29Å; L237-M310 HydrophobicContact CD1-SD 4.39Å; L237-V313 HydrophobicContact CD1-CG2 3.4Å; L237-A376 HydrophobicContact CB-CB 3.84Å
238	V	97	Very high	96.2	Very high	12 Å²	12	23 Å²	23	7%	0.073	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-44.5	170.5	167.9	0	0	0	0	110.6	L234 E235 H241 D242 A376 K377 L380	L234-V238 WeakPolarHBondContact O-CG2 3.48Å; L234-V238 PolarHBondContact O-N 3.1Å; E235-V238 PolarHBondContact O-N 3.49Å; V238-H241 PolarHBondContact O-N 3.22Å; V238-D242 WeakPolarHBondContact O-CB 3.24Å; V238-D242 PolarHBondContact O-N 2.8Å; V238-A376 HydrophobicContact CG2-CB 3.65Å; V238-K377 HydrophobicContact CG2-CB 4.02Å; V238-L380 HydrophobicContact CG2-CD1 3.95Å
239	Y	95.7	Very high	96.2	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.02	11%	0.108	C	C	.	.	I	π-helix	trans	-63.5	-43	176.8	-170.1	-96.8	0	0	0	112.3	L112 H116 P141 E235 A236 L237 T243 L244	L112-Y239 HydrophobicContact CD2-CD1 4.15Å; L112-Y239 HydrophobicContact CD2-CE1 4.42Å; H116-Y239 PolarHBondContact CD2-OH 2.79Å; H116-Y239 PolarHBondContact NE2-OH 2.86Å; P141-Y239 HydrophobicContact CB-CD1 4.35Å; P141-Y239 HydrophobicContact CB-CE1 3.8Å; P141-Y239 HydrophobicContact CB-CE2 4.34Å; P141-Y239 HydrophobicContact CG-CE1 4.19Å; P141-Y239 HydrophobicContact CG-CE2 4.49Å; P141-Y239 WeakPolarHBondContact CG-OH 3.49Å; E235-Y239 PolarHBondContact O-N 3.3Å; A236-Y239 WeakPolarHBondContact O-CB 3.49Å; A236-Y239 PolarHBondContact O-N 2.88Å; L237-Y239 VanDerWaalsContact C-N 3.31Å; L237-Y239 PolarHBondContact O-N 3.05Å; Y239-T243 HydrophobicContact CD2-CG2 4.31Å; Y239-T243 HydrophobicContact CE2-CG2 3.85Å; Y239-T243 WeakPolarHBondContact O-CA 3.4Å; Y239-T243 VanDerWaalsContact O-CB 3.24Å; Y239-T243 WeakPolarHBondContact O-CB 3.3Å; Y239-T243 PolarHBondContact O-N 3.12Å; Y239-L244 HydrophobicContact CD1-CD1 3.98Å; Y239-L244 HydrophobicContact CD1-CG 4.44Å; Y239-L244 HydrophobicContact CE1-CD1 3.69Å; Y239-L244 HydrophobicContact CE1-CG 4.05Å; Y239-L244 PolarHBondContact O-N 3.39Å
240	M	96.6	Very high	96.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-61.3	-50.9	174.6	-68.8	178.3	-161.9	0	0	111.8	L112 A145 A236 L237 L244 R245 M246 H248 F269 F272	L112-M240 HydrophobicContact CD1-CE 4.29Å; L112-M240 HydrophobicContact CD2-CE 4.05Å; L112-M240 HydrophobicContact CD2-CG 3.79Å; A145-M240 WeakPolarHBondContact O-CE 3.33Å; A236-M240 WeakPolarHBondContact O-CG 3.04Å; A236-M240 PolarHBondContact O-N 2.78Å; L237-M240 HydrophobicContact CD2-SD 4.19Å; L237-M240 PolarHBondContact O-N 3.19Å; M240-L244 CarbonylContact O-C 3.51Å; M240-L244 WeakPolarHBondContact O-CB 3.44Å; M240-L244 PolarHBondContact O-N 3.42Å; M240-R245 PolarHBondContact O-N 3.38Å; M240-M246 CarbonylContact C-O 3.46Å; M240-M246 HydrophobicContact CB-CB 4.38Å; M240-M246 PolarHBondContact O-N 3.43Å; M240-H248 HydrophobicContact SD-CB 4.48Å; M240-F269 HydrophobicContact CE-CB 4.11Å; M240-F269 HydrophobicContact CE-CD2 3.91Å; M240-F269 HydrophobicContact CE-CE2 4.47Å; M240-F269 HydrophobicContact CE-CG 3.93Å; M240-F272 HydrophobicContact CE-CE1 3.92Å
241	H	96.8	Very high	96.1	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.023	11%	0.113	C	C	.	.	I	π-helix	trans	-76.5	-47.5	-170	-65	-173.6	0	0	0	113.2	L237 V238 R245 M246 F306 D309	L237-H241 VanDerWaalsContact O-CB 3.25Å; L237-H241 WeakPolarHBondContact O-CB 3.46Å; L237-H241 PolarHBondContact O-CD2 3.27Å; L237-H241 PolarHBondContact O-N 3.46Å; V238-H241 PolarHBondContact O-N 3.22Å; H241-R245 PolarHBondContact O-NH1 3.18Å; H241-R245 VanDerWaalsContact O-NH1 3.17Å; H241-M246 PolarHBondContact CD2-O 3.26Å; H241-M246 VanDerWaalsContact CD2-O 3.26Å; H241-F306 HydrophobicContact CB-CB 4.3Å; H241-F306 HydrophobicContact CB-CD1 3.68Å; H241-F306 HydrophobicContact CB-CE1 4.38Å; H241-F306 HydrophobicContact CB-CG 4.16Å; H241-F306 AromaticContact CD2-CD1 3.78Å; H241-F306 PolarHBondContact CE1-O 3.22Å; H241-F306 AromaticContact CG-CD1 3.67Å; H241-D309 IonicContact CD2-OD2 3.14Å; H241-D309 IonicContact CE1-OD2 3.38Å; H241-D309 IonicContact NE2-OD2 2.64Å; H241-D309 PolarHBondContact NE2-OD2 3.43Å
242	D	94.5	Very high	96.1	Very high	89 Å²	89	21.4 Å²	21.4	48%	0.476	11%	0.109	S	C	.	.	I	π-helix	trans	-86.3	-46	-175.9	-73.5	-2.9	0	0	0	111.7	V238	V238-D242 WeakPolarHBondContact O-CB 3.24Å; V238-D242 PolarHBondContact O-N 2.8Å
243	T	92.8	Very high	96	Very high	57 Å²	57	19.8 Å²	19.8	35%	0.35	10%	0.098	S	C	.	.	I	π-helix	trans	-86.2	-45.8	-174	-48.7	0	0	0	0	112.8	Y239	Y239-T243 HydrophobicContact CD2-CG2 4.31Å; Y239-T243 HydrophobicContact CE2-CG2 3.85Å; Y239-T243 WeakPolarHBondContact O-CA 3.4Å; Y239-T243 VanDerWaalsContact O-CB 3.24Å; Y239-T243 WeakPolarHBondContact O-CB 3.3Å; Y239-T243 PolarHBondContact O-N 3.12Å
244	L	92.8	Very high	95.8	Very high	19 Å²	19	23 Å²	23	10%	0.099	11%	0.113	C	C	.	.	S	Bend	trans	-95.6	-11.6	-176.2	-76.5	172.5	0	0	0	115	L112 H116 Y239 M240 M246	L112-L244 HydrophobicContact CD2-CD1 3.36Å; L112-L244 HydrophobicContact CG-CD1 3.91Å; H116-L244 WeakPolarHBondContact NE2-CD2 3.5Å; Y239-L244 HydrophobicContact CD1-CD1 3.98Å; Y239-L244 HydrophobicContact CD1-CG 4.44Å; Y239-L244 HydrophobicContact CE1-CD1 3.69Å; Y239-L244 HydrophobicContact CE1-CG 4.05Å; Y239-L244 PolarHBondContact O-N 3.39Å; M240-L244 CarbonylContact O-C 3.51Å; M240-L244 WeakPolarHBondContact O-CB 3.44Å; M240-L244 PolarHBondContact O-N 3.42Å; L244-M246 HydrophobicContact CB-CB 3.96Å; L244-M246 HydrophobicContact CD1-CE 4.13Å; L244-M246 PolarHBondContact O-N 2.88Å
245	R	95.3	Very high	95.7	Very high	87 Å²	87	23.5 Å²	23.5	33%	0.328	12%	0.115	S	C	.	.			trans	53.6	28.6	-170.4	-46.5	-62.6	-77.5	142.5	-9.7	112.6	M240 H241 I277 L278 E280 F306	M240-R245 PolarHBondContact O-N 3.38Å; H241-R245 PolarHBondContact O-NH1 3.18Å; H241-R245 VanDerWaalsContact O-NH1 3.17Å; R245-I277 HydrophobicContact CB-CG2 4.28Å; R245-I277 CarbonylContact O-C 3.51Å; R245-I277 WeakPolarHBondContact O-CA 3.19Å; R245-L278 PolarHBondContact O-N 3.3Å; R245-E280 IonicContact CZ-OE1 3.2Å; R245-E280 IonicContact NE-OE1 3.26Å; R245-E280 IonicContact NH2-OE1 2.74Å; R245-E280 PolarHBondContact NH2-OE1 2.92Å; R245-F306 HydrophobicContact CB-CZ 4.27Å; R245-F306 VanDerWaalsContact NH1-CZ 3.28Å
246	M	95.1	Very high	95.7	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	146.9	-177.6	-171.3	-177.2	-63.4	0	0	111	A108 L112 M240 H241 L244 A275 T276 I277	A108-M246 HydrophobicContact CB-CE 3.86Å; A108-M246 HydrophobicContact CB-SD 3.98Å; L112-M246 HydrophobicContact CD1-SD 4.32Å; M240-M246 CarbonylContact C-O 3.46Å; M240-M246 HydrophobicContact CB-CB 4.38Å; M240-M246 PolarHBondContact O-N 3.43Å; H241-M246 PolarHBondContact CD2-O 3.26Å; H241-M246 VanDerWaalsContact CD2-O 3.26Å; L244-M246 HydrophobicContact CB-CB 3.96Å; L244-M246 HydrophobicContact CD1-CE 4.13Å; L244-M246 PolarHBondContact O-N 2.88Å; M246-A275 HydrophobicContact CG-CB 4.45Å; M246-A275 HydrophobicContact SD-CB 4.17Å; M246-T276 CarbonylContact C-O 3.48Å; M246-T276 WeakPolarHBondContact CA-O 3.39Å; M246-I277 HydrophobicContact CB-CG1 4.36Å; M246-I277 HydrophobicContact CE-CG1 4.28Å
247	V	96.6	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.1	165.5	-71.5	0	0	0	0	110.3	L249 A275 T276 L278 I304 F306 D309	V247-L249 HydrophobicContact CB-CD2 3.98Å; V247-L249 HydrophobicContact CB-CG 4.22Å; V247-L249 HydrophobicContact CG2-CD1 4.03Å; V247-L249 HydrophobicContact CG2-CD2 3.78Å; V247-L249 HydrophobicContact CG2-CG 3.81Å; V247-A275 VanDerWaalsContact O-CA 3.26Å; V247-A275 WeakPolarHBondContact O-CA 3.45Å; V247-T276 WeakPolarHBondContact CG2-O 3.38Å; V247-T276 PolarHBondContact N-O 3.25Å; V247-T276 PolarHBondContact O-N 2.85Å; V247-L278 HydrophobicContact CG1-CD1 3.77Å; V247-L278 HydrophobicContact CG1-CG 4.26Å; V247-L278 HydrophobicContact CG2-CD1 4.22Å; V247-L278 HydrophobicContact CG2-CD2 4.01Å; V247-L278 HydrophobicContact CG2-CG 4Å; V247-I304 HydrophobicContact CG2-CG2 4.17Å; V247-F306 HydrophobicContact CG1-CD1 3.59Å; V247-F306 HydrophobicContact CG1-CE1 4.01Å; V247-F306 HydrophobicContact CG1-CG 4.34Å; V247-D309 VanDerWaalsContact CA-OD2 3.27Å; V247-D309 WeakPolarHBondContact CA-OD2 3.29Å; V247-D309 WeakPolarHBondContact CB-OD2 3.4Å
248	H	96.1	Very high	95.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.108	C	C	.	.			trans	-89.4	-42	-174.4	-167.2	-97.9	0	0	0	113.2	M240 D250 V251 F269 T270 F272 D309	M240-H248 HydrophobicContact SD-CB 4.48Å; H248-D250 PolarHBondContact ND1-O 3.49Å; H248-D250 PolarHBondContact O-N 2.97Å; H248-D250 VanDerWaalsContact O-N 3.12Å; H248-V251 HydrophobicContact CB-CG2 3.84Å; H248-F269 AromaticContact CD2-CD1 3.99Å; H248-F269 AromaticContact NE2-CD1 3.97Å; H248-T270 PolarHBondContact CE1-O 3.24Å; H248-T270 PolarHBondContact NE2-O 3.42Å; H248-F272 AromaticContact CD2-CD1 3.59Å; H248-F272 AromaticContact CD2-CE1 3.63Å; H248-F272 AromaticContact NE2-CD1 3.68Å; H248-F272 AromaticContact NE2-CE1 3.75Å; H248-D309 PolarHBondContact N-OD1 2.83Å; H248-D309 VanDerWaalsContact N-OD1 3.16Å; H248-D309 PolarHBondContact N-OD2 3.33Å
249	L	95.7	Very high	95.5	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.068	11%	0.111	C	C	.	.	S	Bend	trans	64.7	1.9	175.5	-51	-179.5	0	0	0	117.5	V247 L274 I304 T308 D309	V247-L249 HydrophobicContact CB-CD2 3.98Å; V247-L249 HydrophobicContact CB-CG 4.22Å; V247-L249 HydrophobicContact CG2-CD1 4.03Å; V247-L249 HydrophobicContact CG2-CD2 3.78Å; V247-L249 HydrophobicContact CG2-CG 3.81Å; L249-L274 HydrophobicContact CB-CB 4.11Å; L249-I304 HydrophobicContact CD1-CD1 4.09Å; L249-I304 HydrophobicContact CD1-CG2 4.38Å; L249-I304 HydrophobicContact CD2-CG2 3.66Å; L249-T308 HydrophobicContact CD2-CG2 3.97Å; L249-D309 PolarHBondContact N-OD1 3.16Å
250	D	95.3	Very high	95.4	Very high	22 Å²	22	27.9 Å²	27.9	12%	0.118	13%	0.134	C	C	.	.			trans	-141.6	50.8	168.3	-156.7	33.1	0	0	0	110.4	H248 K252 N255 L274 T290	H248-D250 PolarHBondContact ND1-O 3.49Å; H248-D250 PolarHBondContact O-N 2.97Å; H248-D250 VanDerWaalsContact O-N 3.12Å; D250-K252 VanDerWaalsContact CG-NZ 3.34Å; D250-K252 PolarHBondContact O-N 3.5Å; D250-K252 IonicContact OD1-NZ 3.66Å; D250-K252 PolarHBondContact OD1-NZ 3.37Å; D250-K252 IonicContact OD2-NZ 2.73Å; D250-K252 PolarHBondContact OD2-NZ 2.86Å; D250-N255 VanDerWaalsContact CG-ND2 3.29Å; D250-N255 PolarHBondContact O-ND2 3.16Å; D250-N255 PolarHBondContact OD2-ND2 2.96Å; D250-L274 HydrophobicContact CB-CD1 4.23Å; D250-T290 PolarHBondContact OD1-N 3.21Å; D250-T290 PolarHBondContact OD1-OG1 3.15Å
251	V	97.4	Very high	95.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.143	C	C	.	.			trans	-73.8	112.2	175	-176.2	0	0	0	0	108.9	L237 H248 F269 Y293 D309 S312 V313	L237-V251 HydrophobicContact CD2-CG2 4.49Å; H248-V251 HydrophobicContact CB-CG2 3.84Å; V251-F269 HydrophobicContact CB-CE1 4.4Å; V251-F269 HydrophobicContact CG1-CE1 3.96Å; V251-F269 HydrophobicContact CG1-CZ 4.27Å; V251-F269 HydrophobicContact CG2-CE1 3.97Å; V251-Y293 WeakPolarHBondContact O-CD1 3.12Å; V251-D309 HydrophobicContact CG2-CB 4.06Å; V251-S312 WeakPolarHBondContact O-CB 3.49Å; V251-V313 HydrophobicContact CG1-CG2 4.19Å
252	K	95.5	Very high	94.8	Very high	22 Å²	22	29.9 Å²	29.9	10%	0.096	15%	0.145	C	C	.	.	S	Bend	trans	-161.3	168.1	-178	67.2	-171.7	-169	-144.1	0	111.8	D250 E254 N255 L256 T290 Y293	D250-K252 VanDerWaalsContact CG-NZ 3.34Å; D250-K252 PolarHBondContact O-N 3.5Å; D250-K252 IonicContact OD1-NZ 3.66Å; D250-K252 PolarHBondContact OD1-NZ 3.37Å; D250-K252 IonicContact OD2-NZ 2.73Å; D250-K252 PolarHBondContact OD2-NZ 2.86Å; K252-E254 VanDerWaalsContact C-N 3.27Å; K252-E254 WeakPolarHBondContact CD-OE2 3.45Å; K252-E254 HydrophobicContact CG-CB 4.4Å; K252-E254 VanDerWaalsContact CG-OE2 3.3Å; K252-E254 WeakPolarHBondContact CG-OE2 3.49Å; K252-E254 PolarHBondContact O-N 3.33Å; K252-N255 WeakPolarHBondContact CE-OD1 3.49Å; K252-N255 HydrophobicContact CG-CB 4.03Å; K252-N255 PolarHBondContact O-N 3.27Å; K252-N255 VanDerWaalsContact O-N 3.09Å; K252-L256 PolarHBondContact O-N 3.01Å; K252-T290 HydrophobicContact CD-CG2 4.29Å; K252-T290 VanDerWaalsContact CD-OG1 3.3Å; K252-T290 WeakPolarHBondContact CD-OG1 3.42Å; K252-T290 PolarHBondContact NZ-OG1 3.13Å; K252-Y293 HydrophobicContact CB-CD1 3.7Å; K252-Y293 HydrophobicContact CB-CD2 4Å; K252-Y293 HydrophobicContact CB-CE1 3.68Å; K252-Y293 HydrophobicContact CB-CE2 3.98Å; K252-Y293 HydrophobicContact CB-CG 3.86Å
253	A	95.7	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-63.5	-27.1	-174.6	0	0	0	0	0	114.1	L171 Y172 L316 Y319	L171-A253 HydrophobicContact CB-CB 4.21Å; L171-A253 PolarHBondContact N-O 3.18Å; L171-A253 VanDerWaalsContact N-O 3.12Å; Y172-A253 PolarHBondContact N-O 2.9Å; A253-L316 HydrophobicContact CB-CD1 3.96Å; A253-Y319 HydrophobicContact CB-CD1 3.93Å; A253-Y319 HydrophobicContact CB-CE1 3.86Å
254	E	93.5	Very high	94.6	Very high	68 Å²	68	26.9 Å²	26.9	32%	0.318	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-76	-27	175.4	-51.6	95.2	112.7	0	0	113.3	Y172 K252 L256	Y172-E254 HydrophobicContact CD2-CG 4.22Å; Y172-E254 HydrophobicContact CG-CG 3.93Å; K252-E254 VanDerWaalsContact C-N 3.27Å; K252-E254 WeakPolarHBondContact CD-OE2 3.45Å; K252-E254 HydrophobicContact CG-CB 4.4Å; K252-E254 VanDerWaalsContact CG-OE2 3.3Å; K252-E254 WeakPolarHBondContact CG-OE2 3.49Å; K252-E254 PolarHBondContact O-N 3.33Å; E254-L256 VanDerWaalsContact C-N 3.34Å
255	N	95.4	Very high	94.7	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.059	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-95.6	9.9	-178.1	-71.4	-4.1	0	0	0	112.6	D250 K252 T270	D250-N255 VanDerWaalsContact CG-ND2 3.29Å; D250-N255 PolarHBondContact O-ND2 3.16Å; D250-N255 PolarHBondContact OD2-ND2 2.96Å; K252-N255 WeakPolarHBondContact CE-OD1 3.49Å; K252-N255 HydrophobicContact CG-CB 4.03Å; K252-N255 PolarHBondContact O-N 3.27Å; K252-N255 VanDerWaalsContact O-N 3.09Å; N255-T270 PolarHBondContact O-N 3.29Å
256	L	97.6	Very high	94.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.5	174.9	-72.1	167.9	0	0	0	108.2	S170 L171 I233 K252 E254 V267 F268 F269 L316	S170-L256 WeakPolarHBondContact CA-O 3.19Å; L171-L256 HydrophobicContact CD1-CB 3.75Å; L171-L256 HydrophobicContact CD1-CD1 4.07Å; L171-L256 HydrophobicContact CG-CB 4Å; L171-L256 PolarHBondContact N-O 3.43Å; I233-L256 HydrophobicContact CD1-CD1 3.75Å; I233-L256 HydrophobicContact CD1-CD2 4.41Å; I233-L256 HydrophobicContact CG1-CD1 4.24Å; I233-L256 HydrophobicContact CG1-CD2 4.04Å; K252-L256 PolarHBondContact O-N 3.01Å; E254-L256 VanDerWaalsContact C-N 3.34Å; L256-V267 HydrophobicContact CB-CG2 4.01Å; L256-V267 HydrophobicContact CD2-CG2 4.22Å; L256-F268 WeakPolarHBondContact CA-O 3.36Å; L256-F269 HydrophobicContact CD2-CD1 3.89Å; L256-F269 HydrophobicContact CD2-CD2 4.04Å; L256-F269 HydrophobicContact CD2-CE1 3.92Å; L256-F269 HydrophobicContact CD2-CE2 4.08Å; L256-F269 HydrophobicContact CD2-CG 3.95Å; L256-F269 HydrophobicContact CD2-CZ 4.03Å; L256-L316 HydrophobicContact CD1-CD1 4.28Å; L256-L316 HydrophobicContact CD1-CD2 3.38Å; L256-L316 HydrophobicContact CD1-CG 4.48Å
257	L	97	Very high	94.7	Very high	38 Å²	38	26 Å²	26	20%	0.199	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.1	-173.3	-54.6	-174.5	0	0	0	111.2	A166 G169 V267 F268 T270	A166-L257 HydrophobicContact CB-CB 3.67Å; A166-L257 HydrophobicContact CB-CD1 3.95Å; A166-L257 HydrophobicContact CB-CG 4.41Å; G169-L257 WeakPolarHBondContact O-CA 3.35Å; L257-V267 CarbonylContact O-C 3.54Å; L257-V267 VanDerWaalsContact O-CA 3.31Å; L257-V267 WeakPolarHBondContact O-CA 3.2Å; L257-F268 HydrophobicContact CB-CE1 4.03Å; L257-F268 HydrophobicContact CB-CE2 4.03Å; L257-F268 HydrophobicContact CB-CZ 3.78Å; L257-F268 HydrophobicContact CD1-CE2 4.08Å; L257-F268 HydrophobicContact CD1-CZ 4.06Å; L257-F268 HydrophobicContact CG-CE2 4.41Å; L257-F268 HydrophobicContact CG-CZ 4.46Å; L257-F268 PolarHBondContact N-O 3Å; L257-F268 WeakPolarHBondContact O-CD1 3.34Å; L257-F268 PolarHBondContact O-N 2.89Å; L257-T270 HydrophobicContact CD1-CG2 3.85Å; L257-T270 HydrophobicContact CD2-CG2 4.39Å; L257-T270 HydrophobicContact CG-CG2 3.81Å
258	L	96.4	Very high	94.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.4	175.6	-65.7	172	0	0	0	111	A166 G168 G169 L171 L174 Y225 L229 Q260 D266 V267	A166-L258 WeakPolarHBondContact CB-O 3.43Å; G168-L258 PolarHBondContact N-O 2.73Å; G168-L258 VanDerWaalsContact N-O 3.07Å; G169-L258 PolarHBondContact O-N 3.19Å; L171-L258 HydrophobicContact CD2-CD1 3.96Å; L171-L258 HydrophobicContact CD2-CD2 3.99Å; L171-L258 HydrophobicContact CD2-CG 3.88Å; L174-L258 HydrophobicContact CD2-CD1 3.95Å; Y225-L258 WeakPolarHBondContact OH-CD1 3.33Å; L229-L258 HydrophobicContact CD2-CD2 3.81Å; L258-Q260 VanDerWaalsContact C-N 3.31Å; L258-Q260 VanDerWaalsContact CB-O 3.29Å; L258-Q260 WeakPolarHBondContact CB-O 3.22Å; L258-Q260 PolarHBondContact O-N 3.27Å; L258-D266 WeakPolarHBondContact CA-O 3.38Å; L258-V267 HydrophobicContact CD2-CB 3.88Å; L258-V267 HydrophobicContact CD2-CG2 4.35Å
259	R	93.5	Very high	94.8	Very high	38 Å²	38	26.1 Å²	26.1	14%	0.143	14%	0.136	C	C	.	.	S	Bend	trans	-59.4	-43.3	177.6	-67.9	-162.2	167.8	84.5	8.9	111.9	K143 E164 S167 D266 F268	K143-R259 PolarHBondContact O-NH1 2.7Å; K143-R259 PolarHBondContact O-NH2 3.38Å; E164-R259 IonicContact OE1-CZ 3.93Å; E164-R259 IonicContact OE1-NE 3Å; E164-R259 PolarHBondContact OE1-NE 2.78Å; E164-R259 IonicContact OE1-NH2 3.07Å; E164-R259 PolarHBondContact OE1-NH2 2.89Å; S167-R259 WeakPolarHBondContact CB-O 3.24Å; S167-R259 PolarHBondContact N-O 3.03Å; S167-R259 PolarHBondContact OG-O 2.81Å; S167-R259 VanDerWaalsContact OG-O 3.11Å; R259-D266 HydrophobicContact CB-CB 4.24Å; R259-D266 WeakPolarHBondContact CD-OD1 3.48Å; R259-D266 WeakPolarHBondContact CD-OD2 3.36Å; R259-D266 IonicContact CZ-OD1 2.65Å; R259-D266 PolarHBondContact N-O 2.79Å; R259-D266 IonicContact NE-OD1 3.99Å; R259-D266 IonicContact NH1-OD1 3.42Å; R259-D266 PolarHBondContact NH1-OD1 3.34Å; R259-F268 HydrophobicContact CG-CD1 3.67Å; R259-F268 HydrophobicContact CG-CE1 3.74Å
260	Q	93.7	Very high	94.7	Very high	109 Å²	109	26.5 Å²	26.5	51%	0.509	14%	0.14	S	C	.	.	S	Bend	trans	-121.6	162.8	175.2	-56.1	-58.3	-8.7	0	0	111.1	S167 G168 L258	S167-Q260 WeakPolarHBondContact OG-CA 3.25Å; S167-Q260 PolarHBondContact OG-OE1 3.03Å; G168-Q260 WeakPolarHBondContact CA-O 3.48Å; L258-Q260 VanDerWaalsContact C-N 3.31Å; L258-Q260 VanDerWaalsContact CB-O 3.29Å; L258-Q260 WeakPolarHBondContact CB-O 3.22Å; L258-Q260 PolarHBondContact O-N 3.27Å
261	P	91.4	Very high	94.5	Very high	28 Å²	28	27.6 Å²	27.6	18%	0.182	15%	0.145	C	C	.	.			trans	-63.9	160.9	179.2	-19.6	34.7	0	0	0	112.6	S167 S264	S167-P261 WeakPolarHBondContact OG-CD 3.48Å; P261-S264 WeakPolarHBondContact O-CB 3.31Å; P261-S264 PolarHBondContact O-N 3.4Å
262	Y	89.6	Confident	94.3	Very high	19 Å²	19	27.7 Å²	27.7	8%	0.075	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	133.9	164.4	179.1	-83	0	0	0	110.2	L174 P210 L221 Y225	L174-Y262 HydrophobicContact CD1-CD2 3.98Å; L174-Y262 HydrophobicContact CD1-CG 4.04Å; L174-Y262 HydrophobicContact CD2-CD2 4.08Å; P210-Y262 VanDerWaalsContact CD-CE1 3.49Å; L221-Y262 HydrophobicContact CD2-CD2 4.47Å; L221-Y262 HydrophobicContact CD2-CE2 4.19Å; Y225-Y262 HydrophobicContact CD1-CE2 4.19Å; Y225-Y262 HydrophobicContact CD2-CD2 4.4Å; Y225-Y262 HydrophobicContact CD2-CE2 4.01Å; Y225-Y262 AromaticContact CE1-CD2 4Å; Y225-Y262 HydrophobicContact CE1-CD2 4Å; Y225-Y262 HydrophobicContact CE1-CE2 4.09Å; Y225-Y262 AromaticContact CE2-CD2 3.84Å; Y225-Y262 HydrophobicContact CE2-CD2 3.84Å; Y225-Y262 AromaticContact CE2-CE2 3.92Å; Y225-Y262 HydrophobicContact CE2-CE2 3.92Å; Y225-Y262 HydrophobicContact CG-CE2 4.17Å; Y225-Y262 AromaticContact CZ-CD2 3.64Å; Y225-Y262 AromaticContact CZ-CE2 3.99Å
263	P	91.7	Very high	94	Very high	51 Å²	51	27.9 Å²	27.9	33%	0.331	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	19.2	15.2	36	-37.8	0	0	0	116.4	Y225 I393 I395	Y225-P263 WeakPolarHBondContact CE2-O 3.5Å; P263-I393 HydrophobicContact CB-CD1 4.25Å; P263-I393 HydrophobicContact CB-CG2 4.47Å; P263-I395 HydrophobicContact CG-CD1 4.46Å
264	S	91.9	Very high	93.9	Very high	32 Å²	32	29.6 Å²	29.6	22%	0.224	16%	0.163	C	C	.	.			trans	-61.5	139.5	175.3	-171.2	0	0	0	0	112.9	Y225 P261 D266	Y225-S264 VanDerWaalsContact CE2-O 3.32Å; Y225-S264 WeakPolarHBondContact CE2-O 3.34Å; Y225-S264 PolarHBondContact OH-O 2.95Å; P261-S264 WeakPolarHBondContact O-CB 3.31Å; P261-S264 PolarHBondContact O-N 3.4Å; S264-D266 PolarHBondContact OG-N 2.72Å
265	T	93.7	Very high	93.9	Very high	32 Å²	32	27 Å²	27	20%	0.196	15%	0.153	C	C	.	.			trans	-105.8	6.7	173	45.9	0	0	0	0	113.1	Y225 Q228 L229 V267	Y225-T265 HydrophobicContact CD2-CG2 3.35Å; Y225-T265 HydrophobicContact CE2-CG2 3.29Å; Y225-T265 HydrophobicContact CG-CG2 4.25Å; Q228-T265 HydrophobicContact CB-CG2 3.76Å; Q228-T265 PolarHBondContact OE1-OG1 3.35Å; L229-T265 HydrophobicContact CD2-CG2 4.27Å; L229-T265 HydrophobicContact CG-CG2 4.35Å; T265-V267 VanDerWaalsContact C-N 3.3Å; T265-V267 PolarHBondContact O-N 2.84Å
266	D	93.9	Very high	93.7	Very high	59 Å²	59	28.1 Å²	28.1	32%	0.316	16%	0.16	S	C	.	.			trans	-74.4	79.3	179.8	-170.6	-5.3	0	0	0	111	L258 R259 S264	L258-D266 WeakPolarHBondContact CA-O 3.38Å; R259-D266 HydrophobicContact CB-CB 4.24Å; R259-D266 WeakPolarHBondContact CD-OD1 3.48Å; R259-D266 WeakPolarHBondContact CD-OD2 3.36Å; R259-D266 IonicContact CZ-OD1 2.65Å; R259-D266 PolarHBondContact N-O 2.79Å; R259-D266 IonicContact NE-OD1 3.99Å; R259-D266 IonicContact NH1-OD1 3.42Å; R259-D266 PolarHBondContact NH1-OD1 3.34Å; S264-D266 PolarHBondContact OG-N 2.72Å
267	V	97.1	Very high	93.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	146	-174.7	64.8	0	0	0	0	112.3	S144 L171 L229 I233 L256 L257 L258 T265	S144-V267 VanDerWaalsContact CA-O 3.23Å; S144-V267 WeakPolarHBondContact CA-O 3.35Å; S144-V267 WeakPolarHBondContact CB-O 3.48Å; L171-V267 HydrophobicContact CD1-CG2 4.15Å; L171-V267 HydrophobicContact CG-CG2 4.41Å; L229-V267 HydrophobicContact CD2-CB 3.87Å; L229-V267 HydrophobicContact CD2-CG1 3.92Å; I233-V267 HydrophobicContact CD1-CG1 4.39Å; I233-V267 HydrophobicContact CG1-CG1 3.91Å; I233-V267 HydrophobicContact CG1-CG2 4.47Å; L256-V267 HydrophobicContact CB-CG2 4.01Å; L256-V267 HydrophobicContact CD2-CG2 4.22Å; L257-V267 CarbonylContact O-C 3.54Å; L257-V267 VanDerWaalsContact O-CA 3.31Å; L257-V267 WeakPolarHBondContact O-CA 3.2Å; L258-V267 HydrophobicContact CD2-CB 3.88Å; L258-V267 HydrophobicContact CD2-CG2 4.35Å; T265-V267 VanDerWaalsContact C-N 3.3Å; T265-V267 PolarHBondContact O-N 2.84Å
268	F	96.9	Very high	93.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.7	173	67.7	-93.3	0	0	0	114.5	S144 P147 E164 A166 L256 L257 R259	S144-F268 VanDerWaalsContact O-CA 3.26Å; S144-F268 WeakPolarHBondContact O-CA 3.4Å; P147-F268 HydrophobicContact CB-CD2 4.04Å; P147-F268 HydrophobicContact CB-CE2 3.57Å; P147-F268 HydrophobicContact CB-CZ 4.15Å; P147-F268 HydrophobicContact CG-CD2 4.3Å; P147-F268 HydrophobicContact CG-CE2 3.96Å; E164-F268 HydrophobicContact CG-CZ 4.34Å; A166-F268 HydrophobicContact CB-CE1 4Å; A166-F268 HydrophobicContact CB-CZ 3.87Å; L256-F268 WeakPolarHBondContact CA-O 3.36Å; L257-F268 HydrophobicContact CB-CE1 4.03Å; L257-F268 HydrophobicContact CB-CE2 4.03Å; L257-F268 HydrophobicContact CB-CZ 3.78Å; L257-F268 HydrophobicContact CD1-CE2 4.08Å; L257-F268 HydrophobicContact CD1-CZ 4.06Å; L257-F268 HydrophobicContact CG-CE2 4.41Å; L257-F268 HydrophobicContact CG-CZ 4.46Å; L257-F268 PolarHBondContact N-O 3Å; L257-F268 WeakPolarHBondContact O-CD1 3.34Å; L257-F268 PolarHBondContact O-N 2.89Å; R259-F268 HydrophobicContact CG-CD1 3.67Å; R259-F268 HydrophobicContact CG-CE1 3.74Å
269	F	97.5	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.2	177.3	-84.2	-86.7	0	0	0	113.9	S144 P147 I233 A236 L237 M240 H248 V251 L256 F272	S144-F269 PolarHBondContact O-N 3.27Å; P147-F269 WeakPolarHBondContact CD-O 3.36Å; I233-F269 HydrophobicContact CG2-CE2 3.98Å; I233-F269 HydrophobicContact CG2-CZ 3.83Å; A236-F269 HydrophobicContact CB-CD2 3.75Å; A236-F269 HydrophobicContact CB-CE2 3.76Å; L237-F269 HydrophobicContact CD1-CZ 4.13Å; L237-F269 HydrophobicContact CD2-CE1 4.36Å; L237-F269 HydrophobicContact CD2-CE2 4.35Å; L237-F269 HydrophobicContact CD2-CZ 3.77Å; L237-F269 HydrophobicContact CG-CE2 4.1Å; L237-F269 HydrophobicContact CG-CZ 3.76Å; M240-F269 HydrophobicContact CE-CB 4.11Å; M240-F269 HydrophobicContact CE-CD2 3.91Å; M240-F269 HydrophobicContact CE-CE2 4.47Å; M240-F269 HydrophobicContact CE-CG 3.93Å; H248-F269 AromaticContact CD2-CD1 3.99Å; H248-F269 AromaticContact NE2-CD1 3.97Å; V251-F269 HydrophobicContact CB-CE1 4.4Å; V251-F269 HydrophobicContact CG1-CE1 3.96Å; V251-F269 HydrophobicContact CG1-CZ 4.27Å; V251-F269 HydrophobicContact CG2-CE1 3.97Å; L256-F269 HydrophobicContact CD2-CD1 3.89Å; L256-F269 HydrophobicContact CD2-CD2 4.04Å; L256-F269 HydrophobicContact CD2-CE1 3.92Å; L256-F269 HydrophobicContact CD2-CE2 4.08Å; L256-F269 HydrophobicContact CD2-CG 3.95Å; L256-F269 HydrophobicContact CD2-CZ 4.03Å; F269-F272 HydrophobicContact CB-CE1 4.21Å; F269-F272 HydrophobicContact CB-CZ 3.83Å
270	T	94	Very high	92.6	Very high	22 Å²	22	40.8 Å²	40.8	14%	0.135	23%	0.228	C	C	.	.			trans	-138.8	170.5	172	-162.6	0	0	0	0	113	H248 N255 L257	H248-T270 PolarHBondContact CE1-O 3.24Å; H248-T270 PolarHBondContact NE2-O 3.42Å; N255-T270 PolarHBondContact O-N 3.29Å; L257-T270 HydrophobicContact CD1-CG2 3.85Å; L257-T270 HydrophobicContact CD2-CG2 4.39Å; L257-T270 HydrophobicContact CG-CG2 3.81Å
271	D	91.6	Very high	92.2	Very high	44 Å²	44	40.1 Å²	40.1	24%	0.235	25%	0.25	C	S	.	.			trans	59.9	58.5	-177.2	-145.5	-19.2	0	0	0	116.2	K87 G273	K87-D271 IonicContact NZ-OD1 3.36Å; K87-D271 PolarHBondContact NZ-OD1 3.23Å; K87-D271 IonicContact NZ-OD2 2.95Å; K87-D271 PolarHBondContact NZ-OD2 3.34Å; D271-G273 PolarHBondContact O-N 3.22Å
272	F	93.1	Very high	92	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.013	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.9	20.2	171.5	-55.2	-81.7	0	0	0	115.2	E105 A108 M109 L112 A145 M240 H248 F269 L274 A275	E105-F272 HydrophobicContact CG-CB 4.37Å; A108-F272 HydrophobicContact CB-CB 3.96Å; A108-F272 HydrophobicContact CB-CD1 4.45Å; A108-F272 HydrophobicContact CB-CG 4.33Å; M109-F272 HydrophobicContact CG-CD2 3.42Å; M109-F272 VanDerWaalsContact CG-CD2 3.42Å; M109-F272 HydrophobicContact CG-CE2 3.9Å; M109-F272 HydrophobicContact CG-CG 4.22Å; M109-F272 HydrophobicContact SD-CD2 4.38Å; L112-F272 HydrophobicContact CD1-CD1 3.79Å; L112-F272 HydrophobicContact CD1-CE1 3.29Å; L112-F272 HydrophobicContact CD1-CE2 4.39Å; L112-F272 HydrophobicContact CD1-CZ 3.65Å; A145-F272 WeakPolarHBondContact O-CZ 3.18Å; M240-F272 HydrophobicContact CE-CE1 3.92Å; H248-F272 AromaticContact CD2-CD1 3.59Å; H248-F272 AromaticContact CD2-CE1 3.63Å; H248-F272 AromaticContact NE2-CD1 3.68Å; H248-F272 AromaticContact NE2-CE1 3.75Å; F269-F272 HydrophobicContact CB-CE1 4.21Å; F269-F272 HydrophobicContact CB-CZ 3.83Å; F272-L274 PolarHBondContact O-N 2.89Å; F272-L274 VanDerWaalsContact O-N 3.16Å; F272-A275 HydrophobicContact CB-CB 3.84Å; F272-A275 HydrophobicContact CD1-CB 4.1Å; F272-A275 HydrophobicContact CG-CB 4.5Å; F272-A275 WeakPolarHBondContact O-CB 3.16Å; F272-A275 PolarHBondContact O-N 2.86Å
273	G	89.7	Confident	91.9	Very high	26 Å²	26	49.9 Å²	49.9	27%	0.268	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-66.9	-11.7	-176.6	0	0	0	0	0	115.4	D271	D271-G273 PolarHBondContact O-N 3.22Å
274	L	91.8	Very high	91.7	Very high	36 Å²	36	49 Å²	49	19%	0.188	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-114.6	-5.8	170.7	-60.7	-178.4	0	0	0	113.3	L249 D250 F272 T276 A288	L249-L274 HydrophobicContact CB-CB 4.11Å; D250-L274 HydrophobicContact CB-CD1 4.23Å; F272-L274 PolarHBondContact O-N 2.89Å; F272-L274 VanDerWaalsContact O-N 3.16Å; L274-T276 PolarHBondContact O-N 2.86Å; L274-T276 PolarHBondContact O-OG1 3.1Å; L274-A288 HydrophobicContact CD1-CB 3.61Å; L274-A288 HydrophobicContact CD2-CB 3.85Å; L274-A288 HydrophobicContact CG-CB 4.39Å
275	A	93.9	Very high	91.7	Very high	13 Å²	13	52.2 Å²	52.2	11%	0.107	29%	0.291	C	S	.	.			trans	-63	130.7	-170.3	0	0	0	0	0	111.6	A108 M246 V247 F272	A108-A275 HydrophobicContact CB-CB 4.12Å; M246-A275 HydrophobicContact CG-CB 4.45Å; M246-A275 HydrophobicContact SD-CB 4.17Å; V247-A275 VanDerWaalsContact O-CA 3.26Å; V247-A275 WeakPolarHBondContact O-CA 3.45Å; F272-A275 HydrophobicContact CB-CB 3.84Å; F272-A275 HydrophobicContact CD1-CB 4.1Å; F272-A275 HydrophobicContact CG-CB 4.5Å; F272-A275 WeakPolarHBondContact O-CB 3.16Å; F272-A275 PolarHBondContact O-N 2.86Å
276	T	92.8	Very high	91.3	Very high	35 Å²	35	53.9 Å²	53.9	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.2	-166.9	-68.8	0	0	0	0	111	M246 V247 L274 L278 H284	M246-T276 CarbonylContact C-O 3.48Å; M246-T276 WeakPolarHBondContact CA-O 3.39Å; V247-T276 WeakPolarHBondContact CG2-O 3.38Å; V247-T276 PolarHBondContact N-O 3.25Å; V247-T276 PolarHBondContact O-N 2.85Å; L274-T276 PolarHBondContact O-N 2.86Å; L274-T276 PolarHBondContact O-OG1 3.1Å; T276-L278 HydrophobicContact CG2-CD2 4.41Å; T276-H284 VanDerWaalsContact CG2-ND1 3.31Å; T276-H284 WeakPolarHBondContact CG2-ND1 3.26Å
277	I	93.1	Very high	91	Very high	86 Å²	86	57.1 Å²	57.1	44%	0.441	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.3	171.5	-59.7	175	0	0	0	108.9	R245 M246 H284	R245-I277 HydrophobicContact CB-CG2 4.28Å; R245-I277 CarbonylContact O-C 3.51Å; R245-I277 WeakPolarHBondContact O-CA 3.19Å; M246-I277 HydrophobicContact CB-CG1 4.36Å; M246-I277 HydrophobicContact CE-CG1 4.28Å; I277-H284 PolarHBondContact O-CE1 2.91Å
278	L	93.3	Very high	90.3	Very high	22 Å²	22	58.3 Å²	58.3	12%	0.115	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-81.2	121	176.7	-59.2	-175.1	0	0	0	109.5	R245 V247 T276 H284 I304 F306	R245-L278 PolarHBondContact O-N 3.3Å; V247-L278 HydrophobicContact CG1-CD1 3.77Å; V247-L278 HydrophobicContact CG1-CG 4.26Å; V247-L278 HydrophobicContact CG2-CD1 4.22Å; V247-L278 HydrophobicContact CG2-CD2 4.01Å; V247-L278 HydrophobicContact CG2-CG 4Å; T276-L278 HydrophobicContact CG2-CD2 4.41Å; L278-H284 HydrophobicContact CD2-CB 3.94Å; L278-I304 HydrophobicContact CD2-CG2 4.38Å; L278-F306 HydrophobicContact CB-CE1 4.5Å; L278-F306 HydrophobicContact CB-CZ 3.95Å; L278-F306 HydrophobicContact CD1-CD1 4.31Å; L278-F306 HydrophobicContact CD1-CD2 4.39Å; L278-F306 HydrophobicContact CD1-CE1 3.99Å; L278-F306 HydrophobicContact CD1-CE2 4.05Å; L278-F306 HydrophobicContact CD1-CZ 3.84Å; L278-F306 HydrophobicContact CG-CE1 4.39Å; L278-F306 HydrophobicContact CG-CZ 4.25Å
279	T	90	Very high	89.5	Confident	84 Å²	84	59.4 Å²	59.4	52%	0.515	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-97.9	133.9	178.5	-47.9	0	0	0	0	110.1	K282	T279-K282 WeakPolarHBondContact O-CB 3.42Å; T279-K282 PolarHBondContact O-N 2.88Å; T279-K282 VanDerWaalsContact O-N 3.08Å
280	E	83.8	Confident	88.9	Confident	153 Å²	153	60.9 Å²	60.9	72%	0.715	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	142.7	-179.9	-59.5	-170.3	170.6	0	0	111.6	R245 K282	R245-E280 IonicContact CZ-OE1 3.2Å; R245-E280 IonicContact NE-OE1 3.26Å; R245-E280 IonicContact NH2-OE1 2.74Å; R245-E280 PolarHBondContact NH2-OE1 2.92Å; E280-K282 PolarHBondContact O-N 3.36Å
281	G	84.8	Confident	88.6	Confident	94 Å²	94	61.9 Å²	61.9	97%	0.969	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	-11.5	-171.5	0	0	0	0	0	115.6
282	K	87.8	Confident	88.6	Confident	127 Å²	127	60.9 Å²	60.9	55%	0.552	35%	0.346	S	S	*	.			trans	-105.2	118.3	179.8	-174.3	-179.3	168.4	-163.1	0	111.4	T279 E280 H284	T279-K282 WeakPolarHBondContact O-CB 3.42Å; T279-K282 PolarHBondContact O-N 2.88Å; T279-K282 VanDerWaalsContact O-N 3.08Å; E280-K282 PolarHBondContact O-N 3.36Å; K282-H284 WeakPolarHBondContact CD-NE2 3.37Å; K282-H284 WeakPolarHBondContact CE-NE2 3.43Å; K282-H284 PolarHBondContact NZ-NE2 3.05Å; K282-H284 PolarHBondContact O-CD2 2.88Å
283	Q	88.5	Confident	88.7	Confident	125 Å²	125	61.2 Å²	61.2	58%	0.584	35%	0.347	S	S	*	.			trans	-73.4	131.9	169	-65.8	-173.9	1.2	0	0	110.5	P303	Q283-P303 HydrophobicContact CB-CB 4.28Å; Q283-P303 HydrophobicContact CB-CG 4.37Å; Q283-P303 HydrophobicContact CG-CB 4.16Å; Q283-P303 HydrophobicContact CG-CG 4Å
284	H	87.3	Confident	89	Confident	34 Å²	34	60.5 Å²	60.5	16%	0.157	34%	0.337	C	S	.	.			trans	-109.8	135.2	169.7	-75.2	-126.8	0	0	0	108.5	T276 I277 L278 K282 P303 I304	T276-H284 VanDerWaalsContact CG2-ND1 3.31Å; T276-H284 WeakPolarHBondContact CG2-ND1 3.26Å; I277-H284 PolarHBondContact O-CE1 2.91Å; L278-H284 HydrophobicContact CD2-CB 3.94Å; K282-H284 WeakPolarHBondContact CD-NE2 3.37Å; K282-H284 WeakPolarHBondContact CE-NE2 3.43Å; K282-H284 PolarHBondContact NZ-NE2 3.05Å; K282-H284 PolarHBondContact O-CD2 2.88Å; H284-P303 WeakPolarHBondContact O-CA 3.4Å; H284-I304 PolarHBondContact O-N 3.26Å
285	R	91	Very high	89.2	Confident	99 Å²	99	58.8 Å²	58.8	37%	0.374	33%	0.328	S	S	.	.			trans	-143.1	120	179.6	-60.1	176.9	-174.9	-125.1	5.3	108.6	Y301	R285-Y301 HydrophobicContact CB-CD2 4.19Å; R285-Y301 HydrophobicContact CB-CE1 4.23Å; R285-Y301 HydrophobicContact CB-CE2 3.71Å; R285-Y301 VanDerWaalsContact CD-O 3.31Å; R285-Y301 WeakPolarHBondContact CD-O 3.44Å; R285-Y301 PolarHBondContact NH1-O 3.46Å
286	E	84.9	Confident	89.3	Confident	66 Å²	66	58.4 Å²	58.4	31%	0.308	33%	0.325	S	S	.	.			trans	-144	137.5	177.6	-170	165.4	-168.9	0	0	109.9	K101 A288 I304	K101-E286 IonicContact NZ-OE1 3.19Å; K101-E286 PolarHBondContact NZ-OE1 2.96Å; E286-A288 HydrophobicContact CG-CB 3.96Å; E286-A288 PolarHBondContact O-N 2.83Å; E286-I304 HydrophobicContact CB-CD1 4.23Å
287	L	87.7	Confident	89.5	Confident	127 Å²	127	57 Å²	57	67%	0.665	32%	0.316	S	S	*	.			trans	-92	78.8	174.4	-72.6	169.4	0	0	0	109.3	I298 Y301	L287-I298 HydrophobicContact CD2-CG2 4.37Å; L287-I298 WeakPolarHBondContact CD2-O 3.32Å; L287-Y301 HydrophobicContact CD1-CD2 4.3Å; L287-Y301 HydrophobicContact CD2-CD2 4.24Å; L287-Y301 HydrophobicContact CG-CD2 3.88Å; L287-Y301 HydrophobicContact CG-CE2 4.26Å
288	A	82.9	Confident	89.6	Confident	26 Å²	26	53.4 Å²	53.4	22%	0.215	30%	0.298	C	S	.	.			trans	-139.9	-176.4	-177.8	0	0	0	0	0	111.7	L274 E286 V294	L274-A288 HydrophobicContact CD1-CB 3.61Å; L274-A288 HydrophobicContact CD2-CB 3.85Å; L274-A288 HydrophobicContact CG-CB 4.39Å; E286-A288 HydrophobicContact CG-CB 3.96Å; E286-A288 PolarHBondContact O-N 2.83Å; A288-V294 VanDerWaalsContact O-CG2 3.29Å; A288-V294 WeakPolarHBondContact O-CG2 3.39Å
289	G	80.5	Confident	89.6	Confident	26 Å²	26	54.3 Å²	54.3	27%	0.268	30%	0.302	S	S	.	.	S	Bend	trans	89.3	171.5	-172.2	0	0	0	0	0	113.6
290	T	85.1	Confident	89.8	Confident	30 Å²	30	54.9 Å²	54.9	18%	0.184	30%	0.302	C	S	.	.			trans	-86.1	126.1	-178.2	-55	0	0	0	0	110.6	D250 K252 D292 Y293 V294	D250-T290 PolarHBondContact OD1-N 3.21Å; D250-T290 PolarHBondContact OD1-OG1 3.15Å; K252-T290 HydrophobicContact CD-CG2 4.29Å; K252-T290 VanDerWaalsContact CD-OG1 3.3Å; K252-T290 WeakPolarHBondContact CD-OG1 3.42Å; K252-T290 PolarHBondContact NZ-OG1 3.13Å; T290-D292 VanDerWaalsContact C-N 3.32Å; T290-D292 PolarHBondContact O-N 3.03Å; T290-Y293 PolarHBondContact O-N 3.15Å; T290-V294 WeakPolarHBondContact O-CG2 3.2Å; T290-V294 PolarHBondContact O-N 3.17Å; T290-V294 VanDerWaalsContact O-N 3.16Å
291	P	87.8	Confident	90.3	Very high	44 Å²	44	53 Å²	53	29%	0.286	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.9	-153.1	-29.5	37.3	0	0	0	118.1	K332 T335 I339	P291-K332 HydrophobicContact CB-CD 4.49Å; P291-K332 HydrophobicContact CB-CG 3.8Å; P291-K332 HydrophobicContact CG-CD 4.28Å; P291-K332 HydrophobicContact CG-CG 3.89Å; P291-T335 HydrophobicContact CB-CG2 4.48Å; P291-I339 WeakPolarHBondContact O-CD1 3.4Å
292	D	91.7	Very high	90.8	Very high	22 Å²	22	51.9 Å²	51.9	12%	0.118	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-18.5	179	62.5	-44.5	0	0	0	113.7	T290 S325 L328 T335	T290-D292 VanDerWaalsContact C-N 3.32Å; T290-D292 PolarHBondContact O-N 3.03Å; D292-S325 VanDerWaalsContact OD2-CB 3.31Å; D292-S325 WeakPolarHBondContact OD2-CB 3.47Å; D292-S325 PolarHBondContact OD2-OG 2.93Å; D292-L328 HydrophobicContact CB-CB 4.36Å; D292-L328 HydrophobicContact CB-CD1 4.39Å; D292-T335 HydrophobicContact CB-CG2 3.74Å
293	Y	95	Very high	91.1	Very high	10 Å²	10	47.6 Å²	47.6	4%	0.039	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.3	171	-73.9	-98.6	0	0	0	113.4	V251 K252 T290 S312 V315 L316	V251-Y293 WeakPolarHBondContact O-CD1 3.12Å; K252-Y293 HydrophobicContact CB-CD1 3.7Å; K252-Y293 HydrophobicContact CB-CD2 4Å; K252-Y293 HydrophobicContact CB-CE1 3.68Å; K252-Y293 HydrophobicContact CB-CE2 3.98Å; K252-Y293 HydrophobicContact CB-CG 3.86Å; T290-Y293 PolarHBondContact O-N 3.15Å; Y293-S312 WeakPolarHBondContact O-CB 3.48Å; Y293-S312 PolarHBondContact O-OG 3.37Å; Y293-V315 HydrophobicContact CD1-CB 3.96Å; Y293-V315 HydrophobicContact CD1-CG1 3.62Å; Y293-V315 HydrophobicContact CD2-CG1 4.37Å; Y293-V315 HydrophobicContact CE1-CB 4.36Å; Y293-V315 HydrophobicContact CE1-CG1 3.81Å; Y293-V315 HydrophobicContact CG-CG1 3.93Å; Y293-L316 HydrophobicContact CE1-CB 4.22Å
294	V	94.6	Very high	91.4	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	22%	0.221	C	C	.	.			trans	-70.2	137.5	-175.2	160.9	0	0	0	0	112	A288 T290 I298 I299 W311 I339	A288-V294 VanDerWaalsContact O-CG2 3.29Å; A288-V294 WeakPolarHBondContact O-CG2 3.39Å; T290-V294 WeakPolarHBondContact O-CG2 3.2Å; T290-V294 PolarHBondContact O-N 3.17Å; T290-V294 VanDerWaalsContact O-N 3.16Å; V294-I298 HydrophobicContact CG1-CB 3.71Å; V294-I298 HydrophobicContact CG1-CD1 4.24Å; V294-I298 HydrophobicContact CG1-CG2 3.57Å; V294-I299 HydrophobicContact CG1-CD1 4.35Å; V294-I299 HydrophobicContact CG1-CG1 3.86Å; V294-W311 PolarHBondContact O-NE1 3.06Å; V294-I339 WeakPolarHBondContact O-CD1 3.42Å
295	A	96.6	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.			trans	-76.7	150.3	180	0	0	0	0	0	112.9	E297 I298 I299 T308 W311	A295-E297 VanDerWaalsContact C-N 3.27Å; A295-E297 VanDerWaalsContact CB-CD 3.48Å; A295-E297 HydrophobicContact CB-CG 4.42Å; A295-E297 VanDerWaalsContact CB-OE2 3.27Å; A295-E297 WeakPolarHBondContact CB-OE2 3.32Å; A295-E297 PolarHBondContact O-N 3.18Å; A295-I298 WeakPolarHBondContact O-CB 3.15Å; A295-I298 PolarHBondContact O-N 3.01Å; A295-I299 PolarHBondContact O-N 3.06Å; A295-T308 HydrophobicContact CB-CG2 3.92Å; A295-W311 VanDerWaalsContact CA-CD1 3.4Å; A295-W311 HydrophobicContact CB-CB 3.72Å; A295-W311 HydrophobicContact CB-CD2 4.45Å; A295-W311 HydrophobicContact CB-CG 3.71Å
296	P	96.6	Very high	92.1	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-31.8	-176.8	22.9	-33.8	0	0	0	113.5	I298 I299 N300 W311 I339	P296-I298 VanDerWaalsContact C-N 3.28Å; P296-I298 PolarHBondContact O-N 3.42Å; P296-I299 PolarHBondContact O-N 3.26Å; P296-I299 VanDerWaalsContact O-N 3.17Å; P296-N300 WeakPolarHBondContact O-CB 3.31Å; P296-N300 VanDerWaalsContact O-CG 3.26Å; P296-N300 PolarHBondContact O-N 3.16Å; P296-W311 HydrophobicContact CG-CE3 4.24Å; P296-W311 HydrophobicContact CG-CH2 4.31Å; P296-W311 HydrophobicContact CG-CZ3 4.09Å; P296-I339 HydrophobicContact CB-CG2 3.99Å
297	E	96	Very high	92.8	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-31.9	175.6	65.3	-90	-150.1	0	0	112.9	A295 Y301 D302 T308 P370 R373	A295-E297 VanDerWaalsContact C-N 3.27Å; A295-E297 VanDerWaalsContact CB-CD 3.48Å; A295-E297 HydrophobicContact CB-CG 4.42Å; A295-E297 VanDerWaalsContact CB-OE2 3.27Å; A295-E297 WeakPolarHBondContact CB-OE2 3.32Å; A295-E297 PolarHBondContact O-N 3.18Å; E297-Y301 PolarHBondContact O-N 3.25Å; E297-Y301 VanDerWaalsContact O-N 3.1Å; E297-D302 HydrophobicContact CB-CB 3.87Å; E297-D302 PolarHBondContact O-N 3.34Å; E297-T308 WeakPolarHBondContact OE1-CA 3.14Å; E297-T308 VanDerWaalsContact OE1-CB 3.29Å; E297-T308 WeakPolarHBondContact OE1-CB 2.95Å; E297-T308 PolarHBondContact OE1-OG1 3.42Å; E297-P370 HydrophobicContact CB-CG 4.23Å; E297-P370 HydrophobicContact CG-CG 4.23Å; E297-R373 VanDerWaalsContact CD-NH1 3.33Å; E297-R373 IonicContact OE1-CZ 3.37Å; E297-R373 IonicContact OE1-NH1 3.15Å; E297-R373 PolarHBondContact OE1-NH1 2.59Å; E297-R373 IonicContact OE1-NH2 2.7Å; E297-R373 IonicContact OE2-CZ 3.54Å; E297-R373 IonicContact OE2-NH1 3.19Å; E297-R373 PolarHBondContact OE2-NH1 3.17Å; E297-R373 VanDerWaalsContact OE2-NH1 3.13Å; E297-R373 IonicContact OE2-NH2 3.24Å; E297-R373 PolarHBondContact OE2-NH2 3.16Å
298	I	95.3	Very high	93.2	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-44.6	174.3	-72.7	169.7	0	0	0	109.6	L287 V294 A295 P296 Y301 I304 T308	L287-I298 HydrophobicContact CD2-CG2 4.37Å; L287-I298 WeakPolarHBondContact CD2-O 3.32Å; V294-I298 HydrophobicContact CG1-CB 3.71Å; V294-I298 HydrophobicContact CG1-CD1 4.24Å; V294-I298 HydrophobicContact CG1-CG2 3.57Å; A295-I298 WeakPolarHBondContact O-CB 3.15Å; A295-I298 PolarHBondContact O-N 3.01Å; P296-I298 VanDerWaalsContact C-N 3.28Å; P296-I298 PolarHBondContact O-N 3.42Å; I298-Y301 WeakPolarHBondContact O-CA 3.3Å; I298-Y301 PolarHBondContact O-N 2.89Å; I298-I304 HydrophobicContact CG1-CG1 4.26Å; I298-T308 HydrophobicContact CD1-CG2 3.55Å; I298-T308 HydrophobicContact CG1-CG2 4Å
299	I	94.5	Very high	94	Very high	41 Å²	41	31 Å²	31	21%	0.21	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-41.6	-179.1	-58.1	173	0	0	0	110.9	V294 A295 P296 Y301 M336 I339 T340	V294-I299 HydrophobicContact CG1-CD1 4.35Å; V294-I299 HydrophobicContact CG1-CG1 3.86Å; A295-I299 PolarHBondContact O-N 3.06Å; P296-I299 PolarHBondContact O-N 3.26Å; P296-I299 VanDerWaalsContact O-N 3.17Å; I299-Y301 PolarHBondContact O-N 2.8Å; I299-M336 HydrophobicContact CD1-CB 3.98Å; I299-M336 HydrophobicContact CD1-CG 3.9Å; I299-M336 HydrophobicContact CG1-CG 4.31Å; I299-M336 HydrophobicContact CG2-CB 4.24Å; I299-M336 HydrophobicContact CG2-CG 4.49Å; I299-I339 HydrophobicContact CD1-CB 3.73Å; I299-I339 HydrophobicContact CD1-CD1 3.92Å; I299-I339 HydrophobicContact CD1-CG1 4.45Å; I299-I339 HydrophobicContact CD1-CG2 3.51Å; I299-T340 HydrophobicContact CB-CG2 4.07Å; I299-T340 HydrophobicContact CD1-CG2 4.23Å; I299-T340 HydrophobicContact CG2-CG2 3.72Å
300	N	93.7	Very high	94.8	Very high	95 Å²	95	29.9 Å²	29.9	51%	0.508	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.5	174	-65.1	-8.9	0	0	0	113.4	P296 D302	P296-N300 WeakPolarHBondContact O-CB 3.31Å; P296-N300 VanDerWaalsContact O-CG 3.26Å; P296-N300 PolarHBondContact O-N 3.16Å; N300-D302 VanDerWaalsContact CB-OD2 3.24Å; N300-D302 WeakPolarHBondContact CB-OD2 3.17Å; N300-D302 PolarHBondContact O-N 3.26Å
301	Y	94.7	Very high	95.5	Very high	114 Å²	114	28.4 Å²	28.4	45%	0.447	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	29.6	-172.1	-160.7	-117.8	0	0	0	114.1	R285 L287 E297 I298 I299	R285-Y301 HydrophobicContact CB-CD2 4.19Å; R285-Y301 HydrophobicContact CB-CE1 4.23Å; R285-Y301 HydrophobicContact CB-CE2 3.71Å; R285-Y301 VanDerWaalsContact CD-O 3.31Å; R285-Y301 WeakPolarHBondContact CD-O 3.44Å; R285-Y301 PolarHBondContact NH1-O 3.46Å; L287-Y301 HydrophobicContact CD1-CD2 4.3Å; L287-Y301 HydrophobicContact CD2-CD2 4.24Å; L287-Y301 HydrophobicContact CG-CD2 3.88Å; L287-Y301 HydrophobicContact CG-CE2 4.26Å; E297-Y301 PolarHBondContact O-N 3.25Å; E297-Y301 VanDerWaalsContact O-N 3.1Å; I298-Y301 WeakPolarHBondContact O-CA 3.3Å; I298-Y301 PolarHBondContact O-N 2.89Å; I299-Y301 PolarHBondContact O-N 2.8Å
302	D	95	Very high	95.9	Very high	71 Å²	71	26.7 Å²	26.7	38%	0.38	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-74.4	167.5	172.7	-77.9	-46.9	0	0	0	112.1	E297 N300 I304	E297-D302 HydrophobicContact CB-CB 3.87Å; E297-D302 PolarHBondContact O-N 3.34Å; N300-D302 VanDerWaalsContact CB-OD2 3.24Å; N300-D302 WeakPolarHBondContact CB-OD2 3.17Å; N300-D302 PolarHBondContact O-N 3.26Å; D302-I304 PolarHBondContact O-N 3.43Å
303	P	94.7	Very high	96.3	Very high	36 Å²	36	25.7 Å²	25.7	23%	0.234	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-64.1	128.5	178.1	-22.2	35.3	0	0	0	113	Q283 H284	Q283-P303 HydrophobicContact CB-CB 4.28Å; Q283-P303 HydrophobicContact CB-CG 4.37Å; Q283-P303 HydrophobicContact CG-CB 4.16Å; Q283-P303 HydrophobicContact CG-CG 4Å; H284-P303 WeakPolarHBondContact O-CA 3.4Å
304	I	94.9	Very high	96.4	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.072	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-65.5	141.9	174.8	-69.1	170.7	0	0	0	110.5	V247 L249 L278 H284 E286 I298 D302 T308	V247-I304 HydrophobicContact CG2-CG2 4.17Å; L249-I304 HydrophobicContact CD1-CD1 4.09Å; L249-I304 HydrophobicContact CD1-CG2 4.38Å; L249-I304 HydrophobicContact CD2-CG2 3.66Å; L278-I304 HydrophobicContact CD2-CG2 4.38Å; H284-I304 PolarHBondContact O-N 3.26Å; E286-I304 HydrophobicContact CB-CD1 4.23Å; I298-I304 HydrophobicContact CG1-CG1 4.26Å; D302-I304 PolarHBondContact O-N 3.43Å; I304-T308 HydrophobicContact CG2-CG2 4.42Å
305	T	95.7	Very high	96.6	Very high	50 Å²	50	24.7 Å²	24.7	31%	0.307	13%	0.129	S	C	.	.			trans	-138.1	173.6	179.5	68.1	0	0	0	0	111.3	A307 T308	T305-A307 PolarHBondContact O-N 2.66Å; T305-A307 PolarHBondContact OG1-N 3.06Å; T305-T308 PolarHBondContact N-OG1 2.91Å; T305-T308 WeakPolarHBondContact O-CB 3.3Å; T305-T308 PolarHBondContact O-N 2.78Å; T305-T308 PolarHBondContact O-OG1 3.33Å
306	F	97.4	Very high	96.7	Very high	46 Å²	46	24.7 Å²	24.7	20%	0.202	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-32.2	172.1	-57.7	-70.9	0	0	0	112.9	H241 R245 V247 L278 T308 D309	H241-F306 HydrophobicContact CB-CB 4.3Å; H241-F306 HydrophobicContact CB-CD1 3.68Å; H241-F306 HydrophobicContact CB-CE1 4.38Å; H241-F306 HydrophobicContact CB-CG 4.16Å; H241-F306 AromaticContact CD2-CD1 3.78Å; H241-F306 PolarHBondContact CE1-O 3.22Å; H241-F306 AromaticContact CG-CD1 3.67Å; R245-F306 HydrophobicContact CB-CZ 4.27Å; R245-F306 VanDerWaalsContact NH1-CZ 3.28Å; V247-F306 HydrophobicContact CG1-CD1 3.59Å; V247-F306 HydrophobicContact CG1-CE1 4.01Å; V247-F306 HydrophobicContact CG1-CG 4.34Å; L278-F306 HydrophobicContact CB-CE1 4.5Å; L278-F306 HydrophobicContact CB-CZ 3.95Å; L278-F306 HydrophobicContact CD1-CD1 4.31Å; L278-F306 HydrophobicContact CD1-CD2 4.39Å; L278-F306 HydrophobicContact CD1-CE1 3.99Å; L278-F306 HydrophobicContact CD1-CE2 4.05Å; L278-F306 HydrophobicContact CD1-CZ 3.84Å; L278-F306 HydrophobicContact CG-CE1 4.39Å; L278-F306 HydrophobicContact CG-CZ 4.25Å; F306-T308 PolarHBondContact O-N 3.22Å; F306-T308 VanDerWaalsContact O-N 3.16Å; F306-D309 PolarHBondContact O-N 3.44Å
307	A	97.8	Very high	96.7	Very high	18 Å²	18	24.4 Å²	24.4	15%	0.149	13%	0.127	C	C	.	.	H	α-helix	trans	-67.1	-11.2	174.5	0	0	0	0	0	113.7	T305 M310 W311 P370 R373	T305-A307 PolarHBondContact O-N 2.66Å; T305-A307 PolarHBondContact OG1-N 3.06Å; A307-M310 PolarHBondContact O-N 3.48Å; A307-W311 PolarHBondContact O-N 3.11Å; A307-P370 HydrophobicContact CB-CB 3.97Å; A307-P370 WeakPolarHBondContact CB-O 3.11Å; A307-R373 HydrophobicContact CB-CB 4.36Å; A307-R373 WeakPolarHBondContact O-CD 3.29Å; A307-R373 PolarHBondContact O-NH1 3.18Å
308	T	97.7	Very high	96.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-43.1	174.4	-55.9	0	0	0	0	111.6	L249 A295 E297 I298 I304 T305 F306 M310	L249-T308 HydrophobicContact CD2-CG2 3.97Å; A295-T308 HydrophobicContact CB-CG2 3.92Å; E297-T308 WeakPolarHBondContact OE1-CA 3.14Å; E297-T308 VanDerWaalsContact OE1-CB 3.29Å; E297-T308 WeakPolarHBondContact OE1-CB 2.95Å; E297-T308 PolarHBondContact OE1-OG1 3.42Å; I298-T308 HydrophobicContact CD1-CG2 3.55Å; I298-T308 HydrophobicContact CG1-CG2 4Å; I304-T308 HydrophobicContact CG2-CG2 4.42Å; T305-T308 PolarHBondContact N-OG1 2.91Å; T305-T308 WeakPolarHBondContact O-CB 3.3Å; T305-T308 PolarHBondContact O-N 2.78Å; T305-T308 PolarHBondContact O-OG1 3.33Å; F306-T308 PolarHBondContact O-N 3.22Å; F306-T308 VanDerWaalsContact O-N 3.16Å; T308-M310 VanDerWaalsContact C-N 3.27Å; T308-M310 PolarHBondContact O-N 2.95Å
309	D	98.2	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-34.5	171.7	-70.2	-30.8	0	0	0	111.2	L237 H241 V247 H248 L249 V251 F306 W311 S312 V313	L237-D309 HydrophobicContact CD2-CB 4.29Å; H241-D309 IonicContact CD2-OD2 3.14Å; H241-D309 IonicContact CE1-OD2 3.38Å; H241-D309 IonicContact NE2-OD2 2.64Å; H241-D309 PolarHBondContact NE2-OD2 3.43Å; V247-D309 VanDerWaalsContact CA-OD2 3.27Å; V247-D309 WeakPolarHBondContact CA-OD2 3.29Å; V247-D309 WeakPolarHBondContact CB-OD2 3.4Å; H248-D309 PolarHBondContact N-OD1 2.83Å; H248-D309 VanDerWaalsContact N-OD1 3.16Å; H248-D309 PolarHBondContact N-OD2 3.33Å; L249-D309 PolarHBondContact N-OD1 3.16Å; V251-D309 HydrophobicContact CG2-CB 4.06Å; F306-D309 PolarHBondContact O-N 3.44Å; D309-W311 VanDerWaalsContact C-N 3.35Å; D309-W311 PolarHBondContact O-N 3.44Å; D309-S312 WeakPolarHBondContact O-CB 3.38Å; D309-S312 PolarHBondContact O-N 3.09Å; D309-S312 VanDerWaalsContact O-N 3.09Å; D309-V313 PolarHBondContact O-N 2.99Å
310	M	98.6	Very high	96.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-32.8	-177.4	-58.7	-50	-54.4	0	0	113.2	L234 L237 A307 T308 S312 V313 G314 L365 M374 A376 C379	L234-M310 HydrophobicContact CD2-CE 3.81Å; L237-M310 HydrophobicContact CD1-SD 4.39Å; A307-M310 PolarHBondContact O-N 3.48Å; T308-M310 VanDerWaalsContact C-N 3.27Å; T308-M310 PolarHBondContact O-N 2.95Å; M310-S312 VanDerWaalsContact C-N 3.33Å; M310-V313 HydrophobicContact CE-CB 4.46Å; M310-V313 HydrophobicContact CE-CG2 4.45Å; M310-V313 PolarHBondContact O-N 3.3Å; M310-G314 PolarHBondContact O-N 2.97Å; M310-G314 VanDerWaalsContact O-N 3.07Å; M310-L365 HydrophobicContact CB-CD2 4.04Å; M310-L365 HydrophobicContact CE-CD2 3.72Å; M310-M374 WeakPolarHBondContact CG-O 3.35Å; M310-A376 HydrophobicContact CE-CB 4.07Å; M310-A376 HydrophobicContact SD-CB 3.73Å; M310-A376 PolarHBondContact SD-N 3.29Å; M310-C379 VanDerWaalsContact CE-SG 3.52Å
311	W	98.3	Very high	96.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.6	-47.3	169.1	172.7	-85	0	0	0	111.1	V294 A295 P296 A307 D309 V313 G314 V315 F327 I339 L366	V294-W311 PolarHBondContact O-NE1 3.06Å; A295-W311 VanDerWaalsContact CA-CD1 3.4Å; A295-W311 HydrophobicContact CB-CB 3.72Å; A295-W311 HydrophobicContact CB-CD2 4.45Å; A295-W311 HydrophobicContact CB-CG 3.71Å; P296-W311 HydrophobicContact CG-CE3 4.24Å; P296-W311 HydrophobicContact CG-CH2 4.31Å; P296-W311 HydrophobicContact CG-CZ3 4.09Å; A307-W311 PolarHBondContact O-N 3.11Å; D309-W311 VanDerWaalsContact C-N 3.35Å; D309-W311 PolarHBondContact O-N 3.44Å; W311-V313 VanDerWaalsContact C-N 3.29Å; W311-V313 PolarHBondContact O-N 2.75Å; W311-G314 WeakPolarHBondContact O-CA 3.37Å; W311-G314 PolarHBondContact O-N 3.28Å; W311-V315 PolarHBondContact O-N 2.91Å; W311-F327 AromaticContact CE2-CE2 3.95Å; W311-F327 HydrophobicContact CH2-CE1 4.47Å; W311-F327 AromaticContact CH2-CE2 3.99Å; W311-F327 HydrophobicContact CH2-CE2 3.99Å; W311-F327 AromaticContact CH2-CZ 3.64Å; W311-F327 HydrophobicContact CH2-CZ 3.64Å; W311-F327 HydrophobicContact CZ2-CD2 4.11Å; W311-F327 HydrophobicContact CZ2-CE1 4.34Å; W311-F327 AromaticContact CZ2-CE2 3.28Å; W311-F327 HydrophobicContact CZ2-CE2 3.28Å; W311-F327 AromaticContact CZ2-CZ 3.43Å; W311-F327 HydrophobicContact CZ2-CZ 3.43Å; W311-F327 VanDerWaalsContact CZ2-CZ 3.43Å; W311-I339 HydrophobicContact CH2-CG2 4.44Å; W311-I339 HydrophobicContact CZ2-CB 4.45Å; W311-I339 HydrophobicContact CZ2-CG1 4.43Å; W311-I339 HydrophobicContact CZ2-CG2 3.75Å; W311-L366 HydrophobicContact CD2-CD2 3.91Å; W311-L366 HydrophobicContact CE3-CD2 4.05Å; W311-L366 HydrophobicContact CG-CD2 4.37Å; W311-L366 HydrophobicContact CH2-CD2 4.48Å; W311-L366 HydrophobicContact CZ2-CD2 4.34Å; W311-L366 HydrophobicContact CZ3-CB 4.25Å; W311-L366 HydrophobicContact CZ3-CD2 4.34Å; W311-L366 WeakPolarHBondContact CZ3-O 3.44Å; W311-L366 WeakPolarHBondContact O-CD2 3.23Å
312	S	98.2	Very high	96.8	Very high	8 Å²	8	13.8 Å²	13.8	6%	0.056	8%	0.077	C	C	.	.	H	α-helix	trans	-65.7	-29.3	179	-51.5	0	0	0	0	112.6	V251 Y293 D309 M310 V315 L316	V251-S312 WeakPolarHBondContact O-CB 3.49Å; Y293-S312 WeakPolarHBondContact O-CB 3.48Å; Y293-S312 PolarHBondContact O-OG 3.37Å; D309-S312 WeakPolarHBondContact O-CB 3.38Å; D309-S312 PolarHBondContact O-N 3.09Å; D309-S312 VanDerWaalsContact O-N 3.09Å; M310-S312 VanDerWaalsContact C-N 3.33Å; S312-V315 PolarHBondContact O-N 3.01Å; S312-L316 VanDerWaalsContact O-CB 3.26Å; S312-L316 WeakPolarHBondContact O-CB 3.49Å; S312-L316 PolarHBondContact O-N 2.96Å
313	V	98.5	Very high	96.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.5	-37	167.4	178.8	0	0	0	0	111.8	L230 L234 L237 V251 D309 M310 W311 L316 T317 L365	L230-V313 HydrophobicContact CD2-CG1 4.31Å; L234-V313 HydrophobicContact CD2-CG1 4.28Å; L237-V313 HydrophobicContact CD1-CG2 3.4Å; V251-V313 HydrophobicContact CG1-CG2 4.19Å; D309-V313 PolarHBondContact O-N 2.99Å; M310-V313 HydrophobicContact CE-CB 4.46Å; M310-V313 HydrophobicContact CE-CG2 4.45Å; M310-V313 PolarHBondContact O-N 3.3Å; W311-V313 VanDerWaalsContact C-N 3.29Å; W311-V313 PolarHBondContact O-N 2.75Å; V313-L316 PolarHBondContact O-N 2.68Å; V313-T317 WeakPolarHBondContact O-CB 3.48Å; V313-T317 PolarHBondContact O-N 3.46Å; V313-T317 PolarHBondContact O-OG1 2.88Å; V313-L365 HydrophobicContact CB-CD1 4.39Å; V313-L365 HydrophobicContact CG1-CD1 3.96Å
314	G	98.4	Very high	96.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.1	-45	173	0	0	0	0	0	112.5	M310 W311 T317 Y318	M310-G314 PolarHBondContact O-N 2.97Å; M310-G314 VanDerWaalsContact O-N 3.07Å; W311-G314 WeakPolarHBondContact O-CA 3.37Å; W311-G314 PolarHBondContact O-N 3.28Å; G314-T317 PolarHBondContact O-N 3.47Å; G314-Y318 PolarHBondContact O-N 2.62Å; G314-Y318 VanDerWaalsContact O-N 3.1Å
315	V	98	Very high	96.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.1	-47.3	174.7	178.3	0	0	0	0	110.7	Y293 W311 S312 T317 Y318 Y319 P326 F327 L366	Y293-V315 HydrophobicContact CD1-CB 3.96Å; Y293-V315 HydrophobicContact CD1-CG1 3.62Å; Y293-V315 HydrophobicContact CD2-CG1 4.37Å; Y293-V315 HydrophobicContact CE1-CB 4.36Å; Y293-V315 HydrophobicContact CE1-CG1 3.81Å; Y293-V315 HydrophobicContact CG-CG1 3.93Å; W311-V315 PolarHBondContact O-N 2.91Å; S312-V315 PolarHBondContact O-N 3.01Å; V315-T317 VanDerWaalsContact C-N 3.33Å; V315-T317 PolarHBondContact O-N 2.89Å; V315-Y318 PolarHBondContact O-N 2.8Å; V315-Y319 WeakPolarHBondContact O-CB 3.19Å; V315-Y319 PolarHBondContact O-N 3.03Å; V315-P326 HydrophobicContact CG1-CG 4.2Å; V315-F327 HydrophobicContact CG2-CD2 4.09Å; V315-F327 HydrophobicContact CG2-CE2 3.9Å; V315-L366 HydrophobicContact CG2-CD2 3.85Å
316	L	98	Very high	96.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.4	-44.7	175.5	176.4	67.3	0	0	0	111.6	I233 A253 L256 Y293 S312 V313 Y319 L320	I233-L316 HydrophobicContact CD1-CD2 4.19Å; A253-L316 HydrophobicContact CB-CD1 3.96Å; L256-L316 HydrophobicContact CD1-CD1 4.28Å; L256-L316 HydrophobicContact CD1-CD2 3.38Å; L256-L316 HydrophobicContact CD1-CG 4.48Å; Y293-L316 HydrophobicContact CE1-CB 4.22Å; S312-L316 VanDerWaalsContact O-CB 3.26Å; S312-L316 WeakPolarHBondContact O-CB 3.49Å; S312-L316 PolarHBondContact O-N 2.96Å; V313-L316 PolarHBondContact O-N 2.68Å; L316-Y319 CarbonylContact O-C 3.57Å; L316-Y319 WeakPolarHBondContact O-CB 3.39Å; L316-Y319 PolarHBondContact O-N 2.7Å; L316-Y319 VanDerWaalsContact O-N 3.17Å; L316-L320 HydrophobicContact CD1-CD1 4.26Å; L316-L320 HydrophobicContact CD1-CD2 4.28Å; L316-L320 HydrophobicContact CD1-CG 4.03Å; L316-L320 HydrophobicContact CG-CD1 4.05Å; L316-L320 HydrophobicContact CG-CG 4.2Å; L316-L320 VanDerWaalsContact O-CG 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 3.09Å
317	T	98.1	Very high	96.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-45.5	-178.5	-57.6	0	0	0	0	111.3	L230 V313 G314 V315 Y319 L320 L321 F361 I362 W384	L230-T317 HydrophobicContact CD1-CG2 3.8Å; V313-T317 WeakPolarHBondContact O-CB 3.48Å; V313-T317 PolarHBondContact O-N 3.46Å; V313-T317 PolarHBondContact O-OG1 2.88Å; G314-T317 PolarHBondContact O-N 3.47Å; V315-T317 VanDerWaalsContact C-N 3.33Å; V315-T317 PolarHBondContact O-N 2.89Å; T317-Y319 VanDerWaalsContact C-N 3.3Å; T317-Y319 PolarHBondContact O-N 3.25Å; T317-L320 PolarHBondContact O-N 3.44Å; T317-L321 HydrophobicContact CG2-CD1 3.86Å; T317-L321 WeakPolarHBondContact O-CD1 3.49Å; T317-L321 WeakPolarHBondContact O-CG 3.2Å; T317-L321 PolarHBondContact O-N 3.09Å; T317-L321 VanDerWaalsContact O-N 3.13Å; T317-F361 HydrophobicContact CG2-CD1 3.91Å; T317-F361 HydrophobicContact CG2-CE1 4.08Å; T317-I362 HydrophobicContact CG2-CD1 4.4Å; T317-I362 HydrophobicContact CG2-CG1 3.84Å; T317-W384 HydrophobicContact CG2-CH2 3.79Å; T317-W384 HydrophobicContact CG2-CZ3 3.75Å
318	Y	97.2	Very high	96.2	Very high	10 Å²	10	13.8 Å²	13.8	4%	0.039	8%	0.079	C	C	.	.	H	α-helix	trans	-57.3	-44.3	172.4	-173.2	-71.7	0	0	0	111.2	G314 V315 L321 T322 I324 P326 Y346 F351 I362	G314-Y318 PolarHBondContact O-N 2.62Å; G314-Y318 VanDerWaalsContact O-N 3.1Å; V315-Y318 PolarHBondContact O-N 2.8Å; Y318-L321 PolarHBondContact O-N 3.12Å; Y318-T322 HydrophobicContact CD1-CG2 4.32Å; Y318-T322 WeakPolarHBondContact CD1-OG1 3.14Å; Y318-T322 HydrophobicContact CE1-CG2 4.09Å; Y318-T322 WeakPolarHBondContact CE1-OG1 3.23Å; Y318-T322 WeakPolarHBondContact O-CB 3.3Å; Y318-T322 WeakPolarHBondContact O-CG2 3.49Å; Y318-T322 PolarHBondContact O-N 3.14Å; Y318-T322 VanDerWaalsContact O-N 3.13Å; Y318-T322 PolarHBondContact O-OG1 2.65Å; Y318-I324 VanDerWaalsContact CD1-O 3.27Å; Y318-I324 WeakPolarHBondContact CD1-O 3.46Å; Y318-I324 WeakPolarHBondContact CE1-O 3.31Å; Y318-P326 HydrophobicContact CD1-CB 3.81Å; Y318-P326 HydrophobicContact CD1-CG 3.97Å; Y318-P326 HydrophobicContact CD2-CB 3.98Å; Y318-P326 HydrophobicContact CD2-CG 4.47Å; Y318-P326 HydrophobicContact CE1-CB 3.92Å; Y318-P326 HydrophobicContact CE2-CB 4.07Å; Y318-P326 HydrophobicContact CG-CB 3.86Å; Y318-P326 HydrophobicContact CG-CG 3.95Å; Y318-Y346 HydrophobicContact CD2-CE1 4.31Å; Y318-Y346 HydrophobicContact CE2-CD1 4.4Å; Y318-Y346 HydrophobicContact CE2-CE1 4.4Å; Y318-F351 HydrophobicContact CD2-CE2 4.23Å; Y318-F351 AromaticContact CD2-CZ 3.71Å; Y318-F351 HydrophobicContact CD2-CZ 3.71Å; Y318-F351 AromaticContact CE2-CE2 3.55Å; Y318-F351 HydrophobicContact CE2-CE2 3.55Å; Y318-F351 AromaticContact CE2-CZ 3.53Å; Y318-F351 HydrophobicContact CE2-CZ 3.53Å; Y318-F351 HydrophobicContact CG-CZ 4.38Å; Y318-F351 AromaticContact CZ-CE2 3.79Å; Y318-I362 HydrophobicContact CD2-CD1 4.36Å
319	Y	95.7	Very high	95.9	Very high	21 Å²	21	14.6 Å²	14.6	8%	0.082	9%	0.088	C	C	.	.	H	α-helix	trans	-65.1	-43.8	178.9	-176.1	-101.9	0	0	0	112.9	Y172 C175 A253 V315 L316 T317 L321 T322 G323	Y172-Y319 HydrophobicContact CD2-CE1 4.47Å; C175-Y319 HydrophobicContact CB-CD1 4.47Å; C175-Y319 HydrophobicContact CB-CE1 3.64Å; A253-Y319 HydrophobicContact CB-CD1 3.93Å; A253-Y319 HydrophobicContact CB-CE1 3.86Å; V315-Y319 WeakPolarHBondContact O-CB 3.19Å; V315-Y319 PolarHBondContact O-N 3.03Å; L316-Y319 CarbonylContact O-C 3.57Å; L316-Y319 WeakPolarHBondContact O-CB 3.39Å; L316-Y319 PolarHBondContact O-N 2.7Å; L316-Y319 VanDerWaalsContact O-N 3.17Å; T317-Y319 VanDerWaalsContact C-N 3.3Å; T317-Y319 PolarHBondContact O-N 3.25Å; Y319-L321 VanDerWaalsContact C-N 3.26Å; Y319-L321 PolarHBondContact O-N 3.15Å; Y319-T322 PolarHBondContact O-N 3.23Å; Y319-G323 WeakPolarHBondContact CE2-O 3.45Å; Y319-G323 WeakPolarHBondContact O-CA 3.26Å; Y319-G323 PolarHBondContact O-N 2.86Å
320	L	95.7	Very high	95.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-32.4	177.3	-69	179.4	0	0	0	112.4	L171 C175 Y179 I226 L230 L316 T317	L171-L320 HydrophobicContact CB-CD2 4.36Å; L171-L320 HydrophobicContact CD1-CD2 4.24Å; C175-L320 VanDerWaalsContact SG-CD2 3.55Å; Y179-L320 PolarHBondContact OH-O 2.9Å; I226-L320 HydrophobicContact CD1-CB 4.41Å; I226-L320 WeakPolarHBondContact CD1-O 3.37Å; I226-L320 HydrophobicContact CG1-CB 4.33Å; I226-L320 HydrophobicContact CG2-CB 3.99Å; I226-L320 HydrophobicContact CG2-CD1 4.13Å; L230-L320 HydrophobicContact CD2-CD1 4.37Å; L316-L320 HydrophobicContact CD1-CD1 4.26Å; L316-L320 HydrophobicContact CD1-CD2 4.28Å; L316-L320 HydrophobicContact CD1-CG 4.03Å; L316-L320 HydrophobicContact CG-CD1 4.05Å; L316-L320 HydrophobicContact CG-CG 4.2Å; L316-L320 VanDerWaalsContact O-CG 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 3.09Å; T317-L320 PolarHBondContact O-N 3.44Å
321	L	94.6	Very high	95.2	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-82.8	-22.8	179.8	-73.4	161.8	0	0	0	114.3	Y179 E223 I226 T317 Y318 Y319 R354 I362 W384	Y179-L321 VanDerWaalsContact OH-C 3.24Å; Y179-L321 PolarHBondContact OH-O 2.89Å; E223-L321 HydrophobicContact CG-CD2 3.83Å; I226-L321 HydrophobicContact CD1-CD2 3.52Å; I226-L321 HydrophobicContact CD1-CG 3.95Å; T317-L321 HydrophobicContact CG2-CD1 3.86Å; T317-L321 WeakPolarHBondContact O-CD1 3.49Å; T317-L321 WeakPolarHBondContact O-CG 3.2Å; T317-L321 PolarHBondContact O-N 3.09Å; T317-L321 VanDerWaalsContact O-N 3.13Å; Y318-L321 PolarHBondContact O-N 3.12Å; Y319-L321 VanDerWaalsContact C-N 3.26Å; Y319-L321 PolarHBondContact O-N 3.15Å; L321-R354 PolarHBondContact O-NE 3.38Å; L321-R354 PolarHBondContact O-NH2 3.1Å; L321-I362 HydrophobicContact CD1-CD1 3.9Å; L321-W384 HydrophobicContact CD1-CH2 4.17Å; L321-W384 HydrophobicContact CD1-CZ2 4.37Å; L321-W384 HydrophobicContact CD2-CZ2 4.29Å
322	T	93	Very high	94.8	Very high	10 Å²	10	29 Å²	29	6%	0.061	16%	0.155	C	C	.	.	H	α-helix	trans	-129.2	-17.1	-169.1	65.9	0	0	0	0	115.5	Y318 Y319 I324 L350 F351	Y318-T322 HydrophobicContact CD1-CG2 4.32Å; Y318-T322 WeakPolarHBondContact CD1-OG1 3.14Å; Y318-T322 HydrophobicContact CE1-CG2 4.09Å; Y318-T322 WeakPolarHBondContact CE1-OG1 3.23Å; Y318-T322 WeakPolarHBondContact O-CB 3.3Å; Y318-T322 WeakPolarHBondContact O-CG2 3.49Å; Y318-T322 PolarHBondContact O-N 3.14Å; Y318-T322 VanDerWaalsContact O-N 3.13Å; Y318-T322 PolarHBondContact O-OG1 2.65Å; Y319-T322 PolarHBondContact O-N 3.23Å; T322-I324 PolarHBondContact O-N 3.1Å; T322-I324 PolarHBondContact OG1-N 2.93Å; T322-I324 VanDerWaalsContact OG1-N 3.16Å; T322-I324 PolarHBondContact OG1-O 2.92Å; T322-L350 HydrophobicContact CG2-CB 3.95Å; T322-L350 HydrophobicContact CG2-CD1 4.32Å; T322-F351 HydrophobicContact CG2-CD2 4.47Å; T322-F351 HydrophobicContact CG2-CE1 4.28Å; T322-F351 HydrophobicContact CG2-CE2 3.66Å; T322-F351 HydrophobicContact CG2-CZ 3.54Å
323	G	92	Very high	94.5	Very high	20 Å²	20	35.5 Å²	35.5	21%	0.206	18%	0.179	C	C	.	.	S	Bend	trans	71.1	3.8	-169.2	0	0	0	0	0	114.9	Y319	Y319-G323 WeakPolarHBondContact CE2-O 3.45Å; Y319-G323 WeakPolarHBondContact O-CA 3.26Å; Y319-G323 PolarHBondContact O-N 2.86Å
324	I	92.3	Very high	94.3	Very high	51 Å²	51	38.1 Å²	38.1	26%	0.262	19%	0.193	S	C	.	.	S	Bend	trans	-122.8	143	-172	-63.3	174.7	0	0	0	109.8	F183 Y318 T322 L350	F183-I324 HydrophobicContact CD1-CD1 4.39Å; F183-I324 HydrophobicContact CD2-CD1 4.05Å; F183-I324 HydrophobicContact CE1-CD1 4.08Å; F183-I324 HydrophobicContact CE2-CD1 3.71Å; F183-I324 HydrophobicContact CG-CD1 4.38Å; F183-I324 HydrophobicContact CZ-CD1 3.73Å; Y318-I324 VanDerWaalsContact CD1-O 3.27Å; Y318-I324 WeakPolarHBondContact CD1-O 3.46Å; Y318-I324 WeakPolarHBondContact CE1-O 3.31Å; T322-I324 PolarHBondContact O-N 3.1Å; T322-I324 PolarHBondContact OG1-N 2.93Å; T322-I324 VanDerWaalsContact OG1-N 3.16Å; T322-I324 PolarHBondContact OG1-O 2.92Å; I324-L350 HydrophobicContact CD1-CD1 3.98Å; I324-L350 HydrophobicContact CD1-CD2 3.96Å
325	S	93.6	Very high	94.2	Very high	17 Å²	17	38.3 Å²	38.3	12%	0.119	19%	0.194	C	C	.	.			trans	-85.4	129.5	175.8	179.1	0	0	0	0	110.3	D292 F327	D292-S325 VanDerWaalsContact OD2-CB 3.31Å; D292-S325 WeakPolarHBondContact OD2-CB 3.47Å; D292-S325 PolarHBondContact OD2-OG 2.93Å; S325-F327 PolarHBondContact O-N 2.59Å
326	P	95.1	Very high	94	Very high	29 Å²	29	40.6 Å²	40.6	19%	0.188	21%	0.205	C	C	.	.	S	Bend	trans	-70.6	-13.2	-173.1	27.2	-34.1	0	0	0	114.6	V315 Y318	V315-P326 HydrophobicContact CG1-CG 4.2Å; Y318-P326 HydrophobicContact CD1-CB 3.81Å; Y318-P326 HydrophobicContact CD1-CG 3.97Å; Y318-P326 HydrophobicContact CD2-CB 3.98Å; Y318-P326 HydrophobicContact CD2-CG 4.47Å; Y318-P326 HydrophobicContact CE1-CB 3.92Å; Y318-P326 HydrophobicContact CE2-CB 4.07Å; Y318-P326 HydrophobicContact CG-CB 3.86Å; Y318-P326 HydrophobicContact CG-CG 3.95Å
327	F	95.6	Very high	93.8	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.022	22%	0.223	C	C	.	.	S	Bend	trans	-125.7	-8.9	-175.2	-57.6	-63.4	0	0	0	115.1	W311 V315 S325 G329 N338 I339 I344 L366	W311-F327 AromaticContact CE2-CE2 3.95Å; W311-F327 HydrophobicContact CH2-CE1 4.47Å; W311-F327 AromaticContact CH2-CE2 3.99Å; W311-F327 HydrophobicContact CH2-CE2 3.99Å; W311-F327 AromaticContact CH2-CZ 3.64Å; W311-F327 HydrophobicContact CH2-CZ 3.64Å; W311-F327 HydrophobicContact CZ2-CD2 4.11Å; W311-F327 HydrophobicContact CZ2-CE1 4.34Å; W311-F327 AromaticContact CZ2-CE2 3.28Å; W311-F327 HydrophobicContact CZ2-CE2 3.28Å; W311-F327 AromaticContact CZ2-CZ 3.43Å; W311-F327 HydrophobicContact CZ2-CZ 3.43Å; W311-F327 VanDerWaalsContact CZ2-CZ 3.43Å; V315-F327 HydrophobicContact CG2-CD2 4.09Å; V315-F327 HydrophobicContact CG2-CE2 3.9Å; S325-F327 PolarHBondContact O-N 2.59Å; F327-G329 PolarHBondContact O-N 3.19Å; F327-G329 VanDerWaalsContact O-N 3.14Å; F327-N338 HydrophobicContact CB-CB 4.06Å; F327-N338 HydrophobicContact CD1-CB 4.21Å; F327-N338 VanDerWaalsContact O-CB 3.32Å; F327-N338 WeakPolarHBondContact O-CB 3.34Å; F327-N338 PolarHBondContact O-ND2 2.81Å; F327-I339 HydrophobicContact CB-CD1 4.44Å; F327-I339 HydrophobicContact CB-CG1 3.73Å; F327-I339 HydrophobicContact CD1-CG1 4.27Å; F327-I339 HydrophobicContact CD2-CG1 3.85Å; F327-I339 HydrophobicContact CG-CG1 3.69Å; F327-I344 HydrophobicContact CE1-CD1 4.38Å; F327-I344 HydrophobicContact CE1-CG1 3.66Å; F327-I344 HydrophobicContact CZ-CD1 3.99Å; F327-I344 HydrophobicContact CZ-CG1 3.71Å; F327-L366 HydrophobicContact CE2-CD1 4.25Å; F327-L366 HydrophobicContact CE2-CD2 4.2Å; F327-L366 HydrophobicContact CZ-CD1 4.21Å
328	L	92.8	Very high	93.7	Very high	114 Å²	114	46.9 Å²	46.9	60%	0.597	24%	0.237	S	C	*	.			trans	-61.9	116.5	-173.9	-177.9	64.1	0	0	0	111.6	D292	D292-L328 HydrophobicContact CB-CB 4.36Å; D292-L328 HydrophobicContact CB-CD1 4.39Å
329	G	91.5	Very high	93.7	Very high	19 Å²	19	46.4 Å²	46.4	20%	0.196	24%	0.235	C	C	.	.			trans	-99.6	177.7	174.2	0	0	0	0	0	112.7	F327 D331 T335	F327-G329 PolarHBondContact O-N 3.19Å; F327-G329 VanDerWaalsContact O-N 3.14Å; G329-D331 PolarHBondContact O-N 2.66Å; G329-T335 PolarHBondContact N-OG1 3.23Å
330	E	90.5	Very high	93.6	Very high	110 Å²	110	46.4 Å²	46.4	51%	0.514	24%	0.237	S	C	.	.	S	Bend	trans	-61.3	-28.1	178.6	-57	-174	163.7	0	0	112.8	S187 S190 I334	S187-E330 WeakPolarHBondContact CB-OE1 3.43Å; S187-E330 PolarHBondContact OG-OE1 2.7Å; S190-E330 WeakPolarHBondContact CB-O 3.32Å; E330-I334 HydrophobicContact CB-CD1 4.33Å
331	D	91.4	Very high	93.4	Very high	67 Å²	67	53.4 Å²	53.4	36%	0.358	27%	0.269	S	S	.	.	S	Bend	trans	-136.7	177.7	171.3	77.9	22.7	0	0	0	112.9	G329 Y333 I334 T335	G329-D331 PolarHBondContact O-N 2.66Å; D331-Y333 VanDerWaalsContact C-N 3.31Å; D331-Y333 PolarHBondContact O-N 3.19Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.33Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.4Å; D331-Y333 PolarHBondContact OD1-N 3.05Å; D331-I334 PolarHBondContact OD1-N 2.81Å; D331-T335 WeakPolarHBondContact O-CB 3.48Å; D331-T335 PolarHBondContact O-N 2.92Å; D331-T335 PolarHBondContact O-OG1 3.36Å
332	K	90.3	Very high	93.2	Very high	125 Å²	125	54.1 Å²	54.1	54%	0.543	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-30.9	-179.8	-156.5	-148.3	177.1	-156.6	0	113	P291 M336	P291-K332 HydrophobicContact CB-CD 4.49Å; P291-K332 HydrophobicContact CB-CG 3.8Å; P291-K332 HydrophobicContact CG-CD 4.28Å; P291-K332 HydrophobicContact CG-CG 3.89Å; K332-M336 HydrophobicContact CD-CE 3.91Å; K332-M336 HydrophobicContact CD-SD 4.24Å; K332-M336 HydrophobicContact CG-CE 4.22Å; K332-M336 WeakPolarHBondContact O-CE 3.21Å; K332-M336 VanDerWaalsContact O-CG 3.27Å; K332-M336 WeakPolarHBondContact O-CG 3.27Å; K332-M336 PolarHBondContact O-N 2.64Å
333	Y	92.4	Very high	93.1	Very high	145 Å²	145	59.7 Å²	59.7	57%	0.569	31%	0.311	S	S	*	.	H	α-helix	trans	-73.2	-48.1	-179	175.8	-98.2	0	0	0	110.6	D331 T335 M336 Q337	D331-Y333 VanDerWaalsContact C-N 3.31Å; D331-Y333 PolarHBondContact O-N 3.19Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.33Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.4Å; D331-Y333 PolarHBondContact OD1-N 3.05Å; Y333-T335 VanDerWaalsContact C-N 3.3Å; Y333-T335 PolarHBondContact O-N 3.4Å; Y333-M336 PolarHBondContact O-N 3.05Å; Y333-M336 VanDerWaalsContact O-N 3.14Å; Y333-Q337 HydrophobicContact CD1-CG 4.41Å; Y333-Q337 HydrophobicContact CE1-CG 4.07Å; Y333-Q337 VanDerWaalsContact CE1-OE1 3.28Å; Y333-Q337 WeakPolarHBondContact O-CG 3.4Å; Y333-Q337 PolarHBondContact O-N 2.97Å; Y333-Q337 PolarHBondContact OH-NE2 3.5Å
334	I	94.6	Very high	93.1	Very high	56 Å²	56	60.3 Å²	60.3	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-42.9	173.5	-61.2	173.8	0	0	0	110.1	E330 D331 M336 Q337 N338	E330-I334 HydrophobicContact CB-CD1 4.33Å; D331-I334 PolarHBondContact OD1-N 2.81Å; I334-M336 VanDerWaalsContact C-N 3.34Å; I334-M336 PolarHBondContact O-N 2.59Å; I334-Q337 PolarHBondContact O-N 3.07Å; I334-N338 VanDerWaalsContact O-CG 3.26Å; I334-N338 PolarHBondContact O-N 2.99Å
335	T	95.1	Very high	93.1	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-56.9	-45.7	174.5	-57.1	0	0	0	0	112.1	P291 D292 G329 D331 Y333 N338 I339	P291-T335 HydrophobicContact CB-CG2 4.48Å; D292-T335 HydrophobicContact CB-CG2 3.74Å; G329-T335 PolarHBondContact N-OG1 3.23Å; D331-T335 WeakPolarHBondContact O-CB 3.48Å; D331-T335 PolarHBondContact O-N 2.92Å; D331-T335 PolarHBondContact O-OG1 3.36Å; Y333-T335 VanDerWaalsContact C-N 3.3Å; Y333-T335 PolarHBondContact O-N 3.4Å; T335-N338 PolarHBondContact O-N 3.33Å; T335-I339 HydrophobicContact CG2-CD1 4.39Å; T335-I339 PolarHBondContact O-N 3.46Å; T335-I339 VanDerWaalsContact O-N 3.15Å
336	M	94.3	Very high	93.1	Very high	47 Å²	47	63.5 Å²	63.5	23%	0.232	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-36	177.3	-71.5	-179.1	-58.4	0	0	112.3	I299 K332 Y333 I334 I339 T340	I299-M336 HydrophobicContact CD1-CB 3.98Å; I299-M336 HydrophobicContact CD1-CG 3.9Å; I299-M336 HydrophobicContact CG1-CG 4.31Å; I299-M336 HydrophobicContact CG2-CB 4.24Å; I299-M336 HydrophobicContact CG2-CG 4.49Å; K332-M336 HydrophobicContact CD-CE 3.91Å; K332-M336 HydrophobicContact CD-SD 4.24Å; K332-M336 HydrophobicContact CG-CE 4.22Å; K332-M336 WeakPolarHBondContact O-CE 3.21Å; K332-M336 VanDerWaalsContact O-CG 3.27Å; K332-M336 WeakPolarHBondContact O-CG 3.27Å; K332-M336 PolarHBondContact O-N 2.64Å; Y333-M336 PolarHBondContact O-N 3.05Å; Y333-M336 VanDerWaalsContact O-N 3.14Å; I334-M336 VanDerWaalsContact C-N 3.34Å; I334-M336 PolarHBondContact O-N 2.59Å; M336-I339 PolarHBondContact O-N 3.48Å; M336-T340 PolarHBondContact O-N 3.02Å; M336-T340 PolarHBondContact O-OG1 3.36Å
337	Q	95	Very high	93	Very high	80 Å²	80	64.3 Å²	64.3	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-37.8	172.7	-71.1	-173.2	-53.6	0	0	112.7	Y333 I334 I339 T340 H341 G342	Y333-Q337 HydrophobicContact CD1-CG 4.41Å; Y333-Q337 HydrophobicContact CE1-CG 4.07Å; Y333-Q337 VanDerWaalsContact CE1-OE1 3.28Å; Y333-Q337 WeakPolarHBondContact O-CG 3.4Å; Y333-Q337 PolarHBondContact O-N 2.97Å; Y333-Q337 PolarHBondContact OH-NE2 3.5Å; I334-Q337 PolarHBondContact O-N 3.07Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 3.37Å; Q337-T340 PolarHBondContact O-N 2.89Å; Q337-T340 PolarHBondContact O-OG1 3.24Å; Q337-H341 PolarHBondContact O-N 3.03Å; Q337-G342 PolarHBondContact O-N 3.24Å
338	N	95.7	Very high	92.7	Very high	53 Å²	53	70.3 Å²	70.3	28%	0.283	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-41	175.2	-71.3	-18.1	0	0	0	111	F327 I334 T335 G342 R368	F327-N338 HydrophobicContact CB-CB 4.06Å; F327-N338 HydrophobicContact CD1-CB 4.21Å; F327-N338 VanDerWaalsContact O-CB 3.32Å; F327-N338 WeakPolarHBondContact O-CB 3.34Å; F327-N338 PolarHBondContact O-ND2 2.81Å; I334-N338 VanDerWaalsContact O-CG 3.26Å; I334-N338 PolarHBondContact O-N 2.99Å; T335-N338 PolarHBondContact O-N 3.33Å; N338-G342 WeakPolarHBondContact O-CA 3.34Å; N338-G342 PolarHBondContact O-N 2.92Å; N338-R368 PolarHBondContact O-NH2 3.07Å
339	I	95.8	Very high	92.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.6	-49.9	174.4	-68.9	159.7	0	0	0	111.4	P291 V294 P296 I299 W311 F327 T335 M336 Q337 R368	P291-I339 WeakPolarHBondContact O-CD1 3.4Å; V294-I339 WeakPolarHBondContact O-CD1 3.42Å; P296-I339 HydrophobicContact CB-CG2 3.99Å; I299-I339 HydrophobicContact CD1-CB 3.73Å; I299-I339 HydrophobicContact CD1-CD1 3.92Å; I299-I339 HydrophobicContact CD1-CG1 4.45Å; I299-I339 HydrophobicContact CD1-CG2 3.51Å; W311-I339 HydrophobicContact CH2-CG2 4.44Å; W311-I339 HydrophobicContact CZ2-CB 4.45Å; W311-I339 HydrophobicContact CZ2-CG1 4.43Å; W311-I339 HydrophobicContact CZ2-CG2 3.75Å; F327-I339 HydrophobicContact CB-CD1 4.44Å; F327-I339 HydrophobicContact CB-CG1 3.73Å; F327-I339 HydrophobicContact CD1-CG1 4.27Å; F327-I339 HydrophobicContact CD2-CG1 3.85Å; F327-I339 HydrophobicContact CG-CG1 3.69Å; T335-I339 HydrophobicContact CG2-CD1 4.39Å; T335-I339 PolarHBondContact O-N 3.46Å; T335-I339 VanDerWaalsContact O-N 3.15Å; M336-I339 PolarHBondContact O-N 3.48Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 3.37Å; I339-R368 PolarHBondContact O-NE 3.45Å; I339-R368 PolarHBondContact O-NH2 2.82Å
340	T	94.2	Very high	92.4	Very high	21 Å²	21	70.7 Å²	70.7	13%	0.129	37%	0.37	C	S	.	.	H	α-helix	trans	-74.1	-33.5	-175.1	58.8	0	0	0	0	113.4	I299 M336 Q337 R368	I299-T340 HydrophobicContact CB-CG2 4.07Å; I299-T340 HydrophobicContact CD1-CG2 4.23Å; I299-T340 HydrophobicContact CG2-CG2 3.72Å; M336-T340 PolarHBondContact O-N 3.02Å; M336-T340 PolarHBondContact O-OG1 3.36Å; Q337-T340 PolarHBondContact O-N 2.89Å; Q337-T340 PolarHBondContact O-OG1 3.24Å; T340-R368 PolarHBondContact O-NE 3.04Å
341	H	92.8	Very high	92.4	Very high	146 Å²	146	66 Å²	66	68%	0.676	35%	0.348	S	S	*	.	H	α-helix	trans	-133.8	-17.3	-170.5	-51.6	-48.9	0	0	0	115.9	Q337	Q337-H341 PolarHBondContact O-N 3.03Å
342	G	89.2	Confident	92.2	Very high	18 Å²	18	68.6 Å²	68.6	19%	0.186	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-66	145.3	-177.2	0	0	0	0	0	114.5	Q337 N338 R368	Q337-G342 PolarHBondContact O-N 3.24Å; N338-G342 WeakPolarHBondContact O-CA 3.34Å; N338-G342 PolarHBondContact O-N 2.92Å; G342-R368 VanDerWaalsContact N-NH2 3.19Å; G342-R368 VanDerWaalsContact O-CZ 3.28Å; G342-R368 PolarHBondContact O-NH1 3.42Å; G342-R368 PolarHBondContact O-NH2 2.96Å
343	T	90.1	Very high	91.9	Very high	126 Å²	126	67.7 Å²	67.7	77%	0.773	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-81.5	125.1	171.7	-56.9	0	0	0	0	109.5
344	I	92.2	Very high	91.8	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.169	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-72.1	129.9	172.1	-56.3	154.5	0	0	0	107.8	F327 Y346 L366	F327-I344 HydrophobicContact CE1-CD1 4.38Å; F327-I344 HydrophobicContact CE1-CG1 3.66Å; F327-I344 HydrophobicContact CZ-CD1 3.99Å; F327-I344 HydrophobicContact CZ-CG1 3.71Å; I344-Y346 HydrophobicContact CG2-CE1 4.37Å; I344-Y346 HydrophobicContact CG2-CE2 3.93Å; I344-L366 HydrophobicContact CD1-CB 3.49Å; I344-L366 VanDerWaalsContact CD1-CB 3.49Å; I344-L366 HydrophobicContact CD1-CD1 3.89Å; I344-L366 HydrophobicContact CD1-CG 4.34Å; I344-L366 HydrophobicContact CG1-CD1 4.46Å; I344-L366 HydrophobicContact CG2-CD1 4.45Å
345	T	93.2	Very high	91.7	Very high	89 Å²	89	61.1 Å²	61.1	55%	0.546	34%	0.337	S	S	.	.			trans	-115.8	152.4	178.6	56.5	0	0	0	0	110.8
346	Y	94.2	Very high	91.7	Very high	47 Å²	47	65.9 Å²	65.9	18%	0.184	37%	0.368	C	S	.	.			trans	-125.6	75.9	177.7	-58.6	-85.8	0	0	0	107.5	Y318 I344 F351 I359 I362 Q363	Y318-Y346 HydrophobicContact CD2-CE1 4.31Å; Y318-Y346 HydrophobicContact CE2-CD1 4.4Å; Y318-Y346 HydrophobicContact CE2-CE1 4.4Å; I344-Y346 HydrophobicContact CG2-CE1 4.37Å; I344-Y346 HydrophobicContact CG2-CE2 3.93Å; Y346-F351 HydrophobicContact CD1-CD1 4.21Å; Y346-F351 HydrophobicContact CD1-CD2 4.19Å; Y346-F351 AromaticContact CD1-CE1 3.9Å; Y346-F351 HydrophobicContact CD1-CE1 3.9Å; Y346-F351 AromaticContact CD1-CE2 3.87Å; Y346-F351 HydrophobicContact CD1-CE2 3.87Å; Y346-F351 HydrophobicContact CD1-CG 4.36Å; Y346-F351 AromaticContact CD1-CZ 3.73Å; Y346-F351 HydrophobicContact CD1-CZ 3.73Å; Y346-F351 HydrophobicContact CE1-CZ 4.34Å; Y346-I359 HydrophobicContact CD1-CG1 4.36Å; Y346-I359 HydrophobicContact CD1-CG2 3.88Å; Y346-I359 HydrophobicContact CD2-CG2 4.21Å; Y346-I359 HydrophobicContact CE1-CG2 4Å; Y346-I359 HydrophobicContact CE2-CG2 4.33Å; Y346-I359 HydrophobicContact CG-CG2 4Å; Y346-I362 HydrophobicContact CE1-CB 4.25Å; Y346-I362 HydrophobicContact CE1-CD1 4.19Å; Y346-I362 HydrophobicContact CE1-CG2 4.05Å; Y346-I362 WeakPolarHBondContact OH-CG2 3.2Å; Y346-Q363 HydrophobicContact CE2-CG 3.86Å; Y346-Q363 VanDerWaalsContact OH-CG 3.29Å; Y346-Q363 WeakPolarHBondContact OH-CG 3.32Å
347	P	92.4	Very high	91.8	Very high	46 Å²	46	66 Å²	66	30%	0.299	37%	0.37	S	S	.	.			trans	-70.2	140.7	-174.4	29.2	-35.2	0	0	0	111	S349 L350 F351	P347-S349 PolarHBondContact O-N 3.39Å; P347-S349 VanDerWaalsContact O-N 3.1Å; P347-L350 HydrophobicContact CG-CB 4.23Å; P347-L350 HydrophobicContact CG-CD1 3.8Å; P347-L350 HydrophobicContact CG-CG 4.01Å; P347-L350 PolarHBondContact O-N 3.49Å; P347-F351 PolarHBondContact O-N 3.19Å
348	D	89.2	Confident	91.9	Very high	130 Å²	130	62.2 Å²	62.2	70%	0.695	35%	0.352	S	S	*	.	H	α-helix	trans	-54.6	-34.2	-178.1	-53.4	-37.8	0	0	0	112.3	L350 F351 N352	D348-L350 PolarHBondContact O-N 3.29Å; D348-L350 VanDerWaalsContact O-N 3.09Å; D348-F351 PolarHBondContact O-N 2.67Å; D348-N352 HydrophobicContact CB-CB 4.42Å; D348-N352 WeakPolarHBondContact O-CB 3.14Å; D348-N352 PolarHBondContact O-N 2.83Å
349	S	88.3	Confident	91.9	Very high	104 Å²	104	61.4 Å²	61.4	73%	0.727	35%	0.347	S	S	*	.	H	α-helix	trans	-61.7	-14.3	175.9	55.7	0	0	0	0	115.3	P347	P347-S349 PolarHBondContact O-N 3.39Å; P347-S349 VanDerWaalsContact O-N 3.1Å
350	L	88.9	Confident	92	Very high	38 Å²	38	63.5 Å²	63.5	20%	0.199	36%	0.358	C	S	.	.	H	α-helix	trans	-117.8	-25.9	174.7	-58.1	178.7	0	0	0	112.8	T322 I324 P347 D348	T322-L350 HydrophobicContact CG2-CB 3.95Å; T322-L350 HydrophobicContact CG2-CD1 4.32Å; I324-L350 HydrophobicContact CD1-CD1 3.98Å; I324-L350 HydrophobicContact CD1-CD2 3.96Å; P347-L350 HydrophobicContact CG-CB 4.23Å; P347-L350 HydrophobicContact CG-CD1 3.8Å; P347-L350 HydrophobicContact CG-CG 4.01Å; P347-L350 PolarHBondContact O-N 3.49Å; D348-L350 PolarHBondContact O-N 3.29Å; D348-L350 VanDerWaalsContact O-N 3.09Å
351	F	91.3	Very high	92.2	Very high	10 Å²	10	62.5 Å²	62.5	4%	0.044	35%	0.352	C	S	.	.	H	α-helix	trans	-116.5	-7	-170.2	-74.5	-84.1	0	0	0	115.8	Y318 T322 Y346 P347 D348 N353 R354 I359 I362	Y318-F351 HydrophobicContact CD2-CE2 4.23Å; Y318-F351 AromaticContact CD2-CZ 3.71Å; Y318-F351 HydrophobicContact CD2-CZ 3.71Å; Y318-F351 AromaticContact CE2-CE2 3.55Å; Y318-F351 HydrophobicContact CE2-CE2 3.55Å; Y318-F351 AromaticContact CE2-CZ 3.53Å; Y318-F351 HydrophobicContact CE2-CZ 3.53Å; Y318-F351 HydrophobicContact CG-CZ 4.38Å; Y318-F351 AromaticContact CZ-CE2 3.79Å; T322-F351 HydrophobicContact CG2-CD2 4.47Å; T322-F351 HydrophobicContact CG2-CE1 4.28Å; T322-F351 HydrophobicContact CG2-CE2 3.66Å; T322-F351 HydrophobicContact CG2-CZ 3.54Å; Y346-F351 HydrophobicContact CD1-CD1 4.21Å; Y346-F351 HydrophobicContact CD1-CD2 4.19Å; Y346-F351 AromaticContact CD1-CE1 3.9Å; Y346-F351 HydrophobicContact CD1-CE1 3.9Å; Y346-F351 AromaticContact CD1-CE2 3.87Å; Y346-F351 HydrophobicContact CD1-CE2 3.87Å; Y346-F351 HydrophobicContact CD1-CG 4.36Å; Y346-F351 AromaticContact CD1-CZ 3.73Å; Y346-F351 HydrophobicContact CD1-CZ 3.73Å; Y346-F351 HydrophobicContact CE1-CZ 4.34Å; P347-F351 PolarHBondContact O-N 3.19Å; D348-F351 PolarHBondContact O-N 2.67Å; F351-N353 PolarHBondContact O-N 2.89Å; F351-R354 HydrophobicContact CD1-CB 4.03Å; F351-R354 HydrophobicContact CD1-CG 4.13Å; F351-R354 WeakPolarHBondContact O-CB 3.33Å; F351-R354 PolarHBondContact O-N 3.01Å; F351-I359 HydrophobicContact CB-CD1 4.21Å; F351-I359 HydrophobicContact CD1-CD1 4.05Å; F351-I359 HydrophobicContact CD1-CG1 3.79Å; F351-I359 HydrophobicContact CE1-CG1 4.3Å; F351-I359 HydrophobicContact CG-CD1 4.42Å; F351-I362 HydrophobicContact CE1-CD1 4.07Å; F351-I362 HydrophobicContact CZ-CD1 4.36Å
352	N	86.4	Confident	92.5	Very high	122 Å²	122	55.6 Å²	55.6	65%	0.652	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.4	178.5	178.3	88.8	0	0	0	113.3	D348 R354	D348-N352 HydrophobicContact CB-CB 4.42Å; D348-N352 WeakPolarHBondContact O-CB 3.14Å; D348-N352 PolarHBondContact O-N 2.83Å; N352-R354 VanDerWaalsContact C-N 3.33Å
353	N	84.5	Confident	92.9	Very high	107 Å²	107	58.9 Å²	58.9	57%	0.572	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	14.9	176.6	-65.7	15.7	0	0	0	112.4	D219 F351	D219-N353 PolarHBondContact OD1-ND2 3.17Å; F351-N353 PolarHBondContact O-N 2.89Å
354	R	90.9	Very high	93.3	Very high	39 Å²	39	58.1 Å²	58.1	15%	0.147	31%	0.314	C	S	.	.	S	Bend	trans	-115.7	148.9	-176.7	-57.7	-55.1	-169.9	-179.5	2.7	112	Y179 L221 E223 L321 F351 N352	Y179-R354 PolarHBondContact OH-NH2 3.38Å; L221-R354 PolarHBondContact O-NH1 3.35Å; L221-R354 PolarHBondContact O-NH2 2.53Å; E223-R354 WeakPolarHBondContact OE1-CA 3.37Å; E223-R354 WeakPolarHBondContact OE1-CB 3.14Å; E223-R354 WeakPolarHBondContact OE1-CD 3.37Å; L321-R354 PolarHBondContact O-NE 3.38Å; L321-R354 PolarHBondContact O-NH2 3.1Å; F351-R354 HydrophobicContact CD1-CB 4.03Å; F351-R354 HydrophobicContact CD1-CG 4.13Å; F351-R354 WeakPolarHBondContact O-CB 3.33Å; F351-R354 PolarHBondContact O-N 3.01Å; N352-R354 VanDerWaalsContact C-N 3.33Å
355	S	93	Very high	93.6	Very high	24 Å²	24	56.6 Å²	56.6	17%	0.168	31%	0.306	C	S	.	.			trans	-73.6	145.1	-176.1	66.7	0	0	0	0	112	E223 D357 S358 I359 W384	E223-S355 PolarHBondContact OE1-N 3.33Å; E223-S355 WeakPolarHBondContact OE2-CB 3.29Å; E223-S355 PolarHBondContact OE2-OG 3.07Å; S355-D357 PolarHBondContact O-N 2.85Å; S355-S358 WeakPolarHBondContact O-CB 3.12Å; S355-S358 PolarHBondContact O-N 3.47Å; S355-S358 PolarHBondContact O-OG 2.78Å; S355-S358 WeakPolarHBondContact OG-CB 3.43Å; S355-S358 PolarHBondContact OG-N 2.77Å; S355-I359 PolarHBondContact O-N 3.06Å; S355-W384 PolarHBondContact OG-NE1 3.27Å
356	P	94.6	Very high	93.8	Very high	103 Å²	103	52.7 Å²	52.7	67%	0.669	28%	0.282	S	S	*	.	H	α-helix	trans	-56.1	-36.1	172.3	-26.3	35.4	0	0	0	112.7	S358 I359 D360	P356-S358 VanDerWaalsContact C-N 3.3Å; P356-S358 PolarHBondContact O-N 2.75Å; P356-I359 WeakPolarHBondContact O-CB 3.15Å; P356-I359 PolarHBondContact O-N 2.75Å; P356-I359 VanDerWaalsContact O-N 3.1Å; P356-D360 PolarHBondContact O-N 3.42Å
357	D	96.2	Very high	93.9	Very high	51 Å²	51	54.3 Å²	54.3	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-57.6	-37.2	173.9	-80.4	26.9	0	0	0	113	S355 F361 H382 W384 Q387	S355-D357 PolarHBondContact O-N 2.85Å; D357-F361 WeakPolarHBondContact O-CB 3.33Å; D357-F361 PolarHBondContact O-N 3.17Å; D357-H382 PolarHBondContact O-CE1 3.38Å; D357-W384 HydrophobicContact CB-CB 3.8Å; D357-W384 HydrophobicContact CB-CG 4.02Å; D357-Q387 PolarHBondContact OD2-NE2 2.98Å
358	S	96.1	Very high	94.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-36.6	174.8	77.5	0	0	0	0	112.2	S355 P356 I362 W384	S355-S358 WeakPolarHBondContact O-CB 3.12Å; S355-S358 PolarHBondContact O-N 3.47Å; S355-S358 PolarHBondContact O-OG 2.78Å; S355-S358 WeakPolarHBondContact OG-CB 3.43Å; S355-S358 PolarHBondContact OG-N 2.77Å; P356-S358 VanDerWaalsContact C-N 3.3Å; P356-S358 PolarHBondContact O-N 2.75Å; S358-I362 WeakPolarHBondContact O-CG1 3.43Å; S358-I362 PolarHBondContact O-N 2.89Å; S358-I362 VanDerWaalsContact O-N 3.16Å; S358-W384 VanDerWaalsContact CB-CE2 3.43Å
359	I	96.8	Very high	94.4	Very high	35 Å²	35	52.9 Å²	52.9	18%	0.179	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-45.3	179.5	-62.4	173.2	0	0	0	109.8	Y346 F351 S355 P356 F361 I362 Q363	Y346-I359 HydrophobicContact CD1-CG1 4.36Å; Y346-I359 HydrophobicContact CD1-CG2 3.88Å; Y346-I359 HydrophobicContact CD2-CG2 4.21Å; Y346-I359 HydrophobicContact CE1-CG2 4Å; Y346-I359 HydrophobicContact CE2-CG2 4.33Å; Y346-I359 HydrophobicContact CG-CG2 4Å; F351-I359 HydrophobicContact CB-CD1 4.21Å; F351-I359 HydrophobicContact CD1-CD1 4.05Å; F351-I359 HydrophobicContact CD1-CG1 3.79Å; F351-I359 HydrophobicContact CE1-CG1 4.3Å; F351-I359 HydrophobicContact CG-CD1 4.42Å; S355-I359 PolarHBondContact O-N 3.06Å; P356-I359 WeakPolarHBondContact O-CB 3.15Å; P356-I359 PolarHBondContact O-N 2.75Å; P356-I359 VanDerWaalsContact O-N 3.1Å; I359-F361 VanDerWaalsContact C-N 3.32Å; I359-F361 PolarHBondContact O-N 2.98Å; I359-I362 PolarHBondContact O-N 3.45Å; I359-Q363 HydrophobicContact CG2-CG 4.36Å; I359-Q363 VanDerWaalsContact CG2-NE2 3.33Å; I359-Q363 WeakPolarHBondContact O-CB 3.5Å; I359-Q363 VanDerWaalsContact O-CG 3.29Å; I359-Q363 WeakPolarHBondContact O-CG 3.49Å; I359-Q363 PolarHBondContact O-N 2.74Å
360	D	97.8	Very high	94.8	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-42.7	174	-175	34.3	0	0	0	111.5	P356 I362 Q363 R364 H382	P356-D360 PolarHBondContact O-N 3.42Å; D360-I362 PolarHBondContact O-N 2.95Å; D360-Q363 PolarHBondContact O-N 3.38Å; D360-R364 VanDerWaalsContact CG-NE 3.25Å; D360-R364 VanDerWaalsContact CG-NH2 3.29Å; D360-R364 WeakPolarHBondContact O-CB 3.48Å; D360-R364 WeakPolarHBondContact O-CG 3.38Å; D360-R364 PolarHBondContact O-N 3.23Å; D360-R364 IonicContact OD1-CZ 3.8Å; D360-R364 IonicContact OD1-NE 2.68Å; D360-R364 PolarHBondContact OD1-NE 3.12Å; D360-R364 IonicContact OD1-NH2 3.13Å; D360-R364 PolarHBondContact OD1-NH2 3.43Å; D360-R364 VanDerWaalsContact OD1-NH2 3.14Å; D360-R364 IonicContact OD2-CZ 2.73Å; D360-R364 IonicContact OD2-NE 2.69Å; D360-R364 PolarHBondContact OD2-NE 3.27Å; D360-R364 IonicContact OD2-NH2 3.38Å; D360-R364 PolarHBondContact OD2-NH2 2.9Å; D360-H382 IonicContact OD2-CE1 2.67Å; D360-H382 IonicContact OD2-NE2 2.62Å; D360-H382 PolarHBondContact OD2-NE2 2.81Å
361	F	98.2	Very high	95.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-45.1	175.4	-175.8	-90.5	0	0	0	112.6	L230 L234 T317 D357 I359 L365 M374 C379 H382 W384 L385	L230-F361 HydrophobicContact CD1-CE1 4.26Å; L234-F361 HydrophobicContact CD1-CZ 4.21Å; T317-F361 HydrophobicContact CG2-CD1 3.91Å; T317-F361 HydrophobicContact CG2-CE1 4.08Å; D357-F361 WeakPolarHBondContact O-CB 3.33Å; D357-F361 PolarHBondContact O-N 3.17Å; I359-F361 VanDerWaalsContact C-N 3.32Å; I359-F361 PolarHBondContact O-N 2.98Å; F361-L365 HydrophobicContact CD1-CD1 3.87Å; F361-L365 HydrophobicContact CE1-CD1 3.39Å; F361-L365 HydrophobicContact CZ-CD1 3.84Å; F361-L365 WeakPolarHBondContact O-CG 3.37Å; F361-L365 PolarHBondContact O-N 3.14Å; F361-M374 HydrophobicContact CD2-CE 4.08Å; F361-M374 HydrophobicContact CE2-CE 4.37Å; F361-C379 HydrophobicContact CE2-CB 3.81Å; F361-C379 HydrophobicContact CZ-CB 4.08Å; F361-H382 HydrophobicContact CD2-CB 3.82Å; F361-H382 AromaticContact CD2-CG 3.65Å; F361-H382 AromaticContact CD2-ND1 3.68Å; F361-H382 HydrophobicContact CE2-CB 4.19Å; F361-W384 HydrophobicContact CB-CD2 4.49Å; F361-W384 HydrophobicContact CB-CE3 3.85Å; F361-W384 HydrophobicContact CB-CZ3 4.43Å; F361-W384 AromaticContact CD1-CE3 3.81Å; F361-W384 HydrophobicContact CD1-CE3 3.81Å; F361-W384 AromaticContact CD1-CZ3 3.69Å; F361-W384 HydrophobicContact CD1-CZ3 3.69Å; F361-W384 AromaticContact CD2-CE3 3.97Å; F361-W384 HydrophobicContact CD2-CE3 3.97Å; F361-W384 HydrophobicContact CE1-CE3 4.3Å; F361-W384 HydrophobicContact CE1-CZ3 4Å; F361-W384 HydrophobicContact CE2-CE3 4.45Å; F361-W384 AromaticContact CG-CE3 3.61Å; F361-W384 HydrophobicContact CG-CE3 3.61Å; F361-W384 HydrophobicContact CG-CZ3 4.01Å; F361-L385 HydrophobicContact CE2-CD1 3.97Å; F361-L385 HydrophobicContact CE2-CG 4.14Å; F361-L385 HydrophobicContact CZ-CD1 4.29Å
362	I	98.2	Very high	95.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-45.9	175.2	-62	162.7	0	0	0	110.6	T317 Y318 L321 Y346 F351 S358 I359 D360 R364 L365 L366	T317-I362 HydrophobicContact CG2-CD1 4.4Å; T317-I362 HydrophobicContact CG2-CG1 3.84Å; Y318-I362 HydrophobicContact CD2-CD1 4.36Å; L321-I362 HydrophobicContact CD1-CD1 3.9Å; Y346-I362 HydrophobicContact CE1-CB 4.25Å; Y346-I362 HydrophobicContact CE1-CD1 4.19Å; Y346-I362 HydrophobicContact CE1-CG2 4.05Å; Y346-I362 WeakPolarHBondContact OH-CG2 3.2Å; F351-I362 HydrophobicContact CE1-CD1 4.07Å; F351-I362 HydrophobicContact CZ-CD1 4.36Å; S358-I362 WeakPolarHBondContact O-CG1 3.43Å; S358-I362 PolarHBondContact O-N 2.89Å; S358-I362 VanDerWaalsContact O-N 3.16Å; I359-I362 PolarHBondContact O-N 3.45Å; D360-I362 PolarHBondContact O-N 2.95Å; I362-R364 VanDerWaalsContact C-N 3.28Å; I362-R364 PolarHBondContact O-N 3.02Å; I362-L365 PolarHBondContact O-N 2.94Å; I362-L366 HydrophobicContact CG2-CD1 3.55Å; I362-L366 HydrophobicContact CG2-CG 4Å; I362-L366 PolarHBondContact O-N 3.1Å
363	Q	97.9	Very high	96.1	Very high	87 Å²	87	54.2 Å²	54.2	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-36.6	-178.2	-73.9	179.7	11.6	0	0	112.4	Y346 I359 D360 L365 Q367	Y346-Q363 HydrophobicContact CE2-CG 3.86Å; Y346-Q363 VanDerWaalsContact OH-CG 3.29Å; Y346-Q363 WeakPolarHBondContact OH-CG 3.32Å; I359-Q363 HydrophobicContact CG2-CG 4.36Å; I359-Q363 VanDerWaalsContact CG2-NE2 3.33Å; I359-Q363 WeakPolarHBondContact O-CB 3.5Å; I359-Q363 VanDerWaalsContact O-CG 3.29Å; I359-Q363 WeakPolarHBondContact O-CG 3.49Å; I359-Q363 PolarHBondContact O-N 2.74Å; D360-Q363 PolarHBondContact O-N 3.38Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; Q363-Q367 PolarHBondContact O-NE2 2.95Å
364	R	98.2	Very high	96.7	Very high	111 Å²	111	50.2 Å²	50.2	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-76.9	-13.4	176	-68.2	179	-164	-149.8	10.4	114.5	D360 I362 R373 M374	D360-R364 VanDerWaalsContact CG-NE 3.25Å; D360-R364 VanDerWaalsContact CG-NH2 3.29Å; D360-R364 WeakPolarHBondContact O-CB 3.48Å; D360-R364 WeakPolarHBondContact O-CG 3.38Å; D360-R364 PolarHBondContact O-N 3.23Å; D360-R364 IonicContact OD1-CZ 3.8Å; D360-R364 IonicContact OD1-NE 2.68Å; D360-R364 PolarHBondContact OD1-NE 3.12Å; D360-R364 IonicContact OD1-NH2 3.13Å; D360-R364 PolarHBondContact OD1-NH2 3.43Å; D360-R364 VanDerWaalsContact OD1-NH2 3.14Å; D360-R364 IonicContact OD2-CZ 2.73Å; D360-R364 IonicContact OD2-NE 2.69Å; D360-R364 PolarHBondContact OD2-NE 3.27Å; D360-R364 IonicContact OD2-NH2 3.38Å; D360-R364 PolarHBondContact OD2-NH2 2.9Å; I362-R364 VanDerWaalsContact C-N 3.28Å; I362-R364 PolarHBondContact O-N 3.02Å; R364-R373 WeakPolarHBondContact O-CA 3.39Å; R364-M374 HydrophobicContact CB-CE 3.48Å; R364-M374 VanDerWaalsContact CB-CE 3.48Å; R364-M374 HydrophobicContact CB-CG 3.97Å; R364-M374 HydrophobicContact CB-SD 3.77Å; R364-M374 HydrophobicContact CG-CE 4.46Å; R364-M374 HydrophobicContact CG-SD 4.36Å; R364-M374 PolarHBondContact O-N 2.87Å
365	L	98.5	Very high	97.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-96.6	-41.1	174.8	-76.9	176.7	0	0	0	112.9	M310 V313 F361 I362 Q363 Q367 R373 M374	M310-L365 HydrophobicContact CB-CD2 4.04Å; M310-L365 HydrophobicContact CE-CD2 3.72Å; V313-L365 HydrophobicContact CB-CD1 4.39Å; V313-L365 HydrophobicContact CG1-CD1 3.96Å; F361-L365 HydrophobicContact CD1-CD1 3.87Å; F361-L365 HydrophobicContact CE1-CD1 3.39Å; F361-L365 HydrophobicContact CZ-CD1 3.84Å; F361-L365 WeakPolarHBondContact O-CG 3.37Å; F361-L365 PolarHBondContact O-N 3.14Å; I362-L365 PolarHBondContact O-N 2.94Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.11Å; L365-R373 WeakPolarHBondContact O-CD 3.39Å; L365-R373 WeakPolarHBondContact O-CG 3.29Å; L365-M374 HydrophobicContact CD2-CB 4.36Å; L365-M374 HydrophobicContact CG-CE 4.22Å
366	L	98	Very high	97.3	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.037	26%	0.258	C	S	.	.	S	Bend	trans	-82.9	36.1	-179.2	-63	-176.2	0	0	0	113.4	W311 V315 F327 I344 I362	W311-L366 HydrophobicContact CD2-CD2 3.91Å; W311-L366 HydrophobicContact CE3-CD2 4.05Å; W311-L366 HydrophobicContact CG-CD2 4.37Å; W311-L366 HydrophobicContact CH2-CD2 4.48Å; W311-L366 HydrophobicContact CZ2-CD2 4.34Å; W311-L366 HydrophobicContact CZ3-CB 4.25Å; W311-L366 HydrophobicContact CZ3-CD2 4.34Å; W311-L366 WeakPolarHBondContact CZ3-O 3.44Å; W311-L366 WeakPolarHBondContact O-CD2 3.23Å; V315-L366 HydrophobicContact CG2-CD2 3.85Å; F327-L366 HydrophobicContact CE2-CD1 4.25Å; F327-L366 HydrophobicContact CE2-CD2 4.2Å; F327-L366 HydrophobicContact CZ-CD1 4.21Å; I344-L366 HydrophobicContact CD1-CB 3.49Å; I344-L366 VanDerWaalsContact CD1-CB 3.49Å; I344-L366 HydrophobicContact CD1-CD1 3.89Å; I344-L366 HydrophobicContact CD1-CG 4.34Å; I344-L366 HydrophobicContact CG1-CD1 4.46Å; I344-L366 HydrophobicContact CG2-CD1 4.45Å; I362-L366 HydrophobicContact CG2-CD1 3.55Å; I362-L366 HydrophobicContact CG2-CG 4Å; I362-L366 PolarHBondContact O-N 3.1Å
367	Q	97.4	Very high	97.4	Very high	81 Å²	81	50.5 Å²	50.5	38%	0.379	25%	0.251	S	S	.	.			trans	-76.3	132.9	172.4	-68.5	-62.3	-35.7	0	0	110.8	Q363 L365 S369 Q372 R373	Q363-Q367 PolarHBondContact O-NE2 2.95Å; L365-Q367 PolarHBondContact O-N 3.11Å; Q367-S369 PolarHBondContact O-N 3.19Å; Q367-Q372 HydrophobicContact CB-CB 3.96Å; Q367-Q372 HydrophobicContact CG-CB 4.18Å; Q367-R373 HydrophobicContact CB-CG 3.91Å; Q367-R373 PolarHBondContact O-NE 2.85Å; Q367-R373 PolarHBondContact O-NH2 2.98Å
368	R	95.6	Very high	97.5	Very high	95 Å²	95	53.2 Å²	53.2	36%	0.358	26%	0.262	S	S	.	.	S	Bend	trans	-63.8	-43	-178	-78.2	-177.9	157.1	87.8	20.1	112.5	N338 I339 T340 G342 P370 R373	N338-R368 PolarHBondContact O-NH2 3.07Å; I339-R368 PolarHBondContact O-NE 3.45Å; I339-R368 PolarHBondContact O-NH2 2.82Å; T340-R368 PolarHBondContact O-NE 3.04Å; G342-R368 VanDerWaalsContact N-NH2 3.19Å; G342-R368 VanDerWaalsContact O-CZ 3.28Å; G342-R368 PolarHBondContact O-NH1 3.42Å; G342-R368 PolarHBondContact O-NH2 2.96Å; R368-P370 WeakPolarHBondContact O-CD 3.27Å; R368-R373 PolarHBondContact O-NH2 3.09Å; R368-R373 VanDerWaalsContact O-NH2 3.1Å
369	S	96.2	Very high	97.6	Very high	52 Å²	52	53.2 Å²	53.2	36%	0.364	26%	0.262	S	S	.	.	S	Bend	trans	-74.9	125.5	172.1	-172.7	0	0	0	0	110.8	Q367 T371 Q372	Q367-S369 PolarHBondContact O-N 3.19Å; S369-T371 PolarHBondContact O-N 2.88Å; S369-T371 VanDerWaalsContact O-N 3.16Å; S369-T371 PolarHBondContact OG-N 2.81Å; S369-T371 PolarHBondContact OG-OG1 2.98Å; S369-Q372 PolarHBondContact O-N 3.11Å
370	P	96.8	Very high	97.5	Very high	35 Å²	35	53.3 Å²	53.3	23%	0.227	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-57.3	-29.5	174.3	-24.1	34	0	0	0	113.1	E297 A307 R368 Q372 R373	E297-P370 HydrophobicContact CB-CG 4.23Å; E297-P370 HydrophobicContact CG-CG 4.23Å; A307-P370 HydrophobicContact CB-CB 3.97Å; A307-P370 WeakPolarHBondContact CB-O 3.11Å; R368-P370 WeakPolarHBondContact O-CD 3.27Å; P370-Q372 PolarHBondContact O-N 3.39Å; P370-R373 PolarHBondContact O-N 3.43Å
371	T	96.7	Very high	97.5	Very high	116 Å²	116	56.3 Å²	56.3	71%	0.712	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-75.5	-0.5	179	61.9	0	0	0	0	114.7	S369	S369-T371 PolarHBondContact O-N 2.88Å; S369-T371 VanDerWaalsContact O-N 3.16Å; S369-T371 PolarHBondContact OG-N 2.81Å; S369-T371 PolarHBondContact OG-OG1 2.98Å
372	Q	97.5	Very high	97.4	Very high	134 Å²	134	56.5 Å²	56.5	63%	0.626	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-115.4	-1.1	177.5	-60.8	-65.5	-86.1	0	0	112.4	Q367 S369 P370	Q367-Q372 HydrophobicContact CB-CB 3.96Å; Q367-Q372 HydrophobicContact CG-CB 4.18Å; S369-Q372 PolarHBondContact O-N 3.11Å; P370-Q372 PolarHBondContact O-N 3.39Å
373	R	98.1	Very high	97.3	Very high	17 Å²	17	59.9 Å²	59.9	6%	0.064	30%	0.302	C	S	.	.	S	Bend	trans	-82.8	144.2	175.7	-57.9	-178.7	-163.5	140.5	10.9	110.1	E297 A307 R364 L365 Q367 R368 P370	E297-R373 VanDerWaalsContact CD-NH1 3.33Å; E297-R373 IonicContact OE1-CZ 3.37Å; E297-R373 IonicContact OE1-NH1 3.15Å; E297-R373 PolarHBondContact OE1-NH1 2.59Å; E297-R373 IonicContact OE1-NH2 2.7Å; E297-R373 IonicContact OE2-CZ 3.54Å; E297-R373 IonicContact OE2-NH1 3.19Å; E297-R373 PolarHBondContact OE2-NH1 3.17Å; E297-R373 VanDerWaalsContact OE2-NH1 3.13Å; E297-R373 IonicContact OE2-NH2 3.24Å; E297-R373 PolarHBondContact OE2-NH2 3.16Å; A307-R373 HydrophobicContact CB-CB 4.36Å; A307-R373 WeakPolarHBondContact O-CD 3.29Å; A307-R373 PolarHBondContact O-NH1 3.18Å; R364-R373 WeakPolarHBondContact O-CA 3.39Å; L365-R373 WeakPolarHBondContact O-CD 3.39Å; L365-R373 WeakPolarHBondContact O-CG 3.29Å; Q367-R373 HydrophobicContact CB-CG 3.91Å; Q367-R373 PolarHBondContact O-NE 2.85Å; Q367-R373 PolarHBondContact O-NH2 2.98Å; R368-R373 PolarHBondContact O-NH2 3.09Å; R368-R373 VanDerWaalsContact O-NH2 3.1Å; P370-R373 PolarHBondContact O-N 3.43Å
374	M	98.1	Very high	97.2	Very high	22 Å²	22	55.7 Å²	55.7	11%	0.108	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-62	137.5	165.7	-66.3	-175.9	-54.3	0	0	110.7	M310 F361 R364 L365 E378	M310-M374 WeakPolarHBondContact CG-O 3.35Å; F361-M374 HydrophobicContact CD2-CE 4.08Å; F361-M374 HydrophobicContact CE2-CE 4.37Å; R364-M374 HydrophobicContact CB-CE 3.48Å; R364-M374 VanDerWaalsContact CB-CE 3.48Å; R364-M374 HydrophobicContact CB-CG 3.97Å; R364-M374 HydrophobicContact CB-SD 3.77Å; R364-M374 HydrophobicContact CG-CE 4.46Å; R364-M374 HydrophobicContact CG-SD 4.36Å; R364-M374 PolarHBondContact O-N 2.87Å; L365-M374 HydrophobicContact CD2-CB 4.36Å; L365-M374 HydrophobicContact CG-CE 4.22Å; M374-E378 HydrophobicContact CB-CB 4.02Å; M374-E378 HydrophobicContact CG-CB 4.3Å
375	S	98.4	Very high	97	Very high	48 Å²	48	50.7 Å²	50.7	34%	0.336	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-69.9	160.9	163.4	65.8	0	0	0	0	111.1	K377 E378 C379	S375-K377 PolarHBondContact O-N 2.89Å; S375-E378 VanDerWaalsContact CB-OE2 3.23Å; S375-E378 WeakPolarHBondContact CB-OE2 3.42Å; S375-E378 PolarHBondContact N-OE2 2.59Å; S375-E378 PolarHBondContact O-N 3.05Å; S375-E378 PolarHBondContact OG-N 3.16Å; S375-E378 PolarHBondContact OG-OE2 3.43Å; S375-C379 PolarHBondContact O-N 3.09Å; S375-C379 PolarHBondContact O-SG 2.91Å; S375-C379 VanDerWaalsContact O-SG 3.33Å
376	A	98	Very high	96.6	Very high	2 Å²	2	56 Å²	56	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-55.1	-31.1	177.6	0	0	0	0	0	113.1	L234 L237 V238 M310 L380	L234-A376 HydrophobicContact CD2-CB 4.05Å; L237-A376 HydrophobicContact CB-CB 3.84Å; V238-A376 HydrophobicContact CG2-CB 3.65Å; M310-A376 HydrophobicContact CE-CB 4.07Å; M310-A376 HydrophobicContact SD-CB 3.73Å; M310-A376 PolarHBondContact SD-N 3.29Å; A376-L380 WeakPolarHBondContact O-CG 3.32Å; A376-L380 PolarHBondContact O-N 2.7Å
377	K	96.6	Very high	95.6	Very high	122 Å²	122	59.1 Å²	59.1	53%	0.53	31%	0.306	S	S	.	.	H	α-helix	trans	-73	-35.9	176.9	-172.2	176.9	-179.7	178.5	0	113	V238 S375 N381	V238-K377 HydrophobicContact CG2-CB 4.02Å; S375-K377 PolarHBondContact O-N 2.89Å; K377-N381 PolarHBondContact O-ND2 3.2Å
378	E	97.9	Very high	93.6	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-71.9	-38.3	174.3	-72.1	157.6	129.3	0	0	110.8	M374 S375 L380 N381 H382	M374-E378 HydrophobicContact CB-CB 4.02Å; M374-E378 HydrophobicContact CG-CB 4.3Å; S375-E378 VanDerWaalsContact CB-OE2 3.23Å; S375-E378 WeakPolarHBondContact CB-OE2 3.42Å; S375-E378 PolarHBondContact N-OE2 2.59Å; S375-E378 PolarHBondContact O-N 3.05Å; S375-E378 PolarHBondContact OG-N 3.16Å; S375-E378 PolarHBondContact OG-OE2 3.43Å; E378-L380 VanDerWaalsContact C-N 3.33Å; E378-L380 PolarHBondContact O-N 2.84Å; E378-N381 CarbonylContact O-C 3.58Å; E378-N381 WeakPolarHBondContact O-CA 3.44Å; E378-N381 PolarHBondContact O-N 2.81Å; E378-H382 PolarHBondContact O-N 2.8Å
379	C	98.1	Very high	91.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-55.9	-43.9	173	-65.2	0	0	0	0	113	L234 M310 F361 S375 N381 H382 L385	L234-C379 HydrophobicContact CD1-CB 3.55Å; L234-C379 HydrophobicContact CD2-CB 3.64Å; L234-C379 HydrophobicContact CG-CB 4.23Å; M310-C379 VanDerWaalsContact CE-SG 3.52Å; F361-C379 HydrophobicContact CE2-CB 3.81Å; F361-C379 HydrophobicContact CZ-CB 4.08Å; S375-C379 PolarHBondContact O-N 3.09Å; S375-C379 PolarHBondContact O-SG 2.91Å; S375-C379 VanDerWaalsContact O-SG 3.33Å; C379-N381 PolarHBondContact O-N 2.76Å; C379-N381 VanDerWaalsContact O-N 3.15Å; C379-H382 WeakPolarHBondContact O-CB 3.39Å; C379-H382 PolarHBondContact O-N 2.95Å; C379-L385 WeakPolarHBondContact O-CD1 3.49Å
380	L	96.5	Very high	88.8	Confident	36 Å²	36	61.4 Å²	61.4	19%	0.188	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.6	176.1	-73.9	171.9	0	0	0	114	T231 L234 E235 V238 A376 E378	T231-L380 HydrophobicContact CG2-CD2 3.99Å; L234-L380 HydrophobicContact CB-CD1 4.34Å; L234-L380 HydrophobicContact CB-CD2 3.71Å; L234-L380 HydrophobicContact CB-CG 3.79Å; L234-L380 HydrophobicContact CD1-CD2 4.2Å; L234-L380 HydrophobicContact CD1-CG 4.39Å; E235-L380 HydrophobicContact CG-CD1 4.11Å; E235-L380 HydrophobicContact CG-CD2 4.25Å; V238-L380 HydrophobicContact CG2-CD1 3.95Å; A376-L380 WeakPolarHBondContact O-CG 3.32Å; A376-L380 PolarHBondContact O-N 2.7Å; E378-L380 VanDerWaalsContact C-N 3.33Å; E378-L380 PolarHBondContact O-N 2.84Å
381	N	96.2	Very high	85.8	Confident	108 Å²	108	66.7 Å²	66.7	58%	0.578	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	9.4	176	-67.2	-90.4	0	0	0	112.4	K377 E378 C379 L386	K377-N381 PolarHBondContact O-ND2 3.2Å; E378-N381 CarbonylContact O-C 3.58Å; E378-N381 WeakPolarHBondContact O-CA 3.44Å; E378-N381 PolarHBondContact O-N 2.81Å; C379-N381 PolarHBondContact O-N 2.76Å; C379-N381 VanDerWaalsContact O-N 3.15Å; N381-L386 WeakPolarHBondContact O-CD1 3.4Å
382	H	97.5	Very high	82.6	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.019	34%	0.34	C	S	.	.	S	Bend	trans	-73.1	137	178.5	-164.3	-94.7	0	0	0	110.9	D357 D360 F361 E378 C379 W384 L385 L386	D357-H382 PolarHBondContact O-CE1 3.38Å; D360-H382 IonicContact OD2-CE1 2.67Å; D360-H382 IonicContact OD2-NE2 2.62Å; D360-H382 PolarHBondContact OD2-NE2 2.81Å; F361-H382 HydrophobicContact CD2-CB 3.82Å; F361-H382 AromaticContact CD2-CG 3.65Å; F361-H382 AromaticContact CD2-ND1 3.68Å; F361-H382 HydrophobicContact CE2-CB 4.19Å; E378-H382 PolarHBondContact O-N 2.8Å; C379-H382 WeakPolarHBondContact O-CB 3.39Å; C379-H382 PolarHBondContact O-N 2.95Å; H382-W384 PolarHBondContact O-N 2.74Å; H382-W384 VanDerWaalsContact O-N 3.08Å; H382-L385 PolarHBondContact O-N 3.15Å; H382-L386 PolarHBondContact O-N 2.99Å
383	P	95.3	Very high	79.6	Confident	71 Å²	71	63 Å²	63	46%	0.461	33%	0.331	S	S	.	.	H	α-helix	trans	-47.1	-45	-177.5	-31.8	36.4	0	0	0	113.8	L385 L386 Q387	P383-L385 PolarHBondContact O-N 2.96Å; P383-L386 PolarHBondContact O-N 3.32Å; P383-L386 VanDerWaalsContact O-N 3.07Å; P383-Q387 WeakPolarHBondContact O-CG 3.47Å; P383-Q387 PolarHBondContact O-N 3.25Å
384	W	96.4	Very high	76.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-46.1	-54.4	175.4	-166.7	44.7	0	0	0	113.5	E223 I226 R227 L230 T317 L321 S355 D357 S358 F361 H382 L386 Q387	E223-W384 HydrophobicContact CG-CZ2 4.41Å; E223-W384 PolarHBondContact OE2-NE1 3.01Å; I226-W384 HydrophobicContact CG2-CH2 3.93Å; R227-W384 WeakPolarHBondContact CD-O 3.45Å; R227-W384 HydrophobicContact CG-CD2 3.93Å; R227-W384 HydrophobicContact CG-CE3 4.37Å; R227-W384 HydrophobicContact CG-CG 4.42Å; R227-W384 HydrophobicContact CG-CH2 4.28Å; R227-W384 HydrophobicContact CG-CZ2 3.81Å; L230-W384 HydrophobicContact CD1-CH2 3.75Å; L230-W384 HydrophobicContact CD1-CZ3 3.47Å; L230-W384 VanDerWaalsContact CD1-CZ3 3.47Å; T317-W384 HydrophobicContact CG2-CH2 3.79Å; T317-W384 HydrophobicContact CG2-CZ3 3.75Å; L321-W384 HydrophobicContact CD1-CH2 4.17Å; L321-W384 HydrophobicContact CD1-CZ2 4.37Å; L321-W384 HydrophobicContact CD2-CZ2 4.29Å; S355-W384 PolarHBondContact OG-NE1 3.27Å; D357-W384 HydrophobicContact CB-CB 3.8Å; D357-W384 HydrophobicContact CB-CG 4.02Å; S358-W384 VanDerWaalsContact CB-CE2 3.43Å; F361-W384 HydrophobicContact CB-CD2 4.49Å; F361-W384 HydrophobicContact CB-CE3 3.85Å; F361-W384 HydrophobicContact CB-CZ3 4.43Å; F361-W384 AromaticContact CD1-CE3 3.81Å; F361-W384 HydrophobicContact CD1-CE3 3.81Å; F361-W384 AromaticContact CD1-CZ3 3.69Å; F361-W384 HydrophobicContact CD1-CZ3 3.69Å; F361-W384 AromaticContact CD2-CE3 3.97Å; F361-W384 HydrophobicContact CD2-CE3 3.97Å; F361-W384 HydrophobicContact CE1-CE3 4.3Å; F361-W384 HydrophobicContact CE1-CZ3 4Å; F361-W384 HydrophobicContact CE2-CE3 4.45Å; F361-W384 AromaticContact CG-CE3 3.61Å; F361-W384 HydrophobicContact CG-CE3 3.61Å; F361-W384 HydrophobicContact CG-CZ3 4.01Å; H382-W384 PolarHBondContact O-N 2.74Å; H382-W384 VanDerWaalsContact O-N 3.08Å; W384-L386 VanDerWaalsContact C-N 3.34Å; W384-L386 PolarHBondContact O-N 3.43Å; W384-Q387 WeakPolarHBondContact O-CG 3.49Å; W384-Q387 PolarHBondContact O-N 3.44Å
385	L	94	Very high	72.9	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-73.6	-27.1	-176.4	-59.7	-167.6	0	0	0	112.4	R227 L230 L234 F361 C379 H382 P383 Q387	R227-L385 HydrophobicContact CB-CD2 3.91Å; R227-L385 HydrophobicContact CG-CD2 3.81Å; L230-L385 HydrophobicContact CB-CD2 4.39Å; L234-L385 HydrophobicContact CD1-CD1 3.41Å; L234-L385 VanDerWaalsContact CD1-CD1 3.41Å; F361-L385 HydrophobicContact CE2-CD1 3.97Å; F361-L385 HydrophobicContact CE2-CG 4.14Å; F361-L385 HydrophobicContact CZ-CD1 4.29Å; C379-L385 WeakPolarHBondContact O-CD1 3.49Å; H382-L385 PolarHBondContact O-N 3.15Å; P383-L385 PolarHBondContact O-N 2.96Å; L385-Q387 VanDerWaalsContact C-N 3.33Å
386	L	89.5	Confident	69.5	Low	110 Å²	110	74.7 Å²	74.7	58%	0.576	39%	0.385	S	S	*	.	H	α-helix	trans	-77.8	-10.8	178.8	-62.9	178.2	0	0	0	114.2	N381 H382 P383 W384 S388	N381-L386 WeakPolarHBondContact O-CD1 3.4Å; H382-L386 PolarHBondContact O-N 2.99Å; P383-L386 PolarHBondContact O-N 3.32Å; P383-L386 VanDerWaalsContact O-N 3.07Å; W384-L386 VanDerWaalsContact C-N 3.34Å; W384-L386 PolarHBondContact O-N 3.43Å; L386-S388 PolarHBondContact O-N 3.05Å
387	Q	78	Confident	66.1	Low	73 Å²	73	78.3 Å²	78.3	34%	0.341	41%	0.407	S	S	.	.	S	Bend	trans	-60.8	127.3	176.8	-63.3	178.2	8.9	0	0	111.3	R227 D357 P383 W384 L385	R227-Q387 PolarHBondContact NH1-O 3.36Å; D357-Q387 PolarHBondContact OD2-NE2 2.98Å; P383-Q387 WeakPolarHBondContact O-CG 3.47Å; P383-Q387 PolarHBondContact O-N 3.25Å; W384-Q387 WeakPolarHBondContact O-CG 3.49Å; W384-Q387 PolarHBondContact O-N 3.44Å; L385-Q387 VanDerWaalsContact C-N 3.33Å
388	S	55.4	Low	62.8	Low	84 Å²	84	80.9 Å²	80.9	59%	0.587	42%	0.421	S	S	*	.			trans	-49.6	142.2	-175.6	-48.7	0	0	0	0	113.8	L386 N390	L386-S388 PolarHBondContact O-N 3.05Å; S388-N390 PolarHBondContact O-N 2.89Å
389	F	55.4	Low	59.5	Low	118 Å²	118	81.6 Å²	81.6	52%	0.518	43%	0.427	S	S	.	.			trans	-75.3	21.8	-175.9	-58.8	-75.7	0	0	0	114.6	Q228 Q391	Q228-F389 HydrophobicContact CG-CD1 3.94Å; Q228-F389 HydrophobicContact CG-CE1 3.79Å; F389-Q391 VanDerWaalsContact C-N 3.26Å; F389-Q391 PolarHBondContact O-N 3.23Å
390	N	34.5	Very low	55.9	Low	74 Å²	74	88 Å²	88	40%	0.396	46%	0.461	S	S	.	.			trans	-82	50.2	-163.6	-66.1	-8.3	0	0	0	114.6	S388 E426	S388-N390 PolarHBondContact O-N 2.89Å; N390-E426 PolarHBondContact ND2-OE1 3.16Å
391	Q	34.3	Very low	52.8	Low	147 Å²	147	94.1 Å²	94.1	69%	0.687	49%	0.489	S	S	*	.			trans	-133.3	113.8	163.7	-77.2	-172.1	-21.6	0	0	109.2	F389	F389-Q391 VanDerWaalsContact C-N 3.26Å; F389-Q391 PolarHBondContact O-N 3.23Å
392	P	28.9	Very low	49.3	Very low	87 Å²	87	97.4 Å²	97.4	57%	0.565	50%	0.5	S	S	*	.			trans	-65.2	146.3	174.1	28.4	-33.9	0	0	0	110.2	I394	P392-I394 VanDerWaalsContact C-N 3.34Å; P392-I394 HydrophobicContact CG-CG1 4.32Å; P392-I394 PolarHBondContact O-N 3.16Å
393	I	34.5	Very low	45.8	Very low	85 Å²	85	102.5 Å²	102.5	44%	0.436	54%	0.537	S	S	.	.			trans	-80.7	85.5	177.2	-56.3	179.3	0	0	0	107.7	P263 I395	P263-I393 HydrophobicContact CB-CD1 4.25Å; P263-I393 HydrophobicContact CB-CG2 4.47Å; I393-I395 HydrophobicContact CG2-CG1 4.28Å; I393-I395 PolarHBondContact O-N 2.97Å
394	I	27.1	Very low	42.5	Very low	125 Å²	125	104.3 Å²	104.3	64%	0.641	55%	0.551	S	S	*	*			trans	-67.6	104.7	-179.8	-56.2	177.2	0	0	0	109.5	P392 E396	P392-I394 VanDerWaalsContact C-N 3.34Å; P392-I394 HydrophobicContact CG-CG1 4.32Å; P392-I394 PolarHBondContact O-N 3.16Å; I394-E396 HydrophobicContact CG2-CG 4.07Å; I394-E396 PolarHBondContact O-N 3.33Å
395	I	28.4	Very low	39	Very low	79 Å²	79	113.4 Å²	113.4	41%	0.405	59%	0.594	S	S	.	*			trans	-92.5	84.3	173.5	-50.5	-178.8	0	0	0	108.9	P263 I393 T397	P263-I395 HydrophobicContact CG-CD1 4.46Å; I393-I395 HydrophobicContact CG2-CG1 4.28Å; I393-I395 PolarHBondContact O-N 2.97Å; I395-T397 VanDerWaalsContact C-N 3.32Å; I395-T397 HydrophobicContact CG2-CG2 4Å; I395-T397 PolarHBondContact O-N 3.46Å
396	E	27.9	Very low	35.7	Very low	128 Å²	128	119.6 Å²	119.6	60%	0.598	63%	0.632	S	S	*	*			trans	-66.8	89.3	170.7	-88.6	161.2	-129.8	0	0	110.7	K213 I394	K213-E396 WeakPolarHBondContact CE-OE2 3.38Å; K213-E396 IonicContact NZ-OE1 2.65Å; K213-E396 PolarHBondContact NZ-OE1 3.34Å; K213-E396 IonicContact NZ-OE2 3.34Å; K213-E396 PolarHBondContact NZ-OE2 2.93Å; I394-E396 HydrophobicContact CG2-CG 4.07Å; I394-E396 PolarHBondContact O-N 3.33Å
397	T	27	Very low	32.5	Very low	78 Å²	78	119.8 Å²	119.8	48%	0.479	64%	0.637	S	S	.	*			trans	-76.1	124.5	168.3	57.7	0	0	0	0	110	I395 I399	I395-T397 VanDerWaalsContact C-N 3.32Å; I395-T397 HydrophobicContact CG2-CG2 4Å; I395-T397 PolarHBondContact O-N 3.46Å; T397-I399 VanDerWaalsContact C-N 3.27Å; T397-I399 PolarHBondContact O-N 3.44Å
398	E	25.6	Very low	30	Very low	176 Å²	176	124.5 Å²	124.5	82%	0.822	66%	0.664	S	S	*	*			trans	-70.1	77.4	177.1	-71.3	-164.9	149.2	0	0	112.4	N400	E398-N400 PolarHBondContact O-N 3.31Å
399	I	28.7	Very low	28.4	Very low	124 Å²	124	130.4 Å²	130.4	64%	0.636	68%	0.675	S	S	*	*			trans	-74	93.7	168.5	-55.2	-177.7	0	0	0	108.6	T397 H401	T397-I399 VanDerWaalsContact C-N 3.27Å; T397-I399 PolarHBondContact O-N 3.44Å; I399-H401 VanDerWaalsContact CG2-CD2 3.45Å; I399-H401 WeakPolarHBondContact CG2-CD2 3.38Å; I399-H401 PolarHBondContact O-N 2.93Å
400	N	23.8	Very low	26.9	Very low	136 Å²	136	131.2 Å²	131.2	73%	0.727	69%	0.685	S	S	*	*			trans	-67	72.8	177.3	-93.3	-84.1	0	0	0	112.6	E398	E398-N400 PolarHBondContact O-N 3.31Å
401	H	30.1	Very low	26.4	Very low	164 Å²	164	135.7 Å²	135.7	76%	0.759	71%	0.709	S	S	*	*			trans	-94.8	99.8	169.1	-89.3	-51.3	0	0	0	111.3	I399	I399-H401 VanDerWaalsContact CG2-CD2 3.45Å; I399-H401 WeakPolarHBondContact CG2-CD2 3.38Å; I399-H401 PolarHBondContact O-N 2.93Å
402	Q	23.3	Very low	26	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.822	71%	0.713	S	S	*	*			trans	-66.5	144.5	165.5	-65.4	179.3	-15.8	0	0	110.3
403	S	24.7	Very low	25.8	Very low	112 Å²	112	140 Å²	140	78%	0.783	73%	0.727	S	S	*	*			trans	65.7	128.5	179.5	77.3	0	0	0	0	115.2
404	S	26.2	Very low	25.3	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	75%	0.745	S	S	*	*			cis	-146.7	157.1	22.7	-60.7	0	0	0	0	112.4
405	Q	22.9	Very low	25.3	Very low	191 Å²	191	144.1 Å²	144.1	89%	0.893	76%	0.758	S	S	*	*			trans	-77.3	130.3	173.8	-66	169.9	-31.3	0	0	111.3
406	T	24.4	Very low	25.2	Very low	135 Å²	135	144.6 Å²	144.6	83%	0.828	77%	0.768	S	S	*	*			trans	-138.6	99.2	155.6	-51.5	0	0	0	0	109.2
407	T	22.4	Very low	25.3	Very low	114 Å²	114	144 Å²	144	70%	0.699	77%	0.77	S	S	*	*			trans	-74.7	130	173	48.1	0	0	0	0	111.2
408	L	24.4	Very low	25.6	Very low	173 Å²	173	146.9 Å²	146.9	91%	0.906	78%	0.782	S	S	*	*			trans	-125.7	140.5	149.6	-79.5	175.7	0	0	0	108.6
409	Y	22.7	Very low	25.8	Very low	208 Å²	208	144.5 Å²	144.5	82%	0.816	78%	0.775	S	S	*	*			trans	-87.9	161.8	-163.6	-108.9	-110.1	0	0	0	113.4
410	N	23.3	Very low	25.7	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	77%	0.77	S	S	*	*			trans	-45.7	145.3	172.8	-49.5	-3.1	0	0	0	113
411	N	23.9	Very low	26.1	Very low	169 Å²	169	141.3 Å²	141.3	90%	0.904	76%	0.762	S	S	*	*			trans	-143.5	127.2	136.4	-105.7	-23.7	0	0	0	108.4
412	E	25.5	Very low	26.2	Very low	164 Å²	164	139 Å²	139	77%	0.766	75%	0.75	S	S	*	*			trans	-80.4	174.9	170.3	-62	174.1	148	0	0	109.7
413	N	24.3	Very low	26.4	Very low	161 Å²	161	138 Å²	138	86%	0.861	74%	0.74	S	S	*	*			trans	85.3	71.2	175.8	-45.9	-76.8	0	0	0	117.8
414	S	25.7	Very low	26.5	Very low	118 Å²	118	135 Å²	135	83%	0.825	72%	0.722	S	S	*	*			trans	-151.3	125.6	142.4	54.1	0	0	0	0	111.3
415	I	26.8	Very low	26.7	Very low	177 Å²	177	135.5 Å²	135.5	91%	0.908	72%	0.715	S	S	*	*			trans	-110.1	110.3	179.1	-62.2	169.5	0	0	0	108.5
416	S	25.6	Very low	27	Very low	89 Å²	89	130.4 Å²	130.4	62%	0.622	69%	0.691	S	S	*	*			trans	-168.9	135.9	166.5	55	0	0	0	0	114.2	D418	S416-D418 PolarHBondContact O-N 3.29Å
417	D	29.6	Very low	27.1	Very low	117 Å²	117	127 Å²	127	63%	0.626	67%	0.667	S	S	*	*			trans	72.4	10.6	142.8	-55.9	-7	0	0	0	123.1	N419 N420	D417-N419 PolarHBondContact O-N 3.27Å; D417-N419 VanDerWaalsContact O-N 3.08Å; D417-N420 PolarHBondContact O-N 2.75Å
418	D	33.2	Very low	27.3	Very low	137 Å²	137	125.3 Å²	125.3	73%	0.733	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-17.7	177.1	-145.6	11.1	0	0	0	114.4	S416 N420	S416-D418 PolarHBondContact O-N 3.29Å; D418-N420 VanDerWaalsContact C-N 3.27Å; D418-N420 PolarHBondContact O-N 3.11Å
419	N	30	Very low	27.6	Very low	127 Å²	127	126.2 Å²	126.2	68%	0.679	65%	0.649	S	S	*	*	H	α-helix	trans	-62.1	-29.5	178.1	-73	-33.1	0	0	0	113.7	D417 K422 Y423	D417-N419 PolarHBondContact O-N 3.27Å; D417-N419 VanDerWaalsContact O-N 3.08Å; N419-K422 PolarHBondContact O-N 3.07Å; N419-Y423 PolarHBondContact O-N 3.46Å
420	N	27.8	Very low	27.9	Very low	101 Å²	101	121 Å²	121	54%	0.54	64%	0.639	S	S	.	*	H	α-helix	trans	-74.6	-29.2	-173	-73.6	-43.8	0	0	0	113.4	D417 D418 A424	D417-N420 PolarHBondContact O-N 2.75Å; D418-N420 VanDerWaalsContact C-N 3.27Å; D418-N420 PolarHBondContact O-N 3.11Å; N420-A424 PolarHBondContact O-N 3.13Å
421	V	31.4	Very low	28.3	Very low	91 Å²	91	120.4 Å²	120.4	55%	0.552	64%	0.636	S	S	*	*	H	α-helix	trans	-72	-41.8	174.1	-178.8	0	0	0	0	109.9	A424 I425	V421-A424 WeakPolarHBondContact O-CB 3.48Å; V421-A424 PolarHBondContact O-N 3.37Å; V421-I425 HydrophobicContact CG1-CD1 4.32Å; V421-I425 PolarHBondContact O-N 2.88Å
422	K	31.4	Very low	28.7	Very low	117 Å²	117	115.8 Å²	115.8	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-60.3	-46.3	176.9	-165.5	171.7	-176.6	175.1	0	112.2	N419 A424 I425 E426	N419-K422 PolarHBondContact O-N 3.07Å; K422-A424 VanDerWaalsContact C-N 3.28Å; K422-A424 PolarHBondContact O-N 2.86Å; K422-I425 PolarHBondContact O-N 3.35Å; K422-I425 VanDerWaalsContact O-N 3.16Å; K422-E426 WeakPolarHBondContact O-CG 3.29Å; K422-E426 PolarHBondContact O-N 3.3Å
423	Y	27.6	Very low	29	Very low	154 Å²	154	111.9 Å²	111.9	60%	0.604	60%	0.599	S	S	*	*	H	α-helix	trans	-65.1	-30	177.9	-139.8	-113.5	0	0	0	113.2	N419 E426 L427	N419-Y423 PolarHBondContact O-N 3.46Å; Y423-E426 PolarHBondContact O-N 3.41Å; Y423-L427 HydrophobicContact CD1-CD1 3.65Å; Y423-L427 HydrophobicContact CE1-CD1 3.79Å; Y423-L427 WeakPolarHBondContact O-CB 3.48Å; Y423-L427 PolarHBondContact O-N 3.32Å
424	A	27.2	Very low	29.3	Very low	50 Å²	50	106.3 Å²	106.3	41%	0.413	57%	0.57	S	S	.	*	H	α-helix	trans	-70.2	-34.1	174.4	0	0	0	0	0	112.6	N420 V421 K422 F428	N420-A424 PolarHBondContact O-N 3.13Å; V421-A424 WeakPolarHBondContact O-CB 3.48Å; V421-A424 PolarHBondContact O-N 3.37Å; K422-A424 VanDerWaalsContact C-N 3.28Å; K422-A424 PolarHBondContact O-N 2.86Å; A424-F428 WeakPolarHBondContact O-CD2 3.47Å
425	I	30.5	Very low	29.6	Very low	119 Å²	119	106.1 Å²	106.1	61%	0.61	56%	0.556	S	S	*	*	H	α-helix	trans	-72.9	-36.4	174	-63.8	165.6	0	0	0	110.5	V421 K422 L427	V421-I425 HydrophobicContact CG1-CD1 4.32Å; V421-I425 PolarHBondContact O-N 2.88Å; K422-I425 PolarHBondContact O-N 3.35Å; K422-I425 VanDerWaalsContact O-N 3.16Å; I425-L427 VanDerWaalsContact C-N 3.35Å; I425-L427 PolarHBondContact O-N 2.81Å
426	E	29.5	Very low	29.9	Very low	83 Å²	83	102 Å²	102	39%	0.388	54%	0.536	S	S	.	.	H	α-helix	trans	-73.1	-19.4	179.3	-70.1	170.8	165	0	0	114.2	N390 K422 Y423	N390-E426 PolarHBondContact ND2-OE1 3.16Å; K422-E426 WeakPolarHBondContact O-CG 3.29Å; K422-E426 PolarHBondContact O-N 3.3Å; Y423-E426 PolarHBondContact O-N 3.41Å
427	L	26.9	Very low	30.2	Very low	64 Å²	64	98.4 Å²	98.4	34%	0.335	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-4.7	-176.3	-89.7	168.6	0	0	0	116.1	Y423 I425 K628	Y423-L427 HydrophobicContact CD1-CD1 3.65Å; Y423-L427 HydrophobicContact CE1-CD1 3.79Å; Y423-L427 WeakPolarHBondContact O-CB 3.48Å; Y423-L427 PolarHBondContact O-N 3.32Å; I425-L427 VanDerWaalsContact C-N 3.35Å; I425-L427 PolarHBondContact O-N 2.81Å; L427-K628 PolarHBondContact O-NZ 2.75Å
428	F	25.7	Very low	30.5	Very low	79 Å²	79	96.3 Å²	96.3	35%	0.346	50%	0.498	S	S	.	.			trans	-139	115.7	-178.6	-63	-106.1	0	0	0	110.1	A424 V430 N625 K628	A424-F428 WeakPolarHBondContact O-CD2 3.47Å; F428-V430 HydrophobicContact CB-CG2 3.75Å; F428-V430 PolarHBondContact O-N 3.34Å; F428-N625 WeakPolarHBondContact CE1-OD1 3.49Å; F428-K628 HydrophobicContact CE1-CD 3.58Å; F428-K628 HydrophobicContact CE2-CD 4.09Å; F428-K628 HydrophobicContact CZ-CB 4.26Å; F428-K628 HydrophobicContact CZ-CD 3.3Å; F428-K628 HydrophobicContact CZ-CG 4.44Å
429	H	30.2	Very low	30.7	Very low	191 Å²	191	96.2 Å²	96.2	88%	0.884	49%	0.493	S	S	*	.			trans	-72.7	73.5	172.2	-61.6	-79.2	0	0	0	110.2
430	V	29.7	Very low	30.8	Very low	100 Å²	100	96.6 Å²	96.6	61%	0.606	49%	0.49	S	S	*	.			trans	-90	117.1	178.1	-172.3	0	0	0	0	109.3	F428 V434	F428-V430 HydrophobicContact CB-CG2 3.75Å; F428-V430 PolarHBondContact O-N 3.34Å; V430-V434 HydrophobicContact CG1-CG2 4.11Å
431	D	32.7	Very low	31.3	Very low	120 Å²	120	94.3 Å²	94.3	64%	0.642	48%	0.476	S	S	*	.			trans	-56.4	155.8	176.8	-89.2	-59.2	0	0	0	113.3	I433	D431-I433 HydrophobicContact CB-CG1 4.41Å; D431-I433 PolarHBondContact O-N 3.13Å
432	P	32.2	Very low	31.8	Very low	73 Å²	73	92.6 Å²	92.6	47%	0.474	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	12	-171.3	26	-36.2	0	0	0	116.4	V434 E435 I436	P432-V434 PolarHBondContact O-N 3.11Å; P432-E435 PolarHBondContact O-N 3.33Å; P432-I436 HydrophobicContact CB-CD1 4.28Å; P432-I436 HydrophobicContact CG-CD1 4.39Å; P432-I436 WeakPolarHBondContact O-CD1 3.49Å; P432-I436 VanDerWaalsContact O-CG1 3.3Å; P432-I436 WeakPolarHBondContact O-CG1 3.31Å; P432-I436 PolarHBondContact O-N 3.38Å; P432-I436 VanDerWaalsContact O-N 3.1Å
433	I	30.4	Very low	32.4	Very low	81 Å²	81	90.3 Å²	90.3	42%	0.415	47%	0.465	S	S	.	.	H	α-helix	trans	-50.8	-38.2	172.9	-60.6	174.1	0	0	0	110.8	D431 E435 V437	D431-I433 HydrophobicContact CB-CG1 4.41Å; D431-I433 PolarHBondContact O-N 3.13Å; I433-E435 PolarHBondContact O-N 2.67Å; I433-V437 HydrophobicContact CG2-CG2 3.92Å; I433-V437 VanDerWaalsContact O-CB 3.28Å; I433-V437 WeakPolarHBondContact O-CB 3.34Å; I433-V437 WeakPolarHBondContact O-CG2 3.43Å; I433-V437 PolarHBondContact O-N 2.79Å
434	V	32	Very low	33.2	Very low	44 Å²	44	85.7 Å²	85.7	27%	0.267	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-36.9	-177.1	-176.4	0	0	0	0	112.7	V430 P432 N438 V463	V430-V434 HydrophobicContact CG1-CG2 4.11Å; P432-V434 PolarHBondContact O-N 3.11Å; V434-N438 PolarHBondContact O-ND2 3.44Å; V434-V463 HydrophobicContact CG1-CG1 3.63Å; V434-V463 HydrophobicContact CG2-CG1 4.02Å
435	E	32	Very low	33.9	Very low	114 Å²	114	86.1 Å²	86.1	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-78.3	-48.9	177.3	-65.9	-178.5	139.7	0	0	110.5	P432 I433 V437 N438 E439	P432-E435 PolarHBondContact O-N 3.33Å; I433-E435 PolarHBondContact O-N 2.67Å; E435-V437 PolarHBondContact O-N 3.16Å; E435-N438 PolarHBondContact O-N 3.13Å; E435-E439 PolarHBondContact O-N 3.04Å
436	I	31.8	Very low	34.7	Very low	92 Å²	92	80.8 Å²	80.8	47%	0.472	43%	0.425	S	S	.	.	H	α-helix	trans	-52.8	-43.1	179	-67.1	166	0	0	0	111.5	P432 F440	P432-I436 HydrophobicContact CB-CD1 4.28Å; P432-I436 HydrophobicContact CG-CD1 4.39Å; P432-I436 WeakPolarHBondContact O-CD1 3.49Å; P432-I436 VanDerWaalsContact O-CG1 3.3Å; P432-I436 WeakPolarHBondContact O-CG1 3.31Å; P432-I436 PolarHBondContact O-N 3.38Å; P432-I436 VanDerWaalsContact O-N 3.1Å; I436-F440 WeakPolarHBondContact O-CB 3.21Å; I436-F440 PolarHBondContact O-N 2.9Å; I436-F440 VanDerWaalsContact O-N 3.07Å
437	V	33.3	Very low	35.4	Very low	12 Å²	12	77.5 Å²	77.5	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-75.1	-25.5	-177.4	177.1	0	0	0	0	112.9	I433 E435 M441 L446 Y460	I433-V437 HydrophobicContact CG2-CG2 3.92Å; I433-V437 VanDerWaalsContact O-CB 3.28Å; I433-V437 WeakPolarHBondContact O-CB 3.34Å; I433-V437 WeakPolarHBondContact O-CG2 3.43Å; I433-V437 PolarHBondContact O-N 2.79Å; E435-V437 PolarHBondContact O-N 3.16Å; V437-M441 HydrophobicContact CB-CE 4.44Å; V437-M441 HydrophobicContact CG1-CE 3.78Å; V437-M441 HydrophobicContact CG2-CE 4.02Å; V437-L446 HydrophobicContact CG1-CD1 3.77Å; V437-Y460 HydrophobicContact CB-CE2 4.17Å; V437-Y460 HydrophobicContact CG1-CD2 4.37Å; V437-Y460 HydrophobicContact CG1-CE2 3.38Å; V437-Y460 WeakPolarHBondContact CG1-OH 3.5Å
438	N	35.7	Very low	36.2	Very low	73 Å²	73	78.7 Å²	78.7	39%	0.39	41%	0.414	S	S	.	.	H	α-helix	trans	-83.5	-26.5	179.9	-85.1	-57.2	0	0	0	113.9	V434 E435	V434-N438 PolarHBondContact O-ND2 3.44Å; E435-N438 PolarHBondContact O-N 3.13Å
439	E	35.9	Very low	37.1	Very low	135 Å²	135	77.8 Å²	77.8	63%	0.631	41%	0.411	S	S	*	.	H	α-helix	trans	-101.9	-37.2	179.5	-67.3	-163.7	134.4	0	0	114.2	E435	E435-E439 PolarHBondContact O-N 3.04Å
440	F	32.6	Very low	37.7	Very low	136 Å²	136	69 Å²	69	60%	0.596	37%	0.37	S	S	*	.	S	Bend	trans	-107.9	-12.3	-164.3	-65.3	-86.8	0	0	0	116	I436	I436-F440 WeakPolarHBondContact O-CB 3.21Å; I436-F440 PolarHBondContact O-N 2.9Å; I436-F440 VanDerWaalsContact O-N 3.07Å
441	M	37.8	Very low	38.3	Very low	53 Å²	53	68.8 Å²	68.8	26%	0.261	37%	0.369	S	S	.	.			trans	-96.1	124.3	179.1	-78.1	-134.5	-72.3	0	0	113.5	V437 C445 L446 F449	V437-M441 HydrophobicContact CB-CE 4.44Å; V437-M441 HydrophobicContact CG1-CE 3.78Å; V437-M441 HydrophobicContact CG2-CE 4.02Å; M441-C445 HydrophobicContact CB-CB 4.22Å; M441-C445 HydrophobicContact CG-CB 4.19Å; M441-C445 HydrophobicContact SD-CB 3.65Å; M441-L446 HydrophobicContact CB-CB 4.48Å; M441-L446 HydrophobicContact CE-CB 4.07Å; M441-L446 HydrophobicContact CE-CD1 3.75Å; M441-F449 HydrophobicContact CE-CB 3.85Å; M441-F449 HydrophobicContact CE-CD1 4.11Å; M441-F449 HydrophobicContact CE-CG 4.01Å; M441-F449 HydrophobicContact SD-CB 4.36Å
442	S	43.1	Very low	38.7	Very low	54 Å²	54	68.8 Å²	68.8	38%	0.378	37%	0.365	S	S	.	.			trans	-62.2	155.2	164.9	78.6	0	0	0	0	111.1	V444 C445 L446	S442-V444 PolarHBondContact O-N 2.86Å; S442-V444 PolarHBondContact OG-N 2.7Å; S442-C445 PolarHBondContact O-N 3.17Å; S442-C445 PolarHBondContact OG-N 3.37Å; S442-C445 VanDerWaalsContact OG-N 3.14Å; S442-C445 PolarHBondContact OG-SG 3.3Å; S442-L446 PolarHBondContact O-N 3.08Å
443	P	42.6	Very low	39	Very low	70 Å²	70	66.9 Å²	66.9	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-52.6	-29.4	173.7	-30.7	37.5	0	0	0	114.4	T447 S475	P443-T447 WeakPolarHBondContact O-CB 3.33Å; P443-T447 PolarHBondContact O-N 2.67Å; P443-T447 PolarHBondContact O-OG1 2.9Å; P443-S475 WeakPolarHBondContact CB-OG 3.49Å
444	V	44.3	Very low	39.3	Very low	56 Å²	56	64.4 Å²	64.4	34%	0.339	34%	0.343	S	S	.	.	H	α-helix	trans	-72.4	-48.8	175.6	-177.4	0	0	0	0	110.6	S442 L446 T447 Q448	S442-V444 PolarHBondContact O-N 2.86Å; S442-V444 PolarHBondContact OG-N 2.7Å; V444-L446 VanDerWaalsContact C-N 3.32Å; V444-L446 PolarHBondContact O-N 3.39Å; V444-T447 PolarHBondContact O-N 3.38Å; V444-Q448 VanDerWaalsContact O-CB 3.31Å; V444-Q448 WeakPolarHBondContact O-CB 3.49Å; V444-Q448 PolarHBondContact O-N 3.42Å
445	C	43.9	Very low	39.5	Very low	59 Å²	59	63.8 Å²	63.8	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-43	176.1	-61.5	0	0	0	0	111.5	M441 S442 Q448 F449	M441-C445 HydrophobicContact CB-CB 4.22Å; M441-C445 HydrophobicContact CG-CB 4.19Å; M441-C445 HydrophobicContact SD-CB 3.65Å; S442-C445 PolarHBondContact O-N 3.17Å; S442-C445 PolarHBondContact OG-N 3.37Å; S442-C445 VanDerWaalsContact OG-N 3.14Å; S442-C445 PolarHBondContact OG-SG 3.3Å; C445-Q448 PolarHBondContact O-N 2.94Å; C445-F449 WeakPolarHBondContact O-CB 3.4Å; C445-F449 PolarHBondContact O-N 3.42Å
446	L	45.9	Very low	40	Very low	8 Å²	8	63.2 Å²	63.2	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-46.7	175.6	177.8	59.7	0	0	0	112.1	V437 M441 S442 V444 Q448 F449 L450 Y460 L472	V437-L446 HydrophobicContact CG1-CD1 3.77Å; M441-L446 HydrophobicContact CB-CB 4.48Å; M441-L446 HydrophobicContact CE-CB 4.07Å; M441-L446 HydrophobicContact CE-CD1 3.75Å; S442-L446 PolarHBondContact O-N 3.08Å; V444-L446 VanDerWaalsContact C-N 3.32Å; V444-L446 PolarHBondContact O-N 3.39Å; L446-Q448 VanDerWaalsContact C-N 3.27Å; L446-Q448 PolarHBondContact O-N 3.26Å; L446-F449 PolarHBondContact O-N 3.26Å; L446-L450 HydrophobicContact CD1-CD1 3.8Å; L446-L450 HydrophobicContact CD1-CG 3.98Å; L446-L450 HydrophobicContact CG-CD1 3.95Å; L446-L450 HydrophobicContact CG-CG 4.49Å; L446-L450 WeakPolarHBondContact O-CB 3.49Å; L446-L450 VanDerWaalsContact O-CG 3.24Å; L446-L450 WeakPolarHBondContact O-CG 3.5Å; L446-L450 PolarHBondContact O-N 3.34Å; L446-Y460 HydrophobicContact CD1-CD1 4.48Å; L446-Y460 HydrophobicContact CD1-CE1 3.66Å; L446-Y460 HydrophobicContact CD1-CE2 4.48Å; L446-Y460 HydrophobicContact CD2-CE1 4.05Å; L446-Y460 WeakPolarHBondContact CD2-OH 3.48Å; L446-Y460 HydrophobicContact CG-CE1 4.36Å; L446-L472 HydrophobicContact CD2-CG 4.45Å
447	T	44.1	Very low	40.5	Very low	14 Å²	14	59.5 Å²	59.5	9%	0.086	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-40.4	175.2	-57.5	0	0	0	0	111	P443 V444 V451 L478	P443-T447 WeakPolarHBondContact O-CB 3.33Å; P443-T447 PolarHBondContact O-N 2.67Å; P443-T447 PolarHBondContact O-OG1 2.9Å; V444-T447 PolarHBondContact O-N 3.38Å; T447-V451 HydrophobicContact CG2-CG2 4.48Å; T447-V451 WeakPolarHBondContact O-CB 3.46Å; T447-V451 WeakPolarHBondContact O-CG2 3.27Å; T447-V451 PolarHBondContact O-N 3.18Å; T447-L478 HydrophobicContact CG2-CD2 4.37Å
448	Q	44.9	Very low	40.8	Very low	88 Å²	88	61.9 Å²	61.9	41%	0.411	33%	0.327	S	S	.	.	H	α-helix	trans	-69.6	-39.6	-179	-164.1	164.5	-6.9	0	0	112.4	V444 C445 L446 V451 Q452	V444-Q448 VanDerWaalsContact O-CB 3.31Å; V444-Q448 WeakPolarHBondContact O-CB 3.49Å; V444-Q448 PolarHBondContact O-N 3.42Å; C445-Q448 PolarHBondContact O-N 2.94Å; L446-Q448 VanDerWaalsContact C-N 3.27Å; L446-Q448 PolarHBondContact O-N 3.26Å; Q448-V451 PolarHBondContact O-N 2.92Å; Q448-Q452 WeakPolarHBondContact O-CB 3.35Å; Q448-Q452 VanDerWaalsContact O-CG 3.31Å; Q448-Q452 WeakPolarHBondContact O-CG 3.29Å; Q448-Q452 PolarHBondContact O-N 3.48Å
449	F	43.3	Very low	41	Very low	61 Å²	61	61 Å²	61	27%	0.268	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-49.6	172.3	175.9	-101.1	0	0	0	112	M441 C445 L446 V451 Q452 S453 Y456	M441-F449 HydrophobicContact CE-CB 3.85Å; M441-F449 HydrophobicContact CE-CD1 4.11Å; M441-F449 HydrophobicContact CE-CG 4.01Å; M441-F449 HydrophobicContact SD-CB 4.36Å; C445-F449 WeakPolarHBondContact O-CB 3.4Å; C445-F449 PolarHBondContact O-N 3.42Å; L446-F449 PolarHBondContact O-N 3.26Å; F449-V451 VanDerWaalsContact C-N 3.27Å; F449-V451 PolarHBondContact O-N 2.87Å; F449-Q452 PolarHBondContact O-N 3.46Å; F449-Q452 VanDerWaalsContact O-N 3.13Å; F449-S453 PolarHBondContact O-N 2.89Å; F449-Y456 AromaticContact CE1-CD2 3.84Å; F449-Y456 HydrophobicContact CE1-CD2 3.84Å; F449-Y456 AromaticContact CE1-CG 3.98Å; F449-Y456 HydrophobicContact CE1-CG 3.98Å; F449-Y456 HydrophobicContact CE2-CD2 4.19Å; F449-Y456 HydrophobicContact CE2-CE2 4.36Å; F449-Y456 AromaticContact CZ-CD2 3.44Å; F449-Y456 HydrophobicContact CZ-CD2 3.44Å; F449-Y456 VanDerWaalsContact CZ-CD2 3.44Å; F449-Y456 AromaticContact CZ-CE2 3.9Å; F449-Y456 HydrophobicContact CZ-CE2 3.9Å; F449-Y456 AromaticContact CZ-CG 3.86Å; F449-Y456 HydrophobicContact CZ-CG 3.86Å
450	L	43.9	Very low	41.3	Very low	7 Å²	7	55.6 Å²	55.6	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-29.5	179	-64.6	173.7	0	0	0	112.3	L446 P454 I457 Y460	L446-L450 HydrophobicContact CD1-CD1 3.8Å; L446-L450 HydrophobicContact CD1-CG 3.98Å; L446-L450 HydrophobicContact CG-CD1 3.95Å; L446-L450 HydrophobicContact CG-CG 4.49Å; L446-L450 WeakPolarHBondContact O-CB 3.49Å; L446-L450 VanDerWaalsContact O-CG 3.24Å; L446-L450 WeakPolarHBondContact O-CG 3.5Å; L446-L450 PolarHBondContact O-N 3.34Å; L450-P454 VanDerWaalsContact O-CA 3.31Å; L450-P454 WeakPolarHBondContact O-CA 3.26Å; L450-I457 HydrophobicContact CB-CD1 4.4Å; L450-I457 HydrophobicContact CB-CG1 3.97Å; L450-I457 HydrophobicContact CD2-CG1 3.82Å; L450-I457 HydrophobicContact CG-CG1 4.38Å; L450-Y460 HydrophobicContact CD1-CD1 4.24Å; L450-Y460 HydrophobicContact CD1-CE1 4.27Å; L450-Y460 HydrophobicContact CD2-CD1 4.01Å; L450-Y460 HydrophobicContact CD2-CG 4.46Å
451	V	43.1	Very low	41.8	Very low	95 Å²	95	50.1 Å²	50.1	58%	0.576	28%	0.278	S	S	*	.	H	α-helix	trans	-75.4	-33.2	172.5	165.5	0	0	0	0	112.6	T447 Q448 F449	T447-V451 HydrophobicContact CG2-CG2 4.48Å; T447-V451 WeakPolarHBondContact O-CB 3.46Å; T447-V451 WeakPolarHBondContact O-CG2 3.27Å; T447-V451 PolarHBondContact O-N 3.18Å; Q448-V451 PolarHBondContact O-N 2.92Å; F449-V451 VanDerWaalsContact C-N 3.27Å; F449-V451 PolarHBondContact O-N 2.87Å
452	Q	39.4	Very low	41.9	Very low	119 Å²	119	51.8 Å²	51.8	56%	0.556	29%	0.287	S	S	*	.	H	α-helix	trans	-81.4	-33.5	-179.2	-76.8	179.7	-35.5	0	0	113.7	Q448 F449	Q448-Q452 WeakPolarHBondContact O-CB 3.35Å; Q448-Q452 VanDerWaalsContact O-CG 3.31Å; Q448-Q452 WeakPolarHBondContact O-CG 3.29Å; Q448-Q452 PolarHBondContact O-N 3.48Å; F449-Q452 PolarHBondContact O-N 3.46Å; F449-Q452 VanDerWaalsContact O-N 3.13Å
453	S	38.2	Very low	41.7	Very low	34 Å²	34	51.7 Å²	51.7	24%	0.238	29%	0.285	C	S	.	.			trans	-135.4	75.8	178	-64.5	0	0	0	0	110.6	F449 V455 Y456	F449-S453 PolarHBondContact O-N 2.89Å; S453-V455 PolarHBondContact O-N 3.02Å; S453-Y456 VanDerWaalsContact CB-CD2 3.48Å; S453-Y456 WeakPolarHBondContact O-CD2 3.21Å; S453-Y456 PolarHBondContact O-N 2.95Å; S453-Y456 VanDerWaalsContact O-N 3.1Å
454	P	37.5	Very low	41.5	Very low	29 Å²	29	48.5 Å²	48.5	19%	0.188	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-69.3	-8.6	-172	30.1	-37.6	0	0	0	113.9	L450 Y456 I457	L450-P454 VanDerWaalsContact O-CA 3.31Å; L450-P454 WeakPolarHBondContact O-CA 3.26Å; P454-Y456 PolarHBondContact O-N 2.75Å; P454-I457 HydrophobicContact CB-CD1 3.57Å; P454-I457 HydrophobicContact CB-CG1 4.31Å; P454-I457 WeakPolarHBondContact O-CB 3.3Å; P454-I457 WeakPolarHBondContact O-CG1 3.44Å; P454-I457 PolarHBondContact O-N 3.33Å
455	V	37.1	Very low	41.2	Very low	30 Å²	30	48.6 Å²	48.6	18%	0.182	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-52.3	-35.9	166.8	177.3	0	0	0	0	111.8	S453 I457 P459 E614 F618	S453-V455 PolarHBondContact O-N 3.02Å; V455-I457 VanDerWaalsContact C-N 3.3Å; V455-I457 PolarHBondContact O-N 3.27Å; V455-P459 WeakPolarHBondContact O-CD 3.45Å; V455-E614 HydrophobicContact CG2-CB 4.18Å; V455-F618 HydrophobicContact CG1-CB 4.17Å; V455-F618 HydrophobicContact CG1-CD2 4.16Å
456	Y	42.6	Very low	41	Very low	103 Å²	103	52.5 Å²	52.5	40%	0.404	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-74.5	-14.9	178.3	-61.5	-65.6	0	0	0	113.8	F449 S453 P454 V458 P459 Y460	F449-Y456 AromaticContact CE1-CD2 3.84Å; F449-Y456 HydrophobicContact CE1-CD2 3.84Å; F449-Y456 AromaticContact CE1-CG 3.98Å; F449-Y456 HydrophobicContact CE1-CG 3.98Å; F449-Y456 HydrophobicContact CE2-CD2 4.19Å; F449-Y456 HydrophobicContact CE2-CE2 4.36Å; F449-Y456 AromaticContact CZ-CD2 3.44Å; F449-Y456 HydrophobicContact CZ-CD2 3.44Å; F449-Y456 VanDerWaalsContact CZ-CD2 3.44Å; F449-Y456 AromaticContact CZ-CE2 3.9Å; F449-Y456 HydrophobicContact CZ-CE2 3.9Å; F449-Y456 AromaticContact CZ-CG 3.86Å; F449-Y456 HydrophobicContact CZ-CG 3.86Å; S453-Y456 VanDerWaalsContact CB-CD2 3.48Å; S453-Y456 WeakPolarHBondContact O-CD2 3.21Å; S453-Y456 PolarHBondContact O-N 2.95Å; S453-Y456 VanDerWaalsContact O-N 3.1Å; P454-Y456 PolarHBondContact O-N 2.75Å; Y456-V458 PolarHBondContact O-N 3.14Å; Y456-P459 WeakPolarHBondContact O-CD 3.41Å; Y456-Y460 WeakPolarHBondContact O-CB 3.41Å; Y456-Y460 PolarHBondContact O-N 3.4Å
457	I	42	Very low	40.5	Very low	14 Å²	14	55.8 Å²	55.8	7%	0.072	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-43	-173.7	-64.1	168.8	0	0	0	111.9	L450 P454 V455 V461 L518	L450-I457 HydrophobicContact CB-CD1 4.4Å; L450-I457 HydrophobicContact CB-CG1 3.97Å; L450-I457 HydrophobicContact CD2-CG1 3.82Å; L450-I457 HydrophobicContact CG-CG1 4.38Å; P454-I457 HydrophobicContact CB-CD1 3.57Å; P454-I457 HydrophobicContact CB-CG1 4.31Å; P454-I457 WeakPolarHBondContact O-CB 3.3Å; P454-I457 WeakPolarHBondContact O-CG1 3.44Å; P454-I457 PolarHBondContact O-N 3.33Å; V455-I457 VanDerWaalsContact C-N 3.3Å; V455-I457 PolarHBondContact O-N 3.27Å; I457-V461 HydrophobicContact CG2-CG2 4.2Å; I457-V461 VanDerWaalsContact O-CB 3.31Å; I457-V461 WeakPolarHBondContact O-CB 3.42Å; I457-V461 WeakPolarHBondContact O-CG2 3.36Å; I457-V461 PolarHBondContact O-N 2.64Å; I457-L518 HydrophobicContact CD1-CD2 3.69Å; I457-L518 HydrophobicContact CG2-CD1 3.64Å; I457-L518 HydrophobicContact CG2-CD2 3.98Å; I457-L518 HydrophobicContact CG2-CG 4.41Å
458	V	39.5	Very low	40.5	Very low	61 Å²	61	59.4 Å²	59.4	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-70.9	-52.9	-177.1	179.3	0	0	0	0	111.6	Y456 Y460 V461 D462 F618	Y456-V458 PolarHBondContact O-N 3.14Å; V458-Y460 VanDerWaalsContact C-N 3.27Å; V458-Y460 PolarHBondContact O-N 3.37Å; V458-V461 PolarHBondContact O-N 2.83Å; V458-D462 PolarHBondContact O-N 3.49Å; V458-F618 HydrophobicContact CB-CE2 4.16Å; V458-F618 HydrophobicContact CB-CZ 4.37Å; V458-F618 HydrophobicContact CG2-CE2 4.45Å; V458-F618 HydrophobicContact CG2-CZ 4.27Å
459	P	40.3	Very low	40.2	Very low	54 Å²	54	57.6 Å²	57.6	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-57.1	-38.9	174.2	-25	34.6	0	0	0	113.3	V455 Y456 D462 V463	V455-P459 WeakPolarHBondContact O-CD 3.45Å; Y456-P459 WeakPolarHBondContact O-CD 3.41Å; P459-D462 PolarHBondContact O-N 3.04Å; P459-V463 WeakPolarHBondContact O-CB 3.13Å; P459-V463 VanDerWaalsContact O-CG2 3.3Å; P459-V463 WeakPolarHBondContact O-CG2 3.31Å; P459-V463 PolarHBondContact O-N 2.8Å
460	Y	41.9	Very low	40.1	Very low	23 Å²	23	60.7 Å²	60.7	9%	0.09	33%	0.333	C	S	.	.	H	α-helix	trans	-69.1	-39.7	179.6	-175.6	-109.6	0	0	0	112.5	V437 L446 L450 Y456 V458 V464 L472	V437-Y460 HydrophobicContact CB-CE2 4.17Å; V437-Y460 HydrophobicContact CG1-CD2 4.37Å; V437-Y460 HydrophobicContact CG1-CE2 3.38Å; V437-Y460 WeakPolarHBondContact CG1-OH 3.5Å; L446-Y460 HydrophobicContact CD1-CD1 4.48Å; L446-Y460 HydrophobicContact CD1-CE1 3.66Å; L446-Y460 HydrophobicContact CD1-CE2 4.48Å; L446-Y460 HydrophobicContact CD2-CE1 4.05Å; L446-Y460 WeakPolarHBondContact CD2-OH 3.48Å; L446-Y460 HydrophobicContact CG-CE1 4.36Å; L450-Y460 HydrophobicContact CD1-CD1 4.24Å; L450-Y460 HydrophobicContact CD1-CE1 4.27Å; L450-Y460 HydrophobicContact CD2-CD1 4.01Å; L450-Y460 HydrophobicContact CD2-CG 4.46Å; Y456-Y460 WeakPolarHBondContact O-CB 3.41Å; Y456-Y460 PolarHBondContact O-N 3.4Å; V458-Y460 VanDerWaalsContact C-N 3.27Å; V458-Y460 PolarHBondContact O-N 3.37Å; Y460-V464 HydrophobicContact CD2-CG2 3.8Å; Y460-V464 HydrophobicContact CE1-CG2 4.45Å; Y460-V464 HydrophobicContact CE2-CG2 3.52Å; Y460-V464 HydrophobicContact CG-CG2 4.36Å; Y460-V464 VanDerWaalsContact O-CB 3.28Å; Y460-V464 WeakPolarHBondContact O-CB 3.39Å; Y460-V464 VanDerWaalsContact O-CG2 3.28Å; Y460-V464 WeakPolarHBondContact O-CG2 3.25Å; Y460-V464 PolarHBondContact O-N 3.38Å; Y460-L472 HydrophobicContact CD1-CD2 4.48Å; Y460-L472 HydrophobicContact CE1-CD2 3.56Å
461	V	42.1	Very low	39.9	Very low	21 Å²	21	68.1 Å²	68.1	13%	0.127	37%	0.365	C	S	.	.	H	α-helix	trans	-65.7	-43	174	166.1	0	0	0	0	111.2	I457 V458 S465 L476	I457-V461 HydrophobicContact CG2-CG2 4.2Å; I457-V461 VanDerWaalsContact O-CB 3.31Å; I457-V461 WeakPolarHBondContact O-CB 3.42Å; I457-V461 WeakPolarHBondContact O-CG2 3.36Å; I457-V461 PolarHBondContact O-N 2.64Å; V458-V461 PolarHBondContact O-N 2.83Å; V461-S465 VanDerWaalsContact O-CB 3.28Å; V461-S465 WeakPolarHBondContact O-CB 3.21Å; V461-S465 PolarHBondContact O-N 3.14Å; V461-L476 HydrophobicContact CG2-CD2 4.11Å
462	D	41.6	Very low	39.9	Very low	87 Å²	87	64.2 Å²	64.2	47%	0.465	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-42	-180	-74.7	-18.8	0	0	0	112.2	V458 P459 S465 Q466	V458-D462 PolarHBondContact O-N 3.49Å; P459-D462 PolarHBondContact O-N 3.04Å; D462-S465 PolarHBondContact O-OG 3.27Å; D462-Q466 PolarHBondContact O-NE2 3.3Å
463	V	38.8	Very low	40.1	Very low	53 Å²	53	62.1 Å²	62.1	32%	0.321	33%	0.333	S	S	.	.	H	α-helix	trans	-71.2	-44.6	177.5	172.7	0	0	0	0	111.9	V434 P459 S465 Q466	V434-V463 HydrophobicContact CG1-CG1 3.63Å; V434-V463 HydrophobicContact CG2-CG1 4.02Å; P459-V463 WeakPolarHBondContact O-CB 3.13Å; P459-V463 VanDerWaalsContact O-CG2 3.3Å; P459-V463 WeakPolarHBondContact O-CG2 3.31Å; P459-V463 PolarHBondContact O-N 2.8Å; V463-S465 VanDerWaalsContact C-N 3.31Å; V463-S465 PolarHBondContact O-N 2.99Å; V463-Q466 WeakPolarHBondContact O-CB 3.4Å; V463-Q466 PolarHBondContact O-N 3.08Å
464	V	38.1	Very low	40.5	Very low	2 Å²	2	64.3 Å²	64.3	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-81	-11.6	-176.5	-172.8	0	0	0	0	113	Y460 Q466 L472	Y460-V464 HydrophobicContact CD2-CG2 3.8Å; Y460-V464 HydrophobicContact CE1-CG2 4.45Å; Y460-V464 HydrophobicContact CE2-CG2 3.52Å; Y460-V464 HydrophobicContact CG-CG2 4.36Å; Y460-V464 VanDerWaalsContact O-CB 3.28Å; Y460-V464 WeakPolarHBondContact O-CB 3.39Å; Y460-V464 VanDerWaalsContact O-CG2 3.28Å; Y460-V464 WeakPolarHBondContact O-CG2 3.25Å; Y460-V464 PolarHBondContact O-N 3.38Å; V464-Q466 PolarHBondContact O-N 3.46Å; V464-L472 HydrophobicContact CB-CD2 4.03Å; V464-L472 HydrophobicContact CG1-CD1 3.8Å; V464-L472 HydrophobicContact CG1-CD2 3.48Å; V464-L472 VanDerWaalsContact CG1-CD2 3.48Å; V464-L472 HydrophobicContact CG1-CG 4.12Å
465	S	38.1	Very low	40.7	Very low	58 Å²	58	63.3 Å²	63.3	41%	0.406	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.4	164.3	76.9	0	0	0	0	113	V461 D462 V463	V461-S465 VanDerWaalsContact O-CB 3.28Å; V461-S465 WeakPolarHBondContact O-CB 3.21Å; V461-S465 PolarHBondContact O-N 3.14Å; D462-S465 PolarHBondContact O-OG 3.27Å; V463-S465 VanDerWaalsContact C-N 3.31Å; V463-S465 PolarHBondContact O-N 2.99Å
466	Q	38.8	Very low	41	Very low	142 Å²	142	62.4 Å²	62.4	66%	0.664	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-17.3	-171.5	-54.6	178.7	36.5	0	0	114	D462 V463 V464	D462-Q466 PolarHBondContact O-NE2 3.3Å; V463-Q466 WeakPolarHBondContact O-CB 3.4Å; V463-Q466 PolarHBondContact O-N 3.08Å; V464-Q466 PolarHBondContact O-N 3.46Å
467	T	36	Very low	41.1	Very low	77 Å²	77	63.3 Å²	63.3	47%	0.472	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-43.3	-162.3	50.4	0	0	0	0	116.6
468	N	43.1	Very low	41.2	Very low	90 Å²	90	66.3 Å²	66.3	48%	0.481	36%	0.356	S	S	.	.			trans	-165.1	59	171.8	-126.4	-84.1	0	0	0	115.3	V470 K471	N468-V470 PolarHBondContact O-N 3.14Å; N468-K471 HydrophobicContact CB-CD 4.47Å; N468-K471 PolarHBondContact O-N 2.85Å
469	F	39.5	Very low	41.3	Very low	50 Å²	50	63.9 Å²	63.9	22%	0.219	34%	0.342	C	S	.	.	H	α-helix	trans	-51.4	-29.5	-171.1	-160.3	-102.4	0	0	0	116	K471 L472 L473 L476 I511	F469-K471 VanDerWaalsContact C-N 3.33Å; F469-K471 PolarHBondContact O-N 2.95Å; F469-L472 PolarHBondContact O-N 3.28Å; F469-L473 HydrophobicContact CE1-CD1 4.04Å; F469-L473 PolarHBondContact O-N 3.35Å; F469-L476 HydrophobicContact CE2-CD1 3.84Å; F469-L476 HydrophobicContact CZ-CD1 4.01Å; F469-I511 HydrophobicContact CE2-CD1 4.26Å; F469-I511 HydrophobicContact CE2-CG1 4.29Å; F469-I511 HydrophobicContact CZ-CD1 4Å; F469-I511 HydrophobicContact CZ-CG1 3.77Å
470	V	40	Very low	41.3	Very low	125 Å²	125	62.3 Å²	62.3	76%	0.758	33%	0.331	S	S	*	.	H	α-helix	trans	-61.8	-37.1	178.7	-177.8	0	0	0	0	112.3	N468 L472	N468-V470 PolarHBondContact O-N 3.14Å; V470-L472 VanDerWaalsContact C-N 3.32Å; V470-L472 PolarHBondContact O-N 3.02Å
471	K	40.4	Very low	41.3	Very low	163 Å²	163	66.8 Å²	66.8	71%	0.709	36%	0.357	S	S	*	.	H	α-helix	trans	-68.5	-29.6	177.5	-71.3	-175.9	176.6	-179.6	0	112.6	N468 F469 P474	N468-K471 HydrophobicContact CB-CD 4.47Å; N468-K471 PolarHBondContact O-N 2.85Å; F469-K471 VanDerWaalsContact C-N 3.33Å; F469-K471 PolarHBondContact O-N 2.95Å; K471-P474 WeakPolarHBondContact O-CD 3.36Å
472	L	42.6	Very low	41.1	Very low	13 Å²	13	71.2 Å²	71.2	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-89.2	-18.2	-175.2	-114.3	76.6	0	0	0	114.9	L446 Y460 V464 F469 V470 P474 S475 L476	L446-L472 HydrophobicContact CD2-CG 4.45Å; Y460-L472 HydrophobicContact CD1-CD2 4.48Å; Y460-L472 HydrophobicContact CE1-CD2 3.56Å; V464-L472 HydrophobicContact CB-CD2 4.03Å; V464-L472 HydrophobicContact CG1-CD1 3.8Å; V464-L472 HydrophobicContact CG1-CD2 3.48Å; V464-L472 VanDerWaalsContact CG1-CD2 3.48Å; V464-L472 HydrophobicContact CG1-CG 4.12Å; F469-L472 PolarHBondContact O-N 3.28Å; V470-L472 VanDerWaalsContact C-N 3.32Å; V470-L472 PolarHBondContact O-N 3.02Å; L472-P474 VanDerWaalsContact C-N 3.28Å; L472-P474 VanDerWaalsContact O-N 3.17Å; L472-S475 PolarHBondContact O-N 3.11Å; L472-L476 HydrophobicContact CB-CD1 4.16Å; L472-L476 HydrophobicContact CB-CG 4.49Å; L472-L476 HydrophobicContact CD2-CD1 4.22Å; L472-L476 HydrophobicContact CD2-CG 4.34Å; L472-L476 PolarHBondContact O-N 2.91Å
473	L	44.1	Very low	40.8	Very low	75 Å²	75	69 Å²	69	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-52.9	-35.9	-175.8	-163.6	71.3	0	0	0	114.3	F469 K477	F469-L473 HydrophobicContact CE1-CD1 4.04Å; F469-L473 PolarHBondContact O-N 3.35Å; L473-K477 WeakPolarHBondContact O-CB 3.36Å; L473-K477 WeakPolarHBondContact O-CG 3.49Å; L473-K477 PolarHBondContact O-N 3.09Å; L473-K477 VanDerWaalsContact O-N 3.08Å
474	P	45.6	Very low	40.4	Very low	81 Å²	81	69.8 Å²	69.8	53%	0.526	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-44	172.6	-20.1	34.2	0	0	0	113.2	K471 L472 K477 L478	K471-P474 WeakPolarHBondContact O-CD 3.36Å; L472-P474 VanDerWaalsContact C-N 3.28Å; L472-P474 VanDerWaalsContact O-N 3.17Å; P474-K477 WeakPolarHBondContact O-CB 3.32Å; P474-K477 PolarHBondContact O-N 3.1Å; P474-L478 PolarHBondContact O-N 3.39Å
475	S	43.6	Very low	39.8	Very low	7 Å²	7	75.5 Å²	75.5	5%	0.049	41%	0.408	C	S	.	.	H	α-helix	trans	-67.6	-40.5	-180	-48	0	0	0	0	112	P443 L472 L478 C479	P443-S475 WeakPolarHBondContact CB-OG 3.49Å; L472-S475 PolarHBondContact O-N 3.11Å; S475-L478 WeakPolarHBondContact O-CB 3.39Å; S475-L478 PolarHBondContact O-N 3.2Å; S475-C479 PolarHBondContact O-N 3.28Å; S475-C479 PolarHBondContact O-SG 3.41Å
476	L	42.5	Very low	39.3	Very low	11 Å²	11	75.1 Å²	75.1	6%	0.058	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-38.6	175	-75.4	170.2	0	0	0	111.7	V461 F469 L472 C479 V480	V461-L476 HydrophobicContact CG2-CD2 4.11Å; F469-L476 HydrophobicContact CE2-CD1 3.84Å; F469-L476 HydrophobicContact CZ-CD1 4.01Å; L472-L476 HydrophobicContact CB-CD1 4.16Å; L472-L476 HydrophobicContact CB-CG 4.49Å; L472-L476 HydrophobicContact CD2-CD1 4.22Å; L472-L476 HydrophobicContact CD2-CG 4.34Å; L472-L476 PolarHBondContact O-N 2.91Å; L476-C479 PolarHBondContact O-N 2.92Å; L476-V480 VanDerWaalsContact O-CB 3.25Å; L476-V480 WeakPolarHBondContact O-CB 3.45Å; L476-V480 WeakPolarHBondContact O-CG2 3.4Å; L476-V480 PolarHBondContact O-N 3.04Å
477	K	44.8	Very low	38.7	Very low	123 Å²	123	75.4 Å²	75.4	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-59.2	-48.6	167.6	-81.9	179.9	174.5	-179	0	111.2	L473 P474 C479 V480 D481	L473-K477 WeakPolarHBondContact O-CB 3.36Å; L473-K477 WeakPolarHBondContact O-CG 3.49Å; L473-K477 PolarHBondContact O-N 3.09Å; L473-K477 VanDerWaalsContact O-N 3.08Å; P474-K477 WeakPolarHBondContact O-CB 3.32Å; P474-K477 PolarHBondContact O-N 3.1Å; K477-C479 VanDerWaalsContact C-N 3.25Å; K477-C479 PolarHBondContact O-N 2.79Å; K477-V480 CarbonylContact O-C 3.59Å; K477-V480 PolarHBondContact O-N 3.21Å; K477-D481 WeakPolarHBondContact O-CB 3.14Å; K477-D481 VanDerWaalsContact O-CG 3.24Å; K477-D481 PolarHBondContact O-N 3.29Å
478	L	44.4	Very low	38.2	Very low	76 Å²	76	74.4 Å²	74.4	40%	0.398	41%	0.406	S	S	.	.	H	α-helix	trans	-57.4	-37.6	179.6	-144.5	74	0	0	0	112.4	T447 P474 S475 N482	T447-L478 HydrophobicContact CG2-CD2 4.37Å; P474-L478 PolarHBondContact O-N 3.39Å; S475-L478 WeakPolarHBondContact O-CB 3.39Å; S475-L478 PolarHBondContact O-N 3.2Å; L478-N482 WeakPolarHBondContact O-CB 3.5Å; L478-N482 PolarHBondContact O-N 3.41Å; L478-N482 PolarHBondContact O-ND2 3.38Å
479	C	40.7	Very low	37.4	Very low	11 Å²	11	74.9 Å²	74.9	7%	0.074	42%	0.422	C	S	.	.	H	α-helix	trans	-68.9	-45.8	172.2	-61.8	0	0	0	0	112.2	S475 L476 K477 D481 N482 L483	S475-C479 PolarHBondContact O-N 3.28Å; S475-C479 PolarHBondContact O-SG 3.41Å; L476-C479 PolarHBondContact O-N 2.92Å; K477-C479 VanDerWaalsContact C-N 3.25Å; K477-C479 PolarHBondContact O-N 2.79Å; C479-D481 VanDerWaalsContact C-N 3.32Å; C479-D481 PolarHBondContact O-N 2.68Å; C479-N482 PolarHBondContact O-N 3.19Å; C479-L483 WeakPolarHBondContact O-CD1 3.42Å; C479-L483 PolarHBondContact O-N 3.02Å; C479-L483 VanDerWaalsContact O-N 3.09Å
480	V	40	Very low	36.7	Very low	20 Å²	20	79.3 Å²	79.3	12%	0.121	45%	0.447	C	S	.	.	H	α-helix	trans	-70.8	-24.5	-175.2	166.2	0	0	0	0	114	L476 K477 I514 K517	L476-V480 VanDerWaalsContact O-CB 3.25Å; L476-V480 WeakPolarHBondContact O-CB 3.45Å; L476-V480 WeakPolarHBondContact O-CG2 3.4Å; L476-V480 PolarHBondContact O-N 3.04Å; K477-V480 CarbonylContact O-C 3.59Å; K477-V480 PolarHBondContact O-N 3.21Å; V480-I514 HydrophobicContact CG2-CB 4.25Å; V480-I514 HydrophobicContact CG2-CD1 4.26Å; V480-I514 HydrophobicContact CG2-CG1 3.83Å; V480-I514 HydrophobicContact CG2-CG2 3.68Å; V480-K517 HydrophobicContact CG1-CD 3.78Å; V480-K517 PolarHBondContact O-NZ 2.9Å
481	D	42.5	Very low	36.1	Very low	118 Å²	118	75.2 Å²	75.2	63%	0.631	42%	0.424	S	S	*	.	H	α-helix	trans	-91.2	-15	178.1	-63.7	-27.2	0	0	0	112.4	K477 C479	K477-D481 WeakPolarHBondContact O-CB 3.14Å; K477-D481 VanDerWaalsContact O-CG 3.24Å; K477-D481 PolarHBondContact O-N 3.29Å; C479-D481 VanDerWaalsContact C-N 3.32Å; C479-D481 PolarHBondContact O-N 2.68Å
482	N	38.8	Very low	35.6	Very low	113 Å²	113	72.8 Å²	72.8	60%	0.604	42%	0.423	S	S	*	.	H	α-helix	trans	-106.2	-3.6	174.8	-73.5	-72.1	0	0	0	114.4	L478 C479	L478-N482 WeakPolarHBondContact O-CB 3.5Å; L478-N482 PolarHBondContact O-N 3.41Å; L478-N482 PolarHBondContact O-ND2 3.38Å; C479-N482 PolarHBondContact O-N 3.19Å
483	L	33.5	Very low	34.9	Very low	42 Å²	42	80.6 Å²	80.6	22%	0.22	46%	0.459	C	S	.	.	S	Bend	trans	-77.7	131.6	178.5	-123.6	99.3	0	0	0	112.1	C479 L518	C479-L483 WeakPolarHBondContact O-CD1 3.42Å; C479-L483 PolarHBondContact O-N 3.02Å; C479-L483 VanDerWaalsContact O-N 3.09Å; L483-L518 HydrophobicContact CD1-CD2 3.8Å; L483-L518 HydrophobicContact CD2-CD2 3.77Å; L483-L518 HydrophobicContact CD2-CG 4.34Å; L483-L518 HydrophobicContact CG-CD2 4.46Å
484	P	31.8	Very low	34.2	Very low	69 Å²	69	82.7 Å²	82.7	45%	0.448	47%	0.465	S	S	.	.			trans	-59.9	135.1	177.4	-25.3	34.7	0	0	0	113.7	I563	P484-I563 HydrophobicContact CB-CD1 4.25Å; P484-I563 HydrophobicContact CG-CD1 4.07Å
485	V	25.3	Very low	33.6	Very low	121 Å²	121	80.9 Å²	80.9	73%	0.733	45%	0.45	S	S	*	.			trans	-104.2	109.9	179.2	179	0	0	0	0	110.2
486	V	27.2	Very low	33.1	Very low	51 Å²	51	83.2 Å²	83.2	31%	0.309	47%	0.467	S	S	.	.			trans	-134.1	161.8	172.7	-177.7	0	0	0	0	108.6	N524	V486-N524 HydrophobicContact CB-CB 3.97Å; V486-N524 HydrophobicContact CG1-CB 4.25Å; V486-N524 PolarHBondContact O-ND2 3.32Å
487	N	25.7	Very low	32.6	Very low	147 Å²	147	85.8 Å²	85.8	79%	0.786	49%	0.486	S	S	*	.			trans	-150.4	88.9	-152.7	-158.8	17.2	0	0	0	114.9
488	S	27	Very low	32	Very low	57 Å²	57	82.2 Å²	82.2	40%	0.399	47%	0.472	S	S	.	.			trans	-143.6	107	175.1	15.2	0	0	0	0	116.7	L490 E527	S488-L490 PolarHBondContact O-N 2.8Å; S488-E527 PolarHBondContact OG-OE2 3.42Å
489	A	25.5	Very low	31.6	Very low	100 Å²	100	82.9 Å²	82.9	83%	0.826	48%	0.476	S	S	*	.	S	Bend	trans	56.8	-21.4	135.2	0	0	0	0	0	125.5
490	L	24.6	Very low	31.3	Very low	142 Å²	142	88.1 Å²	88.1	74%	0.743	50%	0.503	S	S	*	.			trans	-108.2	-1.1	-161.3	-98.7	160.4	0	0	0	118.8	S488 T492	S488-L490 PolarHBondContact O-N 2.8Å; L490-T492 PolarHBondContact O-N 3.2Å
491	S	27	Very low	30.9	Very low	40 Å²	40	92.7 Å²	92.7	28%	0.28	52%	0.523	S	S	.	.			trans	-89.1	13	-167.1	48.6	0	0	0	0	117.2	H493 I495	S491-H493 PolarHBondContact O-N 3.12Å; S491-I495 WeakPolarHBondContact O-CG1 3.32Å; S491-I495 PolarHBondContact O-N 2.84Å; S491-I495 VanDerWaalsContact OG-CD1 3.32Å; S491-I495 WeakPolarHBondContact OG-CD1 3.38Å
492	T	29.9	Very low	30.2	Very low	112 Å²	112	93 Å²	93	69%	0.687	53%	0.532	S	S	*	.	H	α-helix	trans	-62.1	-34.6	-165.2	-30.9	0	0	0	0	115.3	L490 S496	L490-T492 PolarHBondContact O-N 3.2Å; T492-S496 PolarHBondContact O-N 3.33Å
493	H	27.9	Very low	29.9	Very low	177 Å²	177	90.5 Å²	90.5	82%	0.819	52%	0.523	S	S	*	.	H	α-helix	trans	-79.6	-26.5	-169.3	-148.9	-53.8	0	0	0	114.1	S491	S491-H493 PolarHBondContact O-N 3.12Å
494	F	29.9	Very low	30	Very low	118 Å²	118	94.3 Å²	94.3	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-95.2	-32.2	179.7	-153	-100.3	0	0	0	112	S496 S497 I498	F494-S496 PolarHBondContact O-N 3.49Å; F494-S497 PolarHBondContact O-N 3.03Å; F494-I498 HydrophobicContact CD1-CD1 4.02Å; F494-I498 HydrophobicContact CE1-CD1 4.28Å; F494-I498 PolarHBondContact O-N 3.49Å
495	I	32.6	Very low	30.3	Very low	43 Å²	43	92.8 Å²	92.8	22%	0.221	54%	0.544	C	S	.	.	H	α-helix	trans	-61	-29.5	171.9	-72.2	177.6	0	0	0	111.6	S491 I498 N499	S491-I495 WeakPolarHBondContact O-CG1 3.32Å; S491-I495 PolarHBondContact O-N 2.84Å; S491-I495 VanDerWaalsContact OG-CD1 3.32Å; S491-I495 WeakPolarHBondContact OG-CD1 3.38Å; I495-I498 PolarHBondContact O-N 2.92Å; I495-N499 WeakPolarHBondContact O-CB 3.46Å; I495-N499 PolarHBondContact O-N 3.18Å; I495-N499 PolarHBondContact O-ND2 3.13Å; I495-N499 PolarHBondContact O-OD1 2.78Å
496	S	32.7	Very low	30.8	Very low	56 Å²	56	91.6 Å²	91.6	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-54.3	-52.9	172.3	-172	0	0	0	0	112.1	T492 F494 I498 N499 N500	T492-S496 PolarHBondContact O-N 3.33Å; F494-S496 PolarHBondContact O-N 3.49Å; S496-I498 PolarHBondContact O-N 3.23Å; S496-N499 PolarHBondContact O-N 3.48Å; S496-N499 VanDerWaalsContact O-N 3.13Å; S496-N500 VanDerWaalsContact O-CG 3.28Å; S496-N500 PolarHBondContact O-N 3.1Å; S496-N500 PolarHBondContact O-ND2 2.89Å
497	S	32.9	Very low	31.1	Very low	66 Å²	66	92 Å²	92	46%	0.462	55%	0.546	S	S	.	.	H	α-helix	trans	-61.2	-41.7	-179.6	-50.2	0	0	0	0	112.4	F494 N499 N500	F494-S497 PolarHBondContact O-N 3.03Å; S497-N499 VanDerWaalsContact C-N 3.27Å; S497-N499 PolarHBondContact O-N 2.96Å; S497-N500 PolarHBondContact O-N 2.98Å
498	I	31.5	Very low	31.7	Very low	47 Å²	47	88 Å²	88	24%	0.241	52%	0.523	C	S	.	.	H	α-helix	trans	-68.2	-24.9	178.6	-63.2	171.7	0	0	0	112.4	F494 I495 S496 R512	F494-I498 HydrophobicContact CD1-CD1 4.02Å; F494-I498 HydrophobicContact CE1-CD1 4.28Å; F494-I498 PolarHBondContact O-N 3.49Å; I495-I498 PolarHBondContact O-N 2.92Å; S496-I498 PolarHBondContact O-N 3.23Å; I498-R512 HydrophobicContact CG2-CG 4.4Å; I498-R512 PolarHBondContact O-NH1 3.37Å
499	N	35.8	Very low	32.5	Very low	90 Å²	90	91.9 Å²	91.9	48%	0.481	54%	0.535	S	S	.	.	H	α-helix	trans	-84.8	-19.1	-179.4	-70.8	-8.7	0	0	0	113.4	I495 S496 S497 K516	I495-N499 WeakPolarHBondContact O-CB 3.46Å; I495-N499 PolarHBondContact O-N 3.18Å; I495-N499 PolarHBondContact O-ND2 3.13Å; I495-N499 PolarHBondContact O-OD1 2.78Å; S496-N499 PolarHBondContact O-N 3.48Å; S496-N499 VanDerWaalsContact O-N 3.13Å; S497-N499 VanDerWaalsContact C-N 3.27Å; S497-N499 PolarHBondContact O-N 2.96Å; N499-K516 PolarHBondContact OD1-NZ 3.39Å
500	N	35.4	Very low	33.2	Very low	121 Å²	121	90 Å²	90	65%	0.647	52%	0.515	S	S	*	.	S	Bend	trans	-89.8	-3.8	-168.2	-69.6	-18.7	0	0	0	115.7	S496 S497	S496-N500 VanDerWaalsContact O-CG 3.28Å; S496-N500 PolarHBondContact O-N 3.1Å; S496-N500 PolarHBondContact O-ND2 2.89Å; S497-N500 PolarHBondContact O-N 2.98Å
501	H	31.9	Very low	33.8	Very low	116 Å²	116	85.5 Å²	85.5	54%	0.537	49%	0.491	S	S	.	.			trans	-91.2	122.5	177	-99.7	-86.3	0	0	0	113.2	R512	H501-R512 PolarHBondContact O-NH1 3.33Å; H501-R512 PolarHBondContact O-NH2 3.04Å
502	P	27.8	Very low	34.5	Very low	125 Å²	125	86.9 Å²	86.9	81%	0.812	49%	0.491	S	S	*	.			trans	-85.4	111	175.3	33.3	-31.7	0	0	0	111.7
503	S	33.2	Very low	35.2	Very low	60 Å²	60	89.3 Å²	89.3	42%	0.42	49%	0.492	S	S	.	.			trans	-156.7	153.7	173.8	53.4	0	0	0	0	109.7	E508 R512	S503-E508 WeakPolarHBondContact CB-OE1 3.38Å; S503-E508 PolarHBondContact OG-OE1 3.09Å; S503-R512 PolarHBondContact OG-NH2 2.89Å
504	S	33.9	Very low	35.9	Very low	123 Å²	123	82.2 Å²	82.2	86%	0.86	46%	0.46	S	S	*	.			trans	-116.5	3	-149.2	53.6	0	0	0	0	116.8
505	S	39.7	Very low	36.4	Very low	37 Å²	37	78.3 Å²	78.3	26%	0.259	45%	0.447	S	S	.	.			trans	-88	146	-173.9	75.8	0	0	0	0	114.8	S507 E508 Q509	S505-S507 VanDerWaalsContact C-N 3.28Å; S505-S507 WeakPolarHBondContact CB-OG 3.45Å; S505-S507 PolarHBondContact O-N 2.97Å; S505-S507 PolarHBondContact OG-OG 2.89Å; S505-S507 VanDerWaalsContact OG-OG 3.04Å; S505-E508 WeakPolarHBondContact CB-OE2 3.48Å; S505-E508 PolarHBondContact N-OE2 3.32Å; S505-E508 PolarHBondContact O-N 3.19Å; S505-E508 WeakPolarHBondContact OG-CB 3.24Å; S505-E508 VanDerWaalsContact OG-CD 3.3Å; S505-E508 WeakPolarHBondContact OG-CG 3.35Å; S505-E508 PolarHBondContact OG-N 2.92Å; S505-E508 VanDerWaalsContact OG-N 3.1Å; S505-E508 PolarHBondContact OG-OE2 2.86Å; S505-Q509 PolarHBondContact O-N 3.46Å; S505-Q509 VanDerWaalsContact O-N 3.14Å
506	S	35.3	Very low	37	Very low	95 Å²	95	79.4 Å²	79.4	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-71.9	-23.3	174.9	61	0	0	0	0	112.9	S510	S506-S510 WeakPolarHBondContact O-CB 3.44Å; S506-S510 PolarHBondContact O-N 3.19Å; S506-S510 PolarHBondContact O-OG 2.77Å
507	S	34.1	Very low	37.5	Very low	59 Å²	59	81.1 Å²	81.1	41%	0.413	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-50.1	166.9	32.5	0	0	0	0	111.4	S505 Q509 S510 I511	S505-S507 VanDerWaalsContact C-N 3.28Å; S505-S507 WeakPolarHBondContact CB-OG 3.45Å; S505-S507 PolarHBondContact O-N 2.97Å; S505-S507 PolarHBondContact OG-OG 2.89Å; S505-S507 VanDerWaalsContact OG-OG 3.04Å; S507-Q509 PolarHBondContact O-N 3.07Å; S507-S510 WeakPolarHBondContact O-CB 3.46Å; S507-S510 PolarHBondContact O-N 3.17Å; S507-S510 VanDerWaalsContact O-N 3.11Å; S507-I511 WeakPolarHBondContact O-CG1 3.44Å; S507-I511 PolarHBondContact O-N 3.18Å
508	E	38.5	Very low	37.9	Very low	65 Å²	65	78.9 Å²	78.9	30%	0.304	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-40.8	175	-75.7	167.9	95.3	0	0	112.4	S503 S505 S510 I511 R512	S503-E508 WeakPolarHBondContact CB-OE1 3.38Å; S503-E508 PolarHBondContact OG-OE1 3.09Å; S505-E508 WeakPolarHBondContact CB-OE2 3.48Å; S505-E508 PolarHBondContact N-OE2 3.32Å; S505-E508 PolarHBondContact O-N 3.19Å; S505-E508 WeakPolarHBondContact OG-CB 3.24Å; S505-E508 VanDerWaalsContact OG-CD 3.3Å; S505-E508 WeakPolarHBondContact OG-CG 3.35Å; S505-E508 PolarHBondContact OG-N 2.92Å; S505-E508 VanDerWaalsContact OG-N 3.1Å; S505-E508 PolarHBondContact OG-OE2 2.86Å; E508-S510 PolarHBondContact O-N 3.14Å; E508-I511 PolarHBondContact O-N 3.21Å; E508-R512 WeakPolarHBondContact O-CB 3.39Å; E508-R512 WeakPolarHBondContact O-CG 3.4Å; E508-R512 PolarHBondContact O-N 3.4Å
509	Q	41.8	Very low	38.4	Very low	137 Å²	137	79.3 Å²	79.3	64%	0.64	44%	0.435	S	S	*	.	H	α-helix	trans	-61.6	-34.6	174.9	-70.5	-169.3	3.2	0	0	112.3	S505 S507 K513	S505-Q509 PolarHBondContact O-N 3.46Å; S505-Q509 VanDerWaalsContact O-N 3.14Å; S507-Q509 PolarHBondContact O-N 3.07Å; Q509-K513 WeakPolarHBondContact O-CB 3.34Å; Q509-K513 PolarHBondContact O-N 3.06Å; Q509-K513 VanDerWaalsContact O-N 3.14Å
510	S	40.8	Very low	38.9	Very low	60 Å²	60	77.6 Å²	77.6	42%	0.42	43%	0.426	S	S	.	.	H	α-helix	trans	-69.7	-44.9	174.9	-58.4	0	0	0	0	111.3	S506 S507 E508 K513 I514	S506-S510 WeakPolarHBondContact O-CB 3.44Å; S506-S510 PolarHBondContact O-N 3.19Å; S506-S510 PolarHBondContact O-OG 2.77Å; S507-S510 WeakPolarHBondContact O-CB 3.46Å; S507-S510 PolarHBondContact O-N 3.17Å; S507-S510 VanDerWaalsContact O-N 3.11Å; E508-S510 PolarHBondContact O-N 3.14Å; S510-K513 WeakPolarHBondContact O-CB 3.16Å; S510-K513 PolarHBondContact O-N 3.2Å; S510-I514 VanDerWaalsContact O-CG1 3.3Å; S510-I514 WeakPolarHBondContact O-CG1 3.38Å; S510-I514 PolarHBondContact O-N 3.37Å
511	I	37.4	Very low	39.3	Very low	48 Å²	48	72.6 Å²	72.6	25%	0.246	40%	0.403	C	S	.	.	H	α-helix	trans	-59.4	-52.6	174.5	-67.1	162.5	0	0	0	110.4	F469 S507 E508 K513 I514 S515	F469-I511 HydrophobicContact CE2-CD1 4.26Å; F469-I511 HydrophobicContact CE2-CG1 4.29Å; F469-I511 HydrophobicContact CZ-CD1 4Å; F469-I511 HydrophobicContact CZ-CG1 3.77Å; S507-I511 WeakPolarHBondContact O-CG1 3.44Å; S507-I511 PolarHBondContact O-N 3.18Å; E508-I511 PolarHBondContact O-N 3.21Å; I511-K513 PolarHBondContact O-N 2.88Å; I511-K513 VanDerWaalsContact O-N 3.11Å; I511-I514 PolarHBondContact O-N 3.01Å; I511-S515 PolarHBondContact O-N 2.95Å; I511-S515 PolarHBondContact O-OG 3.47Å; I511-S515 VanDerWaalsContact O-OG 3.13Å
512	R	40.9	Very low	39.9	Very low	70 Å²	70	68.9 Å²	68.9	26%	0.264	39%	0.386	S	S	.	.	H	α-helix	trans	-57.4	-28.7	176.9	-67.7	-170.8	-161.3	-166.4	18.6	112.7	I498 H501 S503 E508 K516	I498-R512 HydrophobicContact CG2-CG 4.4Å; I498-R512 PolarHBondContact O-NH1 3.37Å; H501-R512 PolarHBondContact O-NH1 3.33Å; H501-R512 PolarHBondContact O-NH2 3.04Å; S503-R512 PolarHBondContact OG-NH2 2.89Å; E508-R512 WeakPolarHBondContact O-CB 3.39Å; E508-R512 WeakPolarHBondContact O-CG 3.4Å; E508-R512 PolarHBondContact O-N 3.4Å; R512-K516 WeakPolarHBondContact O-CB 3.4Å; R512-K516 WeakPolarHBondContact O-CG 3.47Å; R512-K516 PolarHBondContact O-N 2.99Å
513	K	45.7	Very low	40.6	Very low	162 Å²	162	68.2 Å²	68.2	70%	0.704	37%	0.37	S	S	*	.	H	α-helix	trans	-73.2	-44.4	171.3	-104.8	178.1	176.8	173.3	0	112.8	Q509 S510 I511 K517	Q509-K513 WeakPolarHBondContact O-CB 3.34Å; Q509-K513 PolarHBondContact O-N 3.06Å; Q509-K513 VanDerWaalsContact O-N 3.14Å; S510-K513 WeakPolarHBondContact O-CB 3.16Å; S510-K513 PolarHBondContact O-N 3.2Å; I511-K513 PolarHBondContact O-N 2.88Å; I511-K513 VanDerWaalsContact O-N 3.11Å; K513-K517 PolarHBondContact O-N 2.84Å; K513-K517 VanDerWaalsContact O-N 3.09Å
514	I	42.3	Very low	41.3	Very low	29 Å²	29	66 Å²	66	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-48.6	-178.7	-70.4	172.1	0	0	0	110.3	V480 S510 I511 K516 K517 L518	V480-I514 HydrophobicContact CG2-CB 4.25Å; V480-I514 HydrophobicContact CG2-CD1 4.26Å; V480-I514 HydrophobicContact CG2-CG1 3.83Å; V480-I514 HydrophobicContact CG2-CG2 3.68Å; S510-I514 VanDerWaalsContact O-CG1 3.3Å; S510-I514 WeakPolarHBondContact O-CG1 3.38Å; S510-I514 PolarHBondContact O-N 3.37Å; I511-I514 PolarHBondContact O-N 3.01Å; I514-K516 VanDerWaalsContact C-N 3.34Å; I514-K516 PolarHBondContact O-N 3.42Å; I514-K517 WeakPolarHBondContact O-CB 3.33Å; I514-K517 PolarHBondContact O-N 3.39Å; I514-K517 VanDerWaalsContact O-N 3.14Å; I514-L518 HydrophobicContact CG2-CD1 3.82Å; I514-L518 PolarHBondContact O-N 3.39Å
515	S	40.5	Very low	41.8	Very low	36 Å²	36	63.8 Å²	63.8	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-40.3	177	-46.8	0	0	0	0	111.9	I511 K517 L518 I519	I511-S515 PolarHBondContact O-N 2.95Å; I511-S515 PolarHBondContact O-OG 3.47Å; I511-S515 VanDerWaalsContact O-OG 3.13Å; S515-K517 PolarHBondContact O-N 3.38Å; S515-L518 PolarHBondContact O-N 3.05Å; S515-I519 WeakPolarHBondContact O-CB 3.41Å; S515-I519 WeakPolarHBondContact O-CD1 3.47Å; S515-I519 VanDerWaalsContact O-CG1 3.25Å; S515-I519 WeakPolarHBondContact O-CG1 3.5Å; S515-I519 PolarHBondContact O-N 2.94Å
516	K	44.1	Very low	41.9	Very low	65 Å²	65	63.8 Å²	63.8	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-40.2	173.5	-89.4	178.4	176.2	166.1	0	113	N499 R512 I514 N520	N499-K516 PolarHBondContact OD1-NZ 3.39Å; R512-K516 WeakPolarHBondContact O-CB 3.4Å; R512-K516 WeakPolarHBondContact O-CG 3.47Å; R512-K516 PolarHBondContact O-N 2.99Å; I514-K516 VanDerWaalsContact C-N 3.34Å; I514-K516 PolarHBondContact O-N 3.42Å; K516-N520 WeakPolarHBondContact O-CB 3.47Å; K516-N520 VanDerWaalsContact O-CG 3.3Å; K516-N520 PolarHBondContact O-N 2.73Å
517	K	43.6	Very low	42.4	Very low	93 Å²	93	63.6 Å²	63.6	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-50.4	174.6	-94	-173.7	160.1	-162.5	0	111.5	V480 K513 I514 S515 N520 G521	V480-K517 HydrophobicContact CG1-CD 3.78Å; V480-K517 PolarHBondContact O-NZ 2.9Å; K513-K517 PolarHBondContact O-N 2.84Å; K513-K517 VanDerWaalsContact O-N 3.09Å; I514-K517 WeakPolarHBondContact O-CB 3.33Å; I514-K517 PolarHBondContact O-N 3.39Å; I514-K517 VanDerWaalsContact O-N 3.14Å; S515-K517 PolarHBondContact O-N 3.38Å; K517-N520 PolarHBondContact O-N 3.17Å; K517-G521 PolarHBondContact O-N 3.49Å
518	L	41	Very low	43	Very low	18 Å²	18	62.2 Å²	62.2	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-50.2	-178.1	-82.7	156.8	0	0	0	112.5	I457 L483 I514 S515 N520 G521 H522	I457-L518 HydrophobicContact CD1-CD2 3.69Å; I457-L518 HydrophobicContact CG2-CD1 3.64Å; I457-L518 HydrophobicContact CG2-CD2 3.98Å; I457-L518 HydrophobicContact CG2-CG 4.41Å; L483-L518 HydrophobicContact CD1-CD2 3.8Å; L483-L518 HydrophobicContact CD2-CD2 3.77Å; L483-L518 HydrophobicContact CD2-CG 4.34Å; L483-L518 HydrophobicContact CG-CD2 4.46Å; I514-L518 HydrophobicContact CG2-CD1 3.82Å; I514-L518 PolarHBondContact O-N 3.39Å; S515-L518 PolarHBondContact O-N 3.05Å; L518-N520 PolarHBondContact O-N 3.14Å; L518-G521 PolarHBondContact O-N 3.15Å; L518-G521 VanDerWaalsContact O-N 3.11Å; L518-H522 PolarHBondContact O-CD2 3.49Å; L518-H522 PolarHBondContact O-N 3.47Å; L518-H522 VanDerWaalsContact O-N 3.13Å
519	I	41.9	Very low	43.2	Very low	56 Å²	56	60.3 Å²	60.3	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-45.3	179.6	-67.8	166.4	0	0	0	110.7	S515 G521 H522 F523	S515-I519 WeakPolarHBondContact O-CB 3.41Å; S515-I519 WeakPolarHBondContact O-CD1 3.47Å; S515-I519 VanDerWaalsContact O-CG1 3.25Å; S515-I519 WeakPolarHBondContact O-CG1 3.5Å; S515-I519 PolarHBondContact O-N 2.94Å; I519-G521 VanDerWaalsContact C-N 3.33Å; I519-G521 PolarHBondContact O-N 3.42Å; I519-H522 PolarHBondContact O-N 2.89Å; I519-F523 HydrophobicContact CG2-CD2 3.93Å; I519-F523 HydrophobicContact CG2-CE2 3.91Å; I519-F523 WeakPolarHBondContact O-CD2 2.97Å; I519-F523 PolarHBondContact O-N 2.78Å
520	N	46.5	Very low	43.3	Very low	55 Å²	55	54.9 Å²	54.9	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-41.9	175.1	-76.6	0.6	0	0	0	111.8	K516 K517 L518 H522 F523 N524	K516-N520 WeakPolarHBondContact O-CB 3.47Å; K516-N520 VanDerWaalsContact O-CG 3.3Å; K516-N520 PolarHBondContact O-N 2.73Å; K517-N520 PolarHBondContact O-N 3.17Å; L518-N520 PolarHBondContact O-N 3.14Å; N520-H522 VanDerWaalsContact C-N 3.34Å; N520-H522 PolarHBondContact O-N 3.24Å; N520-F523 PolarHBondContact O-N 3.15Å; N520-N524 VanDerWaalsContact O-CG 3.23Å; N520-N524 PolarHBondContact O-N 3.14Å; N520-N524 PolarHBondContact O-ND2 3.12Å
521	G	45	Very low	43.7	Very low	16 Å²	16	55.8 Å²	55.8	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-54.4	-45.8	176.1	0	0	0	0	0	113.3	K517 L518 I519 N524 L525	K517-G521 PolarHBondContact O-N 3.49Å; L518-G521 PolarHBondContact O-N 3.15Å; L518-G521 VanDerWaalsContact O-N 3.11Å; I519-G521 VanDerWaalsContact C-N 3.33Å; I519-G521 PolarHBondContact O-N 3.42Å; G521-N524 PolarHBondContact O-N 3.42Å; G521-L525 PolarHBondContact O-N 3.37Å; G521-L525 VanDerWaalsContact O-N 3.1Å
522	H	43.1	Very low	43.9	Very low	38 Å²	38	55 Å²	55	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-43.1	176.2	-81.5	-116.9	0	0	0	113	L518 I519 N520 L525 L526 Y611	L518-H522 PolarHBondContact O-CD2 3.49Å; L518-H522 PolarHBondContact O-N 3.47Å; L518-H522 VanDerWaalsContact O-N 3.13Å; I519-H522 PolarHBondContact O-N 2.89Å; N520-H522 VanDerWaalsContact C-N 3.34Å; N520-H522 PolarHBondContact O-N 3.24Å; H522-L525 PolarHBondContact O-N 3.05Å; H522-L526 WeakPolarHBondContact O-CG 3.38Å; H522-L526 PolarHBondContact O-N 2.95Å; H522-Y611 PolarHBondContact ND1-OH 2.87Å
523	F	43.9	Very low	43.9	Very low	110 Å²	110	53.7 Å²	53.7	48%	0.482	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-41.8	178.6	-86	-74	0	0	0	112.3	I519 N520 L525 L526 E527	I519-F523 HydrophobicContact CG2-CD2 3.93Å; I519-F523 HydrophobicContact CG2-CE2 3.91Å; I519-F523 WeakPolarHBondContact O-CD2 2.97Å; I519-F523 PolarHBondContact O-N 2.78Å; N520-F523 PolarHBondContact O-N 3.15Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.38Å; F523-L526 PolarHBondContact O-N 3.08Å; F523-E527 WeakPolarHBondContact O-CB 3.46Å; F523-E527 PolarHBondContact O-N 3.29Å
524	N	46.3	Very low	43.7	Very low	15 Å²	15	52.2 Å²	52.2	8%	0.08	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-35.3	175.3	-62	-45.2	0	0	0	112.6	V486 N520 G521 S528	V486-N524 HydrophobicContact CB-CB 3.97Å; V486-N524 HydrophobicContact CG1-CB 4.25Å; V486-N524 PolarHBondContact O-ND2 3.32Å; N520-N524 VanDerWaalsContact O-CG 3.23Å; N520-N524 PolarHBondContact O-N 3.14Å; N520-N524 PolarHBondContact O-ND2 3.12Å; G521-N524 PolarHBondContact O-N 3.42Å; N524-S528 WeakPolarHBondContact O-CB 3.45Å; N524-S528 PolarHBondContact O-N 3.3Å; N524-S528 PolarHBondContact O-OG 3.12Å
525	L	45.1	Very low	43.6	Very low	76 Å²	76	52 Å²	52	40%	0.398	26%	0.263	S	S	.	.	H	α-helix	trans	-67.7	-45.3	176	-178.8	60.2	0	0	0	110.9	G521 H522 F523 E527 S528 L529 Y611	G521-L525 PolarHBondContact O-N 3.37Å; G521-L525 VanDerWaalsContact O-N 3.1Å; H522-L525 PolarHBondContact O-N 3.05Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.38Å; L525-E527 PolarHBondContact O-N 3.36Å; L525-S528 PolarHBondContact O-N 3.49Å; L525-L529 HydrophobicContact CD1-CD1 4.42Å; L525-L529 HydrophobicContact CD1-CG 4.46Å; L525-L529 HydrophobicContact CG-CD1 4.2Å; L525-L529 WeakPolarHBondContact O-CB 3.2Å; L525-L529 VanDerWaalsContact O-CG 3.28Å; L525-L529 WeakPolarHBondContact O-CG 3.47Å; L525-L529 PolarHBondContact O-N 2.98Å; L525-Y611 HydrophobicContact CD2-CE2 4.29Å
526	L	42.3	Very low	43.3	Very low	37 Å²	37	52.5 Å²	52.5	19%	0.194	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-40.2	174.1	-75.1	163.7	0	0	0	112.4	H522 F523 L529 S530 Y611 L612 Y615	H522-L526 WeakPolarHBondContact O-CG 3.38Å; H522-L526 PolarHBondContact O-N 2.95Å; F523-L526 PolarHBondContact O-N 3.08Å; L526-L529 PolarHBondContact O-N 3.47Å; L526-S530 WeakPolarHBondContact O-CB 3.41Å; L526-S530 PolarHBondContact O-N 2.98Å; L526-Y611 HydrophobicContact CD2-CE1 3.85Å; L526-Y611 HydrophobicContact CG-CE1 4.32Å; L526-L612 HydrophobicContact CD2-CD2 4.42Å; L526-Y615 HydrophobicContact CD1-CD1 4.48Å; L526-Y615 HydrophobicContact CD1-CE1 3.89Å; L526-Y615 HydrophobicContact CD1-CE2 4.31Å
527	E	46.1	Very low	42.9	Very low	90 Å²	90	53 Å²	53	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-64.5	-42.9	174.8	-173.4	164.1	-127	0	0	111.5	S488 F523 L525 S530 E531	S488-E527 PolarHBondContact OG-OE2 3.42Å; F523-E527 WeakPolarHBondContact O-CB 3.46Å; F523-E527 PolarHBondContact O-N 3.29Å; L525-E527 PolarHBondContact O-N 3.36Å; E527-S530 WeakPolarHBondContact O-CB 3.39Å; E527-S530 PolarHBondContact O-N 3.07Å; E527-E531 PolarHBondContact O-N 2.91Å
528	S	46.4	Very low	42.4	Very low	31 Å²	31	55.2 Å²	55.2	22%	0.217	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-40.3	175.4	-58.3	0	0	0	0	112.7	N524 L525 E531 L532 N559	N524-S528 WeakPolarHBondContact O-CB 3.45Å; N524-S528 PolarHBondContact O-N 3.3Å; N524-S528 PolarHBondContact O-OG 3.12Å; L525-S528 PolarHBondContact O-N 3.49Å; S528-E531 PolarHBondContact O-N 2.97Å; S528-L532 WeakPolarHBondContact O-CG 3.49Å; S528-L532 PolarHBondContact O-N 3.47Å; S528-L532 VanDerWaalsContact O-N 3.11Å; S528-N559 PolarHBondContact OG-ND2 3.22Å
529	L	43.3	Very low	41.9	Very low	25 Å²	25	56.8 Å²	56.8	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-35.3	174.6	-69.8	171.8	0	0	0	111.6	L525 L526 L532 T533 I608 Y611	L525-L529 HydrophobicContact CD1-CD1 4.42Å; L525-L529 HydrophobicContact CD1-CG 4.46Å; L525-L529 HydrophobicContact CG-CD1 4.2Å; L525-L529 WeakPolarHBondContact O-CB 3.2Å; L525-L529 VanDerWaalsContact O-CG 3.28Å; L525-L529 WeakPolarHBondContact O-CG 3.47Å; L525-L529 PolarHBondContact O-N 2.98Å; L526-L529 PolarHBondContact O-N 3.47Å; L529-L532 HydrophobicContact CD2-CD1 4.25Å; L529-L532 PolarHBondContact O-N 2.72Å; L529-T533 PolarHBondContact O-N 3.21Å; L529-T533 VanDerWaalsContact O-N 3.14Å; L529-I608 HydrophobicContact CD2-CD1 4.34Å; L529-I608 HydrophobicContact CD2-CG1 4.17Å; L529-Y611 HydrophobicContact CD1-CD1 4.14Å; L529-Y611 HydrophobicContact CD1-CE1 4.24Å
530	S	43.9	Very low	41.4	Very low	23 Å²	23	59.1 Å²	59.1	16%	0.161	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-48.4	172.9	-172.6	0	0	0	0	111.4	L526 E527 L532 T533 K534	L526-S530 WeakPolarHBondContact O-CB 3.41Å; L526-S530 PolarHBondContact O-N 2.98Å; E527-S530 WeakPolarHBondContact O-CB 3.39Å; E527-S530 PolarHBondContact O-N 3.07Å; S530-L532 VanDerWaalsContact C-N 3.34Å; S530-L532 PolarHBondContact O-N 3.4Å; S530-T533 PolarHBondContact O-N 3.35Å; S530-T533 VanDerWaalsContact O-N 3.07Å; S530-T533 PolarHBondContact O-OG1 3.49Å; S530-K534 WeakPolarHBondContact O-CG 3.42Å; S530-K534 PolarHBondContact O-N 3.07Å; S530-K534 WeakPolarHBondContact OG-CE 3.24Å
531	E	48.2	Very low	40.8	Very low	79 Å²	79	63.4 Å²	63.4	37%	0.369	35%	0.345	S	S	.	.	H	α-helix	trans	-59.6	-40.9	175.4	-74.4	-59.3	126.3	0	0	112.7	E527 S528 T533 K534 I535 L555	E527-E531 PolarHBondContact O-N 2.91Å; S528-E531 PolarHBondContact O-N 2.97Å; E531-T533 VanDerWaalsContact C-N 3.26Å; E531-T533 PolarHBondContact O-N 3.19Å; E531-K534 WeakPolarHBondContact O-CB 3.45Å; E531-K534 PolarHBondContact O-N 2.74Å; E531-K534 WeakPolarHBondContact OE1-CD 3.15Å; E531-K534 WeakPolarHBondContact OE1-CE 3.39Å; E531-K534 IonicContact OE1-NZ 3.83Å; E531-K534 PolarHBondContact OE1-NZ 2.85Å; E531-I535 WeakPolarHBondContact O-CD1 3.49Å; E531-I535 WeakPolarHBondContact O-CG1 3.24Å; E531-I535 PolarHBondContact O-N 2.81Å; E531-L555 HydrophobicContact CB-CD2 3.7Å
532	L	42.4	Very low	40.4	Very low	30 Å²	30	64.8 Å²	64.8	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-35.8	173.9	-76.3	163	0	0	0	112.6	S528 L529 S530 M556	S528-L532 WeakPolarHBondContact O-CG 3.49Å; S528-L532 PolarHBondContact O-N 3.47Å; S528-L532 VanDerWaalsContact O-N 3.11Å; L529-L532 HydrophobicContact CD2-CD1 4.25Å; L529-L532 PolarHBondContact O-N 2.72Å; S530-L532 VanDerWaalsContact C-N 3.34Å; S530-L532 PolarHBondContact O-N 3.4Å; L532-M556 HydrophobicContact CD1-CE 3.66Å; L532-M556 HydrophobicContact CD2-CE 4.38Å
533	T	39.5	Very low	39.7	Very low	44 Å²	44	66.1 Å²	66.1	27%	0.27	38%	0.376	S	S	.	.	H	α-helix	trans	-72.5	-23.8	173.6	65.9	0	0	0	0	114.1	L529 S530 E531	L529-T533 PolarHBondContact O-N 3.21Å; L529-T533 VanDerWaalsContact O-N 3.14Å; S530-T533 PolarHBondContact O-N 3.35Å; S530-T533 VanDerWaalsContact O-N 3.07Å; S530-T533 PolarHBondContact O-OG1 3.49Å; E531-T533 VanDerWaalsContact C-N 3.26Å; E531-T533 PolarHBondContact O-N 3.19Å
534	K	41.9	Very low	39	Very low	131 Å²	131	64.7 Å²	64.7	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-78.4	-25.6	176.6	-63	171.7	-159.9	169.9	0	113.1	S530 E531 C536	S530-K534 WeakPolarHBondContact O-CG 3.42Å; S530-K534 PolarHBondContact O-N 3.07Å; S530-K534 WeakPolarHBondContact OG-CE 3.24Å; E531-K534 WeakPolarHBondContact O-CB 3.45Å; E531-K534 PolarHBondContact O-N 2.74Å; E531-K534 WeakPolarHBondContact OE1-CD 3.15Å; E531-K534 WeakPolarHBondContact OE1-CE 3.39Å; E531-K534 IonicContact OE1-NZ 3.83Å; E531-K534 PolarHBondContact OE1-NZ 2.85Å; K534-C536 PolarHBondContact O-N 2.98Å
535	I	41	Very low	38.4	Very low	25 Å²	25	71.2 Å²	71.2	13%	0.128	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.2	179.8	-63.8	158.4	0	0	0	112.3	E531 S537 D548 R551 L555	E531-I535 WeakPolarHBondContact O-CD1 3.49Å; E531-I535 WeakPolarHBondContact O-CG1 3.24Å; E531-I535 PolarHBondContact O-N 2.81Å; I535-S537 VanDerWaalsContact C-N 3.34Å; I535-S537 PolarHBondContact O-N 3.12Å; I535-D548 HydrophobicContact CG2-CB 4.27Å; I535-R551 HydrophobicContact CG2-CB 4.43Å; I535-R551 HydrophobicContact CG2-CG 4.35Å; I535-L555 HydrophobicContact CD1-CD1 3.65Å; I535-L555 HydrophobicContact CD1-CD2 3.49Å; I535-L555 VanDerWaalsContact CD1-CD2 3.49Å; I535-L555 HydrophobicContact CD1-CG 4.15Å
536	C	34.4	Very low	37.8	Very low	45 Å²	45	73.3 Å²	73.3	30%	0.304	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	78.9	178.4	-68.5	0	0	0	0	112.5	K534	K534-C536 PolarHBondContact O-N 2.98Å
537	S	35.9	Very low	37.5	Very low	75 Å²	75	74.2 Å²	74.2	52%	0.524	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.8	177.8	-64.8	0	0	0	0	112.6	I535 Y546	I535-S537 VanDerWaalsContact C-N 3.34Å; I535-S537 PolarHBondContact O-N 3.12Å; S537-Y546 PolarHBondContact N-O 2.87Å; S537-Y546 PolarHBondContact O-N 3.46Å
538	I	31.8	Very low	37.3	Very low	140 Å²	140	73.1 Å²	73.1	72%	0.718	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	119.2	169	-60.6	172	0	0	0	107.4
539	D	30.9	Very low	37	Very low	52 Å²	52	76.5 Å²	76.5	28%	0.278	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-77.8	124.4	164.4	171.1	31.7	0	0	0	109.1	D541 S542 G543 N544 Y546	D539-D541 VanDerWaalsContact C-N 3.27Å; D539-D541 PolarHBondContact O-N 3.3Å; D539-D541 PolarHBondContact OD1-N 3.07Å; D539-S542 WeakPolarHBondContact OD2-CB 3.42Å; D539-S542 PolarHBondContact OD2-N 3.14Å; D539-S542 PolarHBondContact OD2-OG 3.29Å; D539-G543 PolarHBondContact O-N 3.11Å; D539-N544 PolarHBondContact N-O 3.26Å; D539-Y546 HydrophobicContact CB-CD2 3.61Å; D539-Y546 HydrophobicContact CB-CE2 3.51Å
540	S	31.3	Very low	36.9	Very low	104 Å²	104	80.6 Å²	80.6	73%	0.727	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.7	-172.6	49.2	0	0	0	0	113.2
541	D	34.8	Very low	36.9	Very low	146 Å²	146	86 Å²	86	78%	0.781	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-18.1	-162.2	-66.8	18.9	0	0	0	112.6	D539	D539-D541 VanDerWaalsContact C-N 3.27Å; D539-D541 PolarHBondContact O-N 3.3Å; D539-D541 PolarHBondContact OD1-N 3.07Å
542	S	35.2	Very low	36.5	Very low	45 Å²	45	82.6 Å²	82.6	32%	0.315	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-11.5	-179.3	79.2	0	0	0	0	115.4	D539 N544	D539-S542 WeakPolarHBondContact OD2-CB 3.42Å; D539-S542 PolarHBondContact OD2-N 3.14Å; D539-S542 PolarHBondContact OD2-OG 3.29Å; S542-N544 WeakPolarHBondContact CB-ND2 3.19Å; S542-N544 PolarHBondContact O-N 3.37Å; S542-N544 VanDerWaalsContact O-N 3.11Å; S542-N544 PolarHBondContact O-ND2 2.62Å; S542-N544 PolarHBondContact OG-N 3.18Å; S542-N544 PolarHBondContact OG-ND2 3.14Å
543	G	29.2	Very low	36.3	Very low	65 Å²	65	87.5 Å²	87.5	67%	0.67	47%	0.466	S	S	*	.			trans	69.4	-1.8	-175.7	0	0	0	0	0	115	D539	D539-G543 PolarHBondContact O-N 3.11Å
544	N	29.1	Very low	36.5	Very low	81 Å²	81	91.3 Å²	91.3	43%	0.433	48%	0.481	S	S	.	.			trans	-75.1	141.3	174.5	-63.9	-72.7	0	0	0	110.3	D539 S542 Y546	D539-N544 PolarHBondContact N-O 3.26Å; S542-N544 WeakPolarHBondContact CB-ND2 3.19Å; S542-N544 PolarHBondContact O-N 3.37Å; S542-N544 VanDerWaalsContact O-N 3.11Å; S542-N544 PolarHBondContact O-ND2 2.62Å; S542-N544 PolarHBondContact OG-N 3.18Å; S542-N544 PolarHBondContact OG-ND2 3.14Å; N544-Y546 HydrophobicContact CB-CD2 4.41Å; N544-Y546 HydrophobicContact CB-CE2 3.83Å
545	R	33.1	Very low	36.6	Very low	152 Å²	152	87.2 Å²	87.2	57%	0.574	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	126	167.8	-57.6	-170	-145	171.8	11.8	108.6
546	Y	33	Very low	36.3	Very low	119 Å²	119	90.3 Å²	90.3	47%	0.467	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.9	173.4	-71.4	-96.7	0	0	0	108.3	S537 D539 N544	S537-Y546 PolarHBondContact N-O 2.87Å; S537-Y546 PolarHBondContact O-N 3.46Å; D539-Y546 HydrophobicContact CB-CD2 3.61Å; D539-Y546 HydrophobicContact CB-CE2 3.51Å; N544-Y546 HydrophobicContact CB-CD2 4.41Å; N544-Y546 HydrophobicContact CB-CE2 3.83Å
547	V	37.3	Very low	36.5	Very low	57 Å²	57	90.1 Å²	90.1	35%	0.345	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.5	158.5	-179.2	0	0	0	0	105.7	T549	V547-T549 VanDerWaalsContact C-N 3.35Å; V547-T549 PolarHBondContact O-N 3.37Å
548	D	41.4	Very low	36.6	Very low	67 Å²	67	95 Å²	95	36%	0.358	49%	0.488	S	S	.	.			trans	-65.8	97	168.3	-179.7	-16.6	0	0	0	107.7	I535 D550 R551 G552	I535-D548 HydrophobicContact CG2-CB 4.27Å; D548-D550 VanDerWaalsContact C-N 3.32Å; D548-D550 PolarHBondContact O-N 2.95Å; D548-D550 PolarHBondContact OD1-N 3.29Å; D548-R551 HydrophobicContact CB-CB 3.82Å; D548-R551 PolarHBondContact O-N 3.22Å; D548-R551 WeakPolarHBondContact OD1-CB 3.2Å; D548-R551 PolarHBondContact OD1-N 3.28Å; D548-R551 VanDerWaalsContact OD2-CB 3.24Å; D548-R551 WeakPolarHBondContact OD2-CB 3.26Å; D548-R551 WeakPolarHBondContact OD2-CD 3.21Å; D548-G552 PolarHBondContact O-N 2.78Å
549	T	39	Very low	36.8	Very low	102 Å²	102	91.6 Å²	91.6	63%	0.626	47%	0.471	S	S	*	.	H	α-helix	trans	-66.6	-35.5	-173.8	47.5	0	0	0	0	111.8	V547 R551 G552 Y553	V547-T549 VanDerWaalsContact C-N 3.35Å; V547-T549 PolarHBondContact O-N 3.37Å; T549-R551 VanDerWaalsContact C-N 3.34Å; T549-G552 PolarHBondContact O-N 3.41Å; T549-Y553 WeakPolarHBondContact O-CB 3.32Å; T549-Y553 PolarHBondContact O-N 2.89Å
550	D	41.8	Very low	36.7	Very low	110 Å²	110	93.6 Å²	93.6	59%	0.588	48%	0.481	S	S	*	.	H	α-helix	trans	-65	-39.8	174.3	-90.5	8.7	0	0	0	110.7	D548 Y553 Q554	D548-D550 VanDerWaalsContact C-N 3.32Å; D548-D550 PolarHBondContact O-N 2.95Å; D548-D550 PolarHBondContact OD1-N 3.29Å; D550-Y553 CarbonylContact O-C 3.59Å; D550-Y553 PolarHBondContact O-N 2.84Å; D550-Q554 WeakPolarHBondContact O-CB 3.38Å; D550-Q554 WeakPolarHBondContact O-CG 3.05Å; D550-Q554 PolarHBondContact O-N 3.12Å
551	R	43.6	Very low	36.5	Very low	137 Å²	137	94 Å²	94	52%	0.517	47%	0.473	S	S	.	.	H	α-helix	trans	-74.9	-34	178	-162.9	173.5	-163.3	127.8	-1.2	113.1	I535 D548 T549 Q554 L555	I535-R551 HydrophobicContact CG2-CB 4.43Å; I535-R551 HydrophobicContact CG2-CG 4.35Å; D548-R551 HydrophobicContact CB-CB 3.82Å; D548-R551 PolarHBondContact O-N 3.22Å; D548-R551 WeakPolarHBondContact OD1-CB 3.2Å; D548-R551 PolarHBondContact OD1-N 3.28Å; D548-R551 VanDerWaalsContact OD2-CB 3.24Å; D548-R551 WeakPolarHBondContact OD2-CB 3.26Å; D548-R551 WeakPolarHBondContact OD2-CD 3.21Å; T549-R551 VanDerWaalsContact C-N 3.34Å; R551-Q554 PolarHBondContact O-N 2.95Å; R551-L555 HydrophobicContact CG-CD1 4.19Å; R551-L555 VanDerWaalsContact O-CD1 3.24Å; R551-L555 WeakPolarHBondContact O-CD1 3.21Å; R551-L555 PolarHBondContact O-N 3.3Å
552	G	39.6	Very low	36.2	Very low	7 Å²	7	92.9 Å²	92.9	7%	0.072	47%	0.467	C	S	.	.	H	α-helix	trans	-62	-44.6	167.8	0	0	0	0	0	111.6	D548 T549 L555 M556	D548-G552 PolarHBondContact O-N 2.78Å; T549-G552 PolarHBondContact O-N 3.41Å; G552-L555 PolarHBondContact O-N 2.85Å; G552-M556 WeakPolarHBondContact O-CG 3.46Å; G552-M556 PolarHBondContact O-N 2.77Å
553	Y	39.2	Very low	35.8	Very low	134 Å²	134	94.9 Å²	94.9	53%	0.525	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-38.1	174.3	-161.9	-112.3	0	0	0	111.7	T549 D550 N557 W582	T549-Y553 WeakPolarHBondContact O-CB 3.32Å; T549-Y553 PolarHBondContact O-N 2.89Å; D550-Y553 CarbonylContact O-C 3.59Å; D550-Y553 PolarHBondContact O-N 2.84Å; Y553-N557 WeakPolarHBondContact CD1-ND2 3.31Å; Y553-N557 VanDerWaalsContact CE1-ND2 3.26Å; Y553-N557 WeakPolarHBondContact CE1-ND2 3.47Å; Y553-N557 VanDerWaalsContact O-CB 3.26Å; Y553-N557 WeakPolarHBondContact O-CB 3.35Å; Y553-N557 PolarHBondContact O-N 3.25Å; Y553-N557 PolarHBondContact O-ND2 2.82Å; Y553-W582 HydrophobicContact CE2-CH2 4.36Å
554	Q	44	Very low	35.7	Very low	124 Å²	124	98.7 Å²	98.7	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-66.3	-41.4	172.7	-75.6	168.6	32.2	0	0	112.3	D550 R551 K558	D550-Q554 WeakPolarHBondContact O-CB 3.38Å; D550-Q554 WeakPolarHBondContact O-CG 3.05Å; D550-Q554 PolarHBondContact O-N 3.12Å; R551-Q554 PolarHBondContact O-N 2.95Å; Q554-K558 WeakPolarHBondContact O-CB 3.48Å; Q554-K558 PolarHBondContact O-N 3.26Å
555	L	43.1	Very low	35.7	Very low	45 Å²	45	99.8 Å²	99.8	24%	0.236	48%	0.479	C	S	.	.	H	α-helix	trans	-66.6	-43.8	176.2	-97.7	82.2	0	0	0	112.2	E531 I535 R551 G552 K558 N559	E531-L555 HydrophobicContact CB-CD2 3.7Å; I535-L555 HydrophobicContact CD1-CD1 3.65Å; I535-L555 HydrophobicContact CD1-CD2 3.49Å; I535-L555 VanDerWaalsContact CD1-CD2 3.49Å; I535-L555 HydrophobicContact CD1-CG 4.15Å; R551-L555 HydrophobicContact CG-CD1 4.19Å; R551-L555 VanDerWaalsContact O-CD1 3.24Å; R551-L555 WeakPolarHBondContact O-CD1 3.21Å; R551-L555 PolarHBondContact O-N 3.3Å; G552-L555 PolarHBondContact O-N 2.85Å; L555-K558 PolarHBondContact O-N 3Å; L555-N559 PolarHBondContact O-N 2.78Å
556	M	35.2	Very low	35.4	Very low	89 Å²	89	99.7 Å²	99.7	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-60.4	-52.4	174.5	-70.5	-177.7	-177.8	0	0	110.5	L532 G552 K558 N559 L560	L532-M556 HydrophobicContact CD1-CE 3.66Å; L532-M556 HydrophobicContact CD2-CE 4.38Å; G552-M556 WeakPolarHBondContact O-CG 3.46Å; G552-M556 PolarHBondContact O-N 2.77Å; M556-K558 VanDerWaalsContact C-N 3.33Å; M556-K558 PolarHBondContact O-N 3.49Å; M556-N559 CarbonylContact O-C 3.32Å; M556-N559 PolarHBondContact O-N 3.34Å; M556-L560 HydrophobicContact CB-CD1 4.34Å; M556-L560 WeakPolarHBondContact O-CB 3.46Å; M556-L560 WeakPolarHBondContact O-CD1 3.42Å; M556-L560 PolarHBondContact O-N 3.42Å
557	N	37.9	Very low	35.1	Very low	42 Å²	42	97.2 Å²	97.2	23%	0.225	48%	0.483	C	S	.	.	H	α-helix	trans	-61.8	-37.6	178.6	-76.1	-54.9	0	0	0	112.9	Y553 N559 L560 M561	Y553-N557 WeakPolarHBondContact CD1-ND2 3.31Å; Y553-N557 VanDerWaalsContact CE1-ND2 3.26Å; Y553-N557 WeakPolarHBondContact CE1-ND2 3.47Å; Y553-N557 VanDerWaalsContact O-CB 3.26Å; Y553-N557 WeakPolarHBondContact O-CB 3.35Å; Y553-N557 PolarHBondContact O-N 3.25Å; Y553-N557 PolarHBondContact O-ND2 2.82Å; N557-N559 PolarHBondContact O-N 3.41Å; N557-L560 PolarHBondContact O-N 3.46Å; N557-L560 VanDerWaalsContact O-N 3.17Å; N557-M561 HydrophobicContact CB-CE 4.05Å; N557-M561 HydrophobicContact CB-CG 4.03Å; N557-M561 VanDerWaalsContact O-CB 3.22Å; N557-M561 WeakPolarHBondContact O-CB 3.39Å; N557-M561 WeakPolarHBondContact O-CG 3.31Å; N557-M561 PolarHBondContact O-N 3.45Å; N557-M561 WeakPolarHBondContact OD1-CE 3.15Å
558	K	39.3	Very low	34.5	Very low	178 Å²	178	103.7 Å²	103.7	77%	0.774	50%	0.501	S	S	*	.	H	α-helix	trans	-62.8	-23.2	176.7	-171	173.7	-177.5	-177.3	0	113.1	Q554 L555 M556	Q554-K558 WeakPolarHBondContact O-CB 3.48Å; Q554-K558 PolarHBondContact O-N 3.26Å; L555-K558 PolarHBondContact O-N 3Å; M556-K558 VanDerWaalsContact C-N 3.33Å; M556-K558 PolarHBondContact O-N 3.49Å
559	N	35.7	Very low	33.8	Very low	67 Å²	67	105.2 Å²	105.2	36%	0.358	52%	0.517	S	S	.	.	H	α-helix	trans	-103.5	-9.8	175.9	-66.7	3.4	0	0	0	113.8	S528 L555 M556 N557	S528-N559 PolarHBondContact OG-ND2 3.22Å; L555-N559 PolarHBondContact O-N 2.78Å; M556-N559 CarbonylContact O-C 3.32Å; M556-N559 PolarHBondContact O-N 3.34Å; N557-N559 PolarHBondContact O-N 3.41Å
560	L	28.6	Very low	33.2	Very low	95 Å²	95	107.2 Å²	107.2	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-113	-20	179.8	-85.6	107.2	0	0	0	115.7	M556 N557 D562 I563	M556-L560 HydrophobicContact CB-CD1 4.34Å; M556-L560 WeakPolarHBondContact O-CB 3.46Å; M556-L560 WeakPolarHBondContact O-CD1 3.42Å; M556-L560 PolarHBondContact O-N 3.42Å; N557-L560 PolarHBondContact O-N 3.46Å; N557-L560 VanDerWaalsContact O-N 3.17Å; L560-D562 PolarHBondContact O-N 3.11Å; L560-D562 VanDerWaalsContact O-N 3.1Å; L560-I563 HydrophobicContact CD2-CD1 4.47Å; L560-I563 WeakPolarHBondContact O-CB 3.33Å; L560-I563 WeakPolarHBondContact O-CG1 3.42Å; L560-I563 PolarHBondContact O-N 3.43Å; L560-I563 VanDerWaalsContact O-N 3.09Å
561	M	26.2	Very low	32.2	Very low	111 Å²	111	108 Å²	108	55%	0.547	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-61.4	-25.2	-168.3	-87	-76.6	173.4	0	0	115.2	N557 I563 H564	N557-M561 HydrophobicContact CB-CE 4.05Å; N557-M561 HydrophobicContact CB-CG 4.03Å; N557-M561 VanDerWaalsContact O-CB 3.22Å; N557-M561 WeakPolarHBondContact O-CB 3.39Å; N557-M561 WeakPolarHBondContact O-CG 3.31Å; N557-M561 PolarHBondContact O-N 3.45Å; N557-M561 WeakPolarHBondContact OD1-CE 3.15Å; M561-I563 PolarHBondContact O-N 3.36Å; M561-I563 VanDerWaalsContact O-N 3.1Å; M561-H564 PolarHBondContact O-N 3.07Å; M561-H564 VanDerWaalsContact O-N 3.11Å
562	D	28.9	Very low	31.3	Very low	124 Å²	124	106.6 Å²	106.6	66%	0.663	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-65.2	-13.3	178.1	-131.9	-27.9	0	0	0	113.5	L560 K566	L560-D562 PolarHBondContact O-N 3.11Å; L560-D562 VanDerWaalsContact O-N 3.1Å; D562-K566 IonicContact OD1-NZ 2.66Å; D562-K566 PolarHBondContact OD1-NZ 2.98Å
563	I	27.4	Very low	30.6	Very low	86 Å²	86	115.7 Å²	115.7	44%	0.441	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-84.4	-25.8	177.8	-58.1	169.6	0	0	0	111.4	P484 L560 M561	P484-I563 HydrophobicContact CB-CD1 4.25Å; P484-I563 HydrophobicContact CG-CD1 4.07Å; L560-I563 HydrophobicContact CD2-CD1 4.47Å; L560-I563 WeakPolarHBondContact O-CB 3.33Å; L560-I563 WeakPolarHBondContact O-CG1 3.42Å; L560-I563 PolarHBondContact O-N 3.43Å; L560-I563 VanDerWaalsContact O-N 3.09Å; M561-I563 PolarHBondContact O-N 3.36Å; M561-I563 VanDerWaalsContact O-N 3.1Å
564	H	26.9	Very low	30	Very low	145 Å²	145	117.1 Å²	117.1	67%	0.671	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-21.2	-164.5	-152.1	-60	0	0	0	114.8	M561	M561-H564 PolarHBondContact O-N 3.07Å; M561-H564 VanDerWaalsContact O-N 3.11Å
565	D	28.4	Very low	29	Very low	104 Å²	104	120.6 Å²	120.6	56%	0.556	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-20.5	179.9	-100.7	-43.7	0	0	0	114.3	R568	D565-R568 IonicContact OD1-CZ 3.57Å; D565-R568 IonicContact OD1-NH1 3.83Å; D565-R568 PolarHBondContact OD1-NH1 3.23Å; D565-R568 IonicContact OD1-NH2 2.63Å
566	K	26.9	Very low	28.1	Very low	150 Å²	150	121.5 Å²	121.5	65%	0.652	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-11.2	-176.8	-73.8	167.3	-176.3	142.1	0	114.5	D562	D562-K566 IonicContact OD1-NZ 2.66Å; D562-K566 PolarHBondContact OD1-NZ 2.98Å
567	S	27.1	Very low	27.8	Very low	68 Å²	68	119.2 Å²	119.2	48%	0.476	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	-1	-177.2	54.8	0	0	0	0	115	S569 L570	S567-S569 PolarHBondContact O-N 3.04Å; S567-L570 PolarHBondContact O-N 2.73Å
568	R	24.1	Very low	27.4	Very low	192 Å²	192	123.5 Å²	123.5	73%	0.725	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-7.1	-174	-86.9	-172.8	172.5	121	6.1	116.7	D565	D565-R568 IonicContact OD1-CZ 3.57Å; D565-R568 IonicContact OD1-NH1 3.83Å; D565-R568 PolarHBondContact OD1-NH1 3.23Å; D565-R568 IonicContact OD1-NH2 2.63Å
569	S	27.3	Very low	26.8	Very low	99 Å²	99	119.8 Å²	119.8	69%	0.692	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-11.9	-177.8	54.8	0	0	0	0	115.5	S567 T571	S567-S569 PolarHBondContact O-N 3.04Å; S569-T571 PolarHBondContact O-N 3.42Å
570	L	25.8	Very low	26.4	Very low	145 Å²	145	120 Å²	120	76%	0.759	61%	0.614	S	S	*	*			trans	-96.8	36.7	-173.1	-71.8	170.4	0	0	0	114	S567 S572	S567-L570 PolarHBondContact O-N 2.73Å; L570-S572 PolarHBondContact O-N 2.88Å
571	T	22.2	Very low	26.4	Very low	125 Å²	125	120.8 Å²	120.8	77%	0.767	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	85.8	-177.9	52.4	0	0	0	0	113.2	S569	S569-T571 PolarHBondContact O-N 3.42Å
572	S	24.3	Very low	26.5	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.5	-34.1	155.9	52.2	0	0	0	0	115.2	L570	L570-S572 PolarHBondContact O-N 2.88Å
573	Y	24.5	Very low	26.4	Very low	198 Å²	198	122.3 Å²	122.3	78%	0.776	62%	0.617	S	S	*	*	S	Bend	trans	-120.7	160.2	-178.1	-82.7	-101.1	0	0	0	112.3
574	Y	26.1	Very low	26.4	Very low	164 Å²	164	121.7 Å²	121.7	64%	0.643	62%	0.621	S	S	*	*			trans	57.7	63.3	175.6	-74.7	-84.7	0	0	0	117.4
575	K	23.9	Very low	26.4	Very low	196 Å²	196	122.5 Å²	122.5	85%	0.852	63%	0.63	S	S	*	*			trans	-87.8	-17.6	163.3	-145.9	170.7	-174.8	178.2	0	117.5
576	P	24.5	Very low	26.2	Very low	64 Å²	64	121.8 Å²	121.8	42%	0.416	63%	0.626	S	S	.	*	S	Bend	trans	-85.5	-33.4	-175.8	-16.8	32.1	0	0	0	117.7	I578 N579 S580	P576-I578 PolarHBondContact O-N 3.08Å; P576-N579 PolarHBondContact O-N 2.66Å; P576-S580 PolarHBondContact O-N 3.42Å; P576-S580 PolarHBondContact O-OG 3.08Å
577	S	29	Very low	26.1	Very low	42 Å²	42	121.3 Å²	121.3	29%	0.294	64%	0.635	S	S	.	*	H	α-helix	trans	-71	-39.1	-153	42.7	0	0	0	0	115.9	S580	S577-S580 WeakPolarHBondContact CA-OG 3.39Å; S577-S580 PolarHBondContact O-N 2.91Å; S577-S580 PolarHBondContact O-OG 3.38Å
578	I	28.5	Very low	25.9	Very low	132 Å²	132	126.9 Å²	126.9	68%	0.677	65%	0.653	S	S	*	*	H	α-helix	trans	-70.7	-40	177.4	-66.7	175	0	0	0	110.4	P576 S580 L581	P576-I578 PolarHBondContact O-N 3.08Å; I578-S580 VanDerWaalsContact C-N 3.33Å; I578-S580 PolarHBondContact O-N 2.8Å; I578-L581 PolarHBondContact O-N 3.17Å
579	N	26.9	Very low	25.9	Very low	100 Å²	100	127.3 Å²	127.3	54%	0.535	66%	0.656	S	S	.	*	H	α-helix	trans	-66	-32.2	176.7	-75.8	2.9	0	0	0	112.5	P576 L581 W582 N583	P576-N579 PolarHBondContact O-N 2.66Å; N579-L581 VanDerWaalsContact C-N 3.31Å; N579-L581 PolarHBondContact O-N 3.46Å; N579-W582 PolarHBondContact O-N 2.99Å; N579-N583 WeakPolarHBondContact O-CB 3.48Å; N579-N583 PolarHBondContact O-N 2.97Å; N579-N583 PolarHBondContact O-ND2 3.03Å
580	S	28.3	Very low	25.7	Very low	70 Å²	70	129.5 Å²	129.5	49%	0.49	66%	0.66	S	S	.	*	H	α-helix	trans	-65.4	-31.6	175.6	45.6	0	0	0	0	113.7	P576 S577 I578 W582 S584	P576-S580 PolarHBondContact O-N 3.42Å; P576-S580 PolarHBondContact O-OG 3.08Å; S577-S580 WeakPolarHBondContact CA-OG 3.39Å; S577-S580 PolarHBondContact O-N 2.91Å; S577-S580 PolarHBondContact O-OG 3.38Å; I578-S580 VanDerWaalsContact C-N 3.33Å; I578-S580 PolarHBondContact O-N 2.8Å; S580-W582 VanDerWaalsContact C-N 3.3Å; S580-W582 PolarHBondContact O-N 2.66Å; S580-S584 PolarHBondContact O-N 3.5Å; S580-S584 PolarHBondContact O-OG 3.41Å
581	L	28.6	Very low	25.6	Very low	112 Å²	112	128.3 Å²	128.3	59%	0.586	66%	0.664	S	S	*	*	H	α-helix	trans	-73.5	-18.2	178.3	-89.2	158.1	0	0	0	113.9	I578 N579	I578-L581 PolarHBondContact O-N 3.17Å; N579-L581 VanDerWaalsContact C-N 3.31Å; N579-L581 PolarHBondContact O-N 3.46Å
582	W	27.9	Very low	25.6	Very low	156 Å²	156	126.1 Å²	126.1	59%	0.591	67%	0.666	S	S	*	*	H	α-helix	trans	-105.2	-34.5	176	-84.6	49.5	0	0	0	112.6	Y553 N579 S580 S584 L586	Y553-W582 HydrophobicContact CE2-CH2 4.36Å; N579-W582 PolarHBondContact O-N 2.99Å; S580-W582 VanDerWaalsContact C-N 3.3Å; S580-W582 PolarHBondContact O-N 2.66Å; W582-S584 PolarHBondContact O-N 3.12Å; W582-L586 HydrophobicContact CB-CD1 4.29Å; W582-L586 HydrophobicContact CD2-CD1 4.22Å; W582-L586 HydrophobicContact CE3-CD1 3.56Å; W582-L586 HydrophobicContact CZ3-CD1 4.23Å; W582-L586 WeakPolarHBondContact O-CB 3.25Å; W582-L586 PolarHBondContact O-N 2.76Å
583	N	26.7	Very low	25.5	Very low	111 Å²	111	132.1 Å²	132.1	59%	0.594	67%	0.672	S	S	*	*	H	α-helix	trans	-71.7	-16.1	178.7	-69.1	-11.2	0	0	0	113.3	N579 N585	N579-N583 WeakPolarHBondContact O-CB 3.48Å; N579-N583 PolarHBondContact O-N 2.97Å; N579-N583 PolarHBondContact O-ND2 3.03Å; N583-N585 VanDerWaalsContact C-N 3.27Å; N583-N585 PolarHBondContact O-N 3.17Å
584	S	27.1	Very low	25.5	Very low	74 Å²	74	129.4 Å²	129.4	52%	0.517	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.9	80.4	166.2	56.6	0	0	0	0	110.9	S580 W582	S580-S584 PolarHBondContact O-N 3.5Å; S580-S584 PolarHBondContact O-OG 3.41Å; W582-S584 PolarHBondContact O-N 3.12Å
585	N	26.4	Very low	25.6	Very low	161 Å²	161	129.6 Å²	129.6	86%	0.861	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.2	2.7	175.1	-57.8	-61.5	0	0	0	118.4	N583	N583-N585 VanDerWaalsContact C-N 3.27Å; N583-N585 PolarHBondContact O-N 3.17Å
586	L	25.2	Very low	25.6	Very low	90 Å²	90	129.3 Å²	129.3	47%	0.471	68%	0.682	S	S	.	*			trans	-94.8	113.3	163.6	-77.7	166.3	0	0	0	111.5	W582	W582-L586 HydrophobicContact CB-CD1 4.29Å; W582-L586 HydrophobicContact CD2-CD1 4.22Å; W582-L586 HydrophobicContact CE3-CD1 3.56Å; W582-L586 HydrophobicContact CZ3-CD1 4.23Å; W582-L586 WeakPolarHBondContact O-CB 3.25Å; W582-L586 PolarHBondContact O-N 2.76Å
587	V	24.2	Very low	25.8	Very low	140 Å²	140	130.9 Å²	130.9	85%	0.848	69%	0.694	S	S	*	*			trans	-101.2	101.1	170.5	178.8	0	0	0	0	108.8	Y589	V587-Y589 PolarHBondContact O-N 3.32Å
588	E	23.6	Very low	25.7	Very low	185 Å²	185	133.2 Å²	133.2	86%	0.864	71%	0.711	S	S	*	*			trans	-80.6	105.8	171.5	-72.1	-156.8	129.4	0	0	111.6
589	Y	23.2	Very low	25.7	Very low	200 Å²	200	135.4 Å²	135.4	78%	0.784	72%	0.715	S	S	*	*			trans	31.5	127	142.8	-99.3	-109.7	0	0	0	119.7	V587	V587-Y589 PolarHBondContact O-N 3.32Å
590	N	22.5	Very low	25.8	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	72%	0.722	S	S	*	*				-164.8	151.2	93.7	-106.3	-65.4	0	0	0	115.3
591	S	23.2	Very low	25.7	Very low	119 Å²	119	139.3 Å²	139.3	83%	0.832	72%	0.722	S	S	*	*			trans	65.7	147.8	177.2	79.8	0	0	0	0	117.3
592	G	22.7	Very low	25.7	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	72%	0.72	S	S	*	*			trans	108.7	97.9	176.1	0	0	0	0	0	114.5
593	R	23	Very low	25.8	Very low	236 Å²	236	134.6 Å²	134.6	89%	0.891	72%	0.719	S	S	*	*			trans	-64.8	148.8	-178.1	-69.2	172.1	172.6	151.6	-4.3	113.7
594	N	25.1	Very low	26.2	Very low	140 Å²	140	134.5 Å²	134.5	75%	0.749	72%	0.717	S	S	*	*			trans	68.3	94.3	153.7	-55.5	-9.3	0	0	0	119.2
595	N	26.5	Very low	26.6	Very low	168 Å²	168	133.8 Å²	133.8	90%	0.898	71%	0.712	S	S	*	*				-171.5	167	102.5	-97.1	-32.1	0	0	0	113
596	K	24.9	Very low	27.1	Very low	190 Å²	190	130.7 Å²	130.7	83%	0.826	70%	0.695	S	S	*	*			trans	-99	154.4	-161.9	-64.6	-179.7	174.9	179.4	0	115.3
597	S	27.4	Very low	27.7	Very low	97 Å²	97	132.6 Å²	132.6	68%	0.678	70%	0.699	S	S	*	*			trans	51	114.3	141.3	60	0	0	0	0	120.6
598	S	28.4	Very low	28.4	Very low	91 Å²	91	127.1 Å²	127.1	64%	0.636	67%	0.665	S	S	*	*			trans	-173.1	-41.7	144.6	38.8	0	0	0	0	114.2
599	K	27.6	Very low	29.1	Very low	178 Å²	178	120.1 Å²	120.1	77%	0.774	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-18.8	-157.2	-67.4	-170.8	173.5	-174.4	0	118.2
600	N	29.5	Very low	29.9	Very low	126 Å²	126	114.2 Å²	114.2	67%	0.674	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-5.8	-168.6	-64.1	22.8	0	0	0	115.2
601	Y	26.5	Very low	30.7	Very low	126 Å²	126	108.4 Å²	108.4	49%	0.494	59%	0.586	S	S	.	*	H	α-helix	trans	-83.8	-22.8	-171.9	-67.5	-78.9	0	0	0	114.7
602	V	27.5	Very low	31.6	Very low	88 Å²	88	105.2 Å²	105.2	53%	0.533	56%	0.559	S	S	.	*	H	α-helix	trans	-73.5	-46.7	-171.4	176.7	0	0	0	0	111.5	I604 S605 L606	V602-I604 PolarHBondContact O-N 3.37Å; V602-S605 PolarHBondContact O-N 3.01Å; V602-S605 VanDerWaalsContact O-N 3.11Å; V602-S605 PolarHBondContact O-OG 3.19Å; V602-L606 HydrophobicContact CG1-CD1 3.7Å; V602-L606 PolarHBondContact O-N 2.94Å; V602-L606 VanDerWaalsContact O-N 3.07Å
603	S	31.2	Very low	32.4	Very low	82 Å²	82	106.5 Å²	106.5	57%	0.573	54%	0.544	S	S	*	.	H	α-helix	trans	-58.4	-44.8	-170.6	-35.9	0	0	0	0	113.9	S605 L606 F607	S603-S605 VanDerWaalsContact C-N 3.33Å; S603-S605 PolarHBondContact O-N 3.14Å; S603-L606 PolarHBondContact O-N 2.92Å; S603-F607 PolarHBondContact O-N 2.95Å
604	I	34.7	Very low	33.2	Very low	109 Å²	109	99.1 Å²	99.1	56%	0.559	52%	0.52	S	S	*	.	H	α-helix	trans	-68.8	-35.4	-179.6	-59.5	176.4	0	0	0	110.6	V602 F607 I608	V602-I604 PolarHBondContact O-N 3.37Å; I604-F607 PolarHBondContact O-N 3.26Å; I604-I608 HydrophobicContact CG2-CD1 3.96Å; I604-I608 WeakPolarHBondContact O-CG1 3.46Å; I604-I608 PolarHBondContact O-N 3.39Å; I604-I608 VanDerWaalsContact O-N 3.12Å
605	S	34.5	Very low	33.9	Very low	58 Å²	58	94.6 Å²	94.6	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-70	-38	177.8	71.7	0	0	0	0	113	V602 S603 S609	V602-S605 PolarHBondContact O-N 3.01Å; V602-S605 VanDerWaalsContact O-N 3.11Å; V602-S605 PolarHBondContact O-OG 3.19Å; S603-S605 VanDerWaalsContact C-N 3.33Å; S603-S605 PolarHBondContact O-N 3.14Å; S605-S609 WeakPolarHBondContact O-CB 3.48Å; S605-S609 PolarHBondContact O-N 2.82Å
606	L	37.1	Very low	34.6	Very low	96 Å²	96	90.3 Å²	90.3	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-47	171.5	-98.2	81.9	0	0	0	111.6	V602 S603 I608 S609 N610	V602-L606 HydrophobicContact CG1-CD1 3.7Å; V602-L606 PolarHBondContact O-N 2.94Å; V602-L606 VanDerWaalsContact O-N 3.07Å; S603-L606 PolarHBondContact O-N 2.92Å; L606-I608 VanDerWaalsContact C-N 3.31Å; L606-I608 PolarHBondContact O-N 3.45Å; L606-S609 PolarHBondContact O-N 2.89Å; L606-S609 VanDerWaalsContact O-N 3.09Å; L606-N610 PolarHBondContact O-N 3.34Å; L606-N610 PolarHBondContact O-OD1 3.41Å
607	F	38.4	Very low	35.2	Very low	130 Å²	130	85.5 Å²	85.5	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-55.7	-45.9	179.8	179.4	-98.9	0	0	0	112	S603 I604 Y611	S603-F607 PolarHBondContact O-N 2.95Å; I604-F607 PolarHBondContact O-N 3.26Å; F607-Y611 VanDerWaalsContact O-CB 3.31Å; F607-Y611 WeakPolarHBondContact O-CB 3.46Å; F607-Y611 PolarHBondContact O-N 3.05Å; F607-Y611 VanDerWaalsContact O-N 3.07Å
608	I	38.8	Very low	35.8	Very low	25 Å²	25	83 Å²	83	13%	0.128	43%	0.427	C	S	.	.	H	α-helix	trans	-67.1	-39.1	176.8	-66.2	172.9	0	0	0	111.6	L529 I604 L606 L612	L529-I608 HydrophobicContact CD2-CD1 4.34Å; L529-I608 HydrophobicContact CD2-CG1 4.17Å; I604-I608 HydrophobicContact CG2-CD1 3.96Å; I604-I608 WeakPolarHBondContact O-CG1 3.46Å; I604-I608 PolarHBondContact O-N 3.39Å; I604-I608 VanDerWaalsContact O-N 3.12Å; L606-I608 VanDerWaalsContact C-N 3.31Å; L606-I608 PolarHBondContact O-N 3.45Å; I608-L612 HydrophobicContact CG2-CD1 3.88Å; I608-L612 WeakPolarHBondContact O-CB 3.3Å; I608-L612 VanDerWaalsContact O-CG 3.25Å; I608-L612 WeakPolarHBondContact O-CG 3.44Å; I608-L612 PolarHBondContact O-N 3.28Å; I608-L612 VanDerWaalsContact O-N 3.11Å
609	S	39.1	Very low	36.2	Very low	38 Å²	38	81.4 Å²	81.4	27%	0.266	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-50.2	177.6	-167	0	0	0	0	112	S605 L606 L612 Q613	S605-S609 WeakPolarHBondContact O-CB 3.48Å; S605-S609 PolarHBondContact O-N 2.82Å; L606-S609 PolarHBondContact O-N 2.89Å; L606-S609 VanDerWaalsContact O-N 3.09Å; S609-L612 PolarHBondContact O-N 3.21Å; S609-Q613 WeakPolarHBondContact O-CG 3.32Å; S609-Q613 PolarHBondContact O-N 2.86Å; S609-Q613 PolarHBondContact OG-OE1 3.49Å
610	N	39	Very low	36.6	Very low	76 Å²	76	77.7 Å²	77.7	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-62.9	-47.2	-178.8	-67.7	19	0	0	0	110.8	L606 L612 Q613 E614	L606-N610 PolarHBondContact O-N 3.34Å; L606-N610 PolarHBondContact O-OD1 3.41Å; N610-L612 VanDerWaalsContact C-N 3.28Å; N610-L612 PolarHBondContact O-N 2.65Å; N610-Q613 PolarHBondContact O-N 2.94Å; N610-Q613 VanDerWaalsContact O-N 3.12Å; N610-E614 WeakPolarHBondContact O-CB 3.36Å; N610-E614 WeakPolarHBondContact O-CG 3.4Å; N610-E614 PolarHBondContact O-N 3.33Å
611	Y	40.5	Very low	36.8	Very low	25 Å²	25	78.1 Å²	78.1	10%	0.098	39%	0.394	C	S	.	.	H	α-helix	trans	-59.1	-38.3	177.5	-175.1	-96	0	0	0	112.4	H522 L525 L526 L529 F607 Y615	H522-Y611 PolarHBondContact ND1-OH 2.87Å; L525-Y611 HydrophobicContact CD2-CE2 4.29Å; L526-Y611 HydrophobicContact CD2-CE1 3.85Å; L526-Y611 HydrophobicContact CG-CE1 4.32Å; L529-Y611 HydrophobicContact CD1-CD1 4.14Å; L529-Y611 HydrophobicContact CD1-CE1 4.24Å; F607-Y611 VanDerWaalsContact O-CB 3.31Å; F607-Y611 WeakPolarHBondContact O-CB 3.46Å; F607-Y611 PolarHBondContact O-N 3.05Å; F607-Y611 VanDerWaalsContact O-N 3.07Å; Y611-Y615 WeakPolarHBondContact O-CB 3.28Å; Y611-Y615 PolarHBondContact O-N 2.98Å
612	L	41.2	Very low	37.1	Very low	51 Å²	51	74.2 Å²	74.2	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-71.7	-36	175.6	-72.5	171.7	0	0	0	113	L526 I608 S609 N610 Q616	L526-L612 HydrophobicContact CD2-CD2 4.42Å; I608-L612 HydrophobicContact CG2-CD1 3.88Å; I608-L612 WeakPolarHBondContact O-CB 3.3Å; I608-L612 VanDerWaalsContact O-CG 3.25Å; I608-L612 WeakPolarHBondContact O-CG 3.44Å; I608-L612 PolarHBondContact O-N 3.28Å; I608-L612 VanDerWaalsContact O-N 3.11Å; S609-L612 PolarHBondContact O-N 3.21Å; N610-L612 VanDerWaalsContact C-N 3.28Å; N610-L612 PolarHBondContact O-N 2.65Å; L612-Q616 WeakPolarHBondContact O-CB 3.47Å; L612-Q616 WeakPolarHBondContact O-CG 3.45Å; L612-Q616 PolarHBondContact O-N 3.24Å
613	Q	39.8	Very low	37.4	Very low	106 Å²	106	74.2 Å²	74.2	50%	0.495	38%	0.382	S	S	.	.	H	α-helix	trans	-68.5	-45.3	175.1	-72.6	176.7	-90.7	0	0	111.6	S609 N610 Y615 Q616 L617	S609-Q613 WeakPolarHBondContact O-CG 3.32Å; S609-Q613 PolarHBondContact O-N 2.86Å; S609-Q613 PolarHBondContact OG-OE1 3.49Å; N610-Q613 PolarHBondContact O-N 2.94Å; N610-Q613 VanDerWaalsContact O-N 3.12Å; Q613-Y615 VanDerWaalsContact C-N 3.33Å; Q613-Y615 PolarHBondContact O-N 2.84Å; Q613-Q616 PolarHBondContact O-N 2.9Å; Q613-L617 WeakPolarHBondContact O-CG 3.36Å; Q613-L617 PolarHBondContact O-N 3.28Å
614	E	39.2	Very low	37.4	Very low	82 Å²	82	74.8 Å²	74.8	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-36.8	175.6	-70.6	175.7	-153.3	0	0	112	V455 N610 L617 F618	V455-E614 HydrophobicContact CG2-CB 4.18Å; N610-E614 WeakPolarHBondContact O-CB 3.36Å; N610-E614 WeakPolarHBondContact O-CG 3.4Å; N610-E614 PolarHBondContact O-N 3.33Å; E614-L617 PolarHBondContact O-N 2.95Å; E614-F618 WeakPolarHBondContact O-CB 3.44Å; E614-F618 PolarHBondContact O-N 3.05Å
615	Y	41	Very low	37.2	Very low	45 Å²	45	70.9 Å²	70.9	18%	0.176	36%	0.358	C	S	.	.	H	α-helix	trans	-70.3	-32	174	-169.1	-108.5	0	0	0	113	L526 Y611 Q613 F618 L619	L526-Y615 HydrophobicContact CD1-CD1 4.48Å; L526-Y615 HydrophobicContact CD1-CE1 3.89Å; L526-Y615 HydrophobicContact CD1-CE2 4.31Å; Y611-Y615 WeakPolarHBondContact O-CB 3.28Å; Y611-Y615 PolarHBondContact O-N 2.98Å; Q613-Y615 VanDerWaalsContact C-N 3.33Å; Q613-Y615 PolarHBondContact O-N 2.84Å; Y615-F618 HydrophobicContact CD2-CD1 4.24Å; Y615-F618 HydrophobicContact CE2-CD1 4.17Å; Y615-L619 HydrophobicContact CD1-CD1 4.06Å; Y615-L619 HydrophobicContact CE1-CD1 3.81Å; Y615-L619 HydrophobicContact CE1-CG 4.34Å; Y615-L619 WeakPolarHBondContact O-CG 3.47Å; Y615-L619 PolarHBondContact O-N 2.92Å
616	Q	40	Very low	37	Very low	77 Å²	77	73.1 Å²	73.1	36%	0.36	36%	0.358	S	S	.	.	H	α-helix	trans	-69.1	-42	170.9	-78.2	178.4	-12.3	0	0	111.9	L612 Q613 F618 L619 M620	L612-Q616 WeakPolarHBondContact O-CB 3.47Å; L612-Q616 WeakPolarHBondContact O-CG 3.45Å; L612-Q616 PolarHBondContact O-N 3.24Å; Q613-Q616 PolarHBondContact O-N 2.9Å; Q616-F618 VanDerWaalsContact C-N 3.33Å; Q616-F618 PolarHBondContact O-N 3.44Å; Q616-L619 PolarHBondContact O-N 2.89Å; Q616-M620 WeakPolarHBondContact O-CG 3.28Å; Q616-M620 PolarHBondContact O-N 3.47Å
617	L	37.8	Very low	36.6	Very low	89 Å²	89	72.4 Å²	72.4	47%	0.466	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-42.9	172.3	-72.8	167.8	0	0	0	111.4	Q613 E614 M620 F621 F766	Q613-L617 WeakPolarHBondContact O-CG 3.36Å; Q613-L617 PolarHBondContact O-N 3.28Å; E614-L617 PolarHBondContact O-N 2.95Å; L617-M620 PolarHBondContact O-N 3.1Å; L617-F621 VanDerWaalsContact O-CB 3.32Å; L617-F621 WeakPolarHBondContact O-CB 3.47Å; L617-F621 PolarHBondContact O-N 3.25Å; L617-F766 HydrophobicContact CD2-CE2 4.43Å; L617-F766 HydrophobicContact CD2-CZ 3.86Å
618	F	39	Very low	36.2	Very low	44 Å²	44	71 Å²	71	19%	0.193	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-48	174.2	173.8	-101.8	0	0	0	112.2	V455 V458 E614 Y615 Q616 F621 C622	V455-F618 HydrophobicContact CG1-CB 4.17Å; V455-F618 HydrophobicContact CG1-CD2 4.16Å; V458-F618 HydrophobicContact CB-CE2 4.16Å; V458-F618 HydrophobicContact CB-CZ 4.37Å; V458-F618 HydrophobicContact CG2-CE2 4.45Å; V458-F618 HydrophobicContact CG2-CZ 4.27Å; E614-F618 WeakPolarHBondContact O-CB 3.44Å; E614-F618 PolarHBondContact O-N 3.05Å; Y615-F618 HydrophobicContact CD2-CD1 4.24Å; Y615-F618 HydrophobicContact CE2-CD1 4.17Å; Q616-F618 VanDerWaalsContact C-N 3.33Å; Q616-F618 PolarHBondContact O-N 3.44Å; F618-F621 PolarHBondContact O-N 3.42Å; F618-C622 PolarHBondContact O-N 3.01Å; F618-C622 PolarHBondContact O-SG 3.48Å; F618-C622 VanDerWaalsContact O-SG 3.41Å
619	L	38	Very low	35.7	Very low	59 Å²	59	75.7 Å²	75.7	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-61.9	-44.8	177.1	-71.3	170.2	0	0	0	111.9	Y615 Q616 F621 C622 D623	Y615-L619 HydrophobicContact CD1-CD1 4.06Å; Y615-L619 HydrophobicContact CE1-CD1 3.81Å; Y615-L619 HydrophobicContact CE1-CG 4.34Å; Y615-L619 WeakPolarHBondContact O-CG 3.47Å; Y615-L619 PolarHBondContact O-N 2.92Å; Q616-L619 PolarHBondContact O-N 2.89Å; L619-F621 VanDerWaalsContact C-N 3.29Å; L619-F621 PolarHBondContact O-N 2.89Å; L619-C622 PolarHBondContact O-N 2.74Å; L619-D623 PolarHBondContact O-N 3.28Å
620	M	36.1	Very low	35.1	Very low	100 Å²	100	79.2 Å²	79.2	49%	0.493	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-37.3	174.6	-70.3	173.2	62.8	0	0	112.3	Q616 L617 D623 L624	Q616-M620 WeakPolarHBondContact O-CG 3.28Å; Q616-M620 PolarHBondContact O-N 3.47Å; L617-M620 PolarHBondContact O-N 3.1Å; M620-D623 PolarHBondContact O-N 3.04Å; M620-L624 VanDerWaalsContact O-CB 3.3Å; M620-L624 WeakPolarHBondContact O-CB 3.46Å; M620-L624 VanDerWaalsContact O-CG 3.28Å; M620-L624 WeakPolarHBondContact O-CG 3.34Å; M620-L624 PolarHBondContact O-N 3.18Å
621	F	33.5	Very low	34.6	Very low	134 Å²	134	83.2 Å²	83.2	59%	0.588	41%	0.405	S	S	*	.	H	α-helix	trans	-72.8	-32	178.3	-159.2	-88	0	0	0	112.5	L617 F618 L619 N625	L617-F621 VanDerWaalsContact O-CB 3.32Å; L617-F621 WeakPolarHBondContact O-CB 3.47Å; L617-F621 PolarHBondContact O-N 3.25Å; F618-F621 PolarHBondContact O-N 3.42Å; L619-F621 VanDerWaalsContact C-N 3.29Å; L619-F621 PolarHBondContact O-N 2.89Å; F621-N625 PolarHBondContact O-N 3.44Å; F621-N625 PolarHBondContact O-ND2 3.13Å
622	C	33.5	Very low	33.9	Very low	44 Å²	44	91.1 Å²	91.1	30%	0.297	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-45.8	169.2	-72.4	0	0	0	0	111.7	F618 L619 N625 Y626	F618-C622 PolarHBondContact O-N 3.01Å; F618-C622 PolarHBondContact O-SG 3.48Å; F618-C622 VanDerWaalsContact O-SG 3.41Å; L619-C622 PolarHBondContact O-N 2.74Å; C622-N625 PolarHBondContact O-N 2.99Å; C622-Y626 WeakPolarHBondContact O-CB 3.28Å; C622-Y626 PolarHBondContact O-N 2.98Å
623	D	32.4	Very low	33.1	Very low	89 Å²	89	94.6 Å²	94.6	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-47	179.3	-73.4	-20.7	0	0	0	111.6	L619 M620 N625 Y626	L619-D623 PolarHBondContact O-N 3.28Å; M620-D623 PolarHBondContact O-N 3.04Å; D623-N625 PolarHBondContact O-N 3.19Å; D623-N625 VanDerWaalsContact O-N 3.1Å; D623-Y626 PolarHBondContact O-N 3.34Å; D623-Y626 VanDerWaalsContact O-N 3.13Å
624	L	32	Very low	32.4	Very low	94 Å²	94	98.3 Å²	98.3	49%	0.492	47%	0.468	S	S	.	.	H	α-helix	trans	-62.4	-17.5	179.5	-78.3	167.9	0	0	0	114.6	M620 L762	M620-L624 VanDerWaalsContact O-CB 3.3Å; M620-L624 WeakPolarHBondContact O-CB 3.46Å; M620-L624 VanDerWaalsContact O-CG 3.28Å; M620-L624 WeakPolarHBondContact O-CG 3.34Å; M620-L624 PolarHBondContact O-N 3.18Å; L624-L762 HydrophobicContact CD2-CB 4.43Å
625	N	30.4	Very low	31.6	Very low	27 Å²	27	104.1 Å²	104.1	14%	0.144	49%	0.488	C	S	.	.	H	α-helix	trans	-113	-1.1	178.1	-66	-68.7	0	0	0	113.3	F428 F621 C622 D623 D627 K628 L629	F428-N625 WeakPolarHBondContact CE1-OD1 3.49Å; F621-N625 PolarHBondContact O-N 3.44Å; F621-N625 PolarHBondContact O-ND2 3.13Å; C622-N625 PolarHBondContact O-N 2.99Å; D623-N625 PolarHBondContact O-N 3.19Å; D623-N625 VanDerWaalsContact O-N 3.1Å; N625-D627 PolarHBondContact O-N 2.9Å; N625-K628 PolarHBondContact O-N 3.1Å; N625-L629 WeakPolarHBondContact O-CG 3.31Å; N625-L629 PolarHBondContact O-N 2.94Å
626	Y	29.2	Very low	30.8	Very low	104 Å²	104	110.1 Å²	110.1	41%	0.408	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-38.5	-177	-141.3	-91.1	0	0	0	112.4	C622 D623 L629 L630	C622-Y626 WeakPolarHBondContact O-CB 3.28Å; C622-Y626 PolarHBondContact O-N 2.98Å; D623-Y626 PolarHBondContact O-N 3.34Å; D623-Y626 VanDerWaalsContact O-N 3.13Å; Y626-L629 WeakPolarHBondContact O-CB 3.1Å; Y626-L629 PolarHBondContact O-N 3.34Å; Y626-L630 HydrophobicContact CD1-CD1 3.85Å; Y626-L630 HydrophobicContact CE1-CD1 4.13Å; Y626-L630 PolarHBondContact O-N 2.82Å; Y626-L630 VanDerWaalsContact O-N 3.11Å
627	D	28.9	Very low	30	Very low	81 Å²	81	114.8 Å²	114.8	43%	0.433	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-35.9	174	-72.6	-22.8	0	0	0	112.1	N625 L629 L630 H631	N625-D627 PolarHBondContact O-N 2.9Å; D627-L629 VanDerWaalsContact C-N 3.25Å; D627-L629 PolarHBondContact O-N 2.92Å; D627-L630 PolarHBondContact O-N 3.07Å; D627-H631 PolarHBondContact O-N 3.05Å
628	K	30.8	Very low	29.3	Very low	100 Å²	100	120.2 Å²	120.2	44%	0.435	56%	0.557	S	S	.	*	H	α-helix	trans	-67.6	-24.9	173.2	-66.6	-168.6	-177.6	179.8	0	112.9	L427 F428 N625	L427-K628 PolarHBondContact O-NZ 2.75Å; F428-K628 HydrophobicContact CE1-CD 3.58Å; F428-K628 HydrophobicContact CE2-CD 4.09Å; F428-K628 HydrophobicContact CZ-CB 4.26Å; F428-K628 HydrophobicContact CZ-CD 3.3Å; F428-K628 HydrophobicContact CZ-CG 4.44Å; N625-K628 PolarHBondContact O-N 3.1Å
629	L	27.6	Very low	28.5	Very low	124 Å²	124	122.2 Å²	122.2	65%	0.649	58%	0.577	S	S	*	*	H	α-helix	trans	-81.3	-22.8	173.5	-73.5	163.9	0	0	0	112.8	N625 Y626 D627	N625-L629 WeakPolarHBondContact O-CG 3.31Å; N625-L629 PolarHBondContact O-N 2.94Å; Y626-L629 WeakPolarHBondContact O-CB 3.1Å; Y626-L629 PolarHBondContact O-N 3.34Å; D627-L629 VanDerWaalsContact C-N 3.25Å; D627-L629 PolarHBondContact O-N 2.92Å
630	L	27.3	Very low	27.9	Very low	112 Å²	112	126.4 Å²	126.4	59%	0.586	60%	0.599	S	S	*	*	H	α-helix	trans	-90.8	-30	178.3	-83.5	161.9	0	0	0	113.8	Y626 D627 R632	Y626-L630 HydrophobicContact CD1-CD1 3.85Å; Y626-L630 HydrophobicContact CE1-CD1 4.13Å; Y626-L630 PolarHBondContact O-N 2.82Å; Y626-L630 VanDerWaalsContact O-N 3.11Å; D627-L630 PolarHBondContact O-N 3.07Å; L630-R632 PolarHBondContact O-N 2.83Å; L630-R632 VanDerWaalsContact O-N 3.13Å
631	H	28.6	Very low	27.3	Very low	161 Å²	161	129.2 Å²	129.2	75%	0.745	62%	0.617	S	S	*	*			trans	-79.6	22.2	-179.8	-100.8	-65.9	0	0	0	115.4	D627	D627-H631 PolarHBondContact O-N 3.05Å
632	R	25.1	Very low	26.8	Very low	191 Å²	191	128.3 Å²	128.3	72%	0.721	62%	0.622	S	S	*	*	S	Bend	trans	-97.1	94.4	176.3	-161.8	174.4	-170.8	177.7	3.8	110.1	L630	L630-R632 PolarHBondContact O-N 2.83Å; L630-R632 VanDerWaalsContact O-N 3.13Å
633	D	25.9	Very low	26.3	Very low	123 Å²	123	131.6 Å²	131.6	66%	0.658	64%	0.641	S	S	*	*			trans	-56.4	136.6	-171.2	-73.1	-49.6	0	0	0	114.5	Y635	D633-Y635 HydrophobicContact CB-CD2 3.78Å; D633-Y635 HydrophobicContact CB-CE2 4.18Å; D633-Y635 PolarHBondContact O-N 3.39Å
634	F	24.6	Very low	25.9	Very low	184 Å²	184	134 Å²	134	81%	0.807	65%	0.654	S	S	*	*			trans	-77.2	66.5	174.8	-104	-99.4	0	0	0	111.5	F636	F634-F636 VanDerWaalsContact C-N 3.31Å; F634-F636 PolarHBondContact O-N 3.07Å; F634-F636 VanDerWaalsContact O-N 3.09Å
635	Y	22.6	Very low	25.6	Very low	205 Å²	205	136.7 Å²	136.7	80%	0.804	67%	0.667	S	S	*	*			trans	-83.3	67.6	173	-93.3	-74.7	0	0	0	112.6	D633	D633-Y635 HydrophobicContact CB-CD2 3.78Å; D633-Y635 HydrophobicContact CB-CE2 4.18Å; D633-Y635 PolarHBondContact O-N 3.39Å
636	F	22.9	Very low	25.2	Very low	171 Å²	171	142.4 Å²	142.4	75%	0.75	70%	0.702	S	S	*	*	S	Bend	trans	-155.5	136.7	157.7	-104.2	-73.2	0	0	0	111.2	F634	F634-F636 VanDerWaalsContact C-N 3.31Å; F634-F636 PolarHBondContact O-N 3.07Å; F634-F636 VanDerWaalsContact O-N 3.09Å
637	F	23.9	Very low	25	Very low	174 Å²	174	140.8 Å²	140.8	76%	0.763	72%	0.718	S	S	*	*			trans	72	70.8	178.3	-60.2	-78.5	0	0	0	118.3
638	E	22.1	Very low	24.7	Very low	204 Å²	204	142.7 Å²	142.7	95%	0.953	74%	0.738	S	S	*	*				-87.7	100.6	125.2	-80.7	-162.2	138.7	0	0	109.1
639	S	23.9	Very low	24.5	Very low	86 Å²	86	143 Å²	143	60%	0.601	75%	0.752	S	S	*	*			trans	-171.5	133	147.4	50.4	0	0	0	0	111.5
640	D	23.9	Very low	24.3	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	76%	0.756	S	S	*	*			trans	19.8	109.3	157.1	-53.1	-34.1	0	0	0	119.1
641	N	25.2	Very low	24.3	Very low	160 Å²	160	141.8 Å²	141.8	86%	0.856	76%	0.764	S	S	*	*				-161.5	152.7	98.4	-106.7	-75.5	0	0	0	113.4
642	T	22.6	Very low	24.2	Very low	115 Å²	115	141.3 Å²	141.3	71%	0.706	77%	0.765	S	S	*	*			trans	-98.8	169.6	-175.1	51.4	0	0	0	0	112.7
643	T	23.4	Very low	24.3	Very low	113 Å²	113	142 Å²	142	69%	0.693	77%	0.773	S	S	*	*			trans	98.3	114.2	156.9	72.4	0	0	0	0	121
644	N	23.9	Very low	24.3	Very low	139 Å²	139	145.5 Å²	145.5	74%	0.743	78%	0.782	S	S	*	*				87.9	148.7	126.6	-67.8	-13.7	0	0	0	123
645	I	24.4	Very low	24.3	Very low	151 Å²	151	142.4 Å²	142.4	77%	0.774	78%	0.779	S	S	*	*			trans	68.8	95.9	168.5	-57.6	147.2	0	0	0	113.3
646	V	23.3	Very low	24.4	Very low	146 Å²	146	140.2 Å²	140.2	89%	0.885	78%	0.779	S	S	*	*			cis	64.7	100.2	48.7	-169.2	0	0	0	0	113.2
647	G	23.7	Very low	24.5	Very low	71 Å²	71	138.2 Å²	138.2	73%	0.732	78%	0.781	S	S	*	*			trans	-179.1	120.4	174.6	0	0	0	0	0	114.6
648	S	23.7	Very low	24.6	Very low	121 Å²	121	139 Å²	139	85%	0.846	78%	0.784	S	S	*	*			trans	-27.1	150.8	159.5	48.9	0	0	0	0	116.6
649	S	25.7	Very low	24.8	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	78%	0.783	S	S	*	*			cis	-154.2	145.5	45	-169.3	0	0	0	0	116.8
650	S	24.4	Very low	24.8	Very low	106 Å²	106	140.2 Å²	140.2	74%	0.741	80%	0.796	S	S	*	*			trans	-52.2	126.2	163.7	46.7	0	0	0	0	114.6
651	S	26.4	Very low	24.8	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	79%	0.792	S	S	*	*			trans	-156.2	-47.1	156.3	-86.1	0	0	0	0	112.8	K653	S651-K653 PolarHBondContact O-N 3.24Å
652	I	27.1	Very low	24.7	Very low	151 Å²	151	136.7 Å²	136.7	77%	0.774	79%	0.792	S	S	*	*	S	Bend	trans	-99.4	56.4	-166.3	-41.8	-177	0	0	0	112.1
653	K	26	Very low	24.8	Very low	206 Å²	206	140 Å²	140	90%	0.896	80%	0.797	S	S	*	*	S	Bend	trans	-129.5	16.9	176.6	-117	-177.3	-176.7	-178.5	0	114.5	S651	S651-K653 PolarHBondContact O-N 3.24Å
654	K	26.3	Very low	24.9	Very low	195 Å²	195	140.1 Å²	140.1	85%	0.848	80%	0.797	S	S	*	*	S	Bend	trans	-128.9	-1.1	-173.9	-84.3	-171.7	172.3	-178.6	0	117.3
655	T	24.2	Very low	24.9	Very low	119 Å²	119	140.1 Å²	140.1	73%	0.73	80%	0.797	S	S	*	*	S	Bend	trans	-104.2	-12.4	-172.6	-35	0	0	0	0	114.6	V657	T655-V657 VanDerWaalsContact C-N 3.34Å; T655-V657 PolarHBondContact O-N 2.85Å
656	I	25.8	Very low	24.9	Very low	159 Å²	159	142.7 Å²	142.7	82%	0.815	80%	0.803	S	S	*	*	S	Bend	trans	-95	16.6	-169.7	-53.4	178	0	0	0	112.1
657	V	25.3	Very low	25	Very low	130 Å²	130	141.6 Å²	141.6	79%	0.788	80%	0.799	S	S	*	*	S	Bend	trans	-127	41	-172.2	-161.8	0	0	0	0	111.6	T655	T655-V657 VanDerWaalsContact C-N 3.34Å; T655-V657 PolarHBondContact O-N 2.85Å
658	K	25.7	Very low	25	Very low	189 Å²	189	143.9 Å²	143.9	82%	0.822	80%	0.804	S	S	*	*			trans	-149.9	18.4	-173.6	-132.4	-175.9	-178.6	-173.8	0	119.6
659	N	26.2	Very low	25.1	Very low	174 Å²	174	143.4 Å²	143.4	93%	0.93	80%	0.8	S	S	*	*			trans	-134.6	84.5	166.7	-86.4	-35.6	0	0	0	110.5
660	T	24.5	Very low	25	Very low	143 Å²	143	143.4 Å²	143.4	88%	0.877	80%	0.8	S	S	*	*			trans	-106.1	139.3	171.4	48.1	0	0	0	0	110
661	G	23	Very low	25	Very low	67 Å²	67	147.5 Å²	147.5	69%	0.691	81%	0.805	S	S	*	*			trans	147.7	140.5	163.3	0	0	0	0	0	114.3
662	L	23.9	Very low	24.9	Very low	164 Å²	164	147.8 Å²	147.8	86%	0.859	80%	0.802	S	S	*	*			trans	86.8	82.2	-174.5	-54.7	166	0	0	0	113.1
663	F	24.4	Very low	24.8	Very low	185 Å²	185	151.3 Å²	151.3	81%	0.811	81%	0.807	S	S	*	*				69	136.8	70	-74.7	-71.7	0	0	0	113.5
664	V	25.3	Very low	24.8	Very low	116 Å²	116	150 Å²	150	70%	0.703	80%	0.804	S	S	*	*			cis	-139.9	139.9	16.1	-174.2	0	0	0	0	112.6
665	D	24.5	Very low	24.8	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	80%	0.799	S	S	*	*			trans	31.8	134.5	153.7	-48.3	-15	0	0	0	126
666	F	23.1	Very low	25.1	Very low	205 Å²	205	150.8 Å²	150.8	90%	0.899	80%	0.799	S	S	*	*			trans	-104.2	143.7	149.2	-100.4	-99.1	0	0	0	109.5
667	P	25.9	Very low	25	Very low	124 Å²	124	150 Å²	150	81%	0.805	79%	0.792	S	S	*	*			trans	-92.5	144.7	158.8	34.5	-29.9	0	0	0	111.6
668	S	23	Very low	25.1	Very low	118 Å²	118	151 Å²	151	83%	0.825	79%	0.788	S	S	*	*			trans	-130.2	127.4	-173.9	53.1	0	0	0	0	114.1
669	S	27.2	Very low	25.1	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	79%	0.788	S	S	*	*			trans	-161.7	138.7	157.2	54.2	0	0	0	0	107.6
670	S	22.6	Very low	25.3	Very low	105 Å²	105	150.7 Å²	150.7	73%	0.734	78%	0.784	S	S	*	*			cis	81	89.7	20.1	92.2	0	0	0	0	116
671	K	24.5	Very low	25.4	Very low	193 Å²	193	153 Å²	153	84%	0.839	79%	0.785	S	S	*	*				174.9	133.3	122.5	-94.2	161.3	-176.9	177.3	0	114.1
672	V	24.2	Very low	25.7	Very low	112 Å²	112	155.2 Å²	155.2	68%	0.679	79%	0.787	S	S	*	*			trans	54.8	115.8	135.8	-177.2	0	0	0	0	118.9
673	Y	25.8	Very low	25.9	Very low	225 Å²	225	152.7 Å²	152.7	88%	0.882	78%	0.775	S	S	*	*				-161.6	124.6	104.8	-108.6	-73.7	0	0	0	112.4
674	H	25.6	Very low	26.1	Very low	178 Å²	178	146 Å²	146	82%	0.824	76%	0.758	S	S	*	*			trans	-87.5	148.6	156.5	-77.5	-67.9	0	0	0	108.2
675	Q	26	Very low	26.4	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	76%	0.756	S	S	*	*				169.4	151.4	91.2	-138.6	178	37.7	0	0	111.7
676	K	30	Very low	26.7	Very low	168 Å²	168	145.5 Å²	145.5	73%	0.73	75%	0.747	S	S	*	*			trans	70.2	148.6	163.9	-58.3	179.5	-176.4	-179.4	0	118.6
677	E	25.4	Very low	27.2	Very low	142 Å²	142	140.4 Å²	140.4	66%	0.664	73%	0.729	S	S	*	*			cis	-168.3	151.4	-42.3	-122.8	-178.9	114.1	0	0	109.9
678	Q	25.9	Very low	27.5	Very low	151 Å²	151	138.9 Å²	138.9	71%	0.706	71%	0.713	S	S	*	*			trans	51.3	103	156.4	-56.6	174.9	31.5	0	0	118.8
679	Q	26.7	Very low	27.9	Very low	173 Å²	173	139.1 Å²	139.1	81%	0.808	70%	0.701	S	S	*	*				-174.8	144.9	101.2	-98.8	170.2	55.6	0	0	113.5
680	Q	30.1	Very low	28.3	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	68%	0.678	S	S	*	*			trans	68	138.4	171.1	-58.1	178.4	15.3	0	0	117.3
681	Q	26.3	Very low	28.8	Very low	193 Å²	193	135.9 Å²	135.9	90%	0.902	67%	0.666	S	S	*	*			trans	-114.7	145.9	-176.7	-71.2	179.8	-30.9	0	0	111.5
682	P	28.4	Very low	29.3	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	65%	0.652	S	S	*	*			trans	-115.7	168.9	143.7	0.4	21.2	0	0	0	112.8
683	N	29.8	Very low	30.4	Very low	111 Å²	111	131.7 Å²	131.7	59%	0.594	65%	0.647	S	S	*	*			trans	-51.5	125.7	-169.2	-62.2	-35.5	0	0	0	116.4	N685	N683-N685 VanDerWaalsContact C-N 3.29Å; N683-N685 PolarHBondContact O-N 3.39Å
684	G	28.6	Very low	31.4	Very low	44 Å²	44	126.6 Å²	126.6	45%	0.454	63%	0.627	S	S	.	*	H	α-helix	trans	-67.1	-17.5	177.8	0	0	0	0	0	116.3	I688	G684-I688 WeakPolarHBondContact O-CG1 3.49Å; G684-I688 PolarHBondContact O-N 3.17Å
685	N	31.3	Very low	32.7	Very low	124 Å²	124	122.5 Å²	122.5	66%	0.663	61%	0.61	S	S	*	*	H	α-helix	trans	-70.7	-36	-179.2	-73.2	1	0	0	0	112.8	N683 I687 I688 Q689	N683-N685 VanDerWaalsContact C-N 3.29Å; N683-N685 PolarHBondContact O-N 3.39Å; N685-I687 VanDerWaalsContact C-N 3.32Å; N685-I687 PolarHBondContact O-N 2.89Å; N685-I688 PolarHBondContact O-N 3.5Å; N685-Q689 PolarHBondContact O-N 3.37Å
686	E	31.1	Very low	34	Very low	119 Å²	119	118 Å²	118	56%	0.556	59%	0.592	S	S	*	*	H	α-helix	trans	-67.5	-36.2	179.6	-68	168.2	-175.6	0	0	110.9	Q689 S690	E686-Q689 PolarHBondContact O-N 3.5Å; E686-S690 WeakPolarHBondContact O-CB 3.3Å; E686-S690 PolarHBondContact O-N 3.23Å
687	I	32.5	Very low	34.8	Very low	99 Å²	99	112.1 Å²	112.1	51%	0.508	57%	0.567	S	S	.	*	H	α-helix	trans	-61.9	-49.4	174.1	-56.9	178	0	0	0	109.8	N685 Q689 S690 E691	N685-I687 VanDerWaalsContact C-N 3.32Å; N685-I687 PolarHBondContact O-N 2.89Å; I687-Q689 PolarHBondContact O-N 2.8Å; I687-S690 WeakPolarHBondContact O-CB 3.17Å; I687-S690 PolarHBondContact O-N 3.42Å; I687-S690 VanDerWaalsContact O-N 3.14Å; I687-S690 PolarHBondContact O-OG 3.15Å; I687-E691 PolarHBondContact O-N 3.5Å
688	I	31.5	Very low	36.1	Very low	92 Å²	92	108.8 Å²	108.8	47%	0.472	55%	0.55	S	S	.	*	H	α-helix	trans	-60.3	-45.6	179	-66	167.4	0	0	0	111.1	G684 N685 S690 E691 M692	G684-I688 WeakPolarHBondContact O-CG1 3.49Å; G684-I688 PolarHBondContact O-N 3.17Å; N685-I688 PolarHBondContact O-N 3.5Å; I688-S690 VanDerWaalsContact C-N 3.32Å; I688-S690 PolarHBondContact O-N 2.89Å; I688-E691 PolarHBondContact O-N 3.27Å; I688-E691 VanDerWaalsContact O-N 3.16Å; I688-M692 HydrophobicContact CG2-CG 4.39Å; I688-M692 HydrophobicContact CG2-SD 3.94Å; I688-M692 WeakPolarHBondContact O-CG 3.4Å; I688-M692 PolarHBondContact O-N 3.33Å
689	Q	33	Very low	37.4	Very low	122 Å²	122	106.7 Å²	106.7	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-61.9	-39.4	175.7	-73.5	178.1	-43.8	0	0	112.1	N685 E686 I687 E691 M692 N693	N685-Q689 PolarHBondContact O-N 3.37Å; E686-Q689 PolarHBondContact O-N 3.5Å; I687-Q689 PolarHBondContact O-N 2.8Å; Q689-E691 VanDerWaalsContact C-N 3.31Å; Q689-E691 PolarHBondContact O-N 2.95Å; Q689-M692 PolarHBondContact O-N 3.18Å; Q689-N693 WeakPolarHBondContact O-CB 3.08Å; Q689-N693 PolarHBondContact O-N 2.98Å
690	S	34	Very low	38.4	Very low	44 Å²	44	100.8 Å²	100.8	31%	0.308	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-31.9	175.2	84.3	0	0	0	0	113.1	E686 I687 I688 R694	E686-S690 WeakPolarHBondContact O-CB 3.3Å; E686-S690 PolarHBondContact O-N 3.23Å; I687-S690 WeakPolarHBondContact O-CB 3.17Å; I687-S690 PolarHBondContact O-N 3.42Å; I687-S690 VanDerWaalsContact O-N 3.14Å; I687-S690 PolarHBondContact O-OG 3.15Å; I688-S690 VanDerWaalsContact C-N 3.32Å; I688-S690 PolarHBondContact O-N 2.89Å; S690-R694 WeakPolarHBondContact O-CB 3.26Å; S690-R694 VanDerWaalsContact O-CG 3.23Å; S690-R694 WeakPolarHBondContact O-CG 3.45Å; S690-R694 PolarHBondContact O-N 3.49Å; S690-R694 PolarHBondContact O-NE 2.93Å; S690-R694 PolarHBondContact OG-NH2 3.19Å
691	E	34.2	Very low	39.2	Very low	104 Å²	104	92.7 Å²	92.7	49%	0.486	47%	0.474	S	S	.	.	H	α-helix	trans	-81.1	-33.4	176.7	-71.2	-168	123	0	0	112.3	I687 I688 Q689 N695	I687-E691 PolarHBondContact O-N 3.5Å; I688-E691 PolarHBondContact O-N 3.27Å; I688-E691 VanDerWaalsContact O-N 3.16Å; Q689-E691 VanDerWaalsContact C-N 3.31Å; Q689-E691 PolarHBondContact O-N 2.95Å; E691-N695 WeakPolarHBondContact O-CB 3.44Å; E691-N695 PolarHBondContact O-N 2.74Å; E691-N695 PolarHBondContact O-ND2 3.06Å
692	M	34.2	Very low	40.6	Very low	110 Å²	110	87.1 Å²	87.1	54%	0.542	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-52	172.4	-70.3	179.1	70.7	0	0	110.6	I688 Q689 R694 N695 D696	I688-M692 HydrophobicContact CG2-CG 4.39Å; I688-M692 HydrophobicContact CG2-SD 3.94Å; I688-M692 WeakPolarHBondContact O-CG 3.4Å; I688-M692 PolarHBondContact O-N 3.33Å; Q689-M692 PolarHBondContact O-N 3.18Å; M692-R694 VanDerWaalsContact C-N 3.32Å; M692-R694 PolarHBondContact O-N 3.01Å; M692-N695 WeakPolarHBondContact O-CA 3.4Å; M692-N695 WeakPolarHBondContact O-CB 3.31Å; M692-N695 PolarHBondContact O-N 3.47Å; M692-D696 PolarHBondContact O-N 3.25Å
693	N	48.3	Very low	41.5	Very low	107 Å²	107	87 Å²	87	57%	0.572	44%	0.437	S	S	*	.	H	α-helix	trans	-56.6	-43.5	176.5	-70.8	-4.8	0	0	0	112.3	Q689 N695 D696 E697	Q689-N693 WeakPolarHBondContact O-CB 3.08Å; Q689-N693 PolarHBondContact O-N 2.98Å; N693-N695 VanDerWaalsContact C-N 3.28Å; N693-N695 PolarHBondContact O-N 3.13Å; N693-D696 PolarHBondContact O-N 3.04Å; N693-E697 PolarHBondContact O-N 3.18Å
694	R	46.5	Very low	42.2	Very low	119 Å²	119	85.4 Å²	85.4	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-29.6	174.9	-80.5	-178.9	-75.9	179.3	-3.9	113.4	S690 M692 K698	S690-R694 WeakPolarHBondContact O-CB 3.26Å; S690-R694 VanDerWaalsContact O-CG 3.23Å; S690-R694 WeakPolarHBondContact O-CG 3.45Å; S690-R694 PolarHBondContact O-N 3.49Å; S690-R694 PolarHBondContact O-NE 2.93Å; S690-R694 PolarHBondContact OG-NH2 3.19Å; M692-R694 VanDerWaalsContact C-N 3.32Å; M692-R694 PolarHBondContact O-N 3.01Å; R694-K698 VanDerWaalsContact O-CB 3.22Å; R694-K698 WeakPolarHBondContact O-CB 3.45Å; R694-K698 PolarHBondContact O-N 2.86Å
695	N	53.6	Low	43	Very low	91 Å²	91	84.7 Å²	84.7	49%	0.487	42%	0.416	S	S	.	.	H	α-helix	trans	-80.1	-33.2	175.8	-83.6	-66.7	0	0	0	112.8	E691 M692 N693 K699	E691-N695 WeakPolarHBondContact O-CB 3.44Å; E691-N695 PolarHBondContact O-N 2.74Å; E691-N695 PolarHBondContact O-ND2 3.06Å; M692-N695 WeakPolarHBondContact O-CA 3.4Å; M692-N695 WeakPolarHBondContact O-CB 3.31Å; M692-N695 PolarHBondContact O-N 3.47Å; N693-N695 VanDerWaalsContact C-N 3.28Å; N693-N695 PolarHBondContact O-N 3.13Å; N695-K699 WeakPolarHBondContact O-CG 3.31Å; N695-K699 PolarHBondContact O-N 3.18Å
696	D	52.4	Low	43.8	Very low	69 Å²	69	84.5 Å²	84.5	37%	0.369	41%	0.409	S	S	.	.	H	α-helix	trans	-76.5	-43.9	178.4	-76.2	-58.2	0	0	0	112.6	M692 N693 K698 K699 E700	M692-D696 PolarHBondContact O-N 3.25Å; N693-D696 PolarHBondContact O-N 3.04Å; D696-K698 PolarHBondContact O-N 3.41Å; D696-K698 VanDerWaalsContact O-N 3.15Å; D696-K699 WeakPolarHBondContact O-CA 3.46Å; D696-K699 WeakPolarHBondContact O-CB 2.97Å; D696-K699 PolarHBondContact O-N 3.45Å; D696-K699 WeakPolarHBondContact OD1-CD 3.23Å; D696-K699 WeakPolarHBondContact OD1-CE 3.35Å; D696-K699 IonicContact OD1-NZ 2.7Å; D696-K699 PolarHBondContact OD1-NZ 2.71Å; D696-K699 IonicContact OD2-NZ 2.68Å; D696-E700 PolarHBondContact O-N 3.01Å; D696-E700 VanDerWaalsContact O-N 3.1Å
697	E	47.6	Very low	44.4	Very low	43 Å²	43	82.7 Å²	82.7	20%	0.201	40%	0.398	C	S	.	.	H	α-helix	trans	-56.2	-34.8	169.3	-73.8	-157.5	109.1	0	0	112.2	N693 K699 E700 L701 K742 M746 F755	N693-E697 PolarHBondContact O-N 3.18Å; E697-K699 VanDerWaalsContact C-N 3.32Å; E697-K699 PolarHBondContact O-N 3.21Å; E697-E700 PolarHBondContact O-N 3.5Å; E697-L701 WeakPolarHBondContact O-CG 3.22Å; E697-L701 PolarHBondContact O-N 3.1Å; E697-K742 WeakPolarHBondContact OE1-CE 3.49Å; E697-K742 IonicContact OE1-NZ 2.86Å; E697-K742 PolarHBondContact OE1-NZ 3.19Å; E697-K742 IonicContact OE2-NZ 2.65Å; E697-M746 HydrophobicContact CB-CE 3.54Å; E697-M746 HydrophobicContact CG-CE 4.32Å; E697-M746 WeakPolarHBondContact OE2-CE 3.47Å; E697-F755 WeakPolarHBondContact OE2-CZ 3.28Å
698	K	52	Low	44.9	Very low	73 Å²	73	78.2 Å²	78.2	32%	0.317	38%	0.375	S	S	.	.	H	α-helix	trans	-69.8	-27.1	177.6	-167.5	168.4	-171.8	164.3	0	112.2	R694 D696 I702 F743	R694-K698 VanDerWaalsContact O-CB 3.22Å; R694-K698 WeakPolarHBondContact O-CB 3.45Å; R694-K698 PolarHBondContact O-N 2.86Å; D696-K698 PolarHBondContact O-N 3.41Å; D696-K698 VanDerWaalsContact O-N 3.15Å; K698-I702 VanDerWaalsContact O-CD1 3.31Å; K698-I702 WeakPolarHBondContact O-CD1 3.19Å; K698-I702 WeakPolarHBondContact O-CG1 3.08Å; K698-I702 PolarHBondContact O-N 3.2Å; K698-F743 HydrophobicContact CG-CE1 4.14Å
699	K	53.1	Low	45.5	Very low	107 Å²	107	77.3 Å²	77.3	47%	0.465	37%	0.374	S	S	.	.	H	α-helix	trans	-71.8	-41.4	169.1	-66	164.6	-159.5	164.6	0	111	N695 D696 E697 I702 K703	N695-K699 WeakPolarHBondContact O-CG 3.31Å; N695-K699 PolarHBondContact O-N 3.18Å; D696-K699 WeakPolarHBondContact O-CA 3.46Å; D696-K699 WeakPolarHBondContact O-CB 2.97Å; D696-K699 PolarHBondContact O-N 3.45Å; D696-K699 WeakPolarHBondContact OD1-CD 3.23Å; D696-K699 WeakPolarHBondContact OD1-CE 3.35Å; D696-K699 IonicContact OD1-NZ 2.7Å; D696-K699 PolarHBondContact OD1-NZ 2.71Å; D696-K699 IonicContact OD2-NZ 2.68Å; E697-K699 VanDerWaalsContact C-N 3.32Å; E697-K699 PolarHBondContact O-N 3.21Å; K699-I702 WeakPolarHBondContact O-CB 3.31Å; K699-I702 PolarHBondContact O-N 3.42Å; K699-K703 PolarHBondContact O-N 3.47Å
700	E	48.2	Very low	46.1	Very low	48 Å²	48	75.3 Å²	75.3	22%	0.224	37%	0.367	C	S	.	.	H	α-helix	trans	-66.2	-43.3	178.7	-58	-39.3	111.2	0	0	112.1	D696 E697 I702 K703 I704	D696-E700 PolarHBondContact O-N 3.01Å; D696-E700 VanDerWaalsContact O-N 3.1Å; E697-E700 PolarHBondContact O-N 3.5Å; E700-I702 PolarHBondContact O-N 3.29Å; E700-K703 WeakPolarHBondContact O-CB 3.47Å; E700-K703 PolarHBondContact O-N 3Å; E700-K703 WeakPolarHBondContact OE1-CD 3.29Å; E700-K703 WeakPolarHBondContact OE1-CE 3.44Å; E700-K703 IonicContact OE1-NZ 3.27Å; E700-K703 PolarHBondContact OE1-NZ 3.49Å; E700-K703 WeakPolarHBondContact OE2-CD 3.5Å; E700-K703 WeakPolarHBondContact OE2-CE 3.47Å; E700-K703 IonicContact OE2-NZ 3.79Å; E700-K703 PolarHBondContact OE2-NZ 3.22Å; E700-I704 WeakPolarHBondContact O-CG1 3.46Å; E700-I704 PolarHBondContact O-N 3.03Å
701	L	47.1	Very low	46.2	Very low	15 Å²	15	77 Å²	77	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-30.4	172.8	-69	170.8	0	0	0	112.9	E697 S705 I739 K742 F743 M746	E697-L701 WeakPolarHBondContact O-CG 3.22Å; E697-L701 PolarHBondContact O-N 3.1Å; L701-S705 VanDerWaalsContact O-CB 3.31Å; L701-S705 WeakPolarHBondContact O-CB 3.43Å; L701-S705 PolarHBondContact O-N 3.16Å; L701-S705 PolarHBondContact O-OG 3.48Å; L701-I739 HydrophobicContact CD2-CG1 4.32Å; L701-I739 HydrophobicContact CD2-CG2 4.49Å; L701-K742 HydrophobicContact CD1-CB 4.32Å; L701-K742 HydrophobicContact CD1-CD 3.94Å; L701-K742 HydrophobicContact CD1-CG 3.9Å; L701-K742 HydrophobicContact CD2-CD 4.28Å; L701-F743 HydrophobicContact CB-CE2 3.77Å; L701-F743 HydrophobicContact CB-CZ 3.87Å; L701-M746 HydrophobicContact CD1-CE 3.76Å; L701-M746 HydrophobicContact CD1-SD 3.53Å; L701-M746 VanDerWaalsContact CD1-SD 3.53Å
702	I	54.3	Low	46.6	Very low	75 Å²	75	73.9 Å²	73.9	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-72.1	-35.1	172	-70.1	168.3	0	0	0	111.9	K698 K699 E700 S705 K706 F743	K698-I702 VanDerWaalsContact O-CD1 3.31Å; K698-I702 WeakPolarHBondContact O-CD1 3.19Å; K698-I702 WeakPolarHBondContact O-CG1 3.08Å; K698-I702 PolarHBondContact O-N 3.2Å; K699-I702 WeakPolarHBondContact O-CB 3.31Å; K699-I702 PolarHBondContact O-N 3.42Å; E700-I702 PolarHBondContact O-N 3.29Å; I702-S705 WeakPolarHBondContact CA-OG 3.48Å; I702-S705 PolarHBondContact O-OG 2.94Å; I702-S705 VanDerWaalsContact O-OG 3.08Å; I702-K706 HydrophobicContact CG2-CD 4.41Å; I702-K706 WeakPolarHBondContact O-CB 3.38Å; I702-K706 VanDerWaalsContact O-CG 3.29Å; I702-K706 WeakPolarHBondContact O-CG 3.35Å; I702-K706 PolarHBondContact O-N 3.1Å; I702-F743 HydrophobicContact CG1-CZ 4.07Å
703	K	48.3	Very low	47	Very low	112 Å²	112	70.8 Å²	70.8	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-47.8	173.5	-73.6	157.4	160	179.3	0	111.7	K699 E700 S705 K706 Y707	K699-K703 PolarHBondContact O-N 3.47Å; E700-K703 WeakPolarHBondContact O-CB 3.47Å; E700-K703 PolarHBondContact O-N 3Å; E700-K703 WeakPolarHBondContact OE1-CD 3.29Å; E700-K703 WeakPolarHBondContact OE1-CE 3.44Å; E700-K703 IonicContact OE1-NZ 3.27Å; E700-K703 PolarHBondContact OE1-NZ 3.49Å; E700-K703 WeakPolarHBondContact OE2-CD 3.5Å; E700-K703 WeakPolarHBondContact OE2-CE 3.47Å; E700-K703 IonicContact OE2-NZ 3.79Å; E700-K703 PolarHBondContact OE2-NZ 3.22Å; K703-S705 PolarHBondContact O-N 2.79Å; K703-K706 WeakPolarHBondContact O-CB 3.41Å; K703-K706 PolarHBondContact O-N 3.37Å; K703-Y707 PolarHBondContact O-N 3.41Å
704	I	44.4	Very low	46.7	Very low	76 Å²	76	71.3 Å²	71.3	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-44.2	-179.4	-61.1	165.5	0	0	0	110.2	E700 K706 Y707 T708 I739	E700-I704 WeakPolarHBondContact O-CG1 3.46Å; E700-I704 PolarHBondContact O-N 3.03Å; I704-K706 VanDerWaalsContact C-N 3.33Å; I704-K706 PolarHBondContact O-N 3.2Å; I704-Y707 WeakPolarHBondContact O-CB 3.23Å; I704-Y707 PolarHBondContact O-N 2.95Å; I704-Y707 VanDerWaalsContact O-N 3.12Å; I704-T708 PolarHBondContact O-N 3.38Å; I704-T708 PolarHBondContact O-OG1 3.01Å; I704-I739 HydrophobicContact CB-CD1 4.44Å; I704-I739 HydrophobicContact CG2-CD1 3.7Å
705	S	45.8	Very low	46.3	Very low	29 Å²	29	68.1 Å²	68.1	20%	0.203	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-37.7	174.6	56.6	0	0	0	0	113	L701 I702 K703 T708 T709	L701-S705 VanDerWaalsContact O-CB 3.31Å; L701-S705 WeakPolarHBondContact O-CB 3.43Å; L701-S705 PolarHBondContact O-N 3.16Å; L701-S705 PolarHBondContact O-OG 3.48Å; I702-S705 WeakPolarHBondContact CA-OG 3.48Å; I702-S705 PolarHBondContact O-OG 2.94Å; I702-S705 VanDerWaalsContact O-OG 3.08Å; K703-S705 PolarHBondContact O-N 2.79Å; S705-T708 WeakPolarHBondContact CA-OG1 3.39Å; S705-T708 PolarHBondContact O-N 3.13Å; S705-T708 PolarHBondContact O-OG1 2.8Å; S705-T708 VanDerWaalsContact O-OG1 3.08Å; S705-T709 WeakPolarHBondContact O-CB 3.49Å; S705-T709 PolarHBondContact O-N 2.98Å; S705-T709 PolarHBondContact O-OG1 2.97Å
706	K	48.6	Very low	45.6	Very low	120 Å²	120	65.4 Å²	65.4	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-39	171.3	-76.8	174.3	179.1	179.5	0	112.5	I702 K703 I704 T709 D710	I702-K706 HydrophobicContact CG2-CD 4.41Å; I702-K706 WeakPolarHBondContact O-CB 3.38Å; I702-K706 VanDerWaalsContact O-CG 3.29Å; I702-K706 WeakPolarHBondContact O-CG 3.35Å; I702-K706 PolarHBondContact O-N 3.1Å; K703-K706 WeakPolarHBondContact O-CB 3.41Å; K703-K706 PolarHBondContact O-N 3.37Å; I704-K706 VanDerWaalsContact C-N 3.33Å; I704-K706 PolarHBondContact O-N 3.2Å; K706-T709 PolarHBondContact O-N 2.97Å; K706-D710 WeakPolarHBondContact O-CA 3.32Å; K706-D710 VanDerWaalsContact O-CB 3.23Å; K706-D710 WeakPolarHBondContact O-CB 3.45Å; K706-D710 PolarHBondContact O-N 3.17Å
707	Y	42.7	Very low	45	Very low	82 Å²	82	69.7 Å²	69.7	32%	0.322	34%	0.34	S	S	.	.	I	π-helix	trans	-61	-49.1	174.4	-174.7	-81.4	0	0	0	111.5	K703 I704 T709 I711 M712	K703-Y707 PolarHBondContact O-N 3.41Å; I704-Y707 WeakPolarHBondContact O-CB 3.23Å; I704-Y707 PolarHBondContact O-N 2.95Å; I704-Y707 VanDerWaalsContact O-N 3.12Å; Y707-T709 VanDerWaalsContact C-N 3.26Å; Y707-T709 PolarHBondContact O-N 3.46Å; Y707-I711 HydrophobicContact CD2-CB 4.39Å; Y707-I711 HydrophobicContact CD2-CD1 3.89Å; Y707-I711 HydrophobicContact CD2-CG2 4.44Å; Y707-I711 HydrophobicContact CE2-CD1 4.49Å; Y707-I711 HydrophobicContact CE2-CG2 4.27Å; Y707-I711 WeakPolarHBondContact O-CB 3.37Å; Y707-I711 PolarHBondContact O-N 3.19Å; Y707-M712 PolarHBondContact O-N 3.02Å
708	T	42.4	Very low	44.4	Very low	5 Å²	5	73 Å²	73	3%	0.031	36%	0.358	C	S	.	.	I	π-helix	trans	-70.7	-17.7	-179.8	53.9	0	0	0	0	114.3	I704 S705 R732 L735	I704-T708 PolarHBondContact O-N 3.38Å; I704-T708 PolarHBondContact O-OG1 3.01Å; S705-T708 WeakPolarHBondContact CA-OG1 3.39Å; S705-T708 PolarHBondContact O-N 3.13Å; S705-T708 PolarHBondContact O-OG1 2.8Å; S705-T708 VanDerWaalsContact O-OG1 3.08Å; T708-R732 PolarHBondContact O-NE 3.36Å; T708-R732 VanDerWaalsContact O-NE 3.12Å; T708-L735 HydrophobicContact CG2-CB 4.4Å; T708-L735 HydrophobicContact CG2-CD1 4.23Å
709	T	45	Very low	43.5	Very low	73 Å²	73	70.7 Å²	70.7	45%	0.448	35%	0.349	S	S	.	.	I	π-helix	trans	-102.5	-40.3	-178.7	-51	0	0	0	0	113.2	S705 K706 Y707 P713	S705-T709 WeakPolarHBondContact O-CB 3.49Å; S705-T709 PolarHBondContact O-N 2.98Å; S705-T709 PolarHBondContact O-OG1 2.97Å; K706-T709 PolarHBondContact O-N 2.97Å; Y707-T709 VanDerWaalsContact C-N 3.26Å; Y707-T709 PolarHBondContact O-N 3.46Å; T709-P713 WeakPolarHBondContact O-CD 3.3Å; T709-P713 VanDerWaalsContact O-CG 3.25Å; T709-P713 WeakPolarHBondContact O-CG 3.39Å
710	D	44.9	Very low	42.6	Very low	79 Å²	79	68.3 Å²	68.3	42%	0.422	34%	0.344	S	S	.	.	I	π-helix	trans	-105.8	-26	-170.1	-56.1	-27.5	0	0	0	113.9	K706 K714	K706-D710 WeakPolarHBondContact O-CA 3.32Å; K706-D710 VanDerWaalsContact O-CB 3.23Å; K706-D710 WeakPolarHBondContact O-CB 3.45Å; K706-D710 PolarHBondContact O-N 3.17Å; D710-K714 WeakPolarHBondContact O-CE 3.34Å; D710-K714 PolarHBondContact O-NZ 3.43Å
711	I	37.6	Very low	42.1	Very low	79 Å²	79	74.9 Å²	74.9	41%	0.405	37%	0.372	S	S	.	.	I	π-helix	trans	-106.7	-48.6	-173.6	-61	176.5	0	0	0	110.7	Y707 P713 K714 V715	Y707-I711 HydrophobicContact CD2-CB 4.39Å; Y707-I711 HydrophobicContact CD2-CD1 3.89Å; Y707-I711 HydrophobicContact CD2-CG2 4.44Å; Y707-I711 HydrophobicContact CE2-CD1 4.49Å; Y707-I711 HydrophobicContact CE2-CG2 4.27Å; Y707-I711 WeakPolarHBondContact O-CB 3.37Å; Y707-I711 PolarHBondContact O-N 3.19Å; I711-P713 VanDerWaalsContact C-N 3.32Å; I711-K714 WeakPolarHBondContact O-CB 3.41Å; I711-K714 PolarHBondContact O-N 3.38Å; I711-V715 HydrophobicContact CG2-CG2 4.46Å; I711-V715 PolarHBondContact O-N 2.87Å; I711-V715 VanDerWaalsContact O-N 3.14Å
712	M	41	Very low	41.5	Very low	40 Å²	40	79.6 Å²	79.6	20%	0.197	39%	0.392	C	S	.	.	H	α-helix	trans	-49.5	-43.7	177.3	-119.5	-72.3	174.8	0	0	113.3	Y707 K714 V715 N716 I728	Y707-M712 PolarHBondContact O-N 3.02Å; M712-K714 VanDerWaalsContact C-N 3.33Å; M712-K714 PolarHBondContact O-N 2.85Å; M712-V715 PolarHBondContact O-N 3.21Å; M712-N716 PolarHBondContact O-N 3.1Å; M712-N716 VanDerWaalsContact O-N 3.14Å; M712-N716 PolarHBondContact O-ND2 2.62Å; M712-N716 PolarHBondContact SD-ND2 3.02Å; M712-I728 HydrophobicContact CE-CG2 4.06Å; M712-I728 HydrophobicContact SD-CG2 4.01Å
713	P	43.6	Very low	40.5	Very low	44 Å²	44	80.4 Å²	80.4	29%	0.286	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-35.2	175.8	-28	39.1	0	0	0	114.4	T709 I711 N716 E717	T709-P713 WeakPolarHBondContact O-CD 3.3Å; T709-P713 VanDerWaalsContact O-CG 3.25Å; T709-P713 WeakPolarHBondContact O-CG 3.39Å; I711-P713 VanDerWaalsContact C-N 3.32Å; P713-N716 CarbonylContact O-C 3.42Å; P713-N716 WeakPolarHBondContact O-CA 3.24Å; P713-N716 WeakPolarHBondContact O-CB 3.45Å; P713-N716 PolarHBondContact O-N 3.09Å; P713-N716 VanDerWaalsContact O-N 3.15Å; P713-E717 PolarHBondContact O-N 3.19Å; P713-E717 VanDerWaalsContact O-N 3.12Å
714	K	41.4	Very low	39.8	Very low	119 Å²	119	76.9 Å²	76.9	52%	0.517	38%	0.38	S	S	.	.	H	α-helix	trans	-72.2	-34.2	179	-61.9	176.6	-178.4	120.1	0	111.9	D710 I711 M712 N716 E717 I718	D710-K714 WeakPolarHBondContact O-CE 3.34Å; D710-K714 PolarHBondContact O-NZ 3.43Å; I711-K714 WeakPolarHBondContact O-CB 3.41Å; I711-K714 PolarHBondContact O-N 3.38Å; M712-K714 VanDerWaalsContact C-N 3.33Å; M712-K714 PolarHBondContact O-N 2.85Å; K714-N716 PolarHBondContact O-N 2.68Å; K714-E717 WeakPolarHBondContact O-CB 2.99Å; K714-E717 PolarHBondContact O-N 2.86Å; K714-I718 WeakPolarHBondContact O-CG1 3.4Å; K714-I718 PolarHBondContact O-N 2.89Å
715	V	37.5	Very low	39.3	Very low	52 Å²	52	76.7 Å²	76.7	32%	0.315	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-37.6	169.1	179.2	0	0	0	0	110.5	I711 M712 E717 I718 I719	I711-V715 HydrophobicContact CG2-CG2 4.46Å; I711-V715 PolarHBondContact O-N 2.87Å; I711-V715 VanDerWaalsContact O-N 3.14Å; M712-V715 PolarHBondContact O-N 3.21Å; V715-E717 VanDerWaalsContact C-N 3.27Å; V715-E717 PolarHBondContact O-N 3.14Å; V715-I718 PolarHBondContact O-N 3.25Å; V715-I719 HydrophobicContact CG1-CD1 3.77Å; V715-I719 HydrophobicContact CG1-CG1 4.48Å; V715-I719 WeakPolarHBondContact O-CG1 3.22Å; V715-I719 PolarHBondContact O-N 3.02Å; V715-I719 VanDerWaalsContact O-N 3.08Å
716	N	40.4	Very low	38.8	Very low	33 Å²	33	78.2 Å²	78.2	18%	0.176	39%	0.391	C	S	.	.	H	α-helix	trans	-73.9	-7.8	173.3	-71.5	-76.8	0	0	0	114.7	M712 P713 K714 V724	M712-N716 PolarHBondContact O-N 3.1Å; M712-N716 VanDerWaalsContact O-N 3.14Å; M712-N716 PolarHBondContact O-ND2 2.62Å; M712-N716 PolarHBondContact SD-ND2 3.02Å; P713-N716 CarbonylContact O-C 3.42Å; P713-N716 WeakPolarHBondContact O-CA 3.24Å; P713-N716 WeakPolarHBondContact O-CB 3.45Å; P713-N716 PolarHBondContact O-N 3.09Å; P713-N716 VanDerWaalsContact O-N 3.15Å; K714-N716 PolarHBondContact O-N 2.68Å; N716-V724 WeakPolarHBondContact OD1-CG1 3.2Å; N716-V724 WeakPolarHBondContact OD1-CG2 3.1Å
717	E	40.2	Very low	38.1	Very low	159 Å²	159	77 Å²	77	74%	0.743	39%	0.387	S	S	*	.	H	α-helix	trans	-89.6	-29.6	168.8	-68.5	174.3	142.7	0	0	112	P713 K714 V715	P713-E717 PolarHBondContact O-N 3.19Å; P713-E717 VanDerWaalsContact O-N 3.12Å; K714-E717 WeakPolarHBondContact O-CB 2.99Å; K714-E717 PolarHBondContact O-N 2.86Å; V715-E717 VanDerWaalsContact C-N 3.27Å; V715-E717 PolarHBondContact O-N 3.14Å
718	I	33.5	Very low	37.8	Very low	113 Å²	113	74.3 Å²	74.3	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-79.2	-35.6	177.5	-62.6	164.2	0	0	0	111.2	K714 V715	K714-I718 WeakPolarHBondContact O-CG1 3.4Å; K714-I718 PolarHBondContact O-N 2.89Å; V715-I718 PolarHBondContact O-N 3.25Å
719	I	32.6	Very low	37.8	Very low	25 Å²	25	76.8 Å²	76.8	13%	0.128	40%	0.395	C	S	.	.	S	Bend	trans	-86.7	128.7	-180	-62	173.7	0	0	0	110	V715 K721 F723 V724	V715-I719 HydrophobicContact CG1-CD1 3.77Å; V715-I719 HydrophobicContact CG1-CG1 4.48Å; V715-I719 WeakPolarHBondContact O-CG1 3.22Å; V715-I719 PolarHBondContact O-N 3.02Å; V715-I719 VanDerWaalsContact O-N 3.08Å; I719-K721 PolarHBondContact O-N 3Å; I719-F723 HydrophobicContact CG2-CB 3.54Å; I719-V724 HydrophobicContact CB-CG2 4.25Å; I719-V724 HydrophobicContact CG2-CG2 3.88Å
720	P	36.1	Very low	37.5	Very low	57 Å²	57	74.9 Å²	74.9	37%	0.37	38%	0.383	S	S	.	.			trans	-56.9	134.9	176.5	-25.8	34.5	0	0	0	112.3	K722 F723	P720-K722 PolarHBondContact O-N 3.46Å; P720-F723 PolarHBondContact O-N 3.05Å
721	K	36.9	Very low	37.2	Very low	186 Å²	186	75.2 Å²	75.2	81%	0.809	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-3.2	-176.4	-69.5	-174.9	176.5	179.8	0	117	I719	I719-K721 PolarHBondContact O-N 3Å
722	K	33.6	Very low	37.5	Very low	114 Å²	114	76 Å²	76	50%	0.496	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-11.4	172	-59.4	-168.2	-178	-166.8	0	114	P720 L785	P720-K722 PolarHBondContact O-N 3.46Å; K722-L785 HydrophobicContact CD-CD2 3.78Å; K722-L785 HydrophobicContact CG-CD2 3.98Å
723	F	33.5	Very low	37.8	Very low	91 Å²	91	79.7 Å²	79.7	40%	0.399	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-24	165.8	-95.6	-88.4	0	0	0	111.7	I719 P720 N725	I719-F723 HydrophobicContact CG2-CB 3.54Å; P720-F723 PolarHBondContact O-N 3.05Å; F723-N725 PolarHBondContact O-N 2.81Å
724	V	33.7	Very low	37.9	Very low	38 Å²	38	79.5 Å²	79.5	23%	0.23	40%	0.397	C	S	.	.			trans	-73.3	73	173	-172.3	0	0	0	0	110.2	N716 I719 I728	N716-V724 WeakPolarHBondContact OD1-CG1 3.2Å; N716-V724 WeakPolarHBondContact OD1-CG2 3.1Å; I719-V724 HydrophobicContact CB-CG2 4.25Å; I719-V724 HydrophobicContact CG2-CG2 3.88Å; V724-I728 HydrophobicContact CG1-CB 4.33Å; V724-I728 HydrophobicContact CG1-CG2 4.34Å
725	N	33.4	Very low	37.9	Very low	73 Å²	73	77.3 Å²	77.3	39%	0.39	39%	0.391	S	S	.	.			trans	-79.4	161.7	175.4	-84.1	-34.8	0	0	0	111.8	F723 H727 I728 F786	F723-N725 PolarHBondContact O-N 2.81Å; N725-H727 PolarHBondContact O-N 3.46Å; N725-I728 PolarHBondContact O-N 2.84Å; N725-F786 WeakPolarHBondContact OD1-CE2 3.33Å
726	S	36.4	Very low	38.4	Very low	60 Å²	60	77.5 Å²	77.5	42%	0.42	39%	0.39	S	S	.	.	H	α-helix	trans	-38.6	-43.1	-169.1	-153.2	0	0	0	0	115.4	I728 S729 T730	S726-I728 VanDerWaalsContact C-N 3.28Å; S726-I728 PolarHBondContact O-N 2.99Å; S726-I728 VanDerWaalsContact O-N 3.16Å; S726-S729 PolarHBondContact O-N 3.49Å; S726-S729 PolarHBondContact O-OG 2.98Å; S726-T730 PolarHBondContact O-N 3.16Å; S726-T730 PolarHBondContact O-OG1 2.67Å; S726-T730 VanDerWaalsContact O-OG1 3.09Å
727	H	34.2	Very low	39	Very low	94 Å²	94	79.2 Å²	79.2	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-46.8	-42.7	179	-65.3	98.6	0	0	0	114.4	N725 S729 T730 I731	N725-H727 PolarHBondContact O-N 3.46Å; H727-S729 PolarHBondContact O-N 2.91Å; H727-T730 PolarHBondContact O-N 3.41Å; H727-I731 VanDerWaalsContact O-CB 3.3Å; H727-I731 WeakPolarHBondContact O-CB 3.49Å; H727-I731 WeakPolarHBondContact O-CD1 3.36Å; H727-I731 WeakPolarHBondContact O-CG1 3.37Å; H727-I731 PolarHBondContact O-N 3.24Å
728	I	35.2	Very low	39.3	Very low	27 Å²	27	74.3 Å²	74.3	14%	0.138	39%	0.388	C	S	.	.	H	α-helix	trans	-67.8	-38.9	-178	-67.6	176.8	0	0	0	111.3	M712 V724 N725 S726 R732	M712-I728 HydrophobicContact CE-CG2 4.06Å; M712-I728 HydrophobicContact SD-CG2 4.01Å; V724-I728 HydrophobicContact CG1-CB 4.33Å; V724-I728 HydrophobicContact CG1-CG2 4.34Å; N725-I728 PolarHBondContact O-N 2.84Å; S726-I728 VanDerWaalsContact C-N 3.28Å; S726-I728 PolarHBondContact O-N 2.99Å; S726-I728 VanDerWaalsContact O-N 3.16Å; I728-R732 VanDerWaalsContact O-CB 3.26Å; I728-R732 WeakPolarHBondContact O-CB 3.4Å; I728-R732 PolarHBondContact O-N 3.14Å; I728-R732 VanDerWaalsContact O-N 3.14Å
729	S	42.2	Very low	39.9	Very low	57 Å²	57	69.6 Å²	69.6	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-68.7	-41.2	172	27.1	0	0	0	0	112.5	S726 H727 R732 I733	S726-S729 PolarHBondContact O-N 3.49Å; S726-S729 PolarHBondContact O-OG 2.98Å; H727-S729 PolarHBondContact O-N 2.91Å; S729-R732 PolarHBondContact O-N 3.42Å; S729-I733 VanDerWaalsContact O-CG1 3.29Å; S729-I733 WeakPolarHBondContact O-CG1 3.47Å; S729-I733 PolarHBondContact O-N 2.94Å
730	T	40.3	Very low	40.9	Very low	32 Å²	32	71.1 Å²	71.1	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-54.3	177.9	-58.8	0	0	0	0	111.1	S726 H727 R732 I733 E734	S726-T730 PolarHBondContact O-N 3.16Å; S726-T730 PolarHBondContact O-OG1 2.67Å; S726-T730 VanDerWaalsContact O-OG1 3.09Å; H727-T730 PolarHBondContact O-N 3.41Å; T730-R732 VanDerWaalsContact C-N 3.27Å; T730-R732 PolarHBondContact O-N 3.45Å; T730-I733 PolarHBondContact O-N 2.88Å; T730-E734 WeakPolarHBondContact CG2-OE1 3.47Å; T730-E734 WeakPolarHBondContact O-CB 3.47Å; T730-E734 WeakPolarHBondContact O-CG 3.47Å; T730-E734 PolarHBondContact O-N 2.98Å
731	I	38.8	Very low	41.8	Very low	86 Å²	86	72.6 Å²	72.6	44%	0.441	38%	0.378	S	S	.	.	H	α-helix	trans	-55.7	-41.6	175.7	-69.6	164.3	0	0	0	111	H727 E734 L735	H727-I731 VanDerWaalsContact O-CB 3.3Å; H727-I731 WeakPolarHBondContact O-CB 3.49Å; H727-I731 WeakPolarHBondContact O-CD1 3.36Å; H727-I731 WeakPolarHBondContact O-CG1 3.37Å; H727-I731 PolarHBondContact O-N 3.24Å; I731-E734 PolarHBondContact O-N 3.3Å; I731-L735 HydrophobicContact CG2-CD1 3.88Å; I731-L735 WeakPolarHBondContact O-CB 3.35Å; I731-L735 PolarHBondContact O-N 3.29Å
732	R	42.9	Very low	42.4	Very low	95 Å²	95	66.5 Å²	66.5	36%	0.358	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-36.5	177.1	-172.9	176.8	-177.2	-136.1	-3.6	112.7	T708 I728 S729 T730 N736	T708-R732 PolarHBondContact O-NE 3.36Å; T708-R732 VanDerWaalsContact O-NE 3.12Å; I728-R732 VanDerWaalsContact O-CB 3.26Å; I728-R732 WeakPolarHBondContact O-CB 3.4Å; I728-R732 PolarHBondContact O-N 3.14Å; I728-R732 VanDerWaalsContact O-N 3.14Å; S729-R732 PolarHBondContact O-N 3.42Å; T730-R732 VanDerWaalsContact C-N 3.27Å; T730-R732 PolarHBondContact O-N 3.45Å; R732-N736 WeakPolarHBondContact O-CB 3.48Å; R732-N736 PolarHBondContact O-N 2.79Å; R732-N736 PolarHBondContact O-ND2 3.05Å
733	I	48.3	Very low	43.3	Very low	119 Å²	119	63.6 Å²	63.6	61%	0.61	34%	0.339	S	S	*	.	H	α-helix	trans	-69.9	-45.7	175.9	-71.4	163.3	0	0	0	110.1	S729 T730 N736 S737	S729-I733 VanDerWaalsContact O-CG1 3.29Å; S729-I733 WeakPolarHBondContact O-CG1 3.47Å; S729-I733 PolarHBondContact O-N 2.94Å; T730-I733 PolarHBondContact O-N 2.88Å; I733-N736 PolarHBondContact O-N 3.39Å; I733-S737 WeakPolarHBondContact O-CB 3.41Å; I733-S737 PolarHBondContact O-N 2.95Å
734	E	44.1	Very low	44.6	Very low	40 Å²	40	66.1 Å²	66.1	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-43.1	-175.8	-71.4	164.9	-178.3	0	0	111.9	T730 I731 N736 S737 S738 W768 N772	T730-E734 WeakPolarHBondContact CG2-OE1 3.47Å; T730-E734 WeakPolarHBondContact O-CB 3.47Å; T730-E734 WeakPolarHBondContact O-CG 3.47Å; T730-E734 PolarHBondContact O-N 2.98Å; I731-E734 PolarHBondContact O-N 3.3Å; E734-N736 PolarHBondContact O-N 3.01Å; E734-S737 WeakPolarHBondContact O-CB 3.41Å; E734-S737 PolarHBondContact O-N 2.93Å; E734-S738 WeakPolarHBondContact O-CB 3.5Å; E734-S738 PolarHBondContact O-N 3.1Å; E734-S738 PolarHBondContact O-OG 2.67Å; E734-W768 HydrophobicContact CG-CZ3 4.42Å; E734-W768 VanDerWaalsContact OE1-CZ3 3.29Å; E734-W768 WeakPolarHBondContact OE1-CZ3 3.21Å; E734-N772 PolarHBondContact OE1-ND2 2.77Å
735	L	42.5	Very low	45.5	Very low	73 Å²	73	69.7 Å²	69.7	38%	0.382	36%	0.359	S	S	.	.	H	α-helix	trans	-58.1	-48	170.8	-90.6	160.6	0	0	0	112.2	T708 I731 S737 S738 I739	T708-L735 HydrophobicContact CG2-CB 4.4Å; T708-L735 HydrophobicContact CG2-CD1 4.23Å; I731-L735 HydrophobicContact CG2-CD1 3.88Å; I731-L735 WeakPolarHBondContact O-CB 3.35Å; I731-L735 PolarHBondContact O-N 3.29Å; L735-S737 VanDerWaalsContact C-N 3.3Å; L735-S737 PolarHBondContact O-N 3.18Å; L735-S738 PolarHBondContact O-N 2.94Å; L735-I739 WeakPolarHBondContact O-CB 3.46Å; L735-I739 WeakPolarHBondContact O-CD1 3.37Å; L735-I739 WeakPolarHBondContact O-CG1 3.35Å; L735-I739 PolarHBondContact O-N 2.65Å
736	N	48.6	Very low	46.4	Very low	55 Å²	55	68.4 Å²	68.4	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-66.7	-32.4	179.3	-79.1	-68.7	0	0	0	112.4	R732 I733 E734 S740	R732-N736 WeakPolarHBondContact O-CB 3.48Å; R732-N736 PolarHBondContact O-N 2.79Å; R732-N736 PolarHBondContact O-ND2 3.05Å; I733-N736 PolarHBondContact O-N 3.39Å; E734-N736 PolarHBondContact O-N 3.01Å; N736-S740 VanDerWaalsContact O-CB 3.24Å; N736-S740 WeakPolarHBondContact O-CB 2.95Å; N736-S740 PolarHBondContact O-N 3.19Å
737	S	51.3	Low	47.3	Very low	70 Å²	70	70.8 Å²	70.8	49%	0.49	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-52	172.8	-167.1	0	0	0	0	111.3	I733 E734 L735 I739 S740 E741	I733-S737 WeakPolarHBondContact O-CB 3.41Å; I733-S737 PolarHBondContact O-N 2.95Å; E734-S737 WeakPolarHBondContact O-CB 3.41Å; E734-S737 PolarHBondContact O-N 2.93Å; L735-S737 VanDerWaalsContact C-N 3.3Å; L735-S737 PolarHBondContact O-N 3.18Å; S737-I739 PolarHBondContact O-N 2.98Å; S737-S740 WeakPolarHBondContact O-CB 3.49Å; S737-S740 PolarHBondContact O-N 3.39Å; S737-S740 VanDerWaalsContact O-N 3.15Å; S737-E741 PolarHBondContact O-N 3.22Å
738	S	46.2	Very low	48.2	Very low	56 Å²	56	69.2 Å²	69.2	39%	0.392	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-39.7	178.6	-64.2	0	0	0	0	112.7	E734 L735 E741 K742	E734-S738 WeakPolarHBondContact O-CB 3.5Å; E734-S738 PolarHBondContact O-N 3.1Å; E734-S738 PolarHBondContact O-OG 2.67Å; L735-S738 PolarHBondContact O-N 2.94Å; S738-E741 PolarHBondContact O-N 3.35Å; S738-K742 PolarHBondContact O-N 3.35Å
739	I	47.9	Very low	48.7	Very low	14 Å²	14	73.6 Å²	73.6	7%	0.072	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-46.3	173.3	-68.4	162.6	0	0	0	110.4	L701 I704 L735 S737 E741 K742 F743	L701-I739 HydrophobicContact CD2-CG1 4.32Å; L701-I739 HydrophobicContact CD2-CG2 4.49Å; I704-I739 HydrophobicContact CB-CD1 4.44Å; I704-I739 HydrophobicContact CG2-CD1 3.7Å; L735-I739 WeakPolarHBondContact O-CB 3.46Å; L735-I739 WeakPolarHBondContact O-CD1 3.37Å; L735-I739 WeakPolarHBondContact O-CG1 3.35Å; L735-I739 PolarHBondContact O-N 2.65Å; S737-I739 PolarHBondContact O-N 2.98Å; I739-E741 VanDerWaalsContact C-N 3.3Å; I739-E741 PolarHBondContact O-N 3.04Å; I739-K742 PolarHBondContact O-N 2.86Å; I739-F743 HydrophobicContact CG2-CD2 3.75Å; I739-F743 HydrophobicContact CG2-CE2 3.81Å; I739-F743 WeakPolarHBondContact O-CB 3.37Å; I739-F743 VanDerWaalsContact O-CD2 3.31Å; I739-F743 WeakPolarHBondContact O-CD2 3.49Å; I739-F743 PolarHBondContact O-N 3.23Å
740	S	53.8	Low	48.7	Very low	56 Å²	56	76.4 Å²	76.4	39%	0.392	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-38	176.5	-171.4	0	0	0	0	112.2	N736 S737 F743 K744	N736-S740 VanDerWaalsContact O-CB 3.24Å; N736-S740 WeakPolarHBondContact O-CB 2.95Å; N736-S740 PolarHBondContact O-N 3.19Å; S737-S740 WeakPolarHBondContact O-CB 3.49Å; S737-S740 PolarHBondContact O-N 3.39Å; S737-S740 VanDerWaalsContact O-N 3.15Å; S740-F743 PolarHBondContact O-N 3.11Å; S740-K744 WeakPolarHBondContact O-CG 3.25Å; S740-K744 PolarHBondContact O-N 3.28Å
741	E	53.4	Low	48.8	Very low	88 Å²	88	82.8 Å²	82.8	41%	0.411	44%	0.436	S	S	.	.	H	α-helix	trans	-73.2	-41.5	178.2	-155.2	-175.1	162.1	0	0	112.6	S737 S738 I739 F743 K744 R745	S737-E741 PolarHBondContact O-N 3.22Å; S738-E741 PolarHBondContact O-N 3.35Å; I739-E741 VanDerWaalsContact C-N 3.3Å; I739-E741 PolarHBondContact O-N 3.04Å; E741-F743 VanDerWaalsContact C-N 3.29Å; E741-F743 PolarHBondContact O-N 3.42Å; E741-K744 WeakPolarHBondContact O-CB 3.48Å; E741-K744 PolarHBondContact O-N 2.99Å; E741-R745 WeakPolarHBondContact O-CG 3.4Å; E741-R745 PolarHBondContact O-N 3.31Å; E741-R745 IonicContact OE1-CZ 3.97Å; E741-R745 IonicContact OE1-NE 2.65Å; E741-R745 PolarHBondContact OE1-NE 3.23Å; E741-R745 IonicContact OE1-NH2 2.68Å; E741-R745 PolarHBondContact OE1-NH2 3.31Å
742	K	49	Very low	48.9	Very low	59 Å²	59	86 Å²	86	26%	0.257	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-37.4	172.2	-167.6	167	174	179	0	111	E697 L701 S738 I739 K744 R745 M746	E697-K742 WeakPolarHBondContact OE1-CE 3.49Å; E697-K742 IonicContact OE1-NZ 2.86Å; E697-K742 PolarHBondContact OE1-NZ 3.19Å; E697-K742 IonicContact OE2-NZ 2.65Å; L701-K742 HydrophobicContact CD1-CB 4.32Å; L701-K742 HydrophobicContact CD1-CD 3.94Å; L701-K742 HydrophobicContact CD1-CG 3.9Å; L701-K742 HydrophobicContact CD2-CD 4.28Å; S738-K742 PolarHBondContact O-N 3.35Å; I739-K742 PolarHBondContact O-N 2.86Å; K742-K744 PolarHBondContact O-N 3.18Å; K742-R745 PolarHBondContact O-N 2.96Å; K742-M746 HydrophobicContact CD-CE 4.48Å; K742-M746 HydrophobicContact CG-CE 4.3Å; K742-M746 HydrophobicContact CG-SD 4.36Å; K742-M746 WeakPolarHBondContact O-CB 3.38Å; K742-M746 VanDerWaalsContact O-CG 3.32Å; K742-M746 WeakPolarHBondContact O-CG 3.46Å; K742-M746 PolarHBondContact O-N 3.39Å
743	F	54.3	Low	48.7	Very low	53 Å²	53	87.1 Å²	87.1	23%	0.232	46%	0.459	C	S	.	.	H	α-helix	trans	-62.5	-36.4	169.7	-92.2	-66.5	0	0	0	113.6	K698 L701 I702 I739 S740 E741 N747	K698-F743 HydrophobicContact CG-CE1 4.14Å; L701-F743 HydrophobicContact CB-CE2 3.77Å; L701-F743 HydrophobicContact CB-CZ 3.87Å; I702-F743 HydrophobicContact CG1-CZ 4.07Å; I739-F743 HydrophobicContact CG2-CD2 3.75Å; I739-F743 HydrophobicContact CG2-CE2 3.81Å; I739-F743 WeakPolarHBondContact O-CB 3.37Å; I739-F743 VanDerWaalsContact O-CD2 3.31Å; I739-F743 WeakPolarHBondContact O-CD2 3.49Å; I739-F743 PolarHBondContact O-N 3.23Å; S740-F743 PolarHBondContact O-N 3.11Å; E741-F743 VanDerWaalsContact C-N 3.29Å; E741-F743 PolarHBondContact O-N 3.42Å; F743-N747 PolarHBondContact O-N 2.95Å; F743-N747 PolarHBondContact O-ND2 3.21Å
744	K	60.8	Low	48.2	Very low	144 Å²	144	87.5 Å²	87.5	63%	0.626	46%	0.462	S	S	*	.	H	α-helix	trans	-65.7	-49.1	173.8	-71.9	166.2	-171.6	170	0	110.9	S740 E741 K742 M746 N747 S748	S740-K744 WeakPolarHBondContact O-CG 3.25Å; S740-K744 PolarHBondContact O-N 3.28Å; E741-K744 WeakPolarHBondContact O-CB 3.48Å; E741-K744 PolarHBondContact O-N 2.99Å; K742-K744 PolarHBondContact O-N 3.18Å; K744-M746 VanDerWaalsContact C-N 3.3Å; K744-M746 PolarHBondContact O-N 3.43Å; K744-N747 PolarHBondContact O-N 3.47Å; K744-S748 PolarHBondContact O-N 3.42Å
745	R	52.6	Low	47.8	Very low	113 Å²	113	90 Å²	90	43%	0.426	47%	0.472	S	S	.	.	H	α-helix	trans	-64.8	-29.3	179.9	-62.9	178.4	-171.4	-165.6	4.2	113.2	E741 K742 N747 S748	E741-R745 WeakPolarHBondContact O-CG 3.4Å; E741-R745 PolarHBondContact O-N 3.31Å; E741-R745 IonicContact OE1-CZ 3.97Å; E741-R745 IonicContact OE1-NE 2.65Å; E741-R745 PolarHBondContact OE1-NE 3.23Å; E741-R745 IonicContact OE1-NH2 2.68Å; E741-R745 PolarHBondContact OE1-NH2 3.31Å; K742-R745 PolarHBondContact O-N 2.96Å; R745-N747 VanDerWaalsContact C-N 3.33Å; R745-S748 WeakPolarHBondContact CA-OG 3.28Å; R745-S748 PolarHBondContact O-OG 3.44Å
746	M	51.9	Low	47.4	Very low	46 Å²	46	93.2 Å²	93.2	23%	0.227	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.7	172.5	-80	177.3	162.7	0	0	114.9	E697 L701 K742 K744	E697-M746 HydrophobicContact CB-CE 3.54Å; E697-M746 HydrophobicContact CG-CE 4.32Å; E697-M746 WeakPolarHBondContact OE2-CE 3.47Å; L701-M746 HydrophobicContact CD1-CE 3.76Å; L701-M746 HydrophobicContact CD1-SD 3.53Å; L701-M746 VanDerWaalsContact CD1-SD 3.53Å; K742-M746 HydrophobicContact CD-CE 4.48Å; K742-M746 HydrophobicContact CG-CE 4.3Å; K742-M746 HydrophobicContact CG-SD 4.36Å; K742-M746 WeakPolarHBondContact O-CB 3.38Å; K742-M746 VanDerWaalsContact O-CG 3.32Å; K742-M746 WeakPolarHBondContact O-CG 3.46Å; K742-M746 PolarHBondContact O-N 3.39Å; K744-M746 VanDerWaalsContact C-N 3.3Å; K744-M746 PolarHBondContact O-N 3.43Å
747	N	55.8	Low	46.6	Very low	110 Å²	110	96.9 Å²	96.9	59%	0.588	51%	0.505	S	S	*	.	S	Bend	trans	-110.1	2.4	179	-65.3	-61.4	0	0	0	112.6	F743 K744 R745	F743-N747 PolarHBondContact O-N 2.95Å; F743-N747 PolarHBondContact O-ND2 3.21Å; K744-N747 PolarHBondContact O-N 3.47Å; R745-N747 VanDerWaalsContact C-N 3.33Å
748	S	52	Low	45.5	Very low	60 Å²	60	95.9 Å²	95.9	42%	0.42	50%	0.496	S	S	.	.	S	Bend	trans	-86.1	135.2	169.7	44.8	0	0	0	0	111.4	K744 R745 D750	K744-S748 PolarHBondContact O-N 3.42Å; R745-S748 WeakPolarHBondContact CA-OG 3.28Å; R745-S748 PolarHBondContact O-OG 3.44Å; S748-D750 PolarHBondContact O-N 2.93Å
749	S	45.3	Very low	44.5	Very low	120 Å²	120	101.7 Å²	101.7	84%	0.839	51%	0.51	S	S	*	.			trans	-83	51.9	179.6	60.4	0	0	0	0	112.7
750	D	43.4	Very low	43.6	Very low	115 Å²	115	105.5 Å²	105.5	62%	0.615	53%	0.53	S	S	*	.			trans	-102.3	102.3	179.6	-103.9	-50.3	0	0	0	110.5	S748 N752	S748-D750 PolarHBondContact O-N 2.93Å; D750-N752 PolarHBondContact O-N 2.71Å
751	D	41.5	Very low	42.3	Very low	167 Å²	167	110.6 Å²	110.6	89%	0.893	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	6	-176.6	-61.9	-45.2	0	0	0	114.3
752	N	40.8	Very low	41	Very low	152 Å²	152	111.8 Å²	111.8	81%	0.813	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	11.2	-178.3	-83.8	-59.7	0	0	0	114.5	D750 N754	D750-N752 PolarHBondContact O-N 2.71Å; N752-N754 PolarHBondContact O-N 2.95Å
753	Y	39.9	Very low	39.9	Very low	120 Å²	120	113.1 Å²	113.1	47%	0.471	57%	0.567	S	S	.	*			trans	-75.7	92	-177	-166.6	-92	0	0	0	113	F755	Y753-F755 AromaticContact CD1-CD2 3.77Å; Y753-F755 HydrophobicContact CD1-CD2 3.77Å; Y753-F755 AromaticContact CD1-CE2 3.87Å; Y753-F755 HydrophobicContact CD1-CE2 3.87Å; Y753-F755 HydrophobicContact CE1-CD2 4.01Å; Y753-F755 HydrophobicContact CE1-CE2 4.01Å
754	N	37.6	Very low	38.6	Very low	126 Å²	126	117.7 Å²	117.7	67%	0.674	58%	0.584	S	S	*	*			trans	-75.7	122.8	178.3	-168.8	-22.5	0	0	0	111.8	N752 N756	N752-N754 PolarHBondContact O-N 2.95Å; N754-N756 PolarHBondContact O-N 2.91Å
755	F	36	Very low	36.9	Very low	92 Å²	92	116 Å²	116	40%	0.404	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-81.8	-8.8	-159.8	-122.6	-96.1	0	0	0	116.5	E697 Y753 H757 T758	E697-F755 WeakPolarHBondContact OE2-CZ 3.28Å; Y753-F755 AromaticContact CD1-CD2 3.77Å; Y753-F755 HydrophobicContact CD1-CD2 3.77Å; Y753-F755 AromaticContact CD1-CE2 3.87Å; Y753-F755 HydrophobicContact CD1-CE2 3.87Å; Y753-F755 HydrophobicContact CE1-CD2 4.01Å; Y753-F755 HydrophobicContact CE1-CE2 4.01Å; F755-H757 VanDerWaalsContact C-N 3.33Å; F755-H757 PolarHBondContact O-N 3.11Å; F755-T758 PolarHBondContact O-OG1 2.96Å
756	N	32.5	Very low	35.6	Very low	141 Å²	141	117.8 Å²	117.8	75%	0.754	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-74	-10.3	-166.1	-76	-17.9	0	0	0	116.2	N754 T758	N754-N756 PolarHBondContact O-N 2.91Å; N756-T758 VanDerWaalsContact C-N 3.31Å; N756-T758 PolarHBondContact O-N 3Å
757	H	32.7	Very low	34.4	Very low	132 Å²	132	118.6 Å²	118.6	61%	0.611	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-81.3	-1.1	179.5	-95.1	-51.4	0	0	0	115.1	F755 R759 D760	F755-H757 VanDerWaalsContact C-N 3.33Å; F755-H757 PolarHBondContact O-N 3.11Å; H757-R759 PolarHBondContact O-N 3.01Å; H757-R759 VanDerWaalsContact O-N 3.17Å; H757-D760 IonicContact CE1-OD2 3.23Å; H757-D760 IonicContact CG-OD2 3.71Å; H757-D760 IonicContact ND1-OD2 2.74Å; H757-D760 PolarHBondContact ND1-OD2 2.82Å; H757-D760 PolarHBondContact O-N 3Å; H757-D760 VanDerWaalsContact O-N 3.14Å
758	T	27.7	Very low	32.9	Very low	49 Å²	49	119.2 Å²	119.2	30%	0.301	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-64.6	-22.8	-175.1	-49.2	0	0	0	0	113.2	F755 N756	F755-T758 PolarHBondContact O-OG1 2.96Å; N756-T758 VanDerWaalsContact C-N 3.31Å; N756-T758 PolarHBondContact O-N 3Å
759	R	26.4	Very low	31.6	Very low	179 Å²	179	122 Å²	122	68%	0.675	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-72.5	-26	176.8	-172.4	168	174.1	152.4	-4.1	113.5	H757	H757-R759 PolarHBondContact O-N 3.01Å; H757-R759 VanDerWaalsContact O-N 3.17Å
760	D	27.7	Very low	30.7	Very low	94 Å²	94	121.5 Å²	121.5	50%	0.503	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-28.8	-176.6	-52.6	-43.7	0	0	0	112.2	H757 S763	H757-D760 IonicContact CE1-OD2 3.23Å; H757-D760 IonicContact CG-OD2 3.71Å; H757-D760 IonicContact ND1-OD2 2.74Å; H757-D760 PolarHBondContact ND1-OD2 2.82Å; H757-D760 PolarHBondContact O-N 3Å; H757-D760 VanDerWaalsContact O-N 3.14Å; D760-S763 PolarHBondContact O-N 3.42Å
761	Y	26.7	Very low	29.8	Very low	162 Å²	162	119.5 Å²	119.5	64%	0.635	58%	0.576	S	S	*	*	S	Bend	trans	-84.1	-8.1	-172.8	-90.8	-86.6	0	0	0	115.8
762	L	26	Very low	29	Very low	113 Å²	113	115.8 Å²	115.8	59%	0.592	56%	0.556	S	S	*	*	S	Bend	trans	-111	-2.7	169.4	-68.5	174.7	0	0	0	112.8	L624 Y764	L624-L762 HydrophobicContact CD2-CB 4.43Å; L762-Y764 PolarHBondContact O-N 3.09Å
763	S	27.1	Very low	28.3	Very low	88 Å²	88	116 Å²	116	62%	0.615	55%	0.552	S	S	*	*			trans	-76.1	69.1	163	-177.3	0	0	0	0	109.4	D760 D765	D760-S763 PolarHBondContact O-N 3.42Å; S763-D765 PolarHBondContact O-N 3.31Å
764	Y	26.5	Very low	27.7	Very low	148 Å²	148	118.5 Å²	118.5	58%	0.58	57%	0.573	S	S	*	*			trans	-72.4	82.7	177.7	-110.7	-80.6	0	0	0	111.2	L762	L762-Y764 PolarHBondContact O-N 3.09Å
765	D	24.3	Very low	27.2	Very low	108 Å²	108	119.9 Å²	119.9	58%	0.578	58%	0.581	S	S	*	*			trans	-45.9	134.1	166.9	-179.6	25.2	0	0	0	111.3	S763 S767	S763-D765 PolarHBondContact O-N 3.31Å; D765-S767 VanDerWaalsContact CG-OG 3.22Å; D765-S767 PolarHBondContact O-N 2.94Å; D765-S767 WeakPolarHBondContact OD2-CB 3.28Å; D765-S767 PolarHBondContact OD2-OG 3.24Å
766	F	25.8	Very low	26.7	Very low	151 Å²	151	121.3 Å²	121.3	66%	0.662	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-73.3	12.6	-176.2	-93	-88.6	0	0	0	113.5	L617 W768	L617-F766 HydrophobicContact CD2-CE2 4.43Å; L617-F766 HydrophobicContact CD2-CZ 3.86Å; F766-W768 PolarHBondContact O-N 3.23Å
767	S	25.8	Very low	26.3	Very low	63 Å²	63	117.6 Å²	117.6	44%	0.441	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-76.9	-12.5	-172.2	59	0	0	0	0	115.4	D765	D765-S767 VanDerWaalsContact CG-OG 3.22Å; D765-S767 PolarHBondContact O-N 2.94Å; D765-S767 WeakPolarHBondContact OD2-CB 3.28Å; D765-S767 PolarHBondContact OD2-OG 3.24Å
768	W	24.5	Very low	25.9	Very low	124 Å²	124	119 Å²	119	47%	0.47	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-91.5	0.7	-169.3	-133.3	49.2	0	0	0	117.7	E734 F766 K770 H771 N772	E734-W768 HydrophobicContact CG-CZ3 4.42Å; E734-W768 VanDerWaalsContact OE1-CZ3 3.29Å; E734-W768 WeakPolarHBondContact OE1-CZ3 3.21Å; F766-W768 PolarHBondContact O-N 3.23Å; W768-K770 PolarHBondContact O-N 3.21Å; W768-H771 PolarHBondContact O-N 3.42Å; W768-N772 HydrophobicContact CH2-CB 4.46Å; W768-N772 WeakPolarHBondContact CH2-ND2 3.31Å; W768-N772 HydrophobicContact CZ3-CB 4.44Å; W768-N772 VanDerWaalsContact CZ3-ND2 3.33Å; W768-N772 WeakPolarHBondContact CZ3-ND2 3.43Å
769	I	25.7	Very low	25.7	Very low	118 Å²	118	123.8 Å²	123.8	61%	0.605	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-66	-8.2	174.5	-71.2	178	0	0	0	113.1
770	K	26.4	Very low	25.6	Very low	110 Å²	110	124.3 Å²	124.3	48%	0.478	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-99	-8.8	179.9	-89.7	169.4	176.2	157.7	0	116.4	D115 W768	D115-K770 IonicContact OD2-NZ 2.6Å; D115-K770 PolarHBondContact OD2-NZ 2.7Å; W768-K770 PolarHBondContact O-N 3.21Å
771	H	24.2	Very low	25.5	Very low	72 Å²	72	129.8 Å²	129.8	33%	0.333	66%	0.662	S	S	.	*	S	Bend	trans	-138.1	46.5	-165	-91.5	-70.6	0	0	0	116.8	W768	W768-H771 PolarHBondContact O-N 3.42Å
772	N	24.8	Very low	25.3	Very low	89 Å²	89	126.9 Å²	126.9	48%	0.476	67%	0.671	S	S	.	*			trans	-151.4	87.5	166.7	-134.7	3	0	0	0	114.4	E734 W768	E734-N772 PolarHBondContact OE1-ND2 2.77Å; W768-N772 HydrophobicContact CH2-CB 4.46Å; W768-N772 WeakPolarHBondContact CH2-ND2 3.31Å; W768-N772 HydrophobicContact CZ3-CB 4.44Å; W768-N772 VanDerWaalsContact CZ3-ND2 3.33Å; W768-N772 WeakPolarHBondContact CZ3-ND2 3.43Å
773	H	27.1	Very low	25.1	Very low	158 Å²	158	133.1 Å²	133.1	73%	0.731	69%	0.687	S	S	*	*			trans	-180	85.2	155.1	-99.7	-56.6	0	0	0	111
774	N	25.5	Very low	24.9	Very low	171 Å²	171	135 Å²	135	91%	0.914	69%	0.69	S	S	*	*			trans	-161	68.6	171.3	-121.2	-12.1	0	0	0	111.5
775	D	26.8	Very low	24.7	Very low	156 Å²	156	133.3 Å²	133.3	83%	0.834	69%	0.691	S	S	*	*			trans	-158.8	137.4	155.2	-135.6	-25	0	0	0	113
776	S	27.1	Very low	24.7	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	69%	0.694	S	S	*	*			trans	54.9	156.1	-175	73.9	0	0	0	0	116.6
777	G	23.2	Very low	24.6	Very low	63 Å²	63	135.1 Å²	135.1	65%	0.649	70%	0.7	S	S	*	*			cis	155.8	101.5	-5.7	0	0	0	0	0	111.3
778	N	24	Very low	24.5	Very low	162 Å²	162	136.7 Å²	136.7	87%	0.866	71%	0.711	S	S	*	*			trans	71.1	168.2	177	-59.6	-23.3	0	0	0	118.4
779	D	24.8	Very low	24.7	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	72%	0.722	S	S	*	*			trans	66.5	93.4	163.7	-65	-0.3	0	0	0	121.2	K781	D779-K781 PolarHBondContact O-N 3.1Å; D779-K781 VanDerWaalsContact O-N 3.17Å
780	H	24.3	Very low	24.7	Very low	190 Å²	190	137.1 Å²	137.1	88%	0.88	73%	0.729	S	S	*	*			trans	-37.2	108.4	156.4	-60.9	-94.5	0	0	0	114.7
781	K	24.1	Very low	24.7	Very low	209 Å²	209	139 Å²	139	91%	0.909	74%	0.743	S	S	*	*			trans	-163.9	-15.5	149.2	-111	146.2	-169.8	171.5	0	118.4	D779	D779-K781 PolarHBondContact O-N 3.1Å; D779-K781 VanDerWaalsContact O-N 3.17Å
782	A	23.3	Very low	24.6	Very low	101 Å²	101	143.1 Å²	143.1	84%	0.835	77%	0.767	S	S	*	*			trans	-98.3	14.6	-172.7	0	0	0	0	0	116.1	N784	A782-N784 PolarHBondContact O-N 3.11Å
783	W	21.7	Very low	24.5	Very low	245 Å²	245	143.9 Å²	143.9	93%	0.928	78%	0.779	S	S	*	*			trans	-88.8	21.1	-161.2	-120.8	73	0	0	0	117.1
784	N	22.9	Very low	24.2	Very low	126 Å²	126	141.3 Å²	141.3	67%	0.674	78%	0.78	S	S	*	*			trans	-147.1	94	-178.9	-82.1	-55.2	0	0	0	112.6	A782	A782-N784 PolarHBondContact O-N 3.11Å
785	L	23.3	Very low	23.9	Very low	114 Å²	114	138 Å²	138	60%	0.597	77%	0.77	S	S	*	*	S	Bend	trans	-155.2	-8.1	161.9	-117.4	166.6	0	0	0	116.8	K722	K722-L785 HydrophobicContact CD-CD2 3.78Å; K722-L785 HydrophobicContact CG-CD2 3.98Å
786	F	22.9	Very low	23.5	Very low	148 Å²	148	138.8 Å²	138.8	65%	0.649	77%	0.77	S	S	*	*	S	Bend	trans	-130.7	19.4	174.3	-104.8	-80.2	0	0	0	114.9	N725	N725-F786 WeakPolarHBondContact OD1-CE2 3.33Å
787	N	23.3	Very low	23.2	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	76%	0.76	S	S	*	*			trans	-150.2	162.9	168	-92.4	-60.6	0	0	0	109.6
788	S	25.1	Very low	23	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	77%	0.768	S	S	*	*			trans	80.2	153.7	172.7	-142	0	0	0	0	116.6
789	P	28.2	Very low	22.9	Very low	107 Å²	107	141 Å²	141	70%	0.695	76%	0.756	S	S	*	*				-142.3	159.8	-50.3	39	-25	0	0	0	115.7
790	L	24.7	Very low	22.7	Very low	143 Å²	143	140.6 Å²	140.6	75%	0.749	75%	0.753	S	S	*	*	S	Bend	trans	-160.5	134	152.6	-79.6	-169.7	0	0	0	107.4
791	I	26.8	Very low	22.5	Very low	150 Å²	150	141.1 Å²	141.1	77%	0.769	75%	0.747	S	S	*	*			cis	-131.8	160.7	-17.9	-74.3	176.7	0	0	0	106.6
792	N	22.7	Very low	22.5	Very low	159 Å²	159	136.4 Å²	136.4	85%	0.85	73%	0.732	S	S	*	*			trans	-127	120.3	-176.5	-157.6	14.8	0	0	0	111.5
793	S	22.6	Very low	22.5	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	72%	0.721	S	S	*	*			trans	-169.9	106.3	160.4	48.5	0	0	0	0	115.8
794	S	20.5	Very low	22.7	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	71%	0.711	S	S	*	*			trans	1.6	138	144.7	54.5	0	0	0	0	123.5
795	S	20.1	Very low	22.8	Very low	102 Å²	102	134 Å²	134	71%	0.713	71%	0.709	S	S	*	*			trans	86	141	130.5	73.3	0	0	0	0	122.7
796	M	18.9	Very low	23	Very low	171 Å²	171	135.7 Å²	135.7	84%	0.842	71%	0.714	S	S	*	*			trans	65.6	151.1	162.4	-68.9	-171	172.7	0	0	117.7
797	L	19.3	Very low	23.1	Very low	120 Å²	120	135.1 Å²	135.1	63%	0.628	71%	0.713	S	S	*	*			cis	-167.1	159.2	-25.6	-117.8	172.6	0	0	0	107.5
798	F	20.3	Very low	23.2	Very low	184 Å²	184	135.4 Å²	135.4	81%	0.807	71%	0.709	S	S	*	*			trans	63.7	156	166.3	-69.4	-59	0	0	0	117.7
799	S	20.8	Very low	23.2	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	71%	0.708	S	S	*	*			cis	-165.8	164.9	-26.8	-150.4	0	0	0	0	110.8
800	L	20.7	Very low	23.2	Very low	141 Å²	141	139.6 Å²	139.6	74%	0.738	71%	0.708	S	S	*	*			trans	67	127.2	159.6	-63.5	165.7	0	0	0	116.7
801	R	21.1	Very low	23.2	Very low	201 Å²	201	139.5 Å²	139.5	76%	0.758	70%	0.704	S	S	*	*				72	143.4	73.9	-71.6	-177.3	87.7	172.6	-3.6	113.2
802	D	23.2	Very low	23.1	Very low	110 Å²	110	141.5 Å²	141.5	59%	0.588	70%	0.703	S	S	*	*			cis	-146.5	-175.2	12.4	-126.3	-19.9	0	0	0	114.8
803	Q	23.5	Very low	23.2	Very low	131 Å²	131	142.3 Å²	142.3	61%	0.612	70%	0.701	S	S	*	*			trans	-66.3	162.1	-173.4	-55.6	168.2	-10.9	0	0	116.6
804	H	26.3	Very low	23.2	Very low	155 Å²	155	144.8 Å²	144.8	72%	0.718	70%	0.701	S	S	*	*				175.5	132.6	110.9	-88.6	-62.2	0	0	0	109.9
805	H	25.1	Very low	23.5	Very low	134 Å²	134	148.1 Å²	148.1	62%	0.62	70%	0.704	S	S	*	*				56.5	134.4	81.8	-76.8	-101.3	0	0	0	113.2
806	H	26.2	Very low	23.6	Very low	151 Å²	151	150.4 Å²	150.4	70%	0.699	70%	0.703	S	S	*	*			cis	-157.6	176.7	17.8	-101.3	-64.2	0	0	0	107.2
807	H	24.9	Very low	23.8	Very low	136 Å²	136	149.9 Å²	149.9	63%	0.63	70%	0.699	S	S	*	*			cis	163.8	173.7	-11.6	-157.3	34.1	0	0	0	106.3
808	H	27.3	Very low	23.8	Very low	154 Å²	154	154 Å²	154	71%	0.713	71%	0.707	S	S	*	*			trans	68.7	158.3	169.5	-59.5	-67.2	0	0	0	120.5
809	H	24.5	Very low	23.9	Very low	140 Å²	140	155 Å²	155	65%	0.648	71%	0.707	S	S	*	*			cis	-170.8	175.1	-45.3	-130	-102.9	0	0	0	110.7
810	H	28.6	Very low	23.9	Very low	152 Å²	152	161.9 Å²	161.9	70%	0.704	72%	0.721	S	S	*	*			trans	72.7	158.3	168.1	-52.7	-63.4	0	0	0	118.1
811	H	24.5	Very low	23.9	Very low	141 Å²	141	162.1 Å²	162.1	65%	0.653	72%	0.722	S	S	*	*			cis	-160.3	175.8	-37.6	-109.2	-27.3	0	0	0	111.3
812	Y	23.3	Very low	23.9	Very low	191 Å²	191	161.5 Å²	161.5	75%	0.749	73%	0.728	S	S	*	*			trans	-19.1	143.6	167.8	-62.1	-85.7	0	0	0	117.8
813	H	26.5	Very low	23.8	Very low	176 Å²	176	161.6 Å²	161.6	82%	0.815	74%	0.736	S	S	*	*				-158.3	157	66.6	-109.1	-94.2	0	0	0	115.6
814	H	22.1	Very low	23.7	Very low	157 Å²	157	161.7 Å²	161.7	73%	0.727	74%	0.74	S	S	*	*			trans	-82.4	144.5	163.9	-88.5	-85.1	0	0	0	111.7
815	H	25.8	Very low	23.5	Very low	174 Å²	174	160.7 Å²	160.7	81%	0.806	75%	0.748	S	S	*	*			trans	-148.2	135.3	143.9	-104.8	-83.7	0	0	0	110.5
816	H	21.8	Very low	23.4	Very low	150 Å²	150	161.2 Å²	161.2	69%	0.694	75%	0.753	S	S	*	*			trans	-94.3	137.9	170	-85.8	-86.3	0	0	0	110.1
817	H	23.9	Very low	23.3	Very low	161 Å²	161	162 Å²	162	75%	0.745	76%	0.761	S	S	*	*			trans	-135.7	135	154.3	-94.9	-94.6	0	0	0	109.7
818	Y	20.5	Very low	23.3	Very low	206 Å²	206	161 Å²	161	81%	0.808	77%	0.769	S	S	*	*			trans	-89.6	134.6	172.7	-83.5	-101.4	0	0	0	109.7
819	Y	22.3	Very low	23.1	Very low	206 Å²	206	161.3 Å²	161.3	81%	0.808	78%	0.776	S	S	*	*			trans	-138.3	134.4	157.6	-84.4	-78.8	0	0	0	110.5
820	Y	19.1	Very low	23.2	Very low	232 Å²	232	162.1 Å²	162.1	91%	0.91	78%	0.78	S	S	*	*			trans	-80.2	129.6	167.9	-102.3	-105.8	0	0	0	108.9
821	I	21.4	Very low	22.9	Very low	147 Å²	147	161.1 Å²	161.1	75%	0.754	79%	0.785	S	S	*	*			trans	-135.2	130.6	160.9	-60.7	-177	0	0	0	108.6
822	Q	20.3	Very low	22.8	Very low	188 Å²	188	161.2 Å²	161.2	88%	0.879	79%	0.789	S	S	*	*			trans	-104.8	114.3	174.5	170.2	-172	-10.3	0	0	107.8
823	C	21.1	Very low	22.8	Very low	112 Å²	112	158.2 Å²	158.2	76%	0.757	79%	0.79	S	S	*	*			trans	-142	152.2	175.8	-79.9	0	0	0	0	112.2
824	N	21.7	Very low	22.6	Very low	133 Å²	133	156.3 Å²	156.3	71%	0.711	79%	0.786	S	S	*	*			trans	-76.8	158.3	-176.5	-62.8	-31.7	0	0	0	112.8	I826	N824-I826 PolarHBondContact O-N 2.65Å
825	P	22.9	Very low	22.7	Very low	134 Å²	134	158.7 Å²	158.7	87%	0.87	79%	0.794	S	S	*	*			trans	-69.7	99.2	168.3	29.7	-33.9	0	0	0	110.4
826	I	23.1	Very low	22.5	Very low	145 Å²	145	159.8 Å²	159.8	74%	0.744	80%	0.797	S	S	*	*			trans	-105.8	120.6	171.2	-63.3	-178.8	0	0	0	109.7	N824	N824-I826 PolarHBondContact O-N 2.65Å
827	I	23.4	Very low	22.6	Very low	168 Å²	168	158 Å²	158	86%	0.862	80%	0.798	S	S	*	*			trans	-33.8	128.8	167.1	-57.5	156.9	0	0	0	112.1
828	S	24.4	Very low	22.6	Very low	113 Å²	113	160.5 Å²	160.5	79%	0.79	81%	0.808	S	S	*	*			trans	-140.9	115.3	168.2	62	0	0	0	0	112.3
829	N	23.4	Very low	22.8	Very low	162 Å²	162	157.2 Å²	157.2	87%	0.866	80%	0.804	S	S	*	*			trans	-157.7	66.6	161.4	-150.9	0.1	0	0	0	110.8
830	Q	26.3	Very low	22.9	Very low	157 Å²	157	154.3 Å²	154.3	73%	0.734	80%	0.802	S	S	*	*			trans	-137.7	110.5	171.3	-75.9	-160.2	-9.2	0	0	112.9
831	T	23.7	Very low	23.1	Very low	130 Å²	130	148.2 Å²	148.2	80%	0.798	79%	0.794	S	S	*	*			trans	36.1	123	136.1	-32.9	0	0	0	0	120.5
832	I	22	Very low	23.2	Very low	144 Å²	144	145.9 Å²	145.9	74%	0.738	79%	0.79	S	S	*	*			trans	-63.5	135.3	169.5	-60.4	160.2	0	0	0	111.6
833	V	23.9	Very low	23.4	Very low	127 Å²	127	146 Å²	146	77%	0.77	79%	0.788	S	S	*	*			trans	-131.6	118.7	156	-178.8	0	0	0	0	108.7
834	N	22.1	Very low	23.6	Very low	137 Å²	137	146.7 Å²	146.7	73%	0.733	78%	0.784	S	S	*	*			trans	-81	131	177.8	-77.5	-51	0	0	0	111.5
835	F	23.4	Very low	23.8	Very low	206 Å²	206	147.7 Å²	147.7	90%	0.904	79%	0.785	S	S	*	*			trans	-143.5	158.6	148.1	-94.6	-71.2	0	0	0	111.6
836	K	21.9	Very low	23.9	Very low	198 Å²	198	148.5 Å²	148.5	86%	0.861	78%	0.776	S	S	*	*			trans	-82.9	155.7	-162.9	-79.9	-176.7	176.3	178.4	0	114
837	P	23.9	Very low	24.2	Very low	111 Å²	111	148.2 Å²	148.2	72%	0.721	78%	0.777	S	S	*	*			trans	-79.1	155.6	-177.9	33.5	-37.2	0	0	0	113.1
838	F	24.6	Very low	24.2	Very low	215 Å²	215	144.3 Å²	144.3	94%	0.943	76%	0.763	S	S	*	*			trans	-143.7	157.4	154.5	-119.7	-86.5	0	0	0	111
839	N	23.8	Very low	24.2	Very low	137 Å²	137	149.8 Å²	149.8	73%	0.733	77%	0.766	S	S	*	*			trans	-96.6	156.9	-162.8	-81.8	-21.6	0	0	0	115.2
840	N	24.3	Very low	24.4	Very low	144 Å²	144	150.9 Å²	150.9	77%	0.77	77%	0.766	S	S	*	*			trans	80.3	148.5	145	-72.8	-8.4	0	0	0	122.4
841	S	24.2	Very low	24.5	Very low	105 Å²	105	148.3 Å²	148.3	73%	0.734	77%	0.766	S	S	*	*			trans	79.4	109.7	145.1	42.6	0	0	0	0	121.4
842	S	24.1	Very low	24.5	Very low	97 Å²	97	150.2 Å²	150.2	68%	0.678	76%	0.763	S	S	*	*				75.7	106.2	125.3	63.1	0	0	0	0	122.4
843	F	24.1	Very low	24.8	Very low	190 Å²	190	151.7 Å²	151.7	83%	0.833	76%	0.76	S	S	*	*				79.1	131.6	122.2	-83	-69.4	0	0	0	123.3
844	N	24.9	Very low	24.9	Very low	127 Å²	127	155.3 Å²	155.3	68%	0.679	76%	0.762	S	S	*	*			trans	76.8	104.3	140.4	-76.7	-13.1	0	0	0	123.2
845	H	25.6	Very low	25.1	Very low	155 Å²	155	157.9 Å²	157.9	72%	0.718	76%	0.763	S	S	*	*				65.1	142.7	103.4	-111.4	-89.3	0	0	0	121.7
846	H	25.9	Very low	25.2	Very low	150 Å²	150	154 Å²	154	69%	0.694	75%	0.747	S	S	*	*			trans	68.6	142.3	172.8	-72.2	-80.2	0	0	0	115
847	D	27.6	Very low	25.4	Very low	140 Å²	140	152.2 Å²	152.2	75%	0.749	74%	0.742	S	S	*	*			cis	-150.3	-172.6	8.2	-99.7	-34	0	0	0	109.4
848	C	24.1	Very low	25.3	Very low	86 Å²	86	154.5 Å²	154.5	58%	0.581	75%	0.748	S	S	*	*			cis	-175.4	136.5	-48.4	-175.3	0	0	0	0	110.9
849	R	24.9	Very low	25.3	Very low	228 Å²	228	153.2 Å²	153.2	86%	0.86	75%	0.745	S	S	*	*			trans	55.7	111.7	162.1	-73	165.5	-177	174.7	1.3	120.6
850	Q	28.2	Very low	25.4	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.864	75%	0.745	S	S	*	*				-176.4	167.1	106	-99.2	-173.4	103.4	0	0	109.1
851	S	27.5	Very low	25.2	Very low	103 Å²	103	151.1 Å²	151.1	72%	0.72	74%	0.743	S	S	*	*			cis	-166.5	-179.1	-13	47.1	0	0	0	0	107.2
852	K	24.5	Very low	25.2	Very low	169 Å²	169	153.4 Å²	153.4	74%	0.735	75%	0.745	S	S	*	*				-156.5	150.1	-57.7	-173.4	-177.9	-176.5	-172.7	0	106.6
853	Y	27.3	Very low	25.1	Very low	175 Å²	175	157 Å²	157	69%	0.686	75%	0.753	S	S	*	*			trans	75.3	138	-174.3	-62.9	-79.1	0	0	0	115.6
854	Y	27.1	Very low	25	Very low	204 Å²	204	155.3 Å²	155.3	80%	0.8	75%	0.753	S	S	*	*			cis	-121.3	137.7	-12.9	-89.5	-91.3	0	0	0	106.8
855	Y	25.3	Very low	24.8	Very low	191 Å²	191	157.7 Å²	157.7	75%	0.749	76%	0.762	S	S	*	*			cis	69	129.2	40.5	-119.4	-126.7	0	0	0	113.3
856	Q	25.8	Very low	24.7	Very low	125 Å²	125	154.9 Å²	154.9	58%	0.584	76%	0.76	S	S	*	*			cis	-157.4	165.1	3.3	-141.6	-163.8	17.8	0	0	107.2
857	Q	26.2	Very low	24.7	Very low	160 Å²	160	154.9 Å²	154.9	75%	0.748	77%	0.765	S	S	*	*			cis	-141.7	153.3	7.4	-73.7	174.9	11.5	0	0	110.6
858	N	22.4	Very low	24.5	Very low	158 Å²	158	155.8 Å²	155.8	85%	0.845	77%	0.768	S	S	*	*			trans	-165.1	104.9	145.4	-154.8	-7.7	0	0	0	111
859	Q	24.2	Very low	24.4	Very low	189 Å²	189	156.2 Å²	156.2	88%	0.883	77%	0.772	S	S	*	*			trans	-174.4	155.3	159.7	-112.5	164.6	28.8	0	0	114.5
860	T	24.8	Very low	24.5	Very low	119 Å²	119	155.5 Å²	155.5	73%	0.73	78%	0.775	S	S	*	*			trans	-64.4	168.8	168.2	51.1	0	0	0	0	111.3
861	T	21.7	Very low	24.2	Very low	118 Å²	118	155.8 Å²	155.8	72%	0.724	77%	0.774	S	S	*	*				179	166.4	62.3	-38.7	0	0	0	0	110.9
862	I	22.3	Very low	24	Very low	153 Å²	153	159 Å²	159	79%	0.785	78%	0.775	S	S	*	*			trans	83.4	144.4	164.7	-53.1	-175.1	0	0	0	116.8
863	M	22.1	Very low	23.9	Very low	171 Å²	171	159.5 Å²	159.5	84%	0.842	77%	0.774	S	S	*	*			trans	-72.2	148.5	-171.3	-58.7	162.1	-77.6	0	0	114.2
864	D	21.9	Very low	23.7	Very low	156 Å²	156	158 Å²	158	83%	0.834	78%	0.776	S	S	*	*			trans	-140.8	156.3	131.9	-162.2	1.7	0	0	0	109.2
865	M	22.4	Very low	23.6	Very low	176 Å²	176	155.4 Å²	155.4	87%	0.867	78%	0.776	S	S	*	*			trans	-115	95.8	-171.7	-76.3	-130.5	-61.5	0	0	112.9
866	S	23.1	Very low	23.5	Very low	97 Å²	97	154.7 Å²	154.7	68%	0.678	78%	0.777	S	S	*	*			trans	-157.1	165.6	161	58	0	0	0	0	113.3
867	N	25.3	Very low	23.5	Very low	149 Å²	149	153 Å²	153	80%	0.797	78%	0.777	S	S	*	*			trans	65.9	52.2	167.1	-59.2	-30.9	0	0	0	117.8	S869	N867-S869 PolarHBondContact O-N 3.35Å
868	I	22.8	Very low	23.5	Very low	159 Å²	159	152 Å²	152	82%	0.815	78%	0.776	S	S	*	*			trans	-48.9	115.5	145.1	-62.7	158.1	0	0	0	109.6
869	S	23.8	Very low	23.7	Very low	96 Å²	96	147.6 Å²	147.6	67%	0.671	76%	0.757	S	S	*	*			trans	178.4	69.7	152.7	43.2	0	0	0	0	115.2	N867	N867-S869 PolarHBondContact O-N 3.35Å
870	K	25.5	Very low	23.9	Very low	213 Å²	213	148.6 Å²	148.6	93%	0.926	75%	0.753	S	S	*	*			trans	-170.5	69.6	150.8	-103.2	145.3	-169.1	174.9	0	112.1
871	F	22.5	Very low	24.1	Very low	191 Å²	191	148.9 Å²	148.9	84%	0.838	75%	0.749	S	S	*	*			trans	-80.1	138.4	170.1	-109.6	-92.7	0	0	0	111.2
872	K	22.3	Very low	24.4	Very low	170 Å²	170	147.1 Å²	147.1	74%	0.739	74%	0.738	S	S	*	*			trans	-161	129.5	134.1	-115.8	175.9	176.3	-179.5	0	112.4
873	Y	24.2	Very low	24.8	Very low	180 Å²	180	146.4 Å²	146.4	71%	0.706	73%	0.731	S	S	*	*			trans	57.5	84.7	167.6	-54	-65.4	0	0	0	119.1
874	I	22.8	Very low	25.2	Very low	144 Å²	144	147.8 Å²	147.8	74%	0.738	73%	0.727	S	S	*	*			trans	-109.9	124.6	135.6	-65	175.3	0	0	0	106.6	F876	I874-F876 HydrophobicContact CG2-CD2 3.94Å; I874-F876 HydrophobicContact CG2-CE2 4.16Å
875	N	24.7	Very low	25.6	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	71%	0.713	S	S	*	*			trans	-123.8	112.8	172	-117.9	-8.3	0	0	0	108.4	P877	N875-P877 WeakPolarHBondContact O-CD 3.32Å
876	F	22.2	Very low	26.1	Very low	176 Å²	176	141.6 Å²	141.6	77%	0.772	70%	0.697	S	S	*	*			trans	-81.9	122	177.7	-100.4	-97.1	0	0	0	110.7	I874	I874-F876 HydrophobicContact CG2-CD2 3.94Å; I874-F876 HydrophobicContact CG2-CE2 4.16Å
877	P	26.2	Very low	26.7	Very low	90 Å²	90	142 Å²	142	58%	0.584	69%	0.686	S	S	*	*			trans	-84	135.5	168.5	-6.2	25.2	0	0	0	110.8	N875 S879	N875-P877 WeakPolarHBondContact O-CD 3.32Å; P877-S879 PolarHBondContact O-N 2.93Å
878	L	26	Very low	27.2	Very low	140 Å²	140	139.9 Å²	139.9	73%	0.733	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	2.9	174.6	-77.9	77.7	0	0	0	113.8	R880 I881	L878-R880 PolarHBondContact O-N 3.38Å; L878-R880 VanDerWaalsContact O-N 3.13Å; L878-I881 PolarHBondContact O-N 3.24Å; L878-I881 VanDerWaalsContact O-N 3.15Å
879	S	27.1	Very low	27.7	Very low	64 Å²	64	140 Å²	140	45%	0.448	67%	0.668	S	S	.	*	H	α-helix	trans	-55.5	-32.7	-174.2	59.2	0	0	0	0	114.1	P877 I881 V882 H883	P877-S879 PolarHBondContact O-N 2.93Å; S879-I881 PolarHBondContact O-N 2.79Å; S879-V882 PolarHBondContact O-N 3.32Å; S879-H883 PolarHBondContact O-N 3.05Å
880	R	27.9	Very low	28.6	Very low	211 Å²	211	139.1 Å²	139.1	80%	0.796	66%	0.66	S	S	*	*	H	α-helix	trans	-63.1	-22.1	-179.6	-74.4	-175.1	173.2	173.7	0.2	114.6	L878	L878-R880 PolarHBondContact O-N 3.38Å; L878-R880 VanDerWaalsContact O-N 3.13Å
881	I	29.3	Very low	29.4	Very low	124 Å²	124	136.2 Å²	136.2	64%	0.636	64%	0.643	S	S	*	*	H	α-helix	trans	-83.2	-47.8	174.3	-62.8	177.9	0	0	0	109.7	L878 S879 H883 R884 T885	L878-I881 PolarHBondContact O-N 3.24Å; L878-I881 VanDerWaalsContact O-N 3.15Å; S879-I881 PolarHBondContact O-N 2.79Å; I881-H883 VanDerWaalsContact C-N 3.32Å; I881-H883 PolarHBondContact O-N 2.99Å; I881-R884 PolarHBondContact O-N 3.33Å; I881-T885 PolarHBondContact O-N 3.13Å; I881-T885 PolarHBondContact O-OG1 3.21Å
882	V	28.6	Very low	30.6	Very low	82 Å²	82	132.5 Å²	132.5	50%	0.497	63%	0.631	S	S	.	*	H	α-helix	trans	-57.9	-43.5	179.4	-174.8	0	0	0	0	111.6	S879 R884 T885 Q886	S879-V882 PolarHBondContact O-N 3.32Å; V882-R884 VanDerWaalsContact C-N 3.29Å; V882-R884 PolarHBondContact O-N 2.63Å; V882-T885 PolarHBondContact O-N 3.28Å; V882-T885 VanDerWaalsContact O-N 3.13Å; V882-Q886 PolarHBondContact O-N 3.41Å
883	H	31.2	Very low	32.2	Very low	137 Å²	137	129.2 Å²	129.2	63%	0.634	62%	0.621	S	S	*	*	H	α-helix	trans	-60.2	-34.3	179.7	-125.2	-80.7	0	0	0	113.4	S879 I881 F887	S879-H883 PolarHBondContact O-N 3.05Å; I881-H883 VanDerWaalsContact C-N 3.32Å; I881-H883 PolarHBondContact O-N 2.99Å; H883-F887 VanDerWaalsContact O-CB 3.31Å; H883-F887 WeakPolarHBondContact O-CB 3.43Å; H883-F887 PolarHBondContact O-N 3.39Å
884	R	29.4	Very low	33.7	Very low	201 Å²	201	124.8 Å²	124.8	76%	0.758	61%	0.61	S	S	*	*	H	α-helix	trans	-69.6	-42.2	175.7	-84	-177.2	162.8	-178.9	-5.2	111.5	I881 V882 F887 I888	I881-R884 PolarHBondContact O-N 3.33Å; V882-R884 VanDerWaalsContact C-N 3.29Å; V882-R884 PolarHBondContact O-N 2.63Å; R884-F887 PolarHBondContact O-N 3.28Å; R884-I888 WeakPolarHBondContact O-CG1 3.45Å; R884-I888 PolarHBondContact O-N 3.32Å; R884-I888 VanDerWaalsContact O-N 3.1Å
885	T	29.9	Very low	35.3	Very low	89 Å²	89	122 Å²	122	55%	0.546	60%	0.596	S	S	.	*	H	α-helix	trans	-66.5	-39.5	178.7	-41.1	0	0	0	0	111.9	I881 V882 K889	I881-T885 PolarHBondContact O-N 3.13Å; I881-T885 PolarHBondContact O-OG1 3.21Å; V882-T885 PolarHBondContact O-N 3.28Å; V882-T885 VanDerWaalsContact O-N 3.13Å; T885-K889 PolarHBondContact O-N 3.08Å; T885-K889 VanDerWaalsContact O-N 3.15Å
886	Q	33.6	Very low	37	Very low	113 Å²	113	119.6 Å²	119.6	53%	0.528	58%	0.583	S	S	.	*	H	α-helix	trans	-66.1	-44.9	172.6	-91.8	168.7	-54.3	0	0	112.2	V882 I888 K889 T890	V882-Q886 PolarHBondContact O-N 3.41Å; Q886-I888 VanDerWaalsContact C-N 3.28Å; Q886-I888 PolarHBondContact O-N 3.48Å; Q886-K889 WeakPolarHBondContact O-CB 3.44Å; Q886-K889 PolarHBondContact O-N 3.25Å; Q886-T890 PolarHBondContact O-N 3.36Å; Q886-T890 PolarHBondContact O-OG1 3.13Å; Q886-T890 VanDerWaalsContact O-OG1 3.1Å
887	F	34.4	Very low	39.2	Very low	104 Å²	104	115.1 Å²	115.1	46%	0.456	57%	0.566	S	S	.	*	H	α-helix	trans	-58.4	-39.2	178.4	-167.7	-94.5	0	0	0	112.7	S196 H883 R884 R891	S196-F887 WeakPolarHBondContact OG-CZ 3.47Å; H883-F887 VanDerWaalsContact O-CB 3.31Å; H883-F887 WeakPolarHBondContact O-CB 3.43Å; H883-F887 PolarHBondContact O-N 3.39Å; R884-F887 PolarHBondContact O-N 3.28Å; F887-R891 WeakPolarHBondContact O-CB 3.45Å; F887-R891 PolarHBondContact O-N 3.4Å
888	I	35.9	Very low	40.8	Very low	105 Å²	105	115.8 Å²	115.8	54%	0.538	57%	0.565	S	S	.	*	H	α-helix	trans	-65.3	-44.1	174	-67	165.7	0	0	0	111.1	R884 Q886 R891 L892	R884-I888 WeakPolarHBondContact O-CG1 3.45Å; R884-I888 PolarHBondContact O-N 3.32Å; R884-I888 VanDerWaalsContact O-N 3.1Å; Q886-I888 VanDerWaalsContact C-N 3.28Å; Q886-I888 PolarHBondContact O-N 3.48Å; I888-R891 PolarHBondContact O-N 3.38Å; I888-L892 HydrophobicContact CG2-CD1 3.95Å; I888-L892 WeakPolarHBondContact O-CB 3.36Å; I888-L892 WeakPolarHBondContact O-CG 3.38Å; I888-L892 PolarHBondContact O-N 3.4Å
889	K	33.7	Very low	43	Very low	161 Å²	161	117 Å²	117	70%	0.7	56%	0.56	S	S	*	*	H	α-helix	trans	-60.5	-48.3	175.6	-99.9	-171.2	172.9	-174.9	0	112.5	T885 Q886 R891 L892 L893	T885-K889 PolarHBondContact O-N 3.08Å; T885-K889 VanDerWaalsContact O-N 3.15Å; Q886-K889 WeakPolarHBondContact O-CB 3.44Å; Q886-K889 PolarHBondContact O-N 3.25Å; K889-R891 VanDerWaalsContact C-N 3.32Å; K889-R891 PolarHBondContact O-N 3.49Å; K889-L892 PolarHBondContact O-N 3.18Å; K889-L893 WeakPolarHBondContact O-CB 3.43Å; K889-L893 PolarHBondContact O-N 2.88Å
890	T	43.4	Very low	45.1	Very low	79 Å²	79	117.4 Å²	117.4	49%	0.485	56%	0.556	S	S	.	*	H	α-helix	trans	-64.6	-38.3	-179.1	-48.8	0	0	0	0	111.5	Q886 L893 N894	Q886-T890 PolarHBondContact O-N 3.36Å; Q886-T890 PolarHBondContact O-OG1 3.13Å; Q886-T890 VanDerWaalsContact O-OG1 3.1Å; T890-L893 PolarHBondContact O-N 2.97Å; T890-N894 WeakPolarHBondContact O-CB 3.32Å; T890-N894 PolarHBondContact O-N 3.11Å
891	R	42.6	Very low	47	Very low	152 Å²	152	111.9 Å²	111.9	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-64.8	-48.9	176	-172.9	169.8	-177.4	134.9	-0.7	112.1	F887 I888 K889 L893 N894 D895	F887-R891 WeakPolarHBondContact O-CB 3.45Å; F887-R891 PolarHBondContact O-N 3.4Å; I888-R891 PolarHBondContact O-N 3.38Å; K889-R891 VanDerWaalsContact C-N 3.32Å; K889-R891 PolarHBondContact O-N 3.49Å; R891-L893 VanDerWaalsContact C-N 3.27Å; R891-L893 PolarHBondContact O-N 2.94Å; R891-N894 PolarHBondContact O-N 3.14Å; R891-D895 WeakPolarHBondContact O-CB 3.46Å; R891-D895 PolarHBondContact O-N 3.09Å
892	L	46.2	Very low	48.8	Very low	113 Å²	113	111.1 Å²	111.1	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-59.5	-37.5	175.4	-73.5	169.5	0	0	0	112.4	I888 K889 L896	I888-L892 HydrophobicContact CG2-CD1 3.95Å; I888-L892 WeakPolarHBondContact O-CB 3.36Å; I888-L892 WeakPolarHBondContact O-CG 3.38Å; I888-L892 PolarHBondContact O-N 3.4Å; K889-L892 PolarHBondContact O-N 3.18Å; L892-L896 VanDerWaalsContact O-CB 3.3Å; L892-L896 WeakPolarHBondContact O-CB 3.41Å; L892-L896 PolarHBondContact O-N 3.42Å
893	L	57.6	Low	50.6	Low	101 Å²	101	112.6 Å²	112.6	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-68.5	-41.4	176.7	-165.2	72.9	0	0	0	112.1	K889 T890 R891 L896 L897	K889-L893 WeakPolarHBondContact O-CB 3.43Å; K889-L893 PolarHBondContact O-N 2.88Å; T890-L893 PolarHBondContact O-N 2.97Å; R891-L893 VanDerWaalsContact C-N 3.27Å; R891-L893 PolarHBondContact O-N 2.94Å; L893-L896 PolarHBondContact O-N 2.96Å; L893-L897 HydrophobicContact CG-CD1 4.29Å; L893-L897 WeakPolarHBondContact O-CB 3.43Å; L893-L897 WeakPolarHBondContact O-CG 3.11Å; L893-L897 PolarHBondContact O-N 3.4Å
894	N	55.7	Low	52.7	Low	87 Å²	87	110.1 Å²	110.1	47%	0.465	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-40.5	174.8	-83.7	-4.1	0	0	0	112.3	T890 R891 L896 L897 N898	T890-N894 WeakPolarHBondContact O-CB 3.32Å; T890-N894 PolarHBondContact O-N 3.11Å; R891-N894 PolarHBondContact O-N 3.14Å; N894-L896 VanDerWaalsContact C-N 3.33Å; N894-L897 PolarHBondContact O-N 3.02Å; N894-N898 WeakPolarHBondContact O-CB 3.5Å; N894-N898 PolarHBondContact O-N 3.27Å; N894-N898 PolarHBondContact O-ND2 2.95Å
895	D	56.3	Low	54.6	Low	86 Å²	86	105 Å²	105	46%	0.46	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.7	-71	-31.2	0	0	0	110.7	R891 W899	R891-D895 WeakPolarHBondContact O-CB 3.46Å; R891-D895 PolarHBondContact O-N 3.09Å; D895-W899 WeakPolarHBondContact O-CB 3.25Å; D895-W899 PolarHBondContact O-N 2.88Å
896	L	59.1	Low	56.3	Low	96 Å²	96	105.1 Å²	105.1	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-45.6	173.3	-174.2	69.5	0	0	0	112.6	L892 L893 N894 N898 W899 I900	L892-L896 VanDerWaalsContact O-CB 3.3Å; L892-L896 WeakPolarHBondContact O-CB 3.41Å; L892-L896 PolarHBondContact O-N 3.42Å; L893-L896 PolarHBondContact O-N 2.96Å; N894-L896 VanDerWaalsContact C-N 3.33Å; L896-N898 VanDerWaalsContact C-N 3.35Å; L896-N898 PolarHBondContact O-N 3.19Å; L896-W899 PolarHBondContact O-N 3.47Å; L896-I900 HydrophobicContact CD1-CD1 4.43Å; L896-I900 HydrophobicContact CG-CD1 3.98Å; L896-I900 WeakPolarHBondContact O-CG1 3.49Å; L896-I900 PolarHBondContact O-N 2.98Å
897	L	69.1	Low	58.2	Low	82 Å²	82	103.4 Å²	103.4	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-40.3	176.3	-83.4	164	0	0	0	111.9	L893 N894 W899 N901	L893-L897 HydrophobicContact CG-CD1 4.29Å; L893-L897 WeakPolarHBondContact O-CB 3.43Å; L893-L897 WeakPolarHBondContact O-CG 3.11Å; L893-L897 PolarHBondContact O-N 3.4Å; N894-L897 PolarHBondContact O-N 3.02Å; L897-W899 VanDerWaalsContact C-N 3.34Å; L897-N901 VanDerWaalsContact O-CB 3.31Å; L897-N901 WeakPolarHBondContact O-CB 3.41Å; L897-N901 PolarHBondContact O-N 3.38Å; L897-N901 PolarHBondContact O-ND2 2.68Å
898	N	60.3	Low	60.1	Low	104 Å²	104	102.8 Å²	102.8	56%	0.556	50%	0.503	S	S	*	.	H	α-helix	trans	-62.5	-41.5	172.8	-79.9	-47.5	0	0	0	111.4	N894 L896 N901 L902	N894-N898 WeakPolarHBondContact O-CB 3.5Å; N894-N898 PolarHBondContact O-N 3.27Å; N894-N898 PolarHBondContact O-ND2 2.95Å; L896-N898 VanDerWaalsContact C-N 3.35Å; L896-N898 PolarHBondContact O-N 3.19Å; N898-N901 PolarHBondContact O-N 2.82Å; N898-L902 WeakPolarHBondContact O-CB 3.47Å; N898-L902 PolarHBondContact O-N 3.43Å
899	W	72.5	Confident	61.5	Low	167 Å²	167	100.6 Å²	100.6	63%	0.633	49%	0.492	S	S	*	.	H	α-helix	trans	-66.8	-44.6	178	-163.1	93.1	0	0	0	112.5	D895 L896 L897 L902 F903	D895-W899 WeakPolarHBondContact O-CB 3.25Å; D895-W899 PolarHBondContact O-N 2.88Å; L896-W899 PolarHBondContact O-N 3.47Å; L897-W899 VanDerWaalsContact C-N 3.34Å; W899-L902 PolarHBondContact O-N 2.96Å; W899-F903 HydrophobicContact CE3-CB 4.35Å; W899-F903 HydrophobicContact CH2-CD2 4.25Å; W899-F903 HydrophobicContact CZ3-CB 4.24Å; W899-F903 HydrophobicContact CZ3-CD2 4.34Å; W899-F903 HydrophobicContact CZ3-CG 4.35Å; W899-F903 WeakPolarHBondContact O-CB 3.33Å; W899-F903 PolarHBondContact O-N 3.41Å
900	I	70.1	Confident	63.2	Low	71 Å²	71	97.7 Å²	97.7	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-45.6	174.7	-69.6	167.1	0	0	0	110.7	L896 L902 F903 L904	L896-I900 HydrophobicContact CD1-CD1 4.43Å; L896-I900 HydrophobicContact CG-CD1 3.98Å; L896-I900 WeakPolarHBondContact O-CG1 3.49Å; L896-I900 PolarHBondContact O-N 2.98Å; I900-L902 VanDerWaalsContact C-N 3.32Å; I900-L902 PolarHBondContact O-N 3.08Å; I900-F903 PolarHBondContact O-N 2.9Å; I900-L904 HydrophobicContact CG2-CD1 3.84Å; I900-L904 HydrophobicContact CG2-CG 4.29Å; I900-L904 WeakPolarHBondContact O-CB 3.41Å; I900-L904 WeakPolarHBondContact O-CG 3.44Å; I900-L904 PolarHBondContact O-N 3.37Å
901	N	68.5	Low	64.5	Low	95 Å²	95	98.4 Å²	98.4	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-37.9	175.7	-80.8	-52.6	0	0	0	112.1	L897 N898 R905	L897-N901 VanDerWaalsContact O-CB 3.31Å; L897-N901 WeakPolarHBondContact O-CB 3.41Å; L897-N901 PolarHBondContact O-N 3.38Å; L897-N901 PolarHBondContact O-ND2 2.68Å; N898-N901 PolarHBondContact O-N 2.82Å; N901-R905 WeakPolarHBondContact O-CB 3.35Å; N901-R905 PolarHBondContact O-N 3.13Å
902	L	66.4	Low	65.7	Low	108 Å²	108	98.3 Å²	98.3	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-66.8	-41.7	174.7	-145.3	78.9	0	0	0	111.7	N898 W899 I900 R905 N906	N898-L902 WeakPolarHBondContact O-CB 3.47Å; N898-L902 PolarHBondContact O-N 3.43Å; W899-L902 PolarHBondContact O-N 2.96Å; I900-L902 VanDerWaalsContact C-N 3.32Å; I900-L902 PolarHBondContact O-N 3.08Å; L902-R905 PolarHBondContact O-N 3.39Å; L902-N906 WeakPolarHBondContact O-CB 3.49Å; L902-N906 VanDerWaalsContact O-CG 3.22Å; L902-N906 PolarHBondContact O-N 3.41Å; L902-N906 PolarHBondContact O-ND2 3.29Å
903	F	67.4	Low	66.3	Low	113 Å²	113	101.4 Å²	101.4	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-54.9	179.7	179.1	-93.9	0	0	0	112.1	W899 I900 R905 N906 L907	W899-F903 HydrophobicContact CE3-CB 4.35Å; W899-F903 HydrophobicContact CH2-CD2 4.25Å; W899-F903 HydrophobicContact CZ3-CB 4.24Å; W899-F903 HydrophobicContact CZ3-CD2 4.34Å; W899-F903 HydrophobicContact CZ3-CG 4.35Å; W899-F903 WeakPolarHBondContact O-CB 3.33Å; W899-F903 PolarHBondContact O-N 3.41Å; I900-F903 PolarHBondContact O-N 2.9Å; F903-R905 PolarHBondContact O-N 3.06Å; F903-N906 PolarHBondContact O-N 2.96Å; F903-N906 VanDerWaalsContact O-N 3.16Å; F903-L907 WeakPolarHBondContact O-CB 3.3Å; F903-L907 PolarHBondContact O-N 3.33Å
904	L	74	Confident	66.6	Low	86 Å²	86	100.5 Å²	100.5	45%	0.45	49%	0.492	S	S	.	.	H	α-helix	trans	-55.3	-39.2	176.6	-72.4	172.4	0	0	0	111.4	I900 L907 I908	I900-L904 HydrophobicContact CG2-CD1 3.84Å; I900-L904 HydrophobicContact CG2-CG 4.29Å; I900-L904 WeakPolarHBondContact O-CB 3.41Å; I900-L904 WeakPolarHBondContact O-CG 3.44Å; I900-L904 PolarHBondContact O-N 3.37Å; L904-L907 WeakPolarHBondContact O-CB 3.37Å; L904-L907 PolarHBondContact O-N 3.36Å; L904-I908 VanDerWaalsContact O-CG1 3.27Å; L904-I908 WeakPolarHBondContact O-CG1 3.36Å; L904-I908 PolarHBondContact O-N 3.4Å
905	R	70.6	Confident	66.8	Low	92 Å²	92	100 Å²	100	35%	0.347	49%	0.489	S	S	.	.	H	α-helix	trans	-72.4	-35.5	-178.9	-170.2	176.1	-143.5	-52.7	7.9	113.5	G94 N901 L902 F903 N909	G94-R905 PolarHBondContact O-NH1 2.76Å; G94-R905 PolarHBondContact O-NH2 2.85Å; N901-R905 WeakPolarHBondContact O-CB 3.35Å; N901-R905 PolarHBondContact O-N 3.13Å; L902-R905 PolarHBondContact O-N 3.39Å; F903-R905 PolarHBondContact O-N 3.06Å; R905-N909 WeakPolarHBondContact O-CB 3.49Å; R905-N909 PolarHBondContact O-N 2.79Å; R905-N909 VanDerWaalsContact O-N 3.07Å
906	N	64.4	Low	66.3	Low	93 Å²	93	100.4 Å²	100.4	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-69.9	-37	170.6	-71.7	-15.3	0	0	0	111.2	L902 F903 N909 L910	L902-N906 WeakPolarHBondContact O-CB 3.49Å; L902-N906 VanDerWaalsContact O-CG 3.22Å; L902-N906 PolarHBondContact O-N 3.41Å; L902-N906 PolarHBondContact O-ND2 3.29Å; F903-N906 PolarHBondContact O-N 2.96Å; F903-N906 VanDerWaalsContact O-N 3.16Å; N906-N909 PolarHBondContact O-N 3.25Å; N906-L910 WeakPolarHBondContact O-CB 3.38Å; N906-L910 PolarHBondContact O-N 3.34Å
907	L	73.1	Confident	65.9	Low	76 Å²	76	99.9 Å²	99.9	40%	0.398	50%	0.501	S	S	.	.	H	α-helix	trans	-63.5	-44.3	174.5	-173.7	67.7	0	0	0	111.8	F903 L904 L910 L911	F903-L907 WeakPolarHBondContact O-CB 3.3Å; F903-L907 PolarHBondContact O-N 3.33Å; L904-L907 WeakPolarHBondContact O-CB 3.37Å; L904-L907 PolarHBondContact O-N 3.36Å; L907-L910 PolarHBondContact O-N 3.44Å; L907-L911 HydrophobicContact CG-CD1 4.38Å; L907-L911 WeakPolarHBondContact O-CG 3.15Å; L907-L911 PolarHBondContact O-N 3.11Å
908	I	75.6	Confident	65	Low	91 Å²	91	102.1 Å²	102.1	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-45.1	173.8	-69.2	165.7	0	0	0	110.8	L904 L910 L911 F912	L904-I908 VanDerWaalsContact O-CG1 3.27Å; L904-I908 WeakPolarHBondContact O-CG1 3.36Å; L904-I908 PolarHBondContact O-N 3.4Å; I908-L910 VanDerWaalsContact C-N 3.31Å; I908-L910 PolarHBondContact O-N 2.88Å; I908-L911 PolarHBondContact O-N 3.19Å; I908-F912 HydrophobicContact CG2-CD2 3.91Å; I908-F912 HydrophobicContact CG2-CE2 4.18Å; I908-F912 PolarHBondContact O-N 3.21Å
909	N	65.7	Low	64.4	Low	59 Å²	59	105 Å²	105	32%	0.316	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-38.7	175.7	-85.2	17.6	0	0	0	112.2	G95 R905 N906 F912 F913	G95-N909 PolarHBondContact O-ND2 3.26Å; R905-N909 WeakPolarHBondContact O-CB 3.49Å; R905-N909 PolarHBondContact O-N 2.79Å; R905-N909 VanDerWaalsContact O-N 3.07Å; N906-N909 PolarHBondContact O-N 3.25Å; N909-F912 PolarHBondContact O-N 3.09Å; N909-F913 PolarHBondContact O-N 2.9Å
910	L	68.4	Low	62.9	Low	100 Å²	100	100.3 Å²	100.3	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-66.4	-44	176.6	-174.8	67.2	0	0	0	111.4	N906 L907 I908 F912 F913 L914	N906-L910 WeakPolarHBondContact O-CB 3.38Å; N906-L910 PolarHBondContact O-N 3.34Å; L907-L910 PolarHBondContact O-N 3.44Å; I908-L910 VanDerWaalsContact C-N 3.31Å; I908-L910 PolarHBondContact O-N 2.88Å; L910-F912 PolarHBondContact O-N 2.98Å; L910-F913 PolarHBondContact O-N 2.5Å; L910-F913 VanDerWaalsContact O-N 3.14Å; L910-L914 HydrophobicContact CD1-CD1 4.33Å; L910-L914 HydrophobicContact CG-CD1 4Å; L910-L914 WeakPolarHBondContact O-CG 3.37Å; L910-L914 PolarHBondContact O-N 3.22Å
911	L	70.8	Confident	61.3	Low	94 Å²	94	110.2 Å²	110.2	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-60.2	-43.8	173.9	-71.8	166.2	0	0	0	111.4	L907 I908 F913 L914 L915	L907-L911 HydrophobicContact CG-CD1 4.38Å; L907-L911 WeakPolarHBondContact O-CG 3.15Å; L907-L911 PolarHBondContact O-N 3.11Å; I908-L911 PolarHBondContact O-N 3.19Å; L911-F913 VanDerWaalsContact C-N 3.26Å; L911-F913 PolarHBondContact O-N 3.14Å; L911-L914 PolarHBondContact O-N 3.05Å; L911-L915 WeakPolarHBondContact O-CB 3.13Å; L911-L915 WeakPolarHBondContact O-CD1 3.38Å; L911-L915 VanDerWaalsContact O-CG 3.24Å; L911-L915 WeakPolarHBondContact O-CG 3.33Å; L911-L915 PolarHBondContact O-N 3.21Å
912	F	67.2	Low	60.9	Low	150 Å²	150	111 Å²	111	66%	0.658	57%	0.567	S	S	*	*	H	α-helix	trans	-64.2	-26.2	174.9	-97.5	-80.8	0	0	0	114	I908 N909 L910 P916	I908-F912 HydrophobicContact CG2-CD2 3.91Å; I908-F912 HydrophobicContact CG2-CE2 4.18Å; I908-F912 PolarHBondContact O-N 3.21Å; N909-F912 PolarHBondContact O-N 3.09Å; L910-F912 PolarHBondContact O-N 2.98Å; F912-P916 WeakPolarHBondContact O-CD 3.47Å
913	F	59.6	Low	60.6	Low	178 Å²	178	111.1 Å²	111.1	78%	0.781	57%	0.567	S	S	*	*	H	α-helix	trans	-80.8	-30.3	172.8	-106.8	-86.9	0	0	0	113.3	N909 L910 L911	N909-F913 PolarHBondContact O-N 2.9Å; L910-F913 PolarHBondContact O-N 2.5Å; L910-F913 VanDerWaalsContact O-N 3.14Å; L911-F913 VanDerWaalsContact C-N 3.26Å; L911-F913 PolarHBondContact O-N 3.14Å
914	L	64.5	Low	60.3	Low	82 Å²	82	111 Å²	111	43%	0.429	57%	0.571	S	S	.	*	H	α-helix	trans	-86.7	-30.7	-179.1	-68.3	171.2	0	0	0	113.3	L910 L911 S917 L918	L910-L914 HydrophobicContact CD1-CD1 4.33Å; L910-L914 HydrophobicContact CG-CD1 4Å; L910-L914 WeakPolarHBondContact O-CG 3.37Å; L910-L914 PolarHBondContact O-N 3.22Å; L911-L914 PolarHBondContact O-N 3.05Å; L914-S917 PolarHBondContact O-N 3.14Å; L914-S917 PolarHBondContact O-OG 3.1Å; L914-L918 HydrophobicContact CB-CD1 4.42Å; L914-L918 PolarHBondContact O-N 3.32Å; L914-L918 VanDerWaalsContact O-N 3.1Å
915	L	58.9	Low	59.5	Low	76 Å²	76	112.5 Å²	112.5	40%	0.398	58%	0.579	S	S	.	*	H	α-helix	trans	-55.7	-44.9	-180	-81.5	164.3	0	0	0	113.6	L911 S917 L918 F919	L911-L915 WeakPolarHBondContact O-CB 3.13Å; L911-L915 WeakPolarHBondContact O-CD1 3.38Å; L911-L915 VanDerWaalsContact O-CG 3.24Å; L911-L915 WeakPolarHBondContact O-CG 3.33Å; L911-L915 PolarHBondContact O-N 3.21Å; L915-S917 PolarHBondContact O-N 2.62Å; L915-L918 PolarHBondContact O-N 3.04Å; L915-L918 VanDerWaalsContact O-N 3.09Å; L915-F919 HydrophobicContact CD2-CD2 4.01Å; L915-F919 HydrophobicContact CD2-CE2 3.79Å; L915-F919 PolarHBondContact O-N 3.48Å
916	P	45.9	Very low	58.8	Low	95 Å²	95	113.8 Å²	113.8	62%	0.617	59%	0.593	S	S	*	*	H	α-helix	trans	-63.3	-22.5	175	-23.9	35.2	0	0	0	114.7	F912	F912-P916 WeakPolarHBondContact O-CD 3.47Å
917	S	52	Low	58.4	Low	85 Å²	85	115.1 Å²	115.1	59%	0.594	60%	0.599	S	S	*	*	H	α-helix	trans	-89.4	-13.5	174.5	60.5	0	0	0	0	114.1	L914 L915	L914-S917 PolarHBondContact O-N 3.14Å; L914-S917 PolarHBondContact O-OG 3.1Å; L915-S917 PolarHBondContact O-N 2.62Å
918	L	48.7	Very low	57.3	Low	129 Å²	129	117.9 Å²	117.9	68%	0.675	61%	0.614	S	S	*	*	H	α-helix	trans	-97.5	-27.1	177.5	-72.2	166.1	0	0	0	112.6	L914 L915	L914-L918 HydrophobicContact CB-CD1 4.42Å; L914-L918 PolarHBondContact O-N 3.32Å; L914-L918 VanDerWaalsContact O-N 3.1Å; L915-L918 PolarHBondContact O-N 3.04Å; L915-L918 VanDerWaalsContact O-N 3.09Å
919	F	47.4	Very low	55.9	Low	164 Å²	164	120 Å²	120	72%	0.719	63%	0.625	S	S	*	*	S	Bend	trans	-106	55.2	174.3	-70.2	-81.6	0	0	0	111.7	L915 K921	L915-F919 HydrophobicContact CD2-CD2 4.01Å; L915-F919 HydrophobicContact CD2-CE2 3.79Å; L915-F919 PolarHBondContact O-N 3.48Å; F919-K921 PolarHBondContact O-N 2.8Å; F919-K921 VanDerWaalsContact O-N 3.16Å
920	G	42.4	Very low	55.1	Low	69 Å²	69	125.1 Å²	125.1	71%	0.711	65%	0.651	S	S	*	*			trans	-82.7	73.3	175.4	0	0	0	0	0	113.1
921	K	35.9	Very low	53.9	Low	279 Å²	279	127.4 Å²	127.4	100%	1.213	66%	0.663	S	S	*	*			trans	-160	0	164.6	-123.4	179.5	-176.9	-178.8	0	112.7	F919	F919-K921 PolarHBondContact O-N 2.8Å; F919-K921 VanDerWaalsContact O-N 3.16Å

Retrieved 921 of 921 residues in 1590 ms (Link to these results)

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