A0A093I203_STRCA Loading...

leucine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A093I203, Species STRCA (Struthio camelus australis), Gene n/a, Length 904 aa.

						>A0A093I203_STRCA|A0A093I203
MQSVCQKVGTCSSCLNKQLHGFLGLIKWQTRLDPACVRAIYSETGKWEKSYGLETRKRVENWWFPRIKDQFCRISETDKSRPKFYVLSMFPYPSGKLHMGHLRVYTISDAVARFQKMRGMQVINPMGWDAFGLPAENAAVEHGLHPASWTQSNIQHMREQFDALGLSFTWEREITTCLPEYYKWTQYLFLKLFEAGIVYQKEALVNWDPVDQTVLANEQVDDNGCSWRSGAKVEQKYLKQWFIKTTAYAKAMFDALSDLPEWYGIKEMQANWIGDCAGCSLDFLLKVNGKITGEKVSAYTYTPEAIYGASHLYILPAHRLLHGNSSLKEVFQREFIQGKDCLTSVTAVNLLTNQEIPIVISAKPNFENFLDTKIGIPSTSTEDATVAKNLGISFTEVIETLPNGLEKVINSGEFTGMTRQEALKALTQQAKNKGIGGDLTSDKLRDWLISRQRYWGTPIPVVHCQTCGAVPVPYEDLPVLLPNITTFSGKGASPLENVPEWVNCSCPRCKAAARRETDTMDTFVDSAWYYLRYTDPHNTERPFNNDLADYWMPVDLYIGGKEHAVMHLFYARFFSHFCCDLKMTKHKEPFHKLLVQGLIKNQTFRLTTTGQYLKREEIDFTGTEPVHLKTGEKIQVTWEKMSKSKHNGIDPEELKKEYGIDTIRLYILFAAPPEQDILWDAKTDAMPGVQRWQTRLWTLVTKLIEARTSGTMPNPELLSKKQKAEARKIWEQKNLVISEVTEYFAKDHLFNAAISRLMSLSNILYQASQPLILHSAEFEDALATLCIMVAPMAPHVASEMWKGLAHMQNKLCPHHNWDADVLHQSWPKIDPEYLQPSDVIEMSVLINNKACGKVSVPQQAARNFEEVHELVLQSELGIKHLQGRTIKKAFLSPRTALINFLVQE
					

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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	31.9	Very low	27.3	Very low	233 Å²	233	139.2 Å²	139.2	100%	1.148	79%	0.792	S	S	*	*				0	126.3	0	-87.1	171.6	-173.2	0	0	108.4
2	Q	28.7	Very low	27.1	Very low	190 Å²	190	135.6 Å²	135.6	89%	0.888	78%	0.782	S	S	*	*			trans	58.1	138.1	156.3	-67.6	174.9	-22.4	0	0	119.7
3	S	26	Very low	27	Very low	93 Å²	93	133.4 Å²	133.4	65%	0.65	78%	0.779	S	S	*	*			cis	-175.3	131.9	-15.1	89.9	0	0	0	0	105.5
4	V	32.2	Very low	27	Very low	122 Å²	122	131.9 Å²	131.9	74%	0.739	78%	0.778	S	S	*	*				83.3	103.6	92.3	169.7	0	0	0	0	111.7
5	C	27.1	Very low	26.9	Very low	104 Å²	104	133.2 Å²	133.2	70%	0.703	78%	0.779	S	S	*	*				106	153.7	101.8	-97.8	0	0	0	0	110.6
6	Q	26.3	Very low	26.8	Very low	162 Å²	162	133.3 Å²	133.3	76%	0.757	78%	0.775	S	S	*	*			cis	-166.7	128.9	37.4	-126.8	160.1	14.6	0	0	107.2
7	K	28.2	Very low	26.8	Very low	177 Å²	177	136.4 Å²	136.4	77%	0.77	78%	0.777	S	S	*	*				81.7	121.9	99	-82	-164.9	177.6	176	0	118.1
8	V	26.8	Very low	27.1	Very low	134 Å²	134	137.2 Å²	137.2	81%	0.812	77%	0.773	S	S	*	*				60.2	126.8	127.7	-172.5	0	0	0	0	117
9	G	24.6	Very low	27.1	Very low	56 Å²	56	135.9 Å²	135.9	58%	0.577	76%	0.764	S	S	*	*			cis	117.2	122.2	20.4	0	0	0	0	0	110.1
10	T	25	Very low	27.1	Very low	143 Å²	143	138.2 Å²	138.2	88%	0.877	77%	0.767	S	S	*	*			trans	164.8	119.3	152.7	40.8	0	0	0	0	110.6
11	C	23.5	Very low	27	Very low	117 Å²	117	134.6 Å²	134.6	79%	0.791	76%	0.761	S	S	*	*				72.8	142.3	94.3	-130.8	0	0	0	0	113.8
12	S	24.8	Very low	26.7	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	75%	0.748	S	S	*	*			cis	-177.8	166.2	-19.3	-94.1	0	0	0	0	106.5
13	S	26.3	Very low	26.6	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	75%	0.746	S	S	*	*			trans	80.5	137.6	163.6	80.4	0	0	0	0	117
14	C	25.9	Very low	26.6	Very low	112 Å²	112	130.7 Å²	130.7	76%	0.757	75%	0.752	S	S	*	*			cis	-138	134.2	37.7	-68.6	0	0	0	0	111.2
15	L	26.7	Very low	26.3	Very low	152 Å²	152	133.1 Å²	133.1	80%	0.796	76%	0.76	S	S	*	*				52	136.1	81.1	-94.5	109.7	0	0	0	113.8
16	N	25.5	Very low	26.5	Very low	134 Å²	134	135 Å²	135	72%	0.717	76%	0.762	S	S	*	*			cis	170.8	139.2	-13.7	-139.6	-9.4	0	0	0	104.4
17	K	25.8	Very low	26.6	Very low	187 Å²	187	135.8 Å²	135.8	81%	0.813	76%	0.763	S	S	*	*			trans	179.8	98.7	150.6	-103.6	170.9	-175.9	-175.5	0	108.6
18	Q	32.3	Very low	26.6	Very low	151 Å²	151	138.2 Å²	138.2	71%	0.706	77%	0.767	S	S	*	*				81.2	131.7	80.5	-85.1	-161.6	-29	0	0	112.2
19	L	28.1	Very low	26.6	Very low	113 Å²	113	139.5 Å²	139.5	59%	0.592	77%	0.765	S	S	*	*			cis	-166.7	151.9	11.3	-88.7	148.1	0	0	0	110.8
20	H	26.1	Very low	27	Very low	181 Å²	181	143 Å²	143	84%	0.838	77%	0.774	S	S	*	*			trans	51.7	139.4	142.3	-64.7	-50.1	0	0	0	122.2
21	G	25.1	Very low	27.2	Very low	62 Å²	62	147.6 Å²	147.6	64%	0.639	78%	0.776	S	S	*	*			cis	-166.5	166	4.7	0	0	0	0	0	107.1
22	F	25	Very low	27.8	Very low	198 Å²	198	149.6 Å²	149.6	87%	0.868	78%	0.778	S	S	*	*				-172	141.1	55.1	-121.3	-103.3	0	0	0	109.1
23	L	27	Very low	28	Very low	160 Å²	160	150.8 Å²	150.8	84%	0.838	78%	0.777	S	S	*	*			trans	10.8	133	158.2	-73	104.2	0	0	0	122.6
24	G	25.6	Very low	28.5	Very low	77 Å²	77	151.7 Å²	151.7	79%	0.794	78%	0.78	S	S	*	*			trans	156.5	35	150.9	0	0	0	0	0	119.5	I26	G24-I26 PolarHBondContact O-N 2.99Å
25	L	27.1	Very low	29	Very low	173 Å²	173	150.2 Å²	150.2	91%	0.906	78%	0.776	S	S	*	*			trans	-92.8	95.6	175.5	-103.7	152.7	0	0	0	111.3
26	I	29.9	Very low	29.8	Very low	144 Å²	144	147.4 Å²	147.4	74%	0.738	77%	0.768	S	S	*	*			trans	-83.4	113.5	160.3	-65.9	175.6	0	0	0	107.5	G24 W28	G24-I26 PolarHBondContact O-N 2.99Å; I26-W28 PolarHBondContact O-N 2.86Å
27	K	28.9	Very low	30.9	Very low	177 Å²	177	146.7 Å²	146.7	77%	0.77	77%	0.768	S	S	*	*			trans	-58.2	112.8	166.1	-77.4	175.6	173.6	176.5	0	109.6
28	W	28	Very low	32.7	Very low	228 Å²	228	142.5 Å²	142.5	86%	0.864	75%	0.747	S	S	*	*			trans	-93.1	85.1	152	-84.6	74.2	0	0	0	107.9	I26 T30	I26-W28 PolarHBondContact O-N 2.86Å; W28-T30 PolarHBondContact O-N 2.81Å
29	Q	28	Very low	34.7	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	72%	0.722	S	S	*	*			trans	-63.9	111.2	154.6	-89	174.3	-35.5	0	0	106.5	R31	Q29-R31 PolarHBondContact O-N 2.86Å
30	T	31.7	Very low	37.7	Very low	128 Å²	128	131 Å²	131	79%	0.785	69%	0.694	S	S	*	*			trans	-57.9	92	161	26.9	0	0	0	0	108.2	W28 L32	W28-T30 PolarHBondContact O-N 2.81Å; T30-L32 PolarHBondContact O-N 3.4Å
31	R	29.8	Very low	40.9	Very low	240 Å²	240	124.6 Å²	124.6	91%	0.906	66%	0.663	S	S	*	*			trans	-62.4	95.7	154.5	-84.3	-175.2	179.4	-172.3	-0.1	106.2	Q29 D33	Q29-R31 PolarHBondContact O-N 2.86Å; R31-D33 VanDerWaalsContact C-N 3.3Å; R31-D33 PolarHBondContact O-N 2.96Å; R31-D33 VanDerWaalsContact O-N 3.09Å
32	L	35.4	Very low	44.1	Very low	159 Å²	159	122.6 Å²	122.6	83%	0.832	64%	0.639	S	S	*	*			trans	-63	101.6	152.4	-82.8	157.6	0	0	0	105.7	T30 P34	T30-L32 PolarHBondContact O-N 3.4Å; L32-P34 VanDerWaalsContact O-CD 3.25Å; L32-P34 WeakPolarHBondContact O-CD 3.16Å
33	D	29.8	Very low	47.2	Very low	121 Å²	121	117.3 Å²	117.3	65%	0.647	62%	0.617	S	S	*	*			trans	-66.3	116.8	167.7	-168.5	-10.7	0	0	0	108.1	R31 A35	R31-D33 VanDerWaalsContact C-N 3.3Å; R31-D33 PolarHBondContact O-N 2.96Å; R31-D33 VanDerWaalsContact O-N 3.09Å; D33-A35 PolarHBondContact O-N 3.46Å; D33-A35 VanDerWaalsContact O-N 3.16Å; D33-A35 WeakPolarHBondContact OD1-CB 3.43Å; D33-A35 PolarHBondContact OD1-N 2.99Å; D33-A35 VanDerWaalsContact OD1-N 3.16Å
34	P	36.3	Very low	50.3	Low	127 Å²	127	112.6 Å²	112.6	83%	0.825	60%	0.595	S	S	*	*	S	Bend	trans	-73.2	4.7	178.2	-12.2	29.4	0	0	0	113.5	L32	L32-P34 VanDerWaalsContact O-CD 3.25Å; L32-P34 WeakPolarHBondContact O-CD 3.16Å
35	A	37.4	Very low	53.4	Low	81 Å²	81	111 Å²	111	67%	0.669	58%	0.579	S	S	*	*			trans	-113.8	37.3	-168.3	0	0	0	0	0	115.9	D33	D33-A35 PolarHBondContact O-N 3.46Å; D33-A35 VanDerWaalsContact O-N 3.16Å; D33-A35 WeakPolarHBondContact OD1-CB 3.43Å; D33-A35 PolarHBondContact OD1-N 2.99Å; D33-A35 VanDerWaalsContact OD1-N 3.16Å
36	C	43.3	Very low	56.4	Low	92 Å²	92	110.2 Å²	110.2	62%	0.622	57%	0.569	S	S	*	*			trans	-137.7	65.8	166.3	-156.8	0	0	0	0	112	R38	C36-R38 VanDerWaalsContact C-N 3.3Å; C36-R38 PolarHBondContact O-N 3.17Å
37	V	48.6	Very low	59.5	Low	119 Å²	119	105.2 Å²	105.2	72%	0.721	54%	0.54	S	S	*	.			trans	-67.4	97.3	157.5	-178.3	0	0	0	0	106.2	A39	V37-A39 PolarHBondContact O-N 2.92Å
38	R	62.8	Low	62.6	Low	100 Å²	100	98.3 Å²	98.3	38%	0.377	51%	0.511	S	S	.	.			trans	-64.4	91.8	179.6	-70.8	-174	-175.5	178.1	1.4	110.3	C36 R58	C36-R38 VanDerWaalsContact C-N 3.3Å; C36-R38 PolarHBondContact O-N 3.17Å; R38-R58 WeakPolarHBondContact O-CD 3.24Å; R38-R58 PolarHBondContact O-NH1 3.49Å
39	A	74.9	Confident	65.7	Low	22 Å²	22	93.9 Å²	93.9	18%	0.182	50%	0.498	C	S	.	.			trans	-63.3	156.8	-179.1	0	0	0	0	0	112.8	V37 T44 E48	V37-A39 PolarHBondContact O-N 2.92Å; A39-T44 HydrophobicContact CB-CG2 3.56Å; A39-T44 WeakPolarHBondContact CB-OG1 3.17Å; A39-E48 WeakPolarHBondContact O-CB 3.46Å
40	I	90.6	Very high	68.7	Low	1 Å²	1	88.2 Å²	88.2	1%	0.005	48%	0.476	C	S	.	.			trans	-110.1	157.9	163.9	65.6	170.4	0	0	0	109.4	S42 E43 T44 K46 T55 R58 V59 W62 E799	I40-S42 PolarHBondContact O-N 3.18Å; I40-E43 HydrophobicContact CD1-CB 4.45Å; I40-E43 HydrophobicContact CG1-CB 3.73Å; I40-E43 PolarHBondContact O-N 3.48Å; I40-T44 PolarHBondContact O-N 2.87Å; I40-T44 VanDerWaalsContact O-N 3.12Å; I40-T44 PolarHBondContact O-OG1 2.99Å; I40-K46 CarbonylContact C-O 3.6Å; I40-T55 HydrophobicContact CG2-CG2 4.25Å; I40-R58 HydrophobicContact CG2-CB 3.92Å; I40-V59 HydrophobicContact CB-CG2 4.43Å; I40-V59 HydrophobicContact CD1-CG2 4.48Å; I40-V59 HydrophobicContact CG2-CG2 3.78Å; I40-W62 HydrophobicContact CD1-CB 3.49Å; I40-W62 VanDerWaalsContact CD1-CB 3.49Å; I40-W62 HydrophobicContact CD1-CD2 4.38Å; I40-W62 HydrophobicContact CD1-CG 3.79Å; I40-E799 WeakPolarHBondContact CB-OE1 3.37Å
41	Y	92.5	Very high	71.6	Confident	45 Å²	45	82.7 Å²	82.7	18%	0.176	44%	0.441	C	S	.	.	H	α-helix	trans	-62.3	-46.2	-175.1	-176.3	-90.3	0	0	0	111.2	E43 T44 G45 K46 W47 E799 K802 H806	Y41-E43 PolarHBondContact O-N 3.01Å; Y41-E43 VanDerWaalsContact O-N 3.13Å; Y41-T44 PolarHBondContact O-N 3.49Å; Y41-G45 WeakPolarHBondContact CE2-O 3.43Å; Y41-G45 WeakPolarHBondContact O-CA 3.28Å; Y41-G45 PolarHBondContact O-N 3.41Å; Y41-K46 WeakPolarHBondContact CA-O 3.01Å; Y41-K46 PolarHBondContact N-O 2.98Å; Y41-W47 HydrophobicContact CD2-CB 4.2Å; Y41-W47 HydrophobicContact CD2-CE3 4.34Å; Y41-W47 HydrophobicContact CG-CE3 4.16Å; Y41-E799 WeakPolarHBondContact CA-OE1 3.43Å; Y41-E799 VanDerWaalsContact CB-OE1 3.26Å; Y41-E799 WeakPolarHBondContact CB-OE1 3.2Å; Y41-E799 PolarHBondContact N-OE1 2.95Å; Y41-K802 HydrophobicContact CD1-CG 3.94Å; Y41-K802 HydrophobicContact CE1-CG 4.22Å; Y41-H806 HydrophobicContact CE1-CB 3.72Å; Y41-H806 AromaticContact CE1-CG 3.59Å; Y41-H806 AromaticContact CE1-ND1 3.74Å; Y41-H806 AromaticContact CZ-CG 3.81Å; Y41-H806 WeakPolarHBondContact OH-CB 3.5Å; Y41-H806 VanDerWaalsContact OH-CG 3.28Å
42	S	92.9	Very high	74.6	Confident	21 Å²	21	72.3 Å²	72.3	15%	0.147	41%	0.409	C	S	.	.	H	α-helix	trans	-63.2	-24.1	-176.4	-58.5	0	0	0	0	114.2	I40 W62 W63 E799 K802	I40-S42 PolarHBondContact O-N 3.18Å; S42-W62 WeakPolarHBondContact O-CH2 3.26Å; S42-W62 WeakPolarHBondContact O-CZ2 3.32Å; S42-W63 WeakPolarHBondContact OG-CZ2 3.38Å; S42-E799 VanDerWaalsContact CB-OE2 3.27Å; S42-E799 WeakPolarHBondContact CB-OE2 3.41Å; S42-E799 PolarHBondContact N-OE1 3.28Å; S42-E799 VanDerWaalsContact N-OE1 3.08Å; S42-E799 PolarHBondContact OG-OE2 2.87Å; S42-K802 WeakPolarHBondContact OG-CG 3.26Å
43	E	91.3	Very high	77.1	Confident	86 Å²	86	68.1 Å²	68.1	40%	0.402	39%	0.387	S	S	.	.	H	α-helix	trans	-89.7	-37.2	179.3	-177.4	-170.7	-153.2	0	0	112.4	I40 Y41 R58 W62	I40-E43 HydrophobicContact CD1-CB 4.45Å; I40-E43 HydrophobicContact CG1-CB 3.73Å; I40-E43 PolarHBondContact O-N 3.48Å; Y41-E43 PolarHBondContact O-N 3.01Å; Y41-E43 VanDerWaalsContact O-N 3.13Å; E43-R58 IonicContact OE1-CZ 2.63Å; E43-R58 IonicContact OE1-NH2 2.71Å; E43-R58 PolarHBondContact OE1-NH2 3.5Å; E43-R58 IonicContact OE2-CZ 3.09Å; E43-R58 IonicContact OE2-NH1 3.92Å; E43-R58 IonicContact OE2-NH2 3.67Å; E43-R58 PolarHBondContact OE2-NH2 3.23Å; E43-W62 HydrophobicContact CB-CE3 3.97Å; E43-W62 HydrophobicContact CB-CH2 4.35Å; E43-W62 HydrophobicContact CB-CZ3 3.86Å; E43-W62 HydrophobicContact CG-CE3 4.29Å; E43-W62 HydrophobicContact CG-CZ3 3.95Å
44	T	91.6	Very high	80.1	Confident	61 Å²	61	67.4 Å²	67.4	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-122.9	-8.5	-165.8	66.7	0	0	0	0	115	A39 I40 Y41 K46	A39-T44 HydrophobicContact CB-CG2 3.56Å; A39-T44 WeakPolarHBondContact CB-OG1 3.17Å; I40-T44 PolarHBondContact O-N 2.87Å; I40-T44 VanDerWaalsContact O-N 3.12Å; I40-T44 PolarHBondContact O-OG1 2.99Å; Y41-T44 PolarHBondContact O-N 3.49Å; T44-K46 PolarHBondContact O-N 2.97Å; T44-K46 PolarHBondContact OG1-N 2.81Å
45	G	90.2	Very high	82.8	Confident	45 Å²	45	61.4 Å²	61.4	46%	0.464	34%	0.341	S	S	.	.	S	Bend	trans	69.1	5.4	-169.7	0	0	0	0	0	114.2	Y41	Y41-G45 WeakPolarHBondContact CE2-O 3.43Å; Y41-G45 WeakPolarHBondContact O-CA 3.28Å; Y41-G45 PolarHBondContact O-N 3.41Å
46	K	91.1	Very high	85.5	Confident	156 Å²	156	57.9 Å²	57.9	68%	0.678	31%	0.31	S	S	*	.			trans	-109.6	125.8	178.1	-64.8	-176.6	-179.5	178.6	0	110.4	I40 Y41 T44	I40-K46 CarbonylContact C-O 3.6Å; Y41-K46 WeakPolarHBondContact CA-O 3.01Å; Y41-K46 PolarHBondContact N-O 2.98Å; T44-K46 PolarHBondContact O-N 2.97Å; T44-K46 PolarHBondContact OG1-N 2.81Å
47	W	93.8	Very high	87.9	Confident	38 Å²	38	56.7 Å²	56.7	14%	0.144	29%	0.294	C	S	.	.			trans	-76	126.5	179.7	-175.6	-100.4	0	0	0	111.1	Y41 W697 V700 T701 I704 E799	Y41-W47 HydrophobicContact CD2-CB 4.2Å; Y41-W47 HydrophobicContact CD2-CE3 4.34Å; Y41-W47 HydrophobicContact CG-CE3 4.16Å; W47-W697 AromaticContact CE2-CZ2 3.98Å; W47-W697 HydrophobicContact CH2-CD2 4.16Å; W47-W697 AromaticContact CH2-CE2 3.93Å; W47-W697 HydrophobicContact CH2-CE3 4.04Å; W47-W697 AromaticContact CH2-CH2 3.5Å; W47-W697 HydrophobicContact CH2-CH2 3.5Å; W47-W697 VanDerWaalsContact CH2-CH2 3.5Å; W47-W697 AromaticContact CH2-CZ2 3.62Å; W47-W697 HydrophobicContact CH2-CZ2 3.62Å; W47-W697 AromaticContact CH2-CZ3 3.71Å; W47-W697 HydrophobicContact CH2-CZ3 3.71Å; W47-W697 AromaticContact CZ2-CD2 3.81Å; W47-W697 HydrophobicContact CZ2-CD2 3.81Å; W47-W697 AromaticContact CZ2-CE2 3.44Å; W47-W697 VanDerWaalsContact CZ2-CE2 3.44Å; W47-W697 HydrophobicContact CZ2-CE3 4.16Å; W47-W697 HydrophobicContact CZ2-CG 4.41Å; W47-W697 AromaticContact CZ2-CH2 3.9Å; W47-W697 HydrophobicContact CZ2-CH2 3.9Å; W47-W697 AromaticContact CZ2-CZ2 3.51Å; W47-W697 HydrophobicContact CZ2-CZ2 3.51Å; W47-W697 HydrophobicContact CZ2-CZ3 4.2Å; W47-W697 AromaticContact CZ2-NE1 3.82Å; W47-W697 HydrophobicContact CZ3-CH2 4.01Å; W47-W697 HydrophobicContact CZ3-CZ2 4.22Å; W47-V700 HydrophobicContact CH2-CB 4.39Å; W47-V700 HydrophobicContact CH2-CG1 3.6Å; W47-V700 HydrophobicContact CZ2-CB 4.03Å; W47-V700 HydrophobicContact CZ2-CG1 3.5Å; W47-V700 HydrophobicContact CZ3-CG1 4.3Å; W47-T701 PolarHBondContact NE1-OG1 3.21Å; W47-I704 HydrophobicContact CB-CG2 4.46Å; W47-I704 HydrophobicContact CD2-CD1 3.5Å; W47-I704 HydrophobicContact CE3-CD1 3.7Å; W47-I704 HydrophobicContact CG-CD1 3.87Å; W47-I704 HydrophobicContact CG-CG2 4.47Å; W47-I704 HydrophobicContact CZ2-CD1 4.35Å; W47-I704 HydrophobicContact CZ3-CD1 4.24Å; W47-E799 HydrophobicContact CZ3-CG 4.47Å
48	E	94.3	Very high	90	Very high	32 Å²	32	53.3 Å²	53.3	15%	0.15	27%	0.269	C	S	.	.			trans	-84.8	131.3	174.3	169	60.2	-113.4	0	0	110.4	A39 S50 T55 W697	A39-E48 WeakPolarHBondContact O-CB 3.46Å; E48-S50 VanDerWaalsContact CG-O 3.31Å; E48-S50 WeakPolarHBondContact CG-O 3.37Å; E48-S50 WeakPolarHBondContact OE1-CB 3.36Å; E48-S50 PolarHBondContact OE1-N 3.19Å; E48-S50 PolarHBondContact OE1-OG 3.44Å; E48-T55 HydrophobicContact CB-CG2 4.47Å; E48-T55 HydrophobicContact CG-CG2 3.82Å; E48-W697 HydrophobicContact CB-CZ2 4.37Å; E48-W697 WeakPolarHBondContact O-CZ2 3.15Å; E48-W697 PolarHBondContact O-NE1 3.06Å
49	K	92.3	Very high	91.6	Very high	135 Å²	135	48.6 Å²	48.6	59%	0.587	25%	0.251	S	S	*	.	S	Bend	trans	-83.8	-24.2	-175.1	-57.4	-172.2	-175.6	-160.5	0	112.5	T701 E705	K49-T701 HydrophobicContact CB-CG2 4.15Å; K49-T701 HydrophobicContact CG-CG2 4.11Å; K49-E705 VanDerWaalsContact CD-OE1 3.28Å; K49-E705 WeakPolarHBondContact CD-OE1 3.36Å; K49-E705 WeakPolarHBondContact CE-OE1 3.23Å; K49-E705 IonicContact NZ-OE1 3.39Å; K49-E705 PolarHBondContact NZ-OE1 3.46Å
50	S	91.1	Very high	92.6	Very high	43 Å²	43	47.8 Å²	47.8	30%	0.301	24%	0.243	S	C	.	.			trans	-106.7	124.7	-174.6	69.5	0	0	0	0	112.5	E48 T55	E48-S50 VanDerWaalsContact CG-O 3.31Å; E48-S50 WeakPolarHBondContact CG-O 3.37Å; E48-S50 WeakPolarHBondContact OE1-CB 3.36Å; E48-S50 PolarHBondContact OE1-N 3.19Å; E48-S50 PolarHBondContact OE1-OG 3.44Å; S50-T55 WeakPolarHBondContact O-CB 3.4Å; S50-T55 PolarHBondContact O-OG1 3.08Å
51	Y	93.9	Very high	92.8	Very high	12 Å²	12	53.4 Å²	53.4	5%	0.047	27%	0.273	C	S	.	.			trans	-103.1	80.6	174.6	-160.2	-110.5	0	0	0	111.3	T55 R56 V59 Q693 W697 V796	Y51-T55 HydrophobicContact CD2-CG2 3.95Å; Y51-T55 HydrophobicContact CE2-CG2 4.39Å; Y51-R56 HydrophobicContact CE1-CB 4.31Å; Y51-R56 HydrophobicContact CE1-CG 4.44Å; Y51-R56 HydrophobicContact CE2-CB 4.38Å; Y51-V59 HydrophobicContact CE2-CG2 4.32Å; Y51-Q693 HydrophobicContact CD1-CB 4.17Å; Y51-Q693 HydrophobicContact CE1-CB 3.95Å; Y51-W697 VanDerWaalsContact CB-CG 3.48Å; Y51-W697 AromaticContact CD2-CD2 3.52Å; Y51-W697 HydrophobicContact CD2-CD2 3.52Å; Y51-W697 AromaticContact CD2-CE2 3.99Å; Y51-W697 AromaticContact CD2-CE3 3.44Å; Y51-W697 HydrophobicContact CD2-CE3 3.44Å; Y51-W697 VanDerWaalsContact CD2-CE3 3.44Å; Y51-W697 HydrophobicContact CD2-CG 4.03Å; Y51-W697 HydrophobicContact CD2-CH2 4.28Å; Y51-W697 HydrophobicContact CD2-CZ2 4.35Å; Y51-W697 AromaticContact CD2-CZ3 3.85Å; Y51-W697 HydrophobicContact CD2-CZ3 3.85Å; Y51-W697 HydrophobicContact CE2-CD2 4.32Å; Y51-W697 AromaticContact CE2-CE3 3.77Å; Y51-W697 HydrophobicContact CE2-CE3 3.77Å; Y51-W697 AromaticContact CE2-CZ3 3.89Å; Y51-W697 HydrophobicContact CE2-CZ3 3.89Å; Y51-W697 HydrophobicContact CG-CB 4.05Å; Y51-W697 AromaticContact CG-CD2 3.93Å; Y51-W697 HydrophobicContact CG-CD2 3.93Å; Y51-W697 HydrophobicContact CG-CE3 4.13Å; Y51-W697 AromaticContact CG-CG 3.92Å; Y51-W697 HydrophobicContact CG-CG 3.92Å; Y51-V796 HydrophobicContact CE1-CG2 4.07Å; Y51-V796 HydrophobicContact CE2-CG2 4.05Å; Y51-V796 WeakPolarHBondContact OH-CB 3.32Å; Y51-V796 WeakPolarHBondContact OH-CG2 3.44Å
52	G	91.4	Very high	92.9	Very high	23 Å²	23	54.6 Å²	54.6	24%	0.237	28%	0.277	C	S	.	.			trans	-102.2	-176.9	173.5	0	0	0	0	0	112.6	E54 T55 R56	G52-E54 VanDerWaalsContact C-N 3.3Å; G52-E54 PolarHBondContact O-N 3.26Å; G52-T55 PolarHBondContact O-N 2.91Å; G52-R56 WeakPolarHBondContact O-CB 3.29Å; G52-R56 PolarHBondContact O-N 2.89Å
53	L	89.9	Confident	93	Very high	71 Å²	71	53.9 Å²	53.9	37%	0.372	27%	0.272	S	S	.	.	H	α-helix	trans	-55.1	-43	-179.8	-179.6	59.3	0	0	0	112.9	R56 K57 E657	L53-R56 PolarHBondContact O-N 3.11Å; L53-K57 HydrophobicContact CD1-CD 4.39Å; L53-K57 HydrophobicContact CD1-CG 4.37Å; L53-K57 HydrophobicContact CG-CD 4.35Å; L53-K57 WeakPolarHBondContact O-CG 3.16Å; L53-K57 PolarHBondContact O-N 2.88Å; L53-E657 WeakPolarHBondContact CD1-O 3.41Å
54	E	91.1	Very high	93.1	Very high	106 Å²	106	52.2 Å²	52.2	50%	0.495	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-48.6	-179.9	-170.7	59.1	-161.1	0	0	111.7	G52 R56 K57 R58	G52-E54 VanDerWaalsContact C-N 3.3Å; G52-E54 PolarHBondContact O-N 3.26Å; E54-R56 VanDerWaalsContact C-N 3.3Å; E54-R56 PolarHBondContact O-N 3.39Å; E54-K57 PolarHBondContact O-N 2.82Å; E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.26Å
55	T	93.7	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-46.5	175.1	-44.3	0	0	0	0	110.8	I40 E48 S50 Y51 G52 K57 R58 V59 W697	I40-T55 HydrophobicContact CG2-CG2 4.25Å; E48-T55 HydrophobicContact CB-CG2 4.47Å; E48-T55 HydrophobicContact CG-CG2 3.82Å; S50-T55 WeakPolarHBondContact O-CB 3.4Å; S50-T55 PolarHBondContact O-OG1 3.08Å; Y51-T55 HydrophobicContact CD2-CG2 3.95Å; Y51-T55 HydrophobicContact CE2-CG2 4.39Å; G52-T55 PolarHBondContact O-N 2.91Å; T55-K57 PolarHBondContact O-N 2.82Å; T55-R58 PolarHBondContact O-N 2.8Å; T55-V59 WeakPolarHBondContact O-CB 3.49Å; T55-V59 WeakPolarHBondContact O-CG2 3.43Å; T55-V59 PolarHBondContact O-N 3.47Å; T55-W697 HydrophobicContact CG2-CZ2 4.34Å
56	R	93.9	Very high	93.3	Very high	8 Å²	8	55.1 Å²	55.1	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-49.6	177.1	-176.8	-171.9	-61.6	131	1.6	111.6	Y51 G52 L53 E54 R58 V59 E60 Y658 T662 Q693	Y51-R56 HydrophobicContact CE1-CB 4.31Å; Y51-R56 HydrophobicContact CE1-CG 4.44Å; Y51-R56 HydrophobicContact CE2-CB 4.38Å; G52-R56 WeakPolarHBondContact O-CB 3.29Å; G52-R56 PolarHBondContact O-N 2.89Å; L53-R56 PolarHBondContact O-N 3.11Å; E54-R56 VanDerWaalsContact C-N 3.3Å; E54-R56 PolarHBondContact O-N 3.39Å; R56-R58 VanDerWaalsContact C-N 3.32Å; R56-R58 PolarHBondContact O-N 2.74Å; R56-V59 PolarHBondContact O-N 3Å; R56-E60 WeakPolarHBondContact CG-OE1 3.47Å; R56-E60 WeakPolarHBondContact O-CB 3.44Å; R56-E60 WeakPolarHBondContact O-CG 3.45Å; R56-E60 PolarHBondContact O-N 2.95Å; R56-Y658 WeakPolarHBondContact CD-O 3.3Å; R56-Y658 VanDerWaalsContact CZ-O 3.29Å; R56-Y658 PolarHBondContact NE-O 3.44Å; R56-Y658 PolarHBondContact NH1-O 2.93Å; R56-T662 WeakPolarHBondContact CD-OG1 3.45Å; R56-T662 VanDerWaalsContact CZ-OG1 3.31Å; R56-T662 PolarHBondContact NE-OG1 3.08Å; R56-T662 VanDerWaalsContact NE-OG1 3.08Å; R56-Q693 VanDerWaalsContact NH2-OE1 3.09Å
57	K	93.1	Very high	93.3	Very high	66 Å²	66	47.9 Å²	47.9	29%	0.287	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-41.1	177.9	-76.7	178.9	175.6	176.9	0	112.1	L53 E54 T55 E60 N61 K656	L53-K57 HydrophobicContact CD1-CD 4.39Å; L53-K57 HydrophobicContact CD1-CG 4.37Å; L53-K57 HydrophobicContact CG-CD 4.35Å; L53-K57 WeakPolarHBondContact O-CG 3.16Å; L53-K57 PolarHBondContact O-N 2.88Å; E54-K57 PolarHBondContact O-N 2.82Å; T55-K57 PolarHBondContact O-N 2.82Å; K57-E60 PolarHBondContact O-N 2.71Å; K57-N61 VanDerWaalsContact O-CB 3.32Å; K57-N61 WeakPolarHBondContact O-CB 3.42Å; K57-N61 PolarHBondContact O-N 2.73Å; K57-N61 PolarHBondContact O-ND2 3.09Å; K57-K656 WeakPolarHBondContact CE-O 3.22Å; K57-K656 PolarHBondContact NZ-O 2.99Å
58	R	94.2	Very high	93	Very high	49 Å²	49	49.1 Å²	49.1	19%	0.185	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-43.1	177.6	-66	-167.7	80	-163.7	3.8	112.2	R38 I40 E43 E54 T55 R56 N61 W62	R38-R58 WeakPolarHBondContact O-CD 3.24Å; R38-R58 PolarHBondContact O-NH1 3.49Å; I40-R58 HydrophobicContact CG2-CB 3.92Å; E43-R58 IonicContact OE1-CZ 2.63Å; E43-R58 IonicContact OE1-NH2 2.71Å; E43-R58 PolarHBondContact OE1-NH2 3.5Å; E43-R58 IonicContact OE2-CZ 3.09Å; E43-R58 IonicContact OE2-NH1 3.92Å; E43-R58 IonicContact OE2-NH2 3.67Å; E43-R58 PolarHBondContact OE2-NH2 3.23Å; E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.26Å; T55-R58 PolarHBondContact O-N 2.8Å; R56-R58 VanDerWaalsContact C-N 3.32Å; R56-R58 PolarHBondContact O-N 2.74Å; R58-N61 PolarHBondContact O-N 3.19Å; R58-W62 WeakPolarHBondContact O-CB 3.33Å; R58-W62 PolarHBondContact O-N 3.29Å
59	V	96.5	Very high	92.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-50.8	173.1	165	0	0	0	0	110.6	I40 Y51 T55 R56 W62 W63 W697 H795 E799	I40-V59 HydrophobicContact CB-CG2 4.43Å; I40-V59 HydrophobicContact CD1-CG2 4.48Å; I40-V59 HydrophobicContact CG2-CG2 3.78Å; Y51-V59 HydrophobicContact CE2-CG2 4.32Å; T55-V59 WeakPolarHBondContact O-CB 3.49Å; T55-V59 WeakPolarHBondContact O-CG2 3.43Å; T55-V59 PolarHBondContact O-N 3.47Å; R56-V59 PolarHBondContact O-N 3Å; V59-W62 PolarHBondContact O-N 2.63Å; V59-W63 VanDerWaalsContact O-CD1 3.3Å; V59-W63 PolarHBondContact O-N 2.86Å; V59-W697 HydrophobicContact CG2-CH2 4.34Å; V59-W697 HydrophobicContact CG2-CZ3 4.45Å; V59-H795 HydrophobicContact CG1-CB 4.2Å; V59-H795 WeakPolarHBondContact CG1-O 3.39Å; V59-E799 HydrophobicContact CG1-CB 3.82Å; V59-E799 HydrophobicContact CG1-CG 4.45Å; V59-E799 HydrophobicContact CG2-CB 4.04Å; V59-E799 HydrophobicContact CG2-CG 3.73Å
60	E	95.1	Very high	92.2	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-50.9	178.4	-72.4	173.9	-176.5	0	0	110.9	R56 K57 W62 W63 F64 G659 I660 D661 H795	R56-E60 WeakPolarHBondContact CG-OE1 3.47Å; R56-E60 WeakPolarHBondContact O-CB 3.44Å; R56-E60 WeakPolarHBondContact O-CG 3.45Å; R56-E60 PolarHBondContact O-N 2.95Å; K57-E60 PolarHBondContact O-N 2.71Å; E60-W62 VanDerWaalsContact C-N 3.27Å; E60-W62 PolarHBondContact O-N 2.82Å; E60-W63 PolarHBondContact O-N 3.18Å; E60-F64 WeakPolarHBondContact O-CA 3.44Å; E60-F64 WeakPolarHBondContact O-CB 3.33Å; E60-F64 PolarHBondContact O-N 2.66Å; E60-G659 VanDerWaalsContact OE1-C 3.32Å; E60-G659 WeakPolarHBondContact OE1-CA 3.11Å; E60-G659 WeakPolarHBondContact OE2-CA 3.48Å; E60-I660 HydrophobicContact CG-CB 4.46Å; E60-I660 PolarHBondContact OE1-N 3.46Å; E60-I660 PolarHBondContact OE2-N 3.35Å; E60-D661 PolarHBondContact OE1-N 3.42Å; E60-D661 VanDerWaalsContact OE1-N 3.11Å; E60-H795 HydrophobicContact CG-CB 3.9Å
61	N	94.1	Very high	91.7	Very high	120 Å²	120	44.9 Å²	44.9	64%	0.642	22%	0.217	S	C	*	.	H	α-helix	trans	-58.7	-36.6	179	-71.9	-19.3	0	0	0	113.3	K57 R58 P65	K57-N61 VanDerWaalsContact O-CB 3.32Å; K57-N61 WeakPolarHBondContact O-CB 3.42Å; K57-N61 PolarHBondContact O-N 2.73Å; K57-N61 PolarHBondContact O-ND2 3.09Å; R58-N61 PolarHBondContact O-N 3.19Å; N61-P65 WeakPolarHBondContact O-CD 3.42Å
62	W	95.2	Very high	90.5	Very high	69 Å²	69	46.8 Å²	46.8	26%	0.261	23%	0.232	S	C	.	.	H	α-helix	trans	-72.3	-48.1	178.6	178.1	-89.2	0	0	0	112.5	I40 S42 E43 R58 V59 E60 R66	I40-W62 HydrophobicContact CD1-CB 3.49Å; I40-W62 VanDerWaalsContact CD1-CB 3.49Å; I40-W62 HydrophobicContact CD1-CD2 4.38Å; I40-W62 HydrophobicContact CD1-CG 3.79Å; S42-W62 WeakPolarHBondContact O-CH2 3.26Å; S42-W62 WeakPolarHBondContact O-CZ2 3.32Å; E43-W62 HydrophobicContact CB-CE3 3.97Å; E43-W62 HydrophobicContact CB-CH2 4.35Å; E43-W62 HydrophobicContact CB-CZ3 3.86Å; E43-W62 HydrophobicContact CG-CE3 4.29Å; E43-W62 HydrophobicContact CG-CZ3 3.95Å; R58-W62 WeakPolarHBondContact O-CB 3.33Å; R58-W62 PolarHBondContact O-N 3.29Å; V59-W62 PolarHBondContact O-N 2.63Å; E60-W62 VanDerWaalsContact C-N 3.27Å; E60-W62 PolarHBondContact O-N 2.82Å; W62-R66 VanDerWaalsContact CZ2-NH2 3.28Å; W62-R66 PolarHBondContact O-NH1 2.77Å
63	W	95.4	Very high	89.4	Confident	6 Å²	6	54.5 Å²	54.5	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-83.4	-27.7	-172.8	-75.4	105.7	0	0	0	113.7	S42 V59 E60 R66 I67 H795 S798 E799 K802	S42-W63 WeakPolarHBondContact OG-CZ2 3.38Å; V59-W63 VanDerWaalsContact O-CD1 3.3Å; V59-W63 PolarHBondContact O-N 2.86Å; E60-W63 PolarHBondContact O-N 3.18Å; W63-R66 HydrophobicContact CE3-CB 4.31Å; W63-R66 WeakPolarHBondContact O-CB 3.38Å; W63-R66 PolarHBondContact O-N 3.26Å; W63-I67 HydrophobicContact CB-CD1 3.73Å; W63-I67 HydrophobicContact CB-CG1 4.36Å; W63-I67 WeakPolarHBondContact O-CG1 3.46Å; W63-I67 PolarHBondContact O-N 3.45Å; W63-H795 HydrophobicContact CB-CB 4.45Å; W63-S798 WeakPolarHBondContact CZ2-O 3.26Å; W63-E799 PolarHBondContact NE1-OE2 3.44Å; W63-K802 HydrophobicContact CH2-CB 4.3Å; W63-K802 HydrophobicContact CH2-CD 4.37Å; W63-K802 HydrophobicContact CZ2-CB 3.83Å; W63-K802 HydrophobicContact CZ2-CG 4.22Å
64	F	93.8	Very high	88.2	Confident	52 Å²	52	52.8 Å²	52.8	23%	0.228	25%	0.245	C	C	.	.	H	α-helix	trans	-46.4	-57.4	-178	176.4	-90.1	0	0	0	114.3	E60 R66 I67 K68 D162 I660 H795	E60-F64 WeakPolarHBondContact O-CA 3.44Å; E60-F64 WeakPolarHBondContact O-CB 3.33Å; E60-F64 PolarHBondContact O-N 2.66Å; F64-R66 VanDerWaalsContact C-N 3.27Å; F64-R66 PolarHBondContact O-N 3.47Å; F64-I67 PolarHBondContact O-N 3.35Å; F64-K68 PolarHBondContact O-N 3.38Å; F64-K68 VanDerWaalsContact O-N 3.11Å; F64-D162 WeakPolarHBondContact CE2-O 3.36Å; F64-D162 WeakPolarHBondContact CZ-O 3.47Å; F64-I660 HydrophobicContact CD2-CD1 4.24Å; F64-H795 AromaticContact CD2-NE2 3.91Å
65	P	92.4	Very high	86.7	Confident	68 Å²	68	50.6 Å²	50.6	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-30.8	-178.5	26.1	-34.6	0	0	0	112.7	N61 D69	N61-P65 WeakPolarHBondContact O-CD 3.42Å; P65-D69 PolarHBondContact O-N 2.66Å; P65-D69 VanDerWaalsContact O-N 3.13Å
66	R	92.3	Very high	85.1	Confident	98 Å²	98	56.2 Å²	56.2	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-72.5	-46.7	-179.6	-66.5	170.4	171.6	76.8	2.1	111.2	W62 W63 F64 K68 D69 Q70	W62-R66 VanDerWaalsContact CZ2-NH2 3.28Å; W62-R66 PolarHBondContact O-NH1 2.77Å; W63-R66 HydrophobicContact CE3-CB 4.31Å; W63-R66 WeakPolarHBondContact O-CB 3.38Å; W63-R66 PolarHBondContact O-N 3.26Å; F64-R66 VanDerWaalsContact C-N 3.27Å; F64-R66 PolarHBondContact O-N 3.47Å; R66-K68 VanDerWaalsContact C-N 3.26Å; R66-K68 PolarHBondContact O-N 2.99Å; R66-D69 PolarHBondContact O-N 3.42Å; R66-Q70 WeakPolarHBondContact O-CG 3.19Å; R66-Q70 PolarHBondContact O-N 3.48Å
67	I	92.3	Very high	83.2	Confident	5 Å²	5	62 Å²	62	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-40.4	176.5	-69.3	163.3	0	0	0	110.4	W63 F64 Q70 F71 P794 H795 L822	W63-I67 HydrophobicContact CB-CD1 3.73Å; W63-I67 HydrophobicContact CB-CG1 4.36Å; W63-I67 WeakPolarHBondContact O-CG1 3.46Å; W63-I67 PolarHBondContact O-N 3.45Å; F64-I67 PolarHBondContact O-N 3.35Å; I67-Q70 PolarHBondContact O-N 3.04Å; I67-F71 PolarHBondContact O-N 3.25Å; I67-F71 VanDerWaalsContact O-N 3.14Å; I67-P794 HydrophobicContact CD1-CB 3.98Å; I67-P794 HydrophobicContact CG2-CB 4.47Å; I67-H795 HydrophobicContact CD1-CB 4.46Å; I67-L822 HydrophobicContact CB-CD1 4.41Å; I67-L822 HydrophobicContact CG1-CD1 4.02Å; I67-L822 HydrophobicContact CG2-CD1 3.8Å
68	K	87.7	Confident	82	Confident	64 Å²	64	61.6 Å²	61.6	28%	0.278	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-50.5	176.3	-176.3	172.4	173.1	170.4	0	111.5	F64 R66 Q70 F71 C72 D162	F64-K68 PolarHBondContact O-N 3.38Å; F64-K68 VanDerWaalsContact O-N 3.11Å; R66-K68 VanDerWaalsContact C-N 3.26Å; R66-K68 PolarHBondContact O-N 2.99Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-Q70 PolarHBondContact O-N 3.33Å; K68-F71 PolarHBondContact O-N 3.4Å; K68-C72 PolarHBondContact O-N 2.99Å; K68-C72 PolarHBondContact O-SG 2.68Å; K68-C72 VanDerWaalsContact O-SG 3.41Å; K68-D162 IonicContact NZ-OD1 2.7Å; K68-D162 PolarHBondContact NZ-OD1 3.11Å; K68-D162 IonicContact NZ-OD2 2.88Å; K68-D162 PolarHBondContact NZ-OD2 3.34Å
69	D	85.5	Confident	80.8	Confident	80 Å²	80	65.9 Å²	65.9	43%	0.428	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-42.3	178	-177.7	70.1	0	0	0	112.6	P65 R66 F71 C72 R73	P65-D69 PolarHBondContact O-N 2.66Å; P65-D69 VanDerWaalsContact O-N 3.13Å; R66-D69 PolarHBondContact O-N 3.42Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 2.91Å; D69-C72 PolarHBondContact O-N 3.08Å; D69-R73 IonicContact OD2-CZ 3.87Å; D69-R73 IonicContact OD2-NE 3.74Å; D69-R73 PolarHBondContact OD2-NE 3.45Å; D69-R73 IonicContact OD2-NH2 3.85Å; D69-R73 PolarHBondContact OD2-NH2 2.77Å
70	Q	83	Confident	80	Confident	32 Å²	32	70.6 Å²	70.6	15%	0.15	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-35.6	177.7	-69.9	173.3	11.3	0	0	112.5	R66 I67 K68 D820 H823	R66-Q70 WeakPolarHBondContact O-CG 3.19Å; R66-Q70 PolarHBondContact O-N 3.48Å; I67-Q70 PolarHBondContact O-N 3.04Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-Q70 PolarHBondContact O-N 3.33Å; Q70-D820 PolarHBondContact NE2-OD2 3.41Å; Q70-H823 VanDerWaalsContact CD-CE1 3.41Å; Q70-H823 VanDerWaalsContact CG-CE1 3.48Å; Q70-H823 WeakPolarHBondContact CG-CE1 3.36Å
71	F	81.8	Confident	79.5	Confident	8 Å²	8	75 Å²	75	4%	0.035	37%	0.374	C	S	.	.	H	α-helix	trans	-73.4	-34.4	-179.1	-165.6	-88.9	0	0	0	112.9	I67 K68 D69 R73 A112 R113 K116 N124 S167	I67-F71 PolarHBondContact O-N 3.25Å; I67-F71 VanDerWaalsContact O-N 3.14Å; K68-F71 PolarHBondContact O-N 3.4Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 2.91Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 3.47Å; F71-A112 HydrophobicContact CE2-CB 4.1Å; F71-A112 HydrophobicContact CZ-CB 3.99Å; F71-R113 HydrophobicContact CE2-CG 4.45Å; F71-K116 HydrophobicContact CD2-CD 4.11Å; F71-K116 VanDerWaalsContact CD2-NZ 3.31Å; F71-K116 HydrophobicContact CE2-CD 3.96Å; F71-K116 PolarHBondContact O-NZ 2.95Å; F71-N124 HydrophobicContact CZ-CB 4.2Å; F71-S167 WeakPolarHBondContact CE1-O 3.41Å; F71-S167 WeakPolarHBondContact CZ-O 3.4Å
72	C	69.4	Low	79.4	Confident	53 Å²	53	73.1 Å²	73.1	36%	0.358	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7	-173.8	-69.4	0	0	0	0	115.2	K68 D69 I74	K68-C72 PolarHBondContact O-N 2.99Å; K68-C72 PolarHBondContact O-SG 2.68Å; K68-C72 VanDerWaalsContact O-SG 3.41Å; D69-C72 PolarHBondContact O-N 3.08Å; C72-I74 PolarHBondContact O-N 2.84Å
73	R	67	Low	79.4	Confident	185 Å²	185	71.6 Å²	71.6	70%	0.698	36%	0.364	S	S	*	.			trans	-86.9	86.3	-178.3	-60.5	-179.6	-170.5	-170.7	2	111.2	D69 F71	D69-R73 IonicContact OD2-CZ 3.87Å; D69-R73 IonicContact OD2-NE 3.74Å; D69-R73 PolarHBondContact OD2-NE 3.45Å; D69-R73 IonicContact OD2-NH2 3.85Å; D69-R73 PolarHBondContact OD2-NH2 2.77Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 3.47Å
74	I	65.3	Low	79.4	Confident	35 Å²	35	72.4 Å²	72.4	18%	0.179	37%	0.367	C	S	.	.			trans	-94.6	126	168	-58.2	-174	0	0	0	109	C72 E76 I123 T169 E171	C72-I74 PolarHBondContact O-N 2.84Å; I74-E76 HydrophobicContact CG2-CG 4.24Å; I74-I123 HydrophobicContact CD1-CG2 4.09Å; I74-T169 HydrophobicContact CD1-CG2 3.43Å; I74-T169 VanDerWaalsContact CD1-CG2 3.43Å; I74-E171 WeakPolarHBondContact CD1-OE1 3.48Å
75	S	60.3	Low	79.6	Confident	60 Å²	60	69.9 Å²	69.9	42%	0.42	36%	0.356	S	S	.	.			trans	-90.4	99	167.9	-176.7	0	0	0	0	109.3	T77 Q121	S75-T77 PolarHBondContact O-N 3.17Å; S75-T77 PolarHBondContact OG-OG1 2.83Å; S75-Q121 PolarHBondContact O-NE2 3.24Å
76	E	58.2	Low	79.9	Confident	118 Å²	118	66.7 Å²	66.7	55%	0.551	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.7	177.7	-59.3	-168.4	152.9	0	0	113.4	I74 R172	I74-E76 HydrophobicContact CG2-CG 4.24Å; E76-R172 IonicContact OE1-CZ 3.05Å; E76-R172 IonicContact OE1-NH2 3.34Å; E76-R172 PolarHBondContact OE1-NH2 2.91Å
77	T	54.9	Low	80.2	Confident	130 Å²	130	62 Å²	62	80%	0.798	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-19.4	-176.2	57.9	0	0	0	0	113.6	S75 K79	S75-T77 PolarHBondContact O-N 3.17Å; S75-T77 PolarHBondContact OG-OG1 2.83Å; T77-K79 PolarHBondContact O-N 3.2Å
78	D	67.8	Low	80.4	Confident	56 Å²	56	61.8 Å²	61.8	30%	0.299	32%	0.317	S	S	.	.			trans	-94.1	76.5	-173.6	-177.8	15.1	0	0	0	113.5	S80 R81 Q121	D78-S80 PolarHBondContact O-N 3.41Å; D78-S80 VanDerWaalsContact OD1-CB 3.24Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 2.82Å; D78-S80 VanDerWaalsContact OD1-N 3.13Å; D78-S80 PolarHBondContact OD1-OG 2.97Å; D78-R81 VanDerWaalsContact OD2-CD 3.27Å; D78-R81 WeakPolarHBondContact OD2-CD 3.46Å; D78-Q121 PolarHBondContact O-NE2 2.92Å
79	K	69.8	Low	80.8	Confident	139 Å²	139	59.8 Å²	59.8	60%	0.604	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	1.9	176.1	-62.3	-173.2	-179.6	-176.2	0	114.5	T77 R81 Y550	T77-K79 PolarHBondContact O-N 3.2Å; K79-R81 VanDerWaalsContact C-N 3.29Å; K79-R81 PolarHBondContact O-N 2.95Å; K79-Y550 HydrophobicContact CG-CE2 4.43Å
80	S	79.7	Confident	81.3	Confident	99 Å²	99	56.7 Å²	56.7	69%	0.692	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-20	179.8	76.6	0	0	0	0	113.4	D78	D78-S80 PolarHBondContact O-N 3.41Å; D78-S80 VanDerWaalsContact OD1-CB 3.24Å; D78-S80 WeakPolarHBondContact OD1-CB 3.47Å; D78-S80 PolarHBondContact OD1-N 2.82Å; D78-S80 VanDerWaalsContact OD1-N 3.13Å; D78-S80 PolarHBondContact OD1-OG 2.97Å
81	R	84.1	Confident	81.8	Confident	97 Å²	97	55.3 Å²	55.3	37%	0.366	29%	0.285	S	S	.	.	S	Bend	trans	-92.3	142.7	-178.7	-67.4	172.5	63.3	177.8	-1.6	111.4	D78 K79 G119 M120 Q121	D78-R81 VanDerWaalsContact OD2-CD 3.27Å; D78-R81 WeakPolarHBondContact OD2-CD 3.46Å; K79-R81 VanDerWaalsContact C-N 3.29Å; K79-R81 PolarHBondContact O-N 2.95Å; R81-G119 PolarHBondContact NE-O 2.73Å; R81-G119 VanDerWaalsContact NH2-C 3.3Å; R81-G119 PolarHBondContact NH2-O 3.33Å; R81-G119 VanDerWaalsContact NH2-O 3.11Å; R81-M120 PolarHBondContact NH2-O 2.87Å; R81-Q121 HydrophobicContact CB-CG 3.68Å
82	P	92.1	Very high	82.2	Confident	81 Å²	81	57.9 Å²	57.9	53%	0.526	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-65.2	142.4	175.2	28	-34.1	0	0	0	110.8	M120 Q121	P82-M120 HydrophobicContact CB-CE 4.18Å; P82-M120 HydrophobicContact CG-CE 4.44Å; P82-M120 HydrophobicContact CG-CG 4.29Å; P82-M120 CarbonylContact O-C 3.6Å; P82-M120 VanDerWaalsContact O-CA 3.26Å; P82-M120 WeakPolarHBondContact O-CA 3.46Å; P82-M120 WeakPolarHBondContact O-CB 3.39Å; P82-Q121 PolarHBondContact O-N 2.9Å
83	K	93.9	Very high	83.2	Confident	38 Å²	38	55.4 Å²	55.4	17%	0.165	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	153.1	179	71.6	90.5	177.3	173.8	0	112.4	M120 Q121 Y550 W551 P553 D555	K83-M120 VanDerWaalsContact O-CE 3.22Å; K83-M120 WeakPolarHBondContact O-CE 3.28Å; K83-Q121 CarbonylContact C-O 3.18Å; K83-Q121 WeakPolarHBondContact CA-O 3.42Å; K83-Y550 HydrophobicContact CB-CE1 4.09Å; K83-W551 HydrophobicContact CB-CE3 3.99Å; K83-W551 HydrophobicContact CB-CZ3 3.78Å; K83-W551 HydrophobicContact CD-CE3 4.35Å; K83-W551 VanDerWaalsContact CE-O 3.25Å; K83-W551 WeakPolarHBondContact CE-O 3.24Å; K83-W551 PolarHBondContact NZ-O 3.13Å; K83-P553 PolarHBondContact NZ-O 2.77Å; K83-D555 WeakPolarHBondContact CD-OD2 3.42Å; K83-D555 IonicContact NZ-OD1 2.64Å; K83-D555 PolarHBondContact NZ-OD1 3.19Å; K83-D555 IonicContact NZ-OD2 2.76Å; K83-D555 PolarHBondContact NZ-OD2 2.54Å
84	F	96.6	Very high	83.5	Confident	22 Å²	22	48.7 Å²	48.7	10%	0.096	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	118.8	165.8	-159.3	-94.1	0	0	0	110.2	V86 V111 Q115 M120 Q121 V122 I123 D555 L556	F84-V86 HydrophobicContact CD1-CB 4.16Å; F84-V86 HydrophobicContact CE1-CB 3.94Å; F84-V111 HydrophobicContact CE1-CG1 3.71Å; F84-V111 HydrophobicContact CZ-CG1 4.28Å; F84-Q115 HydrophobicContact CB-CB 4.24Å; F84-Q115 HydrophobicContact CB-CG 4.41Å; F84-Q115 HydrophobicContact CD1-CB 4.19Å; F84-Q115 HydrophobicContact CD1-CG 3.66Å; F84-Q115 HydrophobicContact CD2-CG 4.12Å; F84-Q115 VanDerWaalsContact CD2-NE2 3.32Å; F84-Q115 HydrophobicContact CE1-CG 3.84Å; F84-Q115 HydrophobicContact CE2-CG 4.31Å; F84-Q115 HydrophobicContact CG-CB 4.15Å; F84-Q115 HydrophobicContact CG-CG 3.79Å; F84-Q115 HydrophobicContact CZ-CG 4.17Å; F84-M120 HydrophobicContact CB-CB 4.3Å; F84-M120 HydrophobicContact CB-CE 3.87Å; F84-M120 HydrophobicContact CB-SD 3.96Å; F84-M120 HydrophobicContact CD2-CE 3.88Å; F84-M120 HydrophobicContact CD2-SD 4.02Å; F84-M120 HydrophobicContact CG-CE 4.34Å; F84-M120 HydrophobicContact CG-SD 4.26Å; F84-Q121 PolarHBondContact N-O 2.93Å; F84-V122 HydrophobicContact CB-CG2 4.23Å; F84-V122 VanDerWaalsContact O-CA 3.28Å; F84-V122 WeakPolarHBondContact O-CA 3.43Å; F84-I123 PolarHBondContact O-N 2.9Å; F84-I123 VanDerWaalsContact O-N 3.12Å; F84-D555 WeakPolarHBondContact CA-OD2 3.43Å; F84-D555 HydrophobicContact CD2-CB 3.86Å; F84-D555 HydrophobicContact CE1-CB 4.35Å; F84-D555 HydrophobicContact CE2-CB 3.62Å; F84-D555 HydrophobicContact CG-CB 4.32Å; F84-D555 HydrophobicContact CZ-CB 3.91Å; F84-L556 HydrophobicContact CE1-CB 4.28Å; F84-L556 HydrophobicContact CZ-CB 4.13Å
85	Y	97.8	Very high	84.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	101.4	175.3	-171.8	4.6	0	0	0	109.1	L87 I123 P125 Y530 Y533 T534 W551 M552 V554 D555 L556	Y85-L87 HydrophobicContact CD1-CB 4.31Å; Y85-L87 HydrophobicContact CE1-CB 3.87Å; Y85-L87 HydrophobicContact CE1-CD1 4.36Å; Y85-L87 HydrophobicContact CE1-CD2 4.44Å; Y85-L87 HydrophobicContact CE1-CG 4.46Å; Y85-I123 HydrophobicContact CD1-CB 4.48Å; Y85-I123 HydrophobicContact CD1-CD1 3.41Å; Y85-I123 VanDerWaalsContact CD1-CD1 3.41Å; Y85-I123 HydrophobicContact CD1-CG1 3.38Å; Y85-I123 HydrophobicContact CD2-CD1 3.71Å; Y85-I123 HydrophobicContact CD2-CG1 4.4Å; Y85-I123 HydrophobicContact CE1-CD1 3.58Å; Y85-I123 HydrophobicContact CE1-CG1 3.91Å; Y85-I123 HydrophobicContact CE2-CD1 3.87Å; Y85-I123 HydrophobicContact CG-CD1 3.47Å; Y85-I123 VanDerWaalsContact CG-CD1 3.47Å; Y85-I123 HydrophobicContact CG-CG1 3.65Å; Y85-P125 HydrophobicContact CE1-CG 3.61Å; Y85-Y530 PolarHBondContact OH-O 3.37Å; Y85-Y530 VanDerWaalsContact OH-O 3.13Å; Y85-Y533 WeakPolarHBondContact OH-CB 3.22Å; Y85-Y533 WeakPolarHBondContact OH-CD2 3.11Å; Y85-T534 HydrophobicContact CE2-CG2 4.49Å; Y85-W551 HydrophobicContact CD2-CB 4.48Å; Y85-M552 HydrophobicContact CD2-SD 4.14Å; Y85-M552 HydrophobicContact CE2-SD 3.93Å; Y85-V554 HydrophobicContact CD2-CB 4.25Å; Y85-V554 HydrophobicContact CD2-CG2 3.71Å; Y85-V554 HydrophobicContact CE2-CG2 3.65Å; Y85-V554 HydrophobicContact CG-CB 4.47Å; Y85-V554 HydrophobicContact CG-CG1 4.39Å; Y85-V554 HydrophobicContact CG-CG2 4.27Å; Y85-V554 WeakPolarHBondContact O-CG1 3.24Å; Y85-D555 PolarHBondContact N-OD2 3.13Å; Y85-D555 PolarHBondContact O-N 3.41Å; Y85-L556 PolarHBondContact O-N 2.89Å
86	V	98	Very high	85.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.2	169.5	59.5	0	0	0	0	108.9	F84 V111 A112 V122 I123 N124 L556 I558	F84-V86 HydrophobicContact CD1-CB 4.16Å; F84-V86 HydrophobicContact CE1-CB 3.94Å; V86-V111 HydrophobicContact CB-CG1 4.46Å; V86-V111 HydrophobicContact CG2-CB 4.41Å; V86-V111 HydrophobicContact CG2-CG1 4.22Å; V86-A112 HydrophobicContact CG1-CB 3.9Å; V86-V122 HydrophobicContact CG1-CG1 4.23Å; V86-I123 PolarHBondContact N-O 3.25Å; V86-I123 VanDerWaalsContact N-O 3.15Å; V86-N124 HydrophobicContact CG1-CB 3.76Å; V86-L556 WeakPolarHBondContact CA-O 3.27Å; V86-L556 HydrophobicContact CG2-CB 4.43Å; V86-L556 HydrophobicContact CG2-CD2 4.23Å; V86-I558 HydrophobicContact CG2-CD1 3.79Å
87	L	98.4	Very high	86.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	124.5	-177.5	178.1	65.5	0	0	0	110.3	Y85 P125 Y529 Y533 V554 L556 Y557 I558	Y85-L87 HydrophobicContact CD1-CB 4.31Å; Y85-L87 HydrophobicContact CE1-CB 3.87Å; Y85-L87 HydrophobicContact CE1-CD1 4.36Å; Y85-L87 HydrophobicContact CE1-CD2 4.44Å; Y85-L87 HydrophobicContact CE1-CG 4.46Å; L87-P125 HydrophobicContact CD1-CG 3.86Å; L87-Y529 HydrophobicContact CD1-CE2 4.31Å; L87-Y529 HydrophobicContact CD2-CE2 4.3Å; L87-Y533 HydrophobicContact CD1-CD2 3.98Å; L87-Y533 HydrophobicContact CD1-CE2 3.72Å; L87-V554 HydrophobicContact CB-CG1 3.72Å; L87-V554 HydrophobicContact CB-CG2 4.49Å; L87-V554 HydrophobicContact CD2-CG2 4.05Å; L87-L556 PolarHBondContact N-O 3.33Å; L87-Y557 HydrophobicContact CB-CD2 3.93Å; L87-Y557 HydrophobicContact CB-CE2 4.32Å; L87-Y557 HydrophobicContact CD2-CD2 3.79Å; L87-Y557 HydrophobicContact CD2-CE2 3.54Å; L87-Y557 HydrophobicContact CG-CD2 3.8Å; L87-Y557 HydrophobicContact CG-CE2 3.67Å; L87-Y557 CarbonylContact O-C 3.51Å; L87-Y557 WeakPolarHBondContact O-CA 3.48Å; L87-Y557 WeakPolarHBondContact O-CD2 3.49Å; L87-I558 PolarHBondContact O-N 3.23Å
88	S	97.4	Very high	88.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.8	165.8	-61.4	0	0	0	0	110.1	F90 S108 I558	S88-F90 PolarHBondContact O-N 2.72Å; S88-F90 VanDerWaalsContact O-N 3.08Å; S88-S108 WeakPolarHBondContact OG-CB 3.42Å; S88-S108 PolarHBondContact OG-OG 3.06Å; S88-I558 WeakPolarHBondContact CA-O 3.49Å
89	M	96.3	Very high	89.4	Confident	22 Å²	22	37.1 Å²	37.1	11%	0.108	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-51.7	118.4	164.3	-74.3	175.5	-177.1	0	0	109.7	Y105 Y557 I558 G559 G560 H563 L568	M89-Y105 WeakPolarHBondContact O-CE1 3.11Å; M89-Y105 PolarHBondContact O-OH 3.24Å; M89-Y105 VanDerWaalsContact O-OH 3.06Å; M89-Y557 HydrophobicContact CE-CD1 4.4Å; M89-Y557 HydrophobicContact CE-CE1 3.56Å; M89-Y557 HydrophobicContact CG-CE1 3.84Å; M89-Y557 WeakPolarHBondContact CG-OH 3.48Å; M89-I558 PolarHBondContact N-O 2.76Å; M89-G559 WeakPolarHBondContact SD-CA 3.28Å; M89-G560 PolarHBondContact SD-N 2.98Å; M89-H563 HydrophobicContact CE-CB 3.62Å; M89-H563 HydrophobicContact SD-CB 4.19Å; M89-H563 PolarHBondContact SD-CD2 3.06Å; M89-L568 HydrophobicContact CE-CD2 4.22Å; M89-L568 HydrophobicContact CE-CG 4.31Å
90	F	95.7	Very high	90.2	Very high	15 Å²	15	31.3 Å²	31.3	7%	0.066	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66	150.4	177.5	67.8	-11.1	0	0	0	111.5	S88 M126 D129 T176 Y529	S88-F90 PolarHBondContact O-N 2.72Å; S88-F90 VanDerWaalsContact O-N 3.08Å; F90-M126 HydrophobicContact CB-SD 4.1Å; F90-D129 HydrophobicContact CD1-CB 3.94Å; F90-D129 HydrophobicContact CE1-CB 3.42Å; F90-D129 VanDerWaalsContact CE1-CB 3.42Å; F90-D129 HydrophobicContact CE2-CB 4.08Å; F90-D129 HydrophobicContact CG-CB 4.47Å; F90-D129 HydrophobicContact CZ-CB 3.48Å; F90-D129 VanDerWaalsContact CZ-CB 3.48Å; F90-T176 HydrophobicContact CE2-CG2 3.77Å; F90-T176 HydrophobicContact CZ-CG2 3.98Å; F90-Y529 HydrophobicContact CB-CE2 4.12Å; F90-Y529 HydrophobicContact CD1-CD2 4.19Å; F90-Y529 AromaticContact CD1-CE2 3.79Å; F90-Y529 HydrophobicContact CD1-CE2 3.79Å; F90-Y529 AromaticContact CD2-CD2 3.56Å; F90-Y529 HydrophobicContact CD2-CD2 3.56Å; F90-Y529 AromaticContact CD2-CE2 3.81Å; F90-Y529 HydrophobicContact CD2-CE2 3.81Å; F90-Y529 HydrophobicContact CD2-CG 4.38Å; F90-Y529 HydrophobicContact CE1-CD2 4.19Å; F90-Y529 HydrophobicContact CE1-CE1 4.49Å; F90-Y529 HydrophobicContact CE1-CE2 4.14Å; F90-Y529 HydrophobicContact CE1-CG 4.38Å; F90-Y529 AromaticContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CE2 4.15Å; F90-Y529 AromaticContact CE2-CG 3.94Å; F90-Y529 HydrophobicContact CE2-CG 3.94Å; F90-Y529 AromaticContact CG-CD2 3.9Å; F90-Y529 HydrophobicContact CG-CD2 3.9Å; F90-Y529 AromaticContact CG-CE2 3.63Å; F90-Y529 HydrophobicContact CG-CE2 3.63Å; F90-Y529 HydrophobicContact CZ-CD1 4.43Å; F90-Y529 AromaticContact CZ-CD2 3.91Å; F90-Y529 HydrophobicContact CZ-CD2 3.91Å; F90-Y529 HydrophobicContact CZ-CE2 4.32Å; F90-Y529 AromaticContact CZ-CG 3.95Å; F90-Y529 HydrophobicContact CZ-CG 3.95Å
91	P	93.2	Very high	90.7	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-86.4	155.5	-173.5	34.5	-36.1	0	0	0	112.8	Y105 M126 G127 W128 D129 M157 F161	P91-Y105 WeakPolarHBondContact CB-OH 3.48Å; P91-Y105 VanDerWaalsContact CD-OH 3.28Å; P91-Y105 WeakPolarHBondContact CD-OH 3.43Å; P91-M126 VanDerWaalsContact CD-SD 3.51Å; P91-G127 WeakPolarHBondContact CD-O 3.32Å; P91-W128 HydrophobicContact CG-CE3 3.96Å; P91-W128 HydrophobicContact CG-CZ3 3.94Å; P91-D129 PolarHBondContact O-N 3.08Å; P91-D129 VanDerWaalsContact O-N 3.08Å; P91-M157 HydrophobicContact CB-CE 3.66Å; P91-M157 HydrophobicContact CG-CE 3.69Å; P91-F161 HydrophobicContact CG-CE2 4.36Å; P91-F161 HydrophobicContact CG-CZ 4.22Å
92	Y	90.4	Very high	91.1	Very high	61 Å²	61	24.1 Å²	24.1	24%	0.239	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-74.8	126.6	161.5	-64.3	-77.8	0	0	0	110	S94 D129 P134 T522	Y92-S94 PolarHBondContact O-N 3.22Å; Y92-D129 HydrophobicContact CD1-CB 3.85Å; Y92-D129 WeakPolarHBondContact CD1-O 3.39Å; Y92-D129 HydrophobicContact CE1-CB 3.94Å; Y92-D129 VanDerWaalsContact CE1-OD2 3.28Å; Y92-D129 WeakPolarHBondContact CE1-OD2 3.26Å; Y92-P134 HydrophobicContact CD1-CG 4.35Å; Y92-T522 HydrophobicContact CE1-CG2 4.32Å
93	P	89.6	Confident	91.2	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.013	10%	0.103	C	C	.	.			trans	-79	58.2	178.1	35.1	-34.4	0	0	0	111.7	W128 D129 A130 T150 N153 I154 M157	P93-W128 HydrophobicContact CB-CE3 4.41Å; P93-W128 HydrophobicContact CG-CB 4.47Å; P93-D129 WeakPolarHBondContact CD-O 3.15Å; P93-A130 HydrophobicContact CG-CB 3.91Å; P93-T150 HydrophobicContact CG-CG2 3.91Å; P93-N153 HydrophobicContact CB-CB 4.12Å; P93-N153 VanDerWaalsContact O-CB 3.24Å; P93-N153 WeakPolarHBondContact O-CB 3.13Å; P93-N153 PolarHBondContact O-ND2 3.07Å; P93-I154 HydrophobicContact CB-CD1 4.46Å; P93-I154 HydrophobicContact CB-CG1 3.6Å; P93-I154 HydrophobicContact CG-CD1 4.37Å; P93-I154 HydrophobicContact CG-CG1 4.02Å; P93-M157 HydrophobicContact CB-SD 4.23Å
94	S	73.1	Confident	91.2	Very high	43 Å²	43	19.1 Å²	19.1	30%	0.301	10%	0.098	S	C	.	.	S	Bend	trans	-92.6	7.8	-177.5	61.3	0	0	0	0	113.4	Y92 K643	Y92-S94 PolarHBondContact O-N 3.22Å; S94-K643 PolarHBondContact O-NZ 3.29Å
95	G	79.8	Confident	91.1	Very high	8 Å²	8	18.4 Å²	18.4	8%	0.082	10%	0.095	C	C	.	.	S	Bend	trans	141.3	-138	178.4	0	0	0	0	0	111	N153 M157 K643	G95-N153 PolarHBondContact N-ND2 3.44Å; G95-M157 WeakPolarHBondContact O-CG 3.46Å; G95-K643 VanDerWaalsContact C-NZ 3.32Å; G95-K643 VanDerWaalsContact N-NZ 3.13Å
96	K	85.4	Confident	91.1	Very high	108 Å²	108	18.4 Å²	18.4	47%	0.47	10%	0.095	S	C	.	.			trans	-83.3	155.7	-174.4	-51.5	-167.1	175.1	-175.7	0	115.3	H156	K96-H156 WeakPolarHBondContact CE-NE2 3.4Å
97	L	89	Confident	91.1	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.042	10%	0.095	C	C	.	.			trans	-64.6	158.1	167.3	-63.7	179	0	0	0	111.4	H101 M157 Q160 F161 L164	L97-H101 HydrophobicContact CD2-CB 3.81Å; L97-M157 HydrophobicContact CD2-CE 3.51Å; L97-M157 HydrophobicContact CD2-CG 4.48Å; L97-M157 HydrophobicContact CG-CE 4.36Å; L97-M157 HydrophobicContact CG-CG 4.36Å; L97-Q160 HydrophobicContact CD1-CB 3.65Å; L97-Q160 HydrophobicContact CG-CB 4.28Å; L97-F161 HydrophobicContact CD1-CD1 3.61Å; L97-F161 HydrophobicContact CD1-CE1 3.52Å; L97-F161 HydrophobicContact CD1-CG 4.17Å; L97-F161 HydrophobicContact CD1-CZ 4.07Å; L97-F161 HydrophobicContact CD2-CE1 3.91Å; L97-F161 HydrophobicContact CD2-CZ 3.8Å; L97-F161 HydrophobicContact CG-CE1 4.4Å; L97-L164 HydrophobicContact CD1-CD1 4.24Å
98	H	87.9	Confident	91	Very high	32 Å²	32	18.5 Å²	18.5	15%	0.148	10%	0.095	C	C	.	.			trans	-141.1	170.9	173.4	58.3	58.5	0	0	0	109.1	G100 H101 L102 I649	H98-G100 WeakPolarHBondContact ND1-CA 3.25Å; H98-G100 PolarHBondContact ND1-N 3.11Å; H98-G100 VanDerWaalsContact ND1-N 3.11Å; H98-G100 PolarHBondContact O-N 3.48Å; H98-G100 VanDerWaalsContact O-N 3.12Å; H98-H101 AromaticContact CD2-CE1 3.52Å; H98-H101 AromaticContact CD2-ND1 3.4Å; H98-H101 PolarHBondContact CD2-ND1 3.01Å; H98-H101 AromaticContact CE1-CE1 3.54Å; H98-H101 AromaticContact CE1-CG 3.93Å; H98-H101 AromaticContact CE1-ND1 3.26Å; H98-H101 PolarHBondContact CE1-ND1 3.42Å; H98-H101 VanDerWaalsContact CE1-ND1 3.26Å; H98-H101 AromaticContact CG-ND1 3.49Å; H98-H101 PolarHBondContact N-ND1 3.38Å; H98-H101 PolarHBondContact ND1-N 2.91Å; H98-H101 AromaticContact ND1-ND1 3.4Å; H98-H101 PolarHBondContact ND1-ND1 2.79Å; H98-H101 AromaticContact NE2-CE1 3.14Å; H98-H101 PolarHBondContact NE2-CE1 2.93Å; H98-H101 AromaticContact NE2-ND1 3.27Å; H98-H101 PolarHBondContact NE2-ND1 3.32Å; H98-H101 WeakPolarHBondContact O-CB 3.24Å; H98-H101 PolarHBondContact O-N 3.06Å; H98-L102 PolarHBondContact O-N 3.39Å; H98-I649 WeakPolarHBondContact CA-O 3.35Å
99	M	88.7	Confident	91	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.8	-34.6	-176.8	-71.9	-57.6	-70.6	0	0	114.6	H101 L102 R103 I599 M641 I649 P651 L654 I663 I667 W679	M99-H101 VanDerWaalsContact C-N 3.32Å; M99-H101 PolarHBondContact O-N 2.76Å; M99-L102 HydrophobicContact CE-CD2 4.32Å; M99-L102 PolarHBondContact O-N 3.05Å; M99-L102 HydrophobicContact SD-CB 4.46Å; M99-L102 HydrophobicContact SD-CD2 3.93Å; M99-R103 PolarHBondContact O-N 3.17Å; M99-I599 HydrophobicContact CB-CD1 4.01Å; M99-I599 HydrophobicContact CB-CG2 4.37Å; M99-I599 WeakPolarHBondContact O-CD1 3.4Å; M99-M641 HydrophobicContact CB-CE 4.42Å; M99-M641 HydrophobicContact CB-SD 3.95Å; M99-I649 HydrophobicContact CG-CB 4.05Å; M99-I649 HydrophobicContact CG-CG2 4.16Å; M99-I649 PolarHBondContact N-O 3.04Å; M99-P651 HydrophobicContact SD-CB 4.04Å; M99-P651 HydrophobicContact SD-CG 4.06Å; M99-L654 HydrophobicContact CE-CD1 3.91Å; M99-L654 HydrophobicContact CG-CD1 3.85Å; M99-L654 HydrophobicContact SD-CD1 3.49Å; M99-L654 WeakPolarHBondContact SD-CD1 3.28Å; M99-I663 HydrophobicContact CE-CG2 3.8Å; M99-I663 HydrophobicContact SD-CG2 4.4Å; M99-I667 HydrophobicContact CE-CD1 3.78Å; M99-I667 HydrophobicContact CE-CG1 3.94Å; M99-W679 HydrophobicContact CE-CH2 4.38Å; M99-W679 HydrophobicContact CE-CZ3 3.83Å
100	G	87.5	Confident	91	Very high	18 Å²	18	17.4 Å²	17.4	19%	0.186	9%	0.09	C	C	.	.	H	α-helix	trans	-55.3	-40.5	171.1	0	0	0	0	0	114.4	H98	H98-G100 WeakPolarHBondContact ND1-CA 3.25Å; H98-G100 PolarHBondContact ND1-N 3.11Å; H98-G100 VanDerWaalsContact ND1-N 3.11Å; H98-G100 PolarHBondContact O-N 3.48Å; H98-G100 VanDerWaalsContact O-N 3.12Å
101	H	90.4	Very high	91.1	Very high	39 Å²	39	16.7 Å²	16.7	18%	0.181	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-49.3	173.4	-69	110.3	0	0	0	110.7	L97 H98 M99 R103 V104 Y105	L97-H101 HydrophobicContact CD2-CB 3.81Å; H98-H101 AromaticContact CD2-CE1 3.52Å; H98-H101 AromaticContact CD2-ND1 3.4Å; H98-H101 PolarHBondContact CD2-ND1 3.01Å; H98-H101 AromaticContact CE1-CE1 3.54Å; H98-H101 AromaticContact CE1-CG 3.93Å; H98-H101 AromaticContact CE1-ND1 3.26Å; H98-H101 PolarHBondContact CE1-ND1 3.42Å; H98-H101 VanDerWaalsContact CE1-ND1 3.26Å; H98-H101 AromaticContact CG-ND1 3.49Å; H98-H101 PolarHBondContact N-ND1 3.38Å; H98-H101 PolarHBondContact ND1-N 2.91Å; H98-H101 AromaticContact ND1-ND1 3.4Å; H98-H101 PolarHBondContact ND1-ND1 2.79Å; H98-H101 AromaticContact NE2-CE1 3.14Å; H98-H101 PolarHBondContact NE2-CE1 2.93Å; H98-H101 AromaticContact NE2-ND1 3.27Å; H98-H101 PolarHBondContact NE2-ND1 3.32Å; H98-H101 WeakPolarHBondContact O-CB 3.24Å; H98-H101 PolarHBondContact O-N 3.06Å; M99-H101 VanDerWaalsContact C-N 3.32Å; M99-H101 PolarHBondContact O-N 2.76Å; H101-R103 PolarHBondContact O-N 3.41Å; H101-R103 VanDerWaalsContact O-N 3.14Å; H101-V104 PolarHBondContact O-N 2.88Å; H101-V104 VanDerWaalsContact O-N 3.16Å; H101-Y105 HydrophobicContact CB-CD2 4.13Å; H101-Y105 HydrophobicContact CB-CE2 3.77Å; H101-Y105 WeakPolarHBondContact O-CD2 3.43Å; H101-Y105 PolarHBondContact O-N 3.45Å
102	L	92.2	Very high	91.3	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-58.6	-32.1	-177.3	-173	56.4	0	0	0	112.2	H98 M99 T106 L164 L166 P651 I663 I667	H98-L102 PolarHBondContact O-N 3.39Å; M99-L102 HydrophobicContact CE-CD2 4.32Å; M99-L102 PolarHBondContact O-N 3.05Å; M99-L102 HydrophobicContact SD-CB 4.46Å; M99-L102 HydrophobicContact SD-CD2 3.93Å; L102-T106 WeakPolarHBondContact O-CB 3.29Å; L102-T106 PolarHBondContact O-N 3.03Å; L102-T106 PolarHBondContact O-OG1 2.92Å; L102-L164 HydrophobicContact CD1-CB 4.27Å; L102-L164 HydrophobicContact CD1-CD1 4.07Å; L102-L164 HydrophobicContact CD2-CD1 4.48Å; L102-L164 HydrophobicContact CD2-CD2 4.28Å; L102-L166 HydrophobicContact CD1-CD1 3.65Å; L102-L166 HydrophobicContact CD1-CD2 4.25Å; L102-L166 HydrophobicContact CD1-CG 4.16Å; L102-P651 HydrophobicContact CD2-CB 3.94Å; L102-I663 HydrophobicContact CD2-CG2 3.57Å; L102-I667 HydrophobicContact CB-CD1 4.05Å; L102-I667 HydrophobicContact CD2-CD1 3.72Å; L102-I667 HydrophobicContact CG-CD1 3.48Å; L102-I667 VanDerWaalsContact CG-CD1 3.48Å
103	R	93.1	Very high	91.6	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.011	8%	0.076	C	C	.	.	H	α-helix	trans	-56.8	-56.2	174.7	-176	170.9	-167.5	-174.5	6.8	112.6	M99 H101 Y105 T106 I107 G597 I599 I667 P672 P673 Q675	M99-R103 PolarHBondContact O-N 3.17Å; H101-R103 PolarHBondContact O-N 3.41Å; H101-R103 VanDerWaalsContact O-N 3.14Å; R103-Y105 VanDerWaalsContact C-N 3.29Å; R103-Y105 PolarHBondContact O-N 2.92Å; R103-T106 PolarHBondContact O-N 3.21Å; R103-I107 HydrophobicContact CG-CD1 4.08Å; R103-I107 WeakPolarHBondContact O-CD1 3.28Å; R103-I107 VanDerWaalsContact O-CG1 3.32Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 2.77Å; R103-G597 PolarHBondContact NH1-O 2.96Å; R103-I599 HydrophobicContact CB-CD1 3.93Å; R103-I599 HydrophobicContact CB-CG1 4.26Å; R103-I667 HydrophobicContact CB-CG2 4.13Å; R103-I667 HydrophobicContact CG-CG2 3.97Å; R103-P672 PolarHBondContact NH2-O 3.13Å; R103-P673 PolarHBondContact NH2-O 2.78Å; R103-Q675 PolarHBondContact NH1-O 3.5Å; R103-Q675 PolarHBondContact NH2-O 3.4Å
104	V	94.1	Very high	92	Very high	11 Å²	11	13.8 Å²	13.8	7%	0.067	8%	0.075	C	C	.	.	H	α-helix	trans	-59.1	-45.4	-176.7	-173.9	0	0	0	0	110.6	H101 I107 S108 I558 Q596	H101-V104 PolarHBondContact O-N 2.88Å; H101-V104 VanDerWaalsContact O-N 3.16Å; V104-I107 PolarHBondContact O-N 3.46Å; V104-S108 PolarHBondContact O-N 2.97Å; V104-S108 VanDerWaalsContact O-N 3.16Å; V104-I558 HydrophobicContact CG1-CB 4.43Å; V104-I558 HydrophobicContact CG1-CG2 3.92Å; V104-Q596 VanDerWaalsContact CG2-CD 3.42Å; V104-Q596 HydrophobicContact CG2-CG 3.87Å; V104-Q596 VanDerWaalsContact CG2-NE2 3.32Å
105	Y	96.1	Very high	93.1	Very high	6 Å²	6	12 Å²	12	2%	0.024	6%	0.062	C	C	.	.	H	α-helix	trans	-78.3	-29.7	-173.9	-58	-41.4	0	0	0	113.6	M89 P91 H101 R103 I107 S108 D109 M126 F161 L166 F168	M89-Y105 WeakPolarHBondContact O-CE1 3.11Å; M89-Y105 PolarHBondContact O-OH 3.24Å; M89-Y105 VanDerWaalsContact O-OH 3.06Å; P91-Y105 WeakPolarHBondContact CB-OH 3.48Å; P91-Y105 VanDerWaalsContact CD-OH 3.28Å; P91-Y105 WeakPolarHBondContact CD-OH 3.43Å; H101-Y105 HydrophobicContact CB-CD2 4.13Å; H101-Y105 HydrophobicContact CB-CE2 3.77Å; H101-Y105 WeakPolarHBondContact O-CD2 3.43Å; H101-Y105 PolarHBondContact O-N 3.45Å; R103-Y105 VanDerWaalsContact C-N 3.29Å; R103-Y105 PolarHBondContact O-N 2.92Å; Y105-I107 VanDerWaalsContact C-N 3.32Å; Y105-S108 PolarHBondContact O-OG 3.25Å; Y105-S108 VanDerWaalsContact O-OG 3.11Å; Y105-D109 VanDerWaalsContact O-CB 3.3Å; Y105-D109 WeakPolarHBondContact O-CB 3.32Å; Y105-D109 PolarHBondContact O-N 3.23Å; Y105-M126 HydrophobicContact CD1-CE 3.6Å; Y105-M126 HydrophobicContact CE1-CE 3.4Å; Y105-M126 HydrophobicContact CE1-SD 4.31Å; Y105-F161 HydrophobicContact CD2-CD1 4.41Å; Y105-F161 AromaticContact CD2-CE1 3.3Å; Y105-F161 HydrophobicContact CD2-CE1 3.3Å; Y105-F161 AromaticContact CD2-CZ 3.78Å; Y105-F161 HydrophobicContact CD2-CZ 3.78Å; Y105-F161 AromaticContact CE2-CE1 3.54Å; Y105-F161 HydrophobicContact CE2-CE1 3.54Å; Y105-F161 AromaticContact CE2-CZ 3.5Å; Y105-F161 HydrophobicContact CE2-CZ 3.5Å; Y105-F161 HydrophobicContact CG-CE1 4.04Å; Y105-L166 WeakPolarHBondContact O-CD2 3.46Å; Y105-F168 HydrophobicContact CD1-CE1 4.37Å; Y105-F168 HydrophobicContact CD1-CZ 4.03Å; Y105-F168 AromaticContact CG-CZ 4Å; Y105-F168 HydrophobicContact CG-CZ 4Å
106	T	96.6	Very high	93.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.7	-38.6	171.3	-59.3	0	0	0	0	110.7	L102 R103 A110 R664 I667 L668	L102-T106 WeakPolarHBondContact O-CB 3.29Å; L102-T106 PolarHBondContact O-N 3.03Å; L102-T106 PolarHBondContact O-OG1 2.92Å; R103-T106 PolarHBondContact O-N 3.21Å; T106-A110 WeakPolarHBondContact O-CB 3.41Å; T106-A110 PolarHBondContact O-N 3.3Å; T106-R664 HydrophobicContact CG2-CB 3.9Å; T106-R664 HydrophobicContact CG2-CG 3.99Å; T106-I667 HydrophobicContact CG2-CG2 4.24Å; T106-L668 HydrophobicContact CG2-CD1 4Å; T106-L668 HydrophobicContact CG2-CD2 4.17Å; T106-L668 HydrophobicContact CG2-CG 3.91Å
107	I	97.2	Very high	94.3	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-62.5	-50.9	176.5	-69.6	163.5	0	0	0	110.5	R103 V104 Y105 D109 A110 V111 I558 L594 L668 P673 F750	R103-I107 HydrophobicContact CG-CD1 4.08Å; R103-I107 WeakPolarHBondContact O-CD1 3.28Å; R103-I107 VanDerWaalsContact O-CG1 3.32Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 2.77Å; V104-I107 PolarHBondContact O-N 3.46Å; Y105-I107 VanDerWaalsContact C-N 3.32Å; I107-D109 PolarHBondContact O-N 3.48Å; I107-A110 PolarHBondContact O-N 2.91Å; I107-V111 WeakPolarHBondContact O-CG2 3.4Å; I107-V111 PolarHBondContact O-N 3.06Å; I107-I558 HydrophobicContact CG2-CD1 3.86Å; I107-I558 HydrophobicContact CG2-CG2 4.4Å; I107-L594 HydrophobicContact CG2-CD2 3.74Å; I107-L668 HydrophobicContact CG1-CD2 3.85Å; I107-P673 HydrophobicContact CD1-CB 4.17Å; I107-F750 HydrophobicContact CB-CE2 4.33Å; I107-F750 HydrophobicContact CG1-CD2 4.36Å; I107-F750 HydrophobicContact CG1-CE2 4.15Å; I107-F750 HydrophobicContact CG2-CD2 4.47Å; I107-F750 HydrophobicContact CG2-CE2 3.5Å; I107-F750 VanDerWaalsContact CG2-CE2 3.5Å; I107-F750 HydrophobicContact CG2-CZ 3.88Å
108	S	97.1	Very high	94.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.7	-40.9	179.8	56.6	0	0	0	0	112.9	S88 V104 Y105 V111 A112	S88-S108 WeakPolarHBondContact OG-CB 3.42Å; S88-S108 PolarHBondContact OG-OG 3.06Å; V104-S108 PolarHBondContact O-N 2.97Å; V104-S108 VanDerWaalsContact O-N 3.16Å; Y105-S108 PolarHBondContact O-OG 3.25Å; Y105-S108 VanDerWaalsContact O-OG 3.11Å; S108-V111 PolarHBondContact O-N 3.33Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.25Å; S108-A112 PolarHBondContact O-N 3.12Å
109	D	97.1	Very high	94.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-41.1	176.1	177	87.4	0	0	0	112.3	Y105 I107 A112 R113 L166 S167 R664	Y105-D109 VanDerWaalsContact O-CB 3.3Å; Y105-D109 WeakPolarHBondContact O-CB 3.32Å; Y105-D109 PolarHBondContact O-N 3.23Å; I107-D109 PolarHBondContact O-N 3.48Å; D109-A112 PolarHBondContact O-N 2.85Å; D109-R113 WeakPolarHBondContact O-CG 3.45Å; D109-R113 PolarHBondContact O-N 3.36Å; D109-R113 IonicContact OD1-CZ 3.15Å; D109-R113 IonicContact OD1-NE 2.77Å; D109-R113 PolarHBondContact OD1-NE 3.16Å; D109-R113 IonicContact OD1-NH2 2.68Å; D109-R113 PolarHBondContact OD1-NH2 2.91Å; D109-R113 IonicContact OD2-CZ 2.67Å; D109-R113 IonicContact OD2-NE 2.77Å; D109-R113 PolarHBondContact OD2-NE 3.47Å; D109-R113 IonicContact OD2-NH2 2.84Å; D109-R113 PolarHBondContact OD2-NH2 2.9Å; D109-L166 HydrophobicContact CB-CD2 4.13Å; D109-S167 WeakPolarHBondContact OD1-CA 3.44Å; D109-S167 VanDerWaalsContact OD1-CB 3.29Å; D109-S167 WeakPolarHBondContact OD1-CB 3.4Å; D109-S167 PolarHBondContact OD1-N 3.18Å; D109-R664 IonicContact OD2-CZ 2.69Å; D109-R664 IonicContact OD2-NH1 2.72Å; D109-R664 PolarHBondContact OD2-NH1 3.48Å; D109-R664 IonicContact OD2-NH2 3.46Å; D109-R664 PolarHBondContact OD2-NH2 2.64Å
110	A	97.7	Very high	94.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-43.4	176.3	0	0	0	0	0	112	T106 I107 F114 L668 F744 P791	T106-A110 WeakPolarHBondContact O-CB 3.41Å; T106-A110 PolarHBondContact O-N 3.3Å; I107-A110 PolarHBondContact O-N 2.91Å; A110-F114 WeakPolarHBondContact O-CB 3.3Å; A110-F114 PolarHBondContact O-N 3.33Å; A110-L668 HydrophobicContact CB-CD1 4.11Å; A110-F744 HydrophobicContact CB-CE1 4.48Å; A110-P791 WeakPolarHBondContact CA-O 3.49Å; A110-P791 WeakPolarHBondContact O-CB 3.42Å
111	V	97.9	Very high	95.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-44.2	173.8	173.2	0	0	0	0	110.7	F84 V86 I107 S108 R113 F114 Q115 L556 F750	F84-V111 HydrophobicContact CE1-CG1 3.71Å; F84-V111 HydrophobicContact CZ-CG1 4.28Å; V86-V111 HydrophobicContact CB-CG1 4.46Å; V86-V111 HydrophobicContact CG2-CB 4.41Å; V86-V111 HydrophobicContact CG2-CG1 4.22Å; I107-V111 WeakPolarHBondContact O-CG2 3.4Å; I107-V111 PolarHBondContact O-N 3.06Å; S108-V111 PolarHBondContact O-N 3.33Å; V111-R113 PolarHBondContact O-N 2.91Å; V111-F114 PolarHBondContact O-N 3.49Å; V111-Q115 HydrophobicContact CG1-CG 4.2Å; V111-Q115 WeakPolarHBondContact O-CG 3.31Å; V111-Q115 PolarHBondContact O-N 3.45Å; V111-L556 HydrophobicContact CB-CD2 4.49Å; V111-L556 HydrophobicContact CG1-CD2 4.01Å; V111-L556 HydrophobicContact CG2-CD2 4.08Å; V111-F750 HydrophobicContact CG2-CE1 3.87Å; V111-F750 HydrophobicContact CG2-CZ 3.55Å
112	A	96.8	Very high	95.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.9	-45.5	-179.2	0	0	0	0	0	111.9	F71 V86 S108 D109 Q115 K116 V122 N124	F71-A112 HydrophobicContact CE2-CB 4.1Å; F71-A112 HydrophobicContact CZ-CB 3.99Å; V86-A112 HydrophobicContact CG1-CB 3.9Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.25Å; S108-A112 PolarHBondContact O-N 3.12Å; D109-A112 PolarHBondContact O-N 2.85Å; A112-Q115 PolarHBondContact O-N 2.8Å; A112-K116 WeakPolarHBondContact O-CG 3.18Å; A112-K116 PolarHBondContact O-N 3.41Å; A112-V122 HydrophobicContact CB-CG1 3.93Å; A112-N124 HydrophobicContact CB-CB 3.87Å
113	R	96.3	Very high	95.4	Very high	6 Å²	6	13.4 Å²	13.4	2%	0.023	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-46.7	176.1	-70.5	172.7	-167.2	-71.1	-10.8	111.8	F71 D109 V111 Q115 K116 M117 S167 P791	F71-R113 HydrophobicContact CE2-CG 4.45Å; D109-R113 WeakPolarHBondContact O-CG 3.45Å; D109-R113 PolarHBondContact O-N 3.36Å; D109-R113 IonicContact OD1-CZ 3.15Å; D109-R113 IonicContact OD1-NE 2.77Å; D109-R113 PolarHBondContact OD1-NE 3.16Å; D109-R113 IonicContact OD1-NH2 2.68Å; D109-R113 PolarHBondContact OD1-NH2 2.91Å; D109-R113 IonicContact OD2-CZ 2.67Å; D109-R113 IonicContact OD2-NE 2.77Å; D109-R113 PolarHBondContact OD2-NE 3.47Å; D109-R113 IonicContact OD2-NH2 2.84Å; D109-R113 PolarHBondContact OD2-NH2 2.9Å; V111-R113 PolarHBondContact O-N 2.91Å; R113-Q115 PolarHBondContact O-N 3.29Å; R113-K116 PolarHBondContact O-N 2.98Å; R113-M117 VanDerWaalsContact O-CG 3.3Å; R113-M117 WeakPolarHBondContact O-CG 3.41Å; R113-M117 PolarHBondContact O-N 3.42Å; R113-S167 VanDerWaalsContact NH2-CB 3.32Å; R113-S167 PolarHBondContact NH2-OG 2.88Å; R113-P791 HydrophobicContact CB-CB 3.9Å; R113-P791 HydrophobicContact CB-CG 4.46Å; R113-P791 WeakPolarHBondContact CD-O 3.26Å
114	F	97.8	Very high	95.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.4	-48.4	176.9	165	-104.1	0	0	0	112	A110 V111 K116 M117 R118 T741 F744 A745 P791 W826	A110-F114 WeakPolarHBondContact O-CB 3.3Å; A110-F114 PolarHBondContact O-N 3.33Å; V111-F114 PolarHBondContact O-N 3.49Å; F114-K116 PolarHBondContact O-N 3.24Å; F114-M117 PolarHBondContact O-N 3.2Å; F114-R118 HydrophobicContact CE2-CG 4.24Å; F114-R118 HydrophobicContact CZ-CG 4.25Å; F114-R118 PolarHBondContact O-N 3.48Å; F114-T741 HydrophobicContact CZ-CG2 4.33Å; F114-F744 HydrophobicContact CB-CD1 3.61Å; F114-F744 HydrophobicContact CB-CE1 3.97Å; F114-F744 HydrophobicContact CB-CG 4.47Å; F114-F744 HydrophobicContact CD1-CB 3.79Å; F114-F744 AromaticContact CD1-CD1 3.94Å; F114-F744 HydrophobicContact CD1-CD1 3.94Å; F114-F744 HydrophobicContact CD1-CG 4.28Å; F114-F744 HydrophobicContact CD2-CB 3.83Å; F114-F744 AromaticContact CD2-CD1 3.94Å; F114-F744 HydrophobicContact CD2-CD1 3.94Å; F114-F744 AromaticContact CD2-CG 3.95Å; F114-F744 HydrophobicContact CD2-CG 3.95Å; F114-F744 HydrophobicContact CE1-CB 3.58Å; F114-F744 HydrophobicContact CE2-CB 3.61Å; F114-F744 HydrophobicContact CE2-CG 4.18Å; F114-F744 HydrophobicContact CG-CB 3.9Å; F114-F744 AromaticContact CG-CD1 3.56Å; F114-F744 HydrophobicContact CG-CD1 3.56Å; F114-F744 HydrophobicContact CG-CE1 4.36Å; F114-F744 AromaticContact CG-CG 3.98Å; F114-F744 HydrophobicContact CG-CG 3.98Å; F114-F744 HydrophobicContact CZ-CB 3.45Å; F114-F744 VanDerWaalsContact CZ-CB 3.45Å; F114-F744 HydrophobicContact CZ-CG 4.44Å; F114-A745 HydrophobicContact CE1-CB 4.08Å; F114-A745 HydrophobicContact CZ-CB 4.05Å; F114-P791 HydrophobicContact CB-CB 4.32Å; F114-P791 HydrophobicContact CB-CG 4.26Å; F114-W826 AromaticContact CD2-CD2 3.8Å; F114-W826 HydrophobicContact CD2-CD2 3.8Å; F114-W826 AromaticContact CD2-CE2 3.85Å; F114-W826 AromaticContact CD2-CE3 3.81Å; F114-W826 HydrophobicContact CD2-CE3 3.81Å; F114-W826 AromaticContact CD2-CH2 3.9Å; F114-W826 HydrophobicContact CD2-CH2 3.9Å; F114-W826 AromaticContact CD2-CZ2 3.89Å; F114-W826 HydrophobicContact CD2-CZ2 3.89Å; F114-W826 AromaticContact CD2-CZ3 3.88Å; F114-W826 HydrophobicContact CD2-CZ3 3.88Å; F114-W826 AromaticContact CE2-CD2 3.77Å; F114-W826 HydrophobicContact CE2-CD2 3.77Å; F114-W826 AromaticContact CE2-CE2 3.5Å; F114-W826 VanDerWaalsContact CE2-CE2 3.5Å; F114-W826 HydrophobicContact CE2-CE3 4.27Å; F114-W826 HydrophobicContact CE2-CG 4.21Å; F114-W826 HydrophobicContact CE2-CH2 4.24Å; F114-W826 AromaticContact CE2-CZ2 3.75Å; F114-W826 HydrophobicContact CE2-CZ2 3.75Å; F114-W826 HydrophobicContact CE2-CZ3 4.49Å; F114-W826 AromaticContact CE2-NE1 3.78Å
115	Q	96.9	Very high	95.6	Very high	6 Å²	6	12.7 Å²	12.7	3%	0.028	6%	0.063	C	C	.	.	H	α-helix	trans	-69	-34.7	-179.3	-61.7	-69	37.8	0	0	112.4	F84 V111 A112 R113 R118 G119 M120 V122	F84-Q115 HydrophobicContact CB-CB 4.24Å; F84-Q115 HydrophobicContact CB-CG 4.41Å; F84-Q115 HydrophobicContact CD1-CB 4.19Å; F84-Q115 HydrophobicContact CD1-CG 3.66Å; F84-Q115 HydrophobicContact CD2-CG 4.12Å; F84-Q115 VanDerWaalsContact CD2-NE2 3.32Å; F84-Q115 HydrophobicContact CE1-CG 3.84Å; F84-Q115 HydrophobicContact CE2-CG 4.31Å; F84-Q115 HydrophobicContact CG-CB 4.15Å; F84-Q115 HydrophobicContact CG-CG 3.79Å; F84-Q115 HydrophobicContact CZ-CG 4.17Å; V111-Q115 HydrophobicContact CG1-CG 4.2Å; V111-Q115 WeakPolarHBondContact O-CG 3.31Å; V111-Q115 PolarHBondContact O-N 3.45Å; A112-Q115 PolarHBondContact O-N 2.8Å; R113-Q115 PolarHBondContact O-N 3.29Å; Q115-R118 PolarHBondContact O-N 2.94Å; Q115-R118 VanDerWaalsContact O-N 3.16Å; Q115-G119 PolarHBondContact O-N 3.2Å; Q115-M120 HydrophobicContact CB-CB 4.36Å; Q115-M120 HydrophobicContact CB-CG 4.4Å; Q115-M120 HydrophobicContact CB-SD 3.92Å; Q115-M120 VanDerWaalsContact CD-SD 3.55Å; Q115-M120 HydrophobicContact CG-SD 4.18Å; Q115-M120 VanDerWaalsContact O-CB 3.31Å; Q115-M120 WeakPolarHBondContact O-CB 3.38Å; Q115-M120 WeakPolarHBondContact O-CG 3.29Å; Q115-M120 PolarHBondContact O-N 3Å; Q115-M120 VanDerWaalsContact O-N 3.08Å; Q115-M120 PolarHBondContact OE1-SD 3.33Å; Q115-V122 HydrophobicContact CB-CG2 3.72Å
116	K	93.9	Very high	95.7	Very high	47 Å²	47	12.4 Å²	12.4	20%	0.204	6%	0.062	C	C	.	.	H	α-helix	trans	-59.8	-45.5	170.9	-78.3	-173.9	174.6	179.6	0	111.3	F71 A112 R113 F114 R118 G119 V122	F71-K116 HydrophobicContact CD2-CD 4.11Å; F71-K116 VanDerWaalsContact CD2-NZ 3.31Å; F71-K116 HydrophobicContact CE2-CD 3.96Å; F71-K116 PolarHBondContact O-NZ 2.95Å; A112-K116 WeakPolarHBondContact O-CG 3.18Å; A112-K116 PolarHBondContact O-N 3.41Å; R113-K116 PolarHBondContact O-N 2.98Å; F114-K116 PolarHBondContact O-N 3.24Å; K116-R118 PolarHBondContact O-N 2.85Å; K116-G119 WeakPolarHBondContact O-CA 3.48Å; K116-G119 PolarHBondContact O-N 2.85Å; K116-V122 HydrophobicContact CB-CG2 4.36Å; K116-V122 HydrophobicContact CD-CB 4.49Å; K116-V122 HydrophobicContact CG-CB 3.75Å; K116-V122 HydrophobicContact CG-CG2 3.55Å
117	M	95.6	Very high	95.7	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.039	6%	0.062	C	C	.	.	H	α-helix	trans	-65.7	-24.3	177.1	-66.3	173.9	75.4	0	0	112.5	R113 F114 G119 I787 A790 P791 L822 S825 W826	R113-M117 VanDerWaalsContact O-CG 3.3Å; R113-M117 WeakPolarHBondContact O-CG 3.41Å; R113-M117 PolarHBondContact O-N 3.42Å; F114-M117 PolarHBondContact O-N 3.2Å; M117-G119 PolarHBondContact O-N 3.49Å; M117-I787 HydrophobicContact CE-CG2 3.36Å; M117-A790 HydrophobicContact CE-CB 4.5Å; M117-P791 HydrophobicContact SD-CG 3.82Å; M117-L822 HydrophobicContact SD-CD2 4.27Å; M117-S825 CarbonylContact O-C 3.52Å; M117-S825 WeakPolarHBondContact O-CA 3.29Å; M117-W826 HydrophobicContact CB-CB 4.27Å; M117-W826 HydrophobicContact CB-CE3 4.35Å; M117-W826 HydrophobicContact CE-CE3 4.27Å; M117-W826 PolarHBondContact O-N 2.95Å; M117-W826 HydrophobicContact SD-CE3 4.41Å
118	R	94.8	Very high	95.7	Very high	116 Å²	116	12.3 Å²	12.3	44%	0.438	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	3.4	169.6	-71.2	-174.8	64.7	-147.5	8.4	114.3	F114 Q115 K116 M120 W826	F114-R118 HydrophobicContact CE2-CG 4.24Å; F114-R118 HydrophobicContact CZ-CG 4.25Å; F114-R118 PolarHBondContact O-N 3.48Å; Q115-R118 PolarHBondContact O-N 2.94Å; Q115-R118 VanDerWaalsContact O-N 3.16Å; K116-R118 PolarHBondContact O-N 2.85Å; R118-M120 HydrophobicContact CB-CG 4.38Å; R118-W826 HydrophobicContact CG-CB 3.73Å; R118-W826 HydrophobicContact CG-CG 4.02Å
119	G	91.9	Very high	95.6	Very high	33 Å²	33	12.5 Å²	12.5	34%	0.34	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	11.8	178.6	0	0	0	0	0	114	R81 Q115 K116 M117	R81-G119 PolarHBondContact NE-O 2.73Å; R81-G119 VanDerWaalsContact NH2-C 3.3Å; R81-G119 PolarHBondContact NH2-O 3.33Å; R81-G119 VanDerWaalsContact NH2-O 3.11Å; Q115-G119 PolarHBondContact O-N 3.2Å; K116-G119 WeakPolarHBondContact O-CA 3.48Å; K116-G119 PolarHBondContact O-N 2.85Å; M117-G119 PolarHBondContact O-N 3.49Å
120	M	92.6	Very high	95.4	Very high	27 Å²	27	12.5 Å²	12.5	13%	0.133	6%	0.062	C	C	.	.			trans	-78.7	154.5	178.9	-51.3	-171.2	80.2	0	0	111.6	R81 P82 K83 F84 Q115 R118 V122	R81-M120 PolarHBondContact NH2-O 2.87Å; P82-M120 HydrophobicContact CB-CE 4.18Å; P82-M120 HydrophobicContact CG-CE 4.44Å; P82-M120 HydrophobicContact CG-CG 4.29Å; P82-M120 CarbonylContact O-C 3.6Å; P82-M120 VanDerWaalsContact O-CA 3.26Å; P82-M120 WeakPolarHBondContact O-CA 3.46Å; P82-M120 WeakPolarHBondContact O-CB 3.39Å; K83-M120 VanDerWaalsContact O-CE 3.22Å; K83-M120 WeakPolarHBondContact O-CE 3.28Å; F84-M120 HydrophobicContact CB-CB 4.3Å; F84-M120 HydrophobicContact CB-CE 3.87Å; F84-M120 HydrophobicContact CB-SD 3.96Å; F84-M120 HydrophobicContact CD2-CE 3.88Å; F84-M120 HydrophobicContact CD2-SD 4.02Å; F84-M120 HydrophobicContact CG-CE 4.34Å; F84-M120 HydrophobicContact CG-SD 4.26Å; Q115-M120 HydrophobicContact CB-CB 4.36Å; Q115-M120 HydrophobicContact CB-CG 4.4Å; Q115-M120 HydrophobicContact CB-SD 3.92Å; Q115-M120 VanDerWaalsContact CD-SD 3.55Å; Q115-M120 HydrophobicContact CG-SD 4.18Å; Q115-M120 VanDerWaalsContact O-CB 3.31Å; Q115-M120 WeakPolarHBondContact O-CB 3.38Å; Q115-M120 WeakPolarHBondContact O-CG 3.29Å; Q115-M120 PolarHBondContact O-N 3Å; Q115-M120 VanDerWaalsContact O-N 3.08Å; Q115-M120 PolarHBondContact OE1-SD 3.33Å; R118-M120 HydrophobicContact CB-CG 4.38Å; M120-V122 HydrophobicContact CB-CG2 4.1Å
121	Q	91.9	Very high	95.2	Very high	12 Å²	12	12.6 Å²	12.6	6%	0.056	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.7	161.2	-59.9	-144.1	-20.9	0	0	108.7	S75 D78 R81 P82 K83 F84 Y550 W551	S75-Q121 PolarHBondContact O-NE2 3.24Å; D78-Q121 PolarHBondContact O-NE2 2.92Å; R81-Q121 HydrophobicContact CB-CG 3.68Å; P82-Q121 PolarHBondContact O-N 2.9Å; K83-Q121 CarbonylContact C-O 3.18Å; K83-Q121 WeakPolarHBondContact CA-O 3.42Å; F84-Q121 PolarHBondContact N-O 2.93Å; Q121-Y550 PolarHBondContact OE1-OH 3.14Å; Q121-W551 HydrophobicContact CB-CH2 3.99Å; Q121-W551 HydrophobicContact CB-CZ3 4.4Å
122	V	93.3	Very high	94.5	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.024	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.3	-172.4	-174.7	0	0	0	0	111.1	F84 V86 A112 Q115 K116 M120	F84-V122 HydrophobicContact CB-CG2 4.23Å; F84-V122 VanDerWaalsContact O-CA 3.28Å; F84-V122 WeakPolarHBondContact O-CA 3.43Å; V86-V122 HydrophobicContact CG1-CG1 4.23Å; A112-V122 HydrophobicContact CB-CG1 3.93Å; Q115-V122 HydrophobicContact CB-CG2 3.72Å; K116-V122 HydrophobicContact CB-CG2 4.36Å; K116-V122 HydrophobicContact CD-CB 4.49Å; K116-V122 HydrophobicContact CG-CB 3.75Å; K116-V122 HydrophobicContact CG-CG2 3.55Å; M120-V122 HydrophobicContact CB-CG2 4.1Å
123	I	93.9	Very high	93.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.1	161.8	56	167.6	0	0	0	109.1	I74 F84 Y85 V86 W551	I74-I123 HydrophobicContact CD1-CG2 4.09Å; F84-I123 PolarHBondContact O-N 2.9Å; F84-I123 VanDerWaalsContact O-N 3.12Å; Y85-I123 HydrophobicContact CD1-CB 4.48Å; Y85-I123 HydrophobicContact CD1-CD1 3.41Å; Y85-I123 VanDerWaalsContact CD1-CD1 3.41Å; Y85-I123 HydrophobicContact CD1-CG1 3.38Å; Y85-I123 HydrophobicContact CD2-CD1 3.71Å; Y85-I123 HydrophobicContact CD2-CG1 4.4Å; Y85-I123 HydrophobicContact CE1-CD1 3.58Å; Y85-I123 HydrophobicContact CE1-CG1 3.91Å; Y85-I123 HydrophobicContact CE2-CD1 3.87Å; Y85-I123 HydrophobicContact CG-CD1 3.47Å; Y85-I123 VanDerWaalsContact CG-CD1 3.47Å; Y85-I123 HydrophobicContact CG-CG1 3.65Å; V86-I123 PolarHBondContact N-O 3.25Å; V86-I123 VanDerWaalsContact N-O 3.15Å; I123-W551 HydrophobicContact CB-CZ3 4.41Å; I123-W551 HydrophobicContact CD1-CB 4.2Å; I123-W551 HydrophobicContact CD1-CD2 3.69Å; I123-W551 HydrophobicContact CD1-CE3 3.66Å; I123-W551 HydrophobicContact CD1-CG 3.94Å; I123-W551 HydrophobicContact CD1-CZ3 4.31Å; I123-W551 HydrophobicContact CG1-CD2 4.16Å; I123-W551 HydrophobicContact CG1-CE3 3.66Å; I123-W551 HydrophobicContact CG1-CH2 4.5Å; I123-W551 HydrophobicContact CG1-CZ3 3.85Å; I123-W551 HydrophobicContact CG2-CD2 4.43Å; I123-W551 HydrophobicContact CG2-CE3 4.26Å; I123-W551 HydrophobicContact CG2-CH2 3.69Å; I123-W551 HydrophobicContact CG2-CZ2 3.84Å; I123-W551 HydrophobicContact CG2-CZ3 3.9Å
124	N	96.3	Very high	92.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.			trans	-129.5	72.2	171.6	-178	34.3	0	0	0	107.2	F71 V86 A112 S167 F168 T169	F71-N124 HydrophobicContact CZ-CB 4.2Å; V86-N124 HydrophobicContact CG1-CB 3.76Å; A112-N124 HydrophobicContact CB-CB 3.87Å; N124-S167 PolarHBondContact ND2-O 3.23Å; N124-F168 WeakPolarHBondContact ND2-CD1 3.17Å; N124-F168 CarbonylContact O-C 3.51Å; N124-F168 WeakPolarHBondContact O-CA 3.4Å; N124-F168 WeakPolarHBondContact O-CB 3.45Å; N124-F168 WeakPolarHBondContact O-CD1 3.35Å; N124-T169 PolarHBondContact N-OG1 3.42Å; N124-T169 VanDerWaalsContact N-OG1 3.13Å; N124-T169 PolarHBondContact O-N 3.31Å
125	P	96.4	Very high	91.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.			trans	-77.4	164.3	-172.6	35	-36.1	0	0	0	111.2	Y85 L87 R172 Y533	Y85-P125 HydrophobicContact CE1-CG 3.61Å; L87-P125 HydrophobicContact CD1-CG 3.86Å; P125-R172 HydrophobicContact CB-CB 4.21Å; P125-Y533 HydrophobicContact CB-CD1 3.55Å; P125-Y533 HydrophobicContact CB-CD2 4.13Å; P125-Y533 HydrophobicContact CB-CE1 3.84Å; P125-Y533 HydrophobicContact CB-CE2 4.36Å; P125-Y533 HydrophobicContact CB-CG 3.73Å; P125-Y533 HydrophobicContact CG-CD1 4.01Å; P125-Y533 HydrophobicContact CG-CD2 3.67Å; P125-Y533 HydrophobicContact CG-CE1 4.41Å; P125-Y533 HydrophobicContact CG-CE2 4.07Å; P125-Y533 HydrophobicContact CG-CG 3.64Å
126	M	97.1	Very high	90.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.			trans	-143.1	157.1	172.9	-172.5	49	60.3	0	0	109.4	F90 P91 Y105 F161 F168 W170 E173	F90-M126 HydrophobicContact CB-SD 4.1Å; P91-M126 VanDerWaalsContact CD-SD 3.51Å; Y105-M126 HydrophobicContact CD1-CE 3.6Å; Y105-M126 HydrophobicContact CE1-CE 3.4Å; Y105-M126 HydrophobicContact CE1-SD 4.31Å; M126-F161 HydrophobicContact CG-CE2 4.17Å; M126-F168 HydrophobicContact CB-CB 3.94Å; M126-F168 HydrophobicContact CB-CD1 3.76Å; M126-F168 HydrophobicContact CB-CD2 4.11Å; M126-F168 HydrophobicContact CB-CE1 4.21Å; M126-F168 HydrophobicContact CB-CE2 4.48Å; M126-F168 HydrophobicContact CB-CG 3.68Å; M126-F168 HydrophobicContact CE-CD1 3.98Å; M126-F168 HydrophobicContact CE-CE1 3.33Å; M126-F168 HydrophobicContact CE-CE2 4.43Å; M126-F168 HydrophobicContact CE-CZ 3.57Å; M126-F168 HydrophobicContact CG-CD2 4.45Å; M126-F168 HydrophobicContact CG-CE2 4.41Å; M126-F168 HydrophobicContact CG-CG 4.45Å; M126-F168 HydrophobicContact CG-CZ 4.42Å; M126-W170 HydrophobicContact CB-CE3 4.37Å; M126-W170 HydrophobicContact CB-CH2 3.82Å; M126-W170 HydrophobicContact CB-CZ3 3.75Å; M126-W170 HydrophobicContact CG-CH2 3.72Å; M126-W170 HydrophobicContact CG-CZ3 3.92Å; M126-E173 WeakPolarHBondContact O-CA 3.07Å
127	G	97.1	Very high	89.6	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-163.3	-177.6	0	0	0	0	0	109.7	P91 I174 Y533	P91-G127 WeakPolarHBondContact CD-O 3.32Å; G127-I174 CarbonylContact C-O 3.57Å; G127-I174 WeakPolarHBondContact CA-O 3.27Å; G127-Y533 VanDerWaalsContact CA-OH 3.24Å; G127-Y533 WeakPolarHBondContact CA-OH 3.09Å; G127-Y533 PolarHBondContact N-OH 3.17Å
128	W	97.1	Very high	88.7	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	120.5	-167.8	-46.5	95.2	0	0	0	111.6	P91 P93 A130 I154 M157 R158 F161 W170 E173 I174 T175 T176	P91-W128 HydrophobicContact CG-CE3 3.96Å; P91-W128 HydrophobicContact CG-CZ3 3.94Å; P93-W128 HydrophobicContact CB-CE3 4.41Å; P93-W128 HydrophobicContact CG-CB 4.47Å; W128-A130 VanDerWaalsContact C-N 3.32Å; W128-A130 HydrophobicContact CB-CB 4.31Å; W128-A130 PolarHBondContact O-N 2.87Å; W128-A130 VanDerWaalsContact O-N 3.08Å; W128-I154 HydrophobicContact CB-CD1 3.84Å; W128-I154 HydrophobicContact CB-CG1 3.97Å; W128-I154 HydrophobicContact CD2-CB 4.26Å; W128-I154 HydrophobicContact CD2-CD1 4.47Å; W128-I154 HydrophobicContact CD2-CG1 3.78Å; W128-I154 HydrophobicContact CD2-CG2 3.97Å; W128-I154 HydrophobicContact CE3-CG1 4.15Å; W128-I154 HydrophobicContact CG-CB 4.45Å; W128-I154 HydrophobicContact CG-CD1 3.84Å; W128-I154 HydrophobicContact CG-CG1 3.67Å; W128-I154 HydrophobicContact CG-CG2 4.11Å; W128-I154 HydrophobicContact CZ2-CG2 4.09Å; W128-M157 HydrophobicContact CE3-CE 4.47Å; W128-M157 HydrophobicContact CE3-SD 4.42Å; W128-M157 HydrophobicContact CH2-CB 3.53Å; W128-M157 HydrophobicContact CZ3-CB 3.43Å; W128-M157 VanDerWaalsContact CZ3-CB 3.43Å; W128-M157 HydrophobicContact CZ3-CE 3.84Å; W128-M157 HydrophobicContact CZ3-CG 4.27Å; W128-M157 HydrophobicContact CZ3-SD 3.88Å; W128-R158 HydrophobicContact CH2-CB 4.27Å; W128-R158 HydrophobicContact CZ2-CB 3.93Å; W128-F161 AromaticContact CH2-CD2 3.73Å; W128-F161 HydrophobicContact CH2-CD2 3.73Å; W128-F161 AromaticContact CH2-CE2 3.54Å; W128-F161 HydrophobicContact CH2-CE2 3.54Å; W128-F161 HydrophobicContact CZ2-CD2 4.46Å; W128-F161 HydrophobicContact CZ2-CE2 4.45Å; W128-F161 HydrophobicContact CZ3-CD2 4.45Å; W128-F161 AromaticContact CZ3-CE2 3.83Å; W128-F161 HydrophobicContact CZ3-CE2 3.83Å; W128-W170 HydrophobicContact CZ2-CH2 4.4Å; W128-W170 HydrophobicContact CZ2-CZ3 4.32Å; W128-E173 PolarHBondContact NE1-OE1 3.34Å; W128-I174 PolarHBondContact N-O 2.94Å; W128-T175 HydrophobicContact CB-CG2 4.32Å; W128-T176 PolarHBondContact O-N 2.73Å; W128-T176 PolarHBondContact O-OG1 3.04Å
129	D	95.4	Very high	88	Confident	4 Å²	4	8.2 Å²	8.2	2%	0.021	6%	0.056	C	C	.	.			trans	-81.4	82.8	171.2	-158.5	-4.2	0	0	0	109.6	F90 P91 Y92 P93 T176 T522	F90-D129 HydrophobicContact CD1-CB 3.94Å; F90-D129 HydrophobicContact CE1-CB 3.42Å; F90-D129 VanDerWaalsContact CE1-CB 3.42Å; F90-D129 HydrophobicContact CE2-CB 4.08Å; F90-D129 HydrophobicContact CG-CB 4.47Å; F90-D129 HydrophobicContact CZ-CB 3.48Å; F90-D129 VanDerWaalsContact CZ-CB 3.48Å; P91-D129 PolarHBondContact O-N 3.08Å; P91-D129 VanDerWaalsContact O-N 3.08Å; Y92-D129 HydrophobicContact CD1-CB 3.85Å; Y92-D129 WeakPolarHBondContact CD1-O 3.39Å; Y92-D129 HydrophobicContact CE1-CB 3.94Å; Y92-D129 VanDerWaalsContact CE1-OD2 3.28Å; Y92-D129 WeakPolarHBondContact CE1-OD2 3.26Å; P93-D129 WeakPolarHBondContact CD-O 3.15Å; D129-T176 PolarHBondContact OD1-OG1 3.23Å; D129-T522 PolarHBondContact OD1-OG1 2.96Å
130	A	93.8	Very high	87.4	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.055	C	C	.	.			trans	-100.1	-11.8	-156.1	0	0	0	0	0	114.7	P93 W128 T150 I154 T175 T176 C177 W455	P93-A130 HydrophobicContact CG-CB 3.91Å; W128-A130 VanDerWaalsContact C-N 3.32Å; W128-A130 HydrophobicContact CB-CB 4.31Å; W128-A130 PolarHBondContact O-N 2.87Å; W128-A130 VanDerWaalsContact O-N 3.08Å; A130-T150 HydrophobicContact CB-CG2 3.7Å; A130-I154 HydrophobicContact CB-CD1 4.3Å; A130-T175 HydrophobicContact CB-CG2 3.65Å; A130-T176 PolarHBondContact N-OG1 2.92Å; A130-C177 HydrophobicContact CB-CB 3.8Å; A130-C177 VanDerWaalsContact CB-SG 3.51Å; A130-W455 PolarHBondContact O-NE1 3.18Å
131	F	91.8	Very high	86.6	Confident	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.082	C	C	.	.			trans	-89.5	174.7	171.9	-88.9	-39.2	0	0	0	112.5	T176 C177 Y182 W455 T457 L481 T522	F131-T176 PolarHBondContact N-OG1 3.18Å; F131-C177 HydrophobicContact CD1-CB 3.54Å; F131-C177 HydrophobicContact CD2-CB 4.03Å; F131-C177 HydrophobicContact CE1-CB 3.55Å; F131-C177 VanDerWaalsContact CE2-CA 3.44Å; F131-C177 HydrophobicContact CE2-CB 4.08Å; F131-C177 HydrophobicContact CG-CB 3.76Å; F131-C177 HydrophobicContact CZ-CB 3.83Å; F131-Y182 AromaticContact CE2-CD1 3.51Å; F131-Y182 HydrophobicContact CE2-CD1 3.51Å; F131-Y182 HydrophobicContact CE2-CE1 4.13Å; F131-Y182 AromaticContact CE2-CG 3.97Å; F131-Y182 HydrophobicContact CE2-CG 3.97Å; F131-Y182 AromaticContact CZ-CD1 3.81Å; F131-Y182 HydrophobicContact CZ-CD1 3.81Å; F131-Y182 AromaticContact CZ-CE1 3.94Å; F131-Y182 HydrophobicContact CZ-CE1 3.94Å; F131-W455 AromaticContact CD1-CD1 3.92Å; F131-W455 AromaticContact CD1-CD2 3.94Å; F131-W455 HydrophobicContact CD1-CD2 3.94Å; F131-W455 AromaticContact CD1-CE2 3.83Å; F131-W455 HydrophobicContact CD1-CG 4.02Å; F131-W455 HydrophobicContact CD1-CZ2 4.35Å; F131-W455 AromaticContact CD1-NE1 3.81Å; F131-W455 AromaticContact CE1-CD2 3.99Å; F131-W455 HydrophobicContact CE1-CD2 3.99Å; F131-W455 HydrophobicContact CE1-CE3 4.17Å; F131-W455 HydrophobicContact CE1-CG 4.47Å; F131-W455 HydrophobicContact CE1-CH2 4.32Å; F131-W455 HydrophobicContact CE1-CZ2 4.19Å; F131-W455 HydrophobicContact CE1-CZ3 4.34Å; F131-T457 WeakPolarHBondContact CD2-OG1 3.11Å; F131-T457 WeakPolarHBondContact CE2-OG1 3.34Å; F131-L481 HydrophobicContact CE1-CD1 3.51Å; F131-L481 HydrophobicContact CZ-CD1 3.67Å; F131-T522 PolarHBondContact O-OG1 3.32Å
132	G	83.3	Confident	86	Confident	11 Å²	11	20 Å²	20	11%	0.113	11%	0.105	C	C	.	.	S	Bend	trans	94.5	177.3	170.9	0	0	0	0	0	115.3	A135 E136 W455	G132-A135 PolarHBondContact O-N 3.3Å; G132-E136 PolarHBondContact O-N 3Å; G132-W455 WeakPolarHBondContact CA-O 3.49Å; G132-W455 PolarHBondContact N-O 2.84Å
133	L	74.2	Confident	85.4	Confident	14 Å²	14	23.1 Å²	23.1	7%	0.073	14%	0.139	C	C	.	.	H	α-helix	trans	-51.7	-40.7	-176	-64.2	175.4	0	0	0	114.6	A135 E136 N137 T213 R228 R453	L133-A135 PolarHBondContact O-N 2.94Å; L133-E136 PolarHBondContact O-N 2.85Å; L133-N137 WeakPolarHBondContact O-CB 3.18Å; L133-N137 PolarHBondContact O-N 3.41Å; L133-T213 HydrophobicContact CD1-CG2 4.28Å; L133-T213 HydrophobicContact CD2-CG2 4.31Å; L133-R228 PolarHBondContact O-NH1 2.95Å; L133-R453 HydrophobicContact CD2-CG 3.77Å; L133-R453 VanDerWaalsContact CD2-NH1 3.31Å
134	P	73.1	Confident	85.1	Confident	23 Å²	23	27 Å²	27	15%	0.149	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-46.4	-175.7	-25.9	36	0	0	0	113	Y92 A138	Y92-P134 HydrophobicContact CD1-CG 4.35Å; P134-A138 WeakPolarHBondContact O-CB 3.07Å; P134-A138 PolarHBondContact O-N 3.05Å
135	A	77.2	Confident	84.7	Confident	3 Å²	3	28.9 Å²	28.9	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-71.3	-41.9	179.9	0	0	0	0	0	111.9	G132 L133 A139	G132-A135 PolarHBondContact O-N 3.3Å; L133-A135 PolarHBondContact O-N 2.94Å; A135-A139 WeakPolarHBondContact O-CB 3.3Å; A135-A139 PolarHBondContact O-N 2.8Å
136	E	79.9	Confident	84.3	Confident	9 Å²	9	28.9 Å²	28.9	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-52.6	-178.2	-165.5	176.4	-154.1	0	0	112.6	G132 L133 A138 A139 V140 P146 R453 Y454 W455	G132-E136 PolarHBondContact O-N 3Å; L133-E136 PolarHBondContact O-N 2.85Å; E136-A138 VanDerWaalsContact C-N 3.33Å; E136-A138 PolarHBondContact O-N 3.11Å; E136-A139 WeakPolarHBondContact O-CB 3.3Å; E136-A139 PolarHBondContact O-N 2.86Å; E136-V140 WeakPolarHBondContact O-CG2 3.48Å; E136-V140 PolarHBondContact O-N 3.07Å; E136-P146 HydrophobicContact CG-CG 4.12Å; E136-R453 IonicContact OE1-NE 3.54Å; E136-R453 IonicContact OE2-CZ 2.94Å; E136-R453 IonicContact OE2-NE 3.98Å; E136-R453 PolarHBondContact OE2-NE 2.61Å; E136-R453 IonicContact OE2-NH2 3.37Å; E136-R453 PolarHBondContact OE2-NH2 3.13Å; E136-Y454 WeakPolarHBondContact OE1-CB 3.29Å; E136-Y454 PolarHBondContact OE1-N 2.91Å; E136-Y454 VanDerWaalsContact OE1-N 3.11Å; E136-W455 HydrophobicContact CB-CB 3.8Å; E136-W455 HydrophobicContact CB-CG 4.49Å; E136-W455 HydrophobicContact CG-CB 3.87Å; E136-W455 PolarHBondContact OE1-N 3.35Å
137	N	75.9	Confident	84	Confident	19 Å²	19	30.4 Å²	30.4	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-39.4	-179	-82.2	17.4	0	0	0	111.5	L133 A139 V140 E141 D211 R228 R453	L133-N137 WeakPolarHBondContact O-CB 3.18Å; L133-N137 PolarHBondContact O-N 3.41Å; N137-A139 VanDerWaalsContact C-N 3.3Å; N137-A139 PolarHBondContact O-N 3.05Å; N137-V140 PolarHBondContact O-N 2.97Å; N137-E141 WeakPolarHBondContact O-CB 3.49Å; N137-E141 WeakPolarHBondContact O-CG 3.46Å; N137-E141 PolarHBondContact O-N 3.41Å; N137-D211 PolarHBondContact ND2-OD1 3.34Å; N137-R228 VanDerWaalsContact CB-CZ 3.46Å; N137-R228 VanDerWaalsContact CG-NH1 3.29Å; N137-R228 PolarHBondContact ND2-NH1 3.4Å; N137-R228 PolarHBondContact ND2-NH2 3.19Å; N137-R453 PolarHBondContact OD1-NH2 3.05Å
138	A	75.4	Confident	83.7	Confident	12 Å²	12	33.8 Å²	33.8	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-40.3	176.6	0	0	0	0	0	111.1	P134 E136 E141 H142 W149	P134-A138 WeakPolarHBondContact O-CB 3.07Å; P134-A138 PolarHBondContact O-N 3.05Å; E136-A138 VanDerWaalsContact C-N 3.33Å; E136-A138 PolarHBondContact O-N 3.11Å; A138-E141 PolarHBondContact O-N 3.47Å; A138-H142 PolarHBondContact O-CD2 2.81Å; A138-H142 VanDerWaalsContact O-CD2 3.23Å; A138-H142 PolarHBondContact O-N 2.84Å; A138-W149 HydrophobicContact CB-CZ2 4.01Å; A138-W149 VanDerWaalsContact CB-NE1 3.31Å
139	A	80.5	Confident	83.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-43.7	174	0	0	0	0	0	112	A135 E136 N137 H142 G143 L144 P146 W149	A135-A139 WeakPolarHBondContact O-CB 3.3Å; A135-A139 PolarHBondContact O-N 2.8Å; E136-A139 WeakPolarHBondContact O-CB 3.3Å; E136-A139 PolarHBondContact O-N 2.86Å; N137-A139 VanDerWaalsContact C-N 3.3Å; N137-A139 PolarHBondContact O-N 3.05Å; A139-H142 CarbonylContact O-C 3.48Å; A139-H142 PolarHBondContact O-N 2.9Å; A139-G143 PolarHBondContact O-N 2.76Å; A139-L144 CarbonylContact C-O 3.54Å; A139-L144 WeakPolarHBondContact CB-O 3.49Å; A139-L144 PolarHBondContact O-N 2.99Å; A139-P146 HydrophobicContact CB-CB 4.19Å; A139-P146 HydrophobicContact CB-CG 4.05Å; A139-W149 HydrophobicContact CB-CB 3.64Å; A139-W149 HydrophobicContact CB-CG 3.84Å
140	V	79.6	Confident	83.1	Confident	53 Å²	53	35 Å²	35	32%	0.321	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-44.6	176.8	171.4	0	0	0	0	111.9	E136 N137 H142 G143 F487	E136-V140 WeakPolarHBondContact O-CG2 3.48Å; E136-V140 PolarHBondContact O-N 3.07Å; N137-V140 PolarHBondContact O-N 2.97Å; V140-H142 PolarHBondContact O-N 2.81Å; V140-G143 PolarHBondContact O-N 2.98Å; V140-F487 HydrophobicContact CG2-CB 4.22Å
141	E	75.9	Confident	83.1	Confident	148 Å²	148	41.8 Å²	41.8	69%	0.692	24%	0.24	S	C	*	.	H	α-helix	trans	-58.3	-32.3	176.2	-76.8	170.2	-161.8	0	0	112.4	N137 A138	N137-E141 WeakPolarHBondContact O-CB 3.49Å; N137-E141 WeakPolarHBondContact O-CG 3.46Å; N137-E141 PolarHBondContact O-N 3.41Å; A138-E141 PolarHBondContact O-N 3.47Å
142	H	78.6	Confident	83.2	Confident	118 Å²	118	44.1 Å²	44.1	55%	0.546	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	0.3	178.4	-76	-74.3	0	0	0	114.2	A138 A139 V140 L144 W149	A138-H142 PolarHBondContact O-CD2 2.81Å; A138-H142 VanDerWaalsContact O-CD2 3.23Å; A138-H142 PolarHBondContact O-N 2.84Å; A139-H142 CarbonylContact O-C 3.48Å; A139-H142 PolarHBondContact O-N 2.9Å; V140-H142 PolarHBondContact O-N 2.81Å; H142-L144 VanDerWaalsContact C-N 3.3Å; H142-L144 HydrophobicContact CB-CD1 4.09Å; H142-L144 HydrophobicContact CB-CG 4.31Å; H142-L144 PolarHBondContact O-N 3.22Å; H142-W149 HydrophobicContact CB-CE3 4.5Å; H142-W149 HydrophobicContact CB-CZ3 4.2Å; H142-W149 AromaticContact CD2-CH2 3.27Å; H142-W149 WeakPolarHBondContact CD2-CH2 3.47Å; H142-W149 AromaticContact CD2-CZ2 3.78Å; H142-W149 AromaticContact CD2-CZ3 3.68Å; H142-W149 AromaticContact CG-CH2 3.93Å; H142-W149 AromaticContact CG-CZ3 3.86Å; H142-W149 AromaticContact NE2-CH2 3.53Å
143	G	82.1	Confident	83.6	Confident	70 Å²	70	44.2 Å²	44.2	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	29.7	-177.7	0	0	0	0	0	113.9	A139 V140	A139-G143 PolarHBondContact O-N 2.76Å; V140-G143 PolarHBondContact O-N 2.98Å
144	L	85.8	Confident	84.6	Confident	83 Å²	83	44.6 Å²	44.6	44%	0.435	26%	0.256	S	S	.	.			trans	-113.9	157.2	-177.2	-66.6	171.9	0	0	0	111.5	A139 H142 W149	A139-L144 CarbonylContact C-O 3.54Å; A139-L144 WeakPolarHBondContact CB-O 3.49Å; A139-L144 PolarHBondContact O-N 2.99Å; H142-L144 VanDerWaalsContact C-N 3.3Å; H142-L144 HydrophobicContact CB-CD1 4.09Å; H142-L144 HydrophobicContact CB-CG 4.31Å; H142-L144 PolarHBondContact O-N 3.22Å; L144-W149 HydrophobicContact CB-CB 4.49Å; L144-W149 HydrophobicContact CD1-CE3 3.63Å; L144-W149 HydrophobicContact CD1-CZ3 4.11Å
145	H	88.4	Confident	85.6	Confident	38 Å²	38	49.2 Å²	49.2	18%	0.176	28%	0.276	C	S	.	.			trans	-69.8	133.9	171.9	-171.9	-75.3	0	0	0	110.3	A147 S148 W149 I484 F487	H145-A147 VanDerWaalsContact C-N 3.3Å; H145-A147 VanDerWaalsContact ND1-CB 3.28Å; H145-A147 WeakPolarHBondContact ND1-CB 3.5Å; H145-A147 PolarHBondContact ND1-N 3Å; H145-A147 PolarHBondContact O-N 2.77Å; H145-S148 PolarHBondContact O-N 2.98Å; H145-W149 PolarHBondContact O-N 3.24Å; H145-I484 PolarHBondContact CD2-O 3.13Å; H145-I484 VanDerWaalsContact CD2-O 3.26Å; H145-I484 PolarHBondContact NE2-O 3.39Å; H145-F487 HydrophobicContact CB-CE2 4.45Å; H145-F487 AromaticContact CD2-CE2 3.47Å; H145-F487 VanDerWaalsContact CD2-CE2 3.47Å; H145-F487 WeakPolarHBondContact CD2-CE2 3.25Å; H145-F487 AromaticContact CD2-CZ 3.5Å; H145-F487 AromaticContact NE2-CZ 3.54Å
146	P	88.4	Confident	86.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-52.9	-40.8	-178.7	-29.9	35.9	0	0	0	114.9	E136 A139 T150 Y454 W455 F487	E136-P146 HydrophobicContact CG-CG 4.12Å; A139-P146 HydrophobicContact CB-CB 4.19Å; A139-P146 HydrophobicContact CB-CG 4.05Å; P146-T150 WeakPolarHBondContact O-CB 3.44Å; P146-T150 PolarHBondContact O-N 3.26Å; P146-T150 PolarHBondContact O-OG1 2.89Å; P146-Y454 HydrophobicContact CG-CD1 4.47Å; P146-W455 HydrophobicContact CB-CB 4.1Å; P146-W455 HydrophobicContact CB-CD2 3.46Å; P146-W455 VanDerWaalsContact CB-CD2 3.46Å; P146-W455 HydrophobicContact CB-CE3 3.72Å; P146-W455 HydrophobicContact CB-CG 3.63Å; P146-W455 HydrophobicContact CB-CZ3 4.41Å; P146-F487 HydrophobicContact CG-CZ 4.5Å
147	A	90.6	Very high	87.1	Confident	33 Å²	33	51.1 Å²	51.1	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-58.1	-51.1	174	0	0	0	0	0	113	H145 T150 Q151 W455	H145-A147 VanDerWaalsContact C-N 3.3Å; H145-A147 VanDerWaalsContact ND1-CB 3.28Å; H145-A147 WeakPolarHBondContact ND1-CB 3.5Å; H145-A147 PolarHBondContact ND1-N 3Å; H145-A147 PolarHBondContact O-N 2.77Å; A147-T150 PolarHBondContact O-N 2.98Å; A147-Q151 WeakPolarHBondContact O-CB 3.41Å; A147-Q151 PolarHBondContact O-N 3.22Å; A147-W455 HydrophobicContact CB-CH2 3.35Å; A147-W455 HydrophobicContact CB-CZ2 4.17Å; A147-W455 HydrophobicContact CB-CZ3 3.77Å
148	S	90.3	Very high	87.9	Confident	70 Å²	70	52.4 Å²	52.4	49%	0.49	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-41.5	-178.3	-53.2	0	0	0	0	111.8	H145 S152	H145-S148 PolarHBondContact O-N 2.98Å; S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 2.74Å; S148-S152 PolarHBondContact O-OG 3.33Å
149	W	89.4	Confident	88.8	Confident	31 Å²	31	56.7 Å²	56.7	12%	0.117	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-52.5	174.7	175.4	-107	0	0	0	111.4	A138 A139 H142 L144 H145 Q151 S152 N153	A138-W149 HydrophobicContact CB-CZ2 4.01Å; A138-W149 VanDerWaalsContact CB-NE1 3.31Å; A139-W149 HydrophobicContact CB-CB 3.64Å; A139-W149 HydrophobicContact CB-CG 3.84Å; H142-W149 HydrophobicContact CB-CE3 4.5Å; H142-W149 HydrophobicContact CB-CZ3 4.2Å; H142-W149 AromaticContact CD2-CH2 3.27Å; H142-W149 WeakPolarHBondContact CD2-CH2 3.47Å; H142-W149 AromaticContact CD2-CZ2 3.78Å; H142-W149 AromaticContact CD2-CZ3 3.68Å; H142-W149 AromaticContact CG-CH2 3.93Å; H142-W149 AromaticContact CG-CZ3 3.86Å; H142-W149 AromaticContact NE2-CH2 3.53Å; L144-W149 HydrophobicContact CB-CB 4.49Å; L144-W149 HydrophobicContact CD1-CE3 3.63Å; L144-W149 HydrophobicContact CD1-CZ3 4.11Å; H145-W149 PolarHBondContact O-N 3.24Å; W149-Q151 PolarHBondContact O-N 3.43Å; W149-S152 PolarHBondContact O-N 2.81Å; W149-S152 PolarHBondContact O-OG 2.69Å; W149-N153 PolarHBondContact NE1-ND2 3.42Å; W149-N153 PolarHBondContact O-N 2.74Å; W149-N153 PolarHBondContact O-ND2 3.36Å
150	T	91.9	Very high	89.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-50.1	177.9	-64.2	0	0	0	0	111.6	P93 A130 P146 A147 S152 N153 I154	P93-T150 HydrophobicContact CG-CG2 3.91Å; A130-T150 HydrophobicContact CB-CG2 3.7Å; P146-T150 WeakPolarHBondContact O-CB 3.44Å; P146-T150 PolarHBondContact O-N 3.26Å; P146-T150 PolarHBondContact O-OG1 2.89Å; A147-T150 PolarHBondContact O-N 2.98Å; T150-S152 VanDerWaalsContact C-N 3.35Å; T150-S152 PolarHBondContact O-N 3.4Å; T150-N153 PolarHBondContact O-N 3.45Å; T150-I154 HydrophobicContact CG2-CD1 3.86Å; T150-I154 HydrophobicContact CG2-CG1 4.47Å; T150-I154 VanDerWaalsContact O-CG1 3.32Å; T150-I154 WeakPolarHBondContact O-CG1 3.35Å; T150-I154 PolarHBondContact O-N 2.92Å
151	Q	92.5	Very high	90	Very high	141 Å²	141	54.2 Å²	54.2	66%	0.659	29%	0.291	S	S	*	.	H	α-helix	trans	-61.9	-41.8	179.9	-172.4	176.8	10.5	0	0	112	A147 W149 N153 I154 Q155	A147-Q151 WeakPolarHBondContact O-CB 3.41Å; A147-Q151 PolarHBondContact O-N 3.22Å; W149-Q151 PolarHBondContact O-N 3.43Å; Q151-N153 VanDerWaalsContact C-N 3.34Å; Q151-N153 PolarHBondContact O-N 2.92Å; Q151-I154 PolarHBondContact O-N 2.98Å; Q151-Q155 PolarHBondContact O-N 3.47Å
152	S	93.3	Very high	90.6	Very high	51 Å²	51	48.9 Å²	48.9	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-38.4	176.9	73.9	0	0	0	0	112.5	S148 W149 T150 H156	S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 2.74Å; S148-S152 PolarHBondContact O-OG 3.33Å; W149-S152 PolarHBondContact O-N 2.81Å; W149-S152 PolarHBondContact O-OG 2.69Å; T150-S152 VanDerWaalsContact C-N 3.35Å; T150-S152 PolarHBondContact O-N 3.4Å; S152-H156 WeakPolarHBondContact O-CB 3.23Å; S152-H156 PolarHBondContact O-N 3.21Å
153	N	92.6	Very high	91.1	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-71.3	-40.2	177.2	-72.4	-25.9	0	0	0	112.1	P93 G95 W149 T150 Q151 H156 M157	P93-N153 HydrophobicContact CB-CB 4.12Å; P93-N153 VanDerWaalsContact O-CB 3.24Å; P93-N153 WeakPolarHBondContact O-CB 3.13Å; P93-N153 PolarHBondContact O-ND2 3.07Å; G95-N153 PolarHBondContact N-ND2 3.44Å; W149-N153 PolarHBondContact NE1-ND2 3.42Å; W149-N153 PolarHBondContact O-N 2.74Å; W149-N153 PolarHBondContact O-ND2 3.36Å; T150-N153 PolarHBondContact O-N 3.45Å; Q151-N153 VanDerWaalsContact C-N 3.34Å; Q151-N153 PolarHBondContact O-N 2.92Å; N153-H156 PolarHBondContact O-N 3.49Å; N153-M157 WeakPolarHBondContact O-CB 3.5Å; N153-M157 VanDerWaalsContact O-CG 3.23Å; N153-M157 WeakPolarHBondContact O-CG 3.36Å; N153-M157 PolarHBondContact O-N 2.75Å
154	I	95.1	Very high	91.5	Very high	22 Å²	22	41.4 Å²	41.4	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-52.2	173.2	-74	172.9	0	0	0	109.6	P93 W128 A130 T150 Q151 H156 M157 R158 T175	P93-I154 HydrophobicContact CB-CD1 4.46Å; P93-I154 HydrophobicContact CB-CG1 3.6Å; P93-I154 HydrophobicContact CG-CD1 4.37Å; P93-I154 HydrophobicContact CG-CG1 4.02Å; W128-I154 HydrophobicContact CB-CD1 3.84Å; W128-I154 HydrophobicContact CB-CG1 3.97Å; W128-I154 HydrophobicContact CD2-CB 4.26Å; W128-I154 HydrophobicContact CD2-CD1 4.47Å; W128-I154 HydrophobicContact CD2-CG1 3.78Å; W128-I154 HydrophobicContact CD2-CG2 3.97Å; W128-I154 HydrophobicContact CE3-CG1 4.15Å; W128-I154 HydrophobicContact CG-CB 4.45Å; W128-I154 HydrophobicContact CG-CD1 3.84Å; W128-I154 HydrophobicContact CG-CG1 3.67Å; W128-I154 HydrophobicContact CG-CG2 4.11Å; W128-I154 HydrophobicContact CZ2-CG2 4.09Å; A130-I154 HydrophobicContact CB-CD1 4.3Å; T150-I154 HydrophobicContact CG2-CD1 3.86Å; T150-I154 HydrophobicContact CG2-CG1 4.47Å; T150-I154 VanDerWaalsContact O-CG1 3.32Å; T150-I154 WeakPolarHBondContact O-CG1 3.35Å; T150-I154 PolarHBondContact O-N 2.92Å; Q151-I154 PolarHBondContact O-N 2.98Å; I154-H156 VanDerWaalsContact C-N 3.33Å; I154-H156 PolarHBondContact O-N 3.28Å; I154-M157 PolarHBondContact O-N 3.05Å; I154-R158 WeakPolarHBondContact O-CB 3.43Å; I154-R158 PolarHBondContact O-N 3.34Å; I154-T175 HydrophobicContact CD1-CG2 3.51Å
155	Q	94.9	Very high	91.7	Very high	119 Å²	119	37.7 Å²	37.7	56%	0.556	20%	0.2	S	C	*	.	H	α-helix	trans	-56.5	-49.7	178.1	-179.7	-178.2	-7.4	0	0	110.9	Q151 R158 E159	Q151-Q155 PolarHBondContact O-N 3.47Å; Q155-R158 WeakPolarHBondContact O-CB 3.38Å; Q155-R158 PolarHBondContact O-N 3.02Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.18Å; Q155-E159 PolarHBondContact NE2-OE1 2.96Å; Q155-E159 VanDerWaalsContact NE2-OE1 3.07Å; Q155-E159 WeakPolarHBondContact O-CG 3.49Å; Q155-E159 PolarHBondContact O-N 3.44Å
156	H	93.4	Very high	91.8	Very high	51 Å²	51	36.1 Å²	36.1	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-51	-179.1	-174	58.6	0	0	0	111.7	K96 S152 N153 I154 R158 E159 Q160	K96-H156 WeakPolarHBondContact CE-NE2 3.4Å; S152-H156 WeakPolarHBondContact O-CB 3.23Å; S152-H156 PolarHBondContact O-N 3.21Å; N153-H156 PolarHBondContact O-N 3.49Å; I154-H156 VanDerWaalsContact C-N 3.33Å; I154-H156 PolarHBondContact O-N 3.28Å; H156-R158 VanDerWaalsContact C-N 3.27Å; H156-R158 PolarHBondContact O-N 3.46Å; H156-E159 CarbonylContact O-C 3.57Å; H156-E159 WeakPolarHBondContact O-CA 3.06Å; H156-E159 WeakPolarHBondContact O-CB 3.36Å; H156-E159 PolarHBondContact O-N 2.76Å; H156-E159 VanDerWaalsContact O-N 3.11Å; H156-Q160 VanDerWaalsContact O-CG 3.25Å; H156-Q160 WeakPolarHBondContact O-CG 3.33Å; H156-Q160 PolarHBondContact O-N 2.94Å
157	M	94.1	Very high	91.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-34	178.8	-69.1	170.5	76.7	0	0	112.4	P91 P93 G95 L97 W128 N153 I154 Q160 F161	P91-M157 HydrophobicContact CB-CE 3.66Å; P91-M157 HydrophobicContact CG-CE 3.69Å; P93-M157 HydrophobicContact CB-SD 4.23Å; G95-M157 WeakPolarHBondContact O-CG 3.46Å; L97-M157 HydrophobicContact CD2-CE 3.51Å; L97-M157 HydrophobicContact CD2-CG 4.48Å; L97-M157 HydrophobicContact CG-CE 4.36Å; L97-M157 HydrophobicContact CG-CG 4.36Å; W128-M157 HydrophobicContact CE3-CE 4.47Å; W128-M157 HydrophobicContact CE3-SD 4.42Å; W128-M157 HydrophobicContact CH2-CB 3.53Å; W128-M157 HydrophobicContact CZ3-CB 3.43Å; W128-M157 VanDerWaalsContact CZ3-CB 3.43Å; W128-M157 HydrophobicContact CZ3-CE 3.84Å; W128-M157 HydrophobicContact CZ3-CG 4.27Å; W128-M157 HydrophobicContact CZ3-SD 3.88Å; N153-M157 WeakPolarHBondContact O-CB 3.5Å; N153-M157 VanDerWaalsContact O-CG 3.23Å; N153-M157 WeakPolarHBondContact O-CG 3.36Å; N153-M157 PolarHBondContact O-N 2.75Å; I154-M157 PolarHBondContact O-N 3.05Å; M157-Q160 PolarHBondContact O-N 3.31Å; M157-F161 VanDerWaalsContact O-CD2 3.24Å; M157-F161 WeakPolarHBondContact O-CD2 3.41Å; M157-F161 WeakPolarHBondContact O-CG 3.38Å; M157-F161 PolarHBondContact O-N 3.02Å
158	R	93.7	Very high	92	Very high	45 Å²	45	35 Å²	35	17%	0.17	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-44.4	173.6	-175.9	71.4	-173.9	81.6	3.6	111.2	W128 I154 Q155 H156 Q160 F161 D162 W170 E173	W128-R158 HydrophobicContact CH2-CB 4.27Å; W128-R158 HydrophobicContact CZ2-CB 3.93Å; I154-R158 WeakPolarHBondContact O-CB 3.43Å; I154-R158 PolarHBondContact O-N 3.34Å; Q155-R158 WeakPolarHBondContact O-CB 3.38Å; Q155-R158 PolarHBondContact O-N 3.02Å; H156-R158 VanDerWaalsContact C-N 3.27Å; H156-R158 PolarHBondContact O-N 3.46Å; R158-Q160 VanDerWaalsContact C-N 3.35Å; R158-F161 PolarHBondContact O-N 3.19Å; R158-D162 IonicContact CZ-OD1 3.17Å; R158-D162 IonicContact CZ-OD2 2.69Å; R158-D162 IonicContact NH1-OD1 2.75Å; R158-D162 PolarHBondContact NH1-OD1 3.37Å; R158-D162 IonicContact NH1-OD2 3.12Å; R158-D162 PolarHBondContact NH1-OD2 3.05Å; R158-D162 IonicContact NH2-OD1 2.8Å; R158-D162 PolarHBondContact O-N 3.42Å; R158-W170 VanDerWaalsContact CD-CH2 3.43Å; R158-W170 VanDerWaalsContact CZ-CZ2 3.42Å; R158-W170 VanDerWaalsContact NE-CD2 3.33Å; R158-W170 VanDerWaalsContact NH2-CE2 3.28Å; R158-W170 VanDerWaalsContact NH2-NE1 3.2Å; R158-E173 IonicContact NE-OE2 2.74Å
159	E	93.2	Very high	92.2	Very high	102 Å²	102	31.7 Å²	31.7	48%	0.477	16%	0.16	S	C	.	.	H	α-helix	trans	-63.6	-38.7	172.9	-68.5	166.7	-173.9	0	0	111.4	Q155 H156 D162 A163	Q155-E159 WeakPolarHBondContact CG-OE1 3.18Å; Q155-E159 PolarHBondContact NE2-OE1 2.96Å; Q155-E159 VanDerWaalsContact NE2-OE1 3.07Å; Q155-E159 WeakPolarHBondContact O-CG 3.49Å; Q155-E159 PolarHBondContact O-N 3.44Å; H156-E159 CarbonylContact O-C 3.57Å; H156-E159 WeakPolarHBondContact O-CA 3.06Å; H156-E159 WeakPolarHBondContact O-CB 3.36Å; H156-E159 PolarHBondContact O-N 2.76Å; H156-E159 VanDerWaalsContact O-N 3.11Å; E159-D162 PolarHBondContact O-N 2.87Å; E159-A163 VanDerWaalsContact O-CB 3.27Å; E159-A163 WeakPolarHBondContact O-CB 3.38Å; E159-A163 PolarHBondContact O-N 2.67Å
160	Q	92.6	Very high	92.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-45.1	175.7	-57.8	-158.5	-80.6	0	0	111.9	L97 H156 M157 R158 D162 A163 L164 E652	L97-Q160 HydrophobicContact CD1-CB 3.65Å; L97-Q160 HydrophobicContact CG-CB 4.28Å; H156-Q160 VanDerWaalsContact O-CG 3.25Å; H156-Q160 WeakPolarHBondContact O-CG 3.33Å; H156-Q160 PolarHBondContact O-N 2.94Å; M157-Q160 PolarHBondContact O-N 3.31Å; R158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-D162 VanDerWaalsContact C-N 3.31Å; Q160-D162 PolarHBondContact O-N 2.82Å; Q160-A163 PolarHBondContact O-N 2.99Å; Q160-L164 WeakPolarHBondContact O-CB 3.43Å; Q160-L164 WeakPolarHBondContact O-CD1 3.4Å; Q160-L164 WeakPolarHBondContact O-CG 3.37Å; Q160-L164 PolarHBondContact O-N 3.3Å; Q160-E652 VanDerWaalsContact CG-OE1 3.29Å; Q160-E652 WeakPolarHBondContact CG-OE1 3.39Å; Q160-E652 PolarHBondContact NE2-OE1 3.34Å
161	F	92.8	Very high	92.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-45.8	175.9	-77.1	-45.3	0	0	0	111.8	P91 L97 Y105 M126 W128 M157 R158 L164 G165 L166 F168 W170	P91-F161 HydrophobicContact CG-CE2 4.36Å; P91-F161 HydrophobicContact CG-CZ 4.22Å; L97-F161 HydrophobicContact CD1-CD1 3.61Å; L97-F161 HydrophobicContact CD1-CE1 3.52Å; L97-F161 HydrophobicContact CD1-CG 4.17Å; L97-F161 HydrophobicContact CD1-CZ 4.07Å; L97-F161 HydrophobicContact CD2-CE1 3.91Å; L97-F161 HydrophobicContact CD2-CZ 3.8Å; L97-F161 HydrophobicContact CG-CE1 4.4Å; Y105-F161 HydrophobicContact CD2-CD1 4.41Å; Y105-F161 AromaticContact CD2-CE1 3.3Å; Y105-F161 HydrophobicContact CD2-CE1 3.3Å; Y105-F161 AromaticContact CD2-CZ 3.78Å; Y105-F161 HydrophobicContact CD2-CZ 3.78Å; Y105-F161 AromaticContact CE2-CE1 3.54Å; Y105-F161 HydrophobicContact CE2-CE1 3.54Å; Y105-F161 AromaticContact CE2-CZ 3.5Å; Y105-F161 HydrophobicContact CE2-CZ 3.5Å; Y105-F161 HydrophobicContact CG-CE1 4.04Å; M126-F161 HydrophobicContact CG-CE2 4.17Å; W128-F161 AromaticContact CH2-CD2 3.73Å; W128-F161 HydrophobicContact CH2-CD2 3.73Å; W128-F161 AromaticContact CH2-CE2 3.54Å; W128-F161 HydrophobicContact CH2-CE2 3.54Å; W128-F161 HydrophobicContact CZ2-CD2 4.46Å; W128-F161 HydrophobicContact CZ2-CE2 4.45Å; W128-F161 HydrophobicContact CZ3-CD2 4.45Å; W128-F161 AromaticContact CZ3-CE2 3.83Å; W128-F161 HydrophobicContact CZ3-CE2 3.83Å; M157-F161 VanDerWaalsContact O-CD2 3.24Å; M157-F161 WeakPolarHBondContact O-CD2 3.41Å; M157-F161 WeakPolarHBondContact O-CG 3.38Å; M157-F161 PolarHBondContact O-N 3.02Å; R158-F161 PolarHBondContact O-N 3.19Å; F161-L164 PolarHBondContact O-N 2.99Å; F161-G165 PolarHBondContact O-N 2.78Å; F161-L166 HydrophobicContact CD1-CD1 3.61Å; F161-L166 HydrophobicContact CE1-CD1 4.14Å; F161-L166 PolarHBondContact O-N 3.39Å; F161-F168 HydrophobicContact CB-CE2 4.43Å; F161-F168 AromaticContact CD1-CE2 4Å; F161-F168 HydrophobicContact CD1-CE2 4Å; F161-F168 HydrophobicContact CE1-CE2 4.39Å; F161-F168 HydrophobicContact CG-CE2 4.12Å; F161-W170 HydrophobicContact CB-CH2 4.43Å; F161-W170 HydrophobicContact CB-CZ2 4.02Å; F161-W170 AromaticContact CD2-CH2 3.81Å; F161-W170 HydrophobicContact CD2-CH2 3.81Å; F161-W170 HydrophobicContact CD2-CZ2 4.24Å; F161-W170 HydrophobicContact CE2-CH2 4.49Å; F161-W170 HydrophobicContact CG-CH2 4.42Å; F161-W170 HydrophobicContact CG-CZ2 4.41Å
162	D	89.1	Confident	92.4	Very high	36 Å²	36	28.4 Å²	28.4	19%	0.193	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-56.3	172	-83	-15.5	0	0	0	109.6	F64 K68 R158 E159 Q160 L164 G165	F64-D162 WeakPolarHBondContact CE2-O 3.36Å; F64-D162 WeakPolarHBondContact CZ-O 3.47Å; K68-D162 IonicContact NZ-OD1 2.7Å; K68-D162 PolarHBondContact NZ-OD1 3.11Å; K68-D162 IonicContact NZ-OD2 2.88Å; K68-D162 PolarHBondContact NZ-OD2 3.34Å; R158-D162 IonicContact CZ-OD1 3.17Å; R158-D162 IonicContact CZ-OD2 2.69Å; R158-D162 IonicContact NH1-OD1 2.75Å; R158-D162 PolarHBondContact NH1-OD1 3.37Å; R158-D162 IonicContact NH1-OD2 3.12Å; R158-D162 PolarHBondContact NH1-OD2 3.05Å; R158-D162 IonicContact NH2-OD1 2.8Å; R158-D162 PolarHBondContact O-N 3.42Å; E159-D162 PolarHBondContact O-N 2.87Å; Q160-D162 VanDerWaalsContact C-N 3.31Å; Q160-D162 PolarHBondContact O-N 2.82Å; D162-L164 PolarHBondContact O-N 3.06Å; D162-G165 PolarHBondContact O-N 2.62Å
163	A	89.9	Confident	92.5	Very high	27 Å²	27	29.1 Å²	29.1	22%	0.223	14%	0.142	C	C	.	.	H	α-helix	trans	-56.1	-26.5	-177.4	0	0	0	0	0	114.2	E159 Q160 K655	E159-A163 VanDerWaalsContact O-CB 3.27Å; E159-A163 WeakPolarHBondContact O-CB 3.38Å; E159-A163 PolarHBondContact O-N 2.67Å; Q160-A163 PolarHBondContact O-N 2.99Å; A163-K655 WeakPolarHBondContact O-CD 3.35Å; A163-K655 VanDerWaalsContact O-CE 3.28Å; A163-K655 WeakPolarHBondContact O-CE 3.44Å; A163-K655 PolarHBondContact O-NZ 2.98Å
164	L	90.4	Very high	92.8	Very high	5 Å²	5	29 Å²	29	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3	-180	-66.8	166.6	0	0	0	114.1	L97 L102 Q160 F161 D162 L166 P651 K655 I660	L97-L164 HydrophobicContact CD1-CD1 4.24Å; L102-L164 HydrophobicContact CD1-CB 4.27Å; L102-L164 HydrophobicContact CD1-CD1 4.07Å; L102-L164 HydrophobicContact CD2-CD1 4.48Å; L102-L164 HydrophobicContact CD2-CD2 4.28Å; Q160-L164 WeakPolarHBondContact O-CB 3.43Å; Q160-L164 WeakPolarHBondContact O-CD1 3.4Å; Q160-L164 WeakPolarHBondContact O-CG 3.37Å; Q160-L164 PolarHBondContact O-N 3.3Å; F161-L164 PolarHBondContact O-N 2.99Å; D162-L164 PolarHBondContact O-N 3.06Å; L164-L166 VanDerWaalsContact C-N 3.29Å; L164-L166 HydrophobicContact CB-CD1 4.48Å; L164-L166 HydrophobicContact CB-CG 4.48Å; L164-L166 PolarHBondContact O-N 3.18Å; L164-P651 HydrophobicContact CD1-CB 3.85Å; L164-P651 HydrophobicContact CD1-CG 4.45Å; L164-P651 HydrophobicContact CD2-CB 3.81Å; L164-P651 HydrophobicContact CG-CB 4.5Å; L164-K655 HydrophobicContact CD2-CB 4.45Å; L164-I660 VanDerWaalsContact O-CG2 3.24Å; L164-I660 WeakPolarHBondContact O-CG2 3.36Å
165	G	88.8	Confident	92.9	Very high	5 Å²	5	28.8 Å²	28.8	5%	0.052	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	23.4	175.6	0	0	0	0	0	114.3	F161 D162	F161-G165 PolarHBondContact O-N 2.78Å; D162-G165 PolarHBondContact O-N 2.62Å
166	L	91.4	Very high	93.1	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.026	11%	0.114	C	C	.	.			trans	-83.7	131.2	174.1	-66.3	169.7	0	0	0	109.5	L102 Y105 D109 F161 L164 F168	L102-L166 HydrophobicContact CD1-CD1 3.65Å; L102-L166 HydrophobicContact CD1-CD2 4.25Å; L102-L166 HydrophobicContact CD1-CG 4.16Å; Y105-L166 WeakPolarHBondContact O-CD2 3.46Å; D109-L166 HydrophobicContact CB-CD2 4.13Å; F161-L166 HydrophobicContact CD1-CD1 3.61Å; F161-L166 HydrophobicContact CE1-CD1 4.14Å; F161-L166 PolarHBondContact O-N 3.39Å; L164-L166 VanDerWaalsContact C-N 3.29Å; L164-L166 HydrophobicContact CB-CD1 4.48Å; L164-L166 HydrophobicContact CB-CG 4.48Å; L164-L166 PolarHBondContact O-N 3.18Å; L166-F168 HydrophobicContact CB-CD2 4.36Å; L166-F168 HydrophobicContact CB-CE2 3.74Å; L166-F168 HydrophobicContact CB-CZ 4.34Å; L166-F168 HydrophobicContact CD1-CE2 4.4Å
167	S	90	Very high	93.2	Very high	8 Å²	8	21.4 Å²	21.4	6%	0.056	11%	0.108	C	C	.	.			trans	-109.4	119.1	180	-59.5	0	0	0	0	111.1	F71 D109 R113 N124	F71-S167 WeakPolarHBondContact CE1-O 3.41Å; F71-S167 WeakPolarHBondContact CZ-O 3.4Å; D109-S167 WeakPolarHBondContact OD1-CA 3.44Å; D109-S167 VanDerWaalsContact OD1-CB 3.29Å; D109-S167 WeakPolarHBondContact OD1-CB 3.4Å; D109-S167 PolarHBondContact OD1-N 3.18Å; R113-S167 VanDerWaalsContact NH2-CB 3.32Å; R113-S167 PolarHBondContact NH2-OG 2.88Å; N124-S167 PolarHBondContact ND2-O 3.23Å
168	F	93.6	Very high	93.4	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.128	C	C	.	.			trans	-121.5	160.6	175.3	-59	-79.2	0	0	0	110.4	Y105 N124 M126 F161 L166 W170	Y105-F168 HydrophobicContact CD1-CE1 4.37Å; Y105-F168 HydrophobicContact CD1-CZ 4.03Å; Y105-F168 AromaticContact CG-CZ 4Å; Y105-F168 HydrophobicContact CG-CZ 4Å; N124-F168 WeakPolarHBondContact ND2-CD1 3.17Å; N124-F168 CarbonylContact O-C 3.51Å; N124-F168 WeakPolarHBondContact O-CA 3.4Å; N124-F168 WeakPolarHBondContact O-CB 3.45Å; N124-F168 WeakPolarHBondContact O-CD1 3.35Å; M126-F168 HydrophobicContact CB-CB 3.94Å; M126-F168 HydrophobicContact CB-CD1 3.76Å; M126-F168 HydrophobicContact CB-CD2 4.11Å; M126-F168 HydrophobicContact CB-CE1 4.21Å; M126-F168 HydrophobicContact CB-CE2 4.48Å; M126-F168 HydrophobicContact CB-CG 3.68Å; M126-F168 HydrophobicContact CE-CD1 3.98Å; M126-F168 HydrophobicContact CE-CE1 3.33Å; M126-F168 HydrophobicContact CE-CE2 4.43Å; M126-F168 HydrophobicContact CE-CZ 3.57Å; M126-F168 HydrophobicContact CG-CD2 4.45Å; M126-F168 HydrophobicContact CG-CE2 4.41Å; M126-F168 HydrophobicContact CG-CG 4.45Å; M126-F168 HydrophobicContact CG-CZ 4.42Å; F161-F168 HydrophobicContact CB-CE2 4.43Å; F161-F168 AromaticContact CD1-CE2 4Å; F161-F168 HydrophobicContact CD1-CE2 4Å; F161-F168 HydrophobicContact CE1-CE2 4.39Å; F161-F168 HydrophobicContact CG-CE2 4.12Å; L166-F168 HydrophobicContact CB-CD2 4.36Å; L166-F168 HydrophobicContact CB-CE2 3.74Å; L166-F168 HydrophobicContact CB-CZ 4.34Å; L166-F168 HydrophobicContact CD1-CE2 4.4Å; F168-W170 HydrophobicContact CB-CD2 4.04Å; F168-W170 HydrophobicContact CB-CG 4.37Å; F168-W170 HydrophobicContact CB-CZ2 4.05Å; F168-W170 AromaticContact CD2-CE2 3.79Å; F168-W170 AromaticContact CD2-CH2 4Å; F168-W170 HydrophobicContact CD2-CH2 4Å; F168-W170 AromaticContact CD2-CZ2 3.34Å; F168-W170 HydrophobicContact CD2-CZ2 3.34Å; F168-W170 HydrophobicContact CE2-CZ2 4.11Å; F168-W170 HydrophobicContact CG-CZ2 4.08Å; F168-W170 VanDerWaalsContact O-CD1 3.23Å; F168-W170 PolarHBondContact O-N 2.87Å
169	T	92.8	Very high	93.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.131	C	C	.	.			trans	-77.7	73.1	172.3	-54.3	0	0	0	0	109.2	I74 N124 E171 R172	I74-T169 HydrophobicContact CD1-CG2 3.43Å; I74-T169 VanDerWaalsContact CD1-CG2 3.43Å; N124-T169 PolarHBondContact N-OG1 3.42Å; N124-T169 VanDerWaalsContact N-OG1 3.13Å; N124-T169 PolarHBondContact O-N 3.31Å; T169-E171 HydrophobicContact CG2-CG 4.08Å; T169-E171 WeakPolarHBondContact CG2-OE1 3.46Å; T169-E171 PolarHBondContact O-N 3.37Å; T169-R172 HydrophobicContact CG2-CB 4.29Å; T169-R172 HydrophobicContact CG2-CG 3.93Å; T169-R172 WeakPolarHBondContact O-CB 3.33Å; T169-R172 PolarHBondContact O-N 3.25Å
170	W	92.3	Very high	93.7	Very high	25 Å²	25	26 Å²	26	10%	0.095	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-68	-19.7	-172.1	-68.5	114.3	0	0	0	114.2	M126 W128 R158 F161 F168 R172 E173	M126-W170 HydrophobicContact CB-CE3 4.37Å; M126-W170 HydrophobicContact CB-CH2 3.82Å; M126-W170 HydrophobicContact CB-CZ3 3.75Å; M126-W170 HydrophobicContact CG-CH2 3.72Å; M126-W170 HydrophobicContact CG-CZ3 3.92Å; W128-W170 HydrophobicContact CZ2-CH2 4.4Å; W128-W170 HydrophobicContact CZ2-CZ3 4.32Å; R158-W170 VanDerWaalsContact CD-CH2 3.43Å; R158-W170 VanDerWaalsContact CZ-CZ2 3.42Å; R158-W170 VanDerWaalsContact NE-CD2 3.33Å; R158-W170 VanDerWaalsContact NH2-CE2 3.28Å; R158-W170 VanDerWaalsContact NH2-NE1 3.2Å; F161-W170 HydrophobicContact CB-CH2 4.43Å; F161-W170 HydrophobicContact CB-CZ2 4.02Å; F161-W170 AromaticContact CD2-CH2 3.81Å; F161-W170 HydrophobicContact CD2-CH2 3.81Å; F161-W170 HydrophobicContact CD2-CZ2 4.24Å; F161-W170 HydrophobicContact CE2-CH2 4.49Å; F161-W170 HydrophobicContact CG-CH2 4.42Å; F161-W170 HydrophobicContact CG-CZ2 4.41Å; F168-W170 HydrophobicContact CB-CD2 4.04Å; F168-W170 HydrophobicContact CB-CG 4.37Å; F168-W170 HydrophobicContact CB-CZ2 4.05Å; F168-W170 AromaticContact CD2-CE2 3.79Å; F168-W170 AromaticContact CD2-CH2 4Å; F168-W170 HydrophobicContact CD2-CH2 4Å; F168-W170 AromaticContact CD2-CZ2 3.34Å; F168-W170 HydrophobicContact CD2-CZ2 3.34Å; F168-W170 HydrophobicContact CE2-CZ2 4.11Å; F168-W170 HydrophobicContact CG-CZ2 4.08Å; F168-W170 VanDerWaalsContact O-CD1 3.23Å; F168-W170 PolarHBondContact O-N 2.87Å; W170-R172 PolarHBondContact O-N 2.93Å; W170-R172 VanDerWaalsContact O-N 3.09Å; W170-E173 HydrophobicContact CE3-CB 4.3Å; W170-E173 HydrophobicContact CE3-CG 4.28Å; W170-E173 HydrophobicContact CZ3-CG 4.44Å; W170-E173 VanDerWaalsContact O-CB 3.28Å; W170-E173 WeakPolarHBondContact O-CB 3.44Å; W170-E173 PolarHBondContact O-N 2.8Å
171	E	91.6	Very high	94	Very high	70 Å²	70	26.2 Å²	26.2	33%	0.327	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-62.3	-13.2	168.5	69.3	-87.8	-158.8	0	0	112.7	I74 T169 H537	I74-E171 WeakPolarHBondContact CD1-OE1 3.48Å; T169-E171 HydrophobicContact CG2-CG 4.08Å; T169-E171 WeakPolarHBondContact CG2-OE1 3.46Å; T169-E171 PolarHBondContact O-N 3.37Å; E171-H537 PolarHBondContact O-NE2 3.11Å
172	R	94.4	Very high	94.3	Very high	8 Å²	8	26.6 Å²	26.6	3%	0.03	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-105.4	17.8	175.3	-64	173.3	179.5	-85.5	-7.4	113.6	E76 P125 T169 W170 Y533 T534 P536	E76-R172 IonicContact OE1-CZ 3.05Å; E76-R172 IonicContact OE1-NH2 3.34Å; E76-R172 PolarHBondContact OE1-NH2 2.91Å; P125-R172 HydrophobicContact CB-CB 4.21Å; T169-R172 HydrophobicContact CG2-CB 4.29Å; T169-R172 HydrophobicContact CG2-CG 3.93Å; T169-R172 WeakPolarHBondContact O-CB 3.33Å; T169-R172 PolarHBondContact O-N 3.25Å; W170-R172 PolarHBondContact O-N 2.93Å; W170-R172 VanDerWaalsContact O-N 3.09Å; R172-Y533 HydrophobicContact CB-CD1 4.43Å; R172-Y533 WeakPolarHBondContact CD-O 3.47Å; R172-Y533 PolarHBondContact NH1-O 2.91Å; R172-Y533 WeakPolarHBondContact O-CD1 3.5Å; R172-Y533 VanDerWaalsContact O-CE1 3.31Å; R172-Y533 WeakPolarHBondContact O-CE1 3.39Å; R172-T534 PolarHBondContact NH1-O 3.37Å; R172-P536 HydrophobicContact CB-CG 3.83Å; R172-P536 HydrophobicContact CG-CG 3.9Å
173	E	96.9	Very high	94.7	Very high	65 Å²	65	27.7 Å²	27.7	30%	0.304	14%	0.142	S	C	.	.			trans	-60.2	136.1	179	-173.8	170.7	-168.4	0	0	112.3	M126 W128 R158 W170	M126-E173 WeakPolarHBondContact O-CA 3.07Å; W128-E173 PolarHBondContact NE1-OE1 3.34Å; R158-E173 IonicContact NE-OE2 2.74Å; W170-E173 HydrophobicContact CE3-CB 4.3Å; W170-E173 HydrophobicContact CE3-CG 4.28Å; W170-E173 HydrophobicContact CZ3-CG 4.44Å; W170-E173 VanDerWaalsContact O-CB 3.28Å; W170-E173 WeakPolarHBondContact O-CB 3.44Å; W170-E173 PolarHBondContact O-N 2.8Å
174	I	97.9	Very high	95.2	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.051	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.3	175.3	69.3	-175.9	0	0	0	110.1	G127 W128 Y181 Y529 R532 Y533 P536	G127-I174 CarbonylContact C-O 3.57Å; G127-I174 WeakPolarHBondContact CA-O 3.27Å; W128-I174 PolarHBondContact N-O 2.94Å; I174-Y181 HydrophobicContact CB-CD2 4.24Å; I174-Y181 HydrophobicContact CD1-CD2 4.34Å; I174-Y181 HydrophobicContact CD1-CE2 3.81Å; I174-Y529 HydrophobicContact CD1-CD2 4.27Å; I174-R532 HydrophobicContact CG2-CG 4.07Å; I174-Y533 HydrophobicContact CB-CE1 4.29Å; I174-Y533 HydrophobicContact CD1-CD1 3.94Å; I174-Y533 HydrophobicContact CD1-CD2 4.45Å; I174-Y533 HydrophobicContact CD1-CE1 3.5Å; I174-Y533 VanDerWaalsContact CD1-CE1 3.5Å; I174-Y533 HydrophobicContact CD1-CE2 4.07Å; I174-Y533 HydrophobicContact CD1-CG 4.38Å; I174-Y533 HydrophobicContact CG1-CD1 4.22Å; I174-Y533 HydrophobicContact CG1-CE1 3.48Å; I174-Y533 VanDerWaalsContact CG1-CE1 3.48Å; I174-Y533 HydrophobicContact CG2-CD1 4.1Å; I174-Y533 HydrophobicContact CG2-CE1 4.08Å; I174-P536 HydrophobicContact CG2-CB 3.68Å
175	T	97.9	Very high	95.6	Very high	18 Å²	18	26.8 Å²	26.8	11%	0.11	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.8	174.2	-58.2	0	0	0	0	108.4	W128 A130 I154 C177 L178 Y181	W128-T175 HydrophobicContact CB-CG2 4.32Å; A130-T175 HydrophobicContact CB-CG2 3.65Å; I154-T175 HydrophobicContact CD1-CG2 3.51Å; T175-C177 PolarHBondContact O-N 3.1Å; T175-L178 HydrophobicContact CG2-CD1 4.28Å; T175-L178 HydrophobicContact CG2-CG 3.9Å; T175-L178 PolarHBondContact O-N 3.22Å; T175-L178 VanDerWaalsContact O-N 3.13Å; T175-Y181 WeakPolarHBondContact O-CB 3.29Å
176	T	98	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.6	-169.6	60.7	0	0	0	0	113.7	F90 W128 D129 A130 F131 L178 Y181 D525	F90-T176 HydrophobicContact CE2-CG2 3.77Å; F90-T176 HydrophobicContact CZ-CG2 3.98Å; W128-T176 PolarHBondContact O-N 2.73Å; W128-T176 PolarHBondContact O-OG1 3.04Å; D129-T176 PolarHBondContact OD1-OG1 3.23Å; A130-T176 PolarHBondContact N-OG1 2.92Å; F131-T176 PolarHBondContact N-OG1 3.18Å; T176-L178 VanDerWaalsContact C-N 3.29Å; T176-L178 PolarHBondContact O-N 3.26Å; T176-Y181 VanDerWaalsContact CA-CD1 3.49Å; T176-Y181 HydrophobicContact CG2-CD1 4.07Å; T176-Y181 HydrophobicContact CG2-CE1 3.67Å; T176-D525 HydrophobicContact CG2-CB 4.02Å
177	C	96.4	Very high	96.4	Very high	15 Å²	15	29 Å²	29	10%	0.101	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.7	178.7	76.3	0	0	0	0	115.2	A130 F131 T175 Y182 W455	A130-C177 HydrophobicContact CB-CB 3.8Å; A130-C177 VanDerWaalsContact CB-SG 3.51Å; F131-C177 HydrophobicContact CD1-CB 3.54Å; F131-C177 HydrophobicContact CD2-CB 4.03Å; F131-C177 HydrophobicContact CE1-CB 3.55Å; F131-C177 VanDerWaalsContact CE2-CA 3.44Å; F131-C177 HydrophobicContact CE2-CB 4.08Å; F131-C177 HydrophobicContact CG-CB 3.76Å; F131-C177 HydrophobicContact CZ-CB 3.83Å; T175-C177 PolarHBondContact O-N 3.1Å; C177-Y182 WeakPolarHBondContact O-CE1 3.33Å; C177-W455 HydrophobicContact CB-CH2 4.41Å; C177-W455 HydrophobicContact CB-CZ2 3.75Å
178	L	97.2	Very high	96.8	Very high	81 Å²	81	28.6 Å²	28.6	42%	0.424	14%	0.137	S	C	.	.	S	Bend	trans	-88.4	141	178.9	-67.2	-177.1	0	0	0	111.4	T175 T176 E180 Y181 Y182	T175-L178 HydrophobicContact CG2-CD1 4.28Å; T175-L178 HydrophobicContact CG2-CG 3.9Å; T175-L178 PolarHBondContact O-N 3.22Å; T175-L178 VanDerWaalsContact O-N 3.13Å; T176-L178 VanDerWaalsContact C-N 3.29Å; T176-L178 PolarHBondContact O-N 3.26Å; L178-E180 WeakPolarHBondContact CB-OE2 3.48Å; L178-E180 PolarHBondContact O-N 3.29Å; L178-E180 VanDerWaalsContact O-N 3.14Å; L178-Y181 WeakPolarHBondContact O-CB 3.48Å; L178-Y181 PolarHBondContact O-N 2.77Å; L178-Y182 VanDerWaalsContact C-CE1 3.41Å; L178-Y182 WeakPolarHBondContact O-CD1 3.33Å; L178-Y182 PolarHBondContact O-N 3.06Å; L178-Y182 VanDerWaalsContact O-N 3.08Å
179	P	97.5	Very high	97	Very high	37 Å²	37	28.7 Å²	28.7	24%	0.24	14%	0.137	C	C	.	.	H	α-helix	trans	-53.4	-34.9	-179.6	-24.7	32.3	0	0	0	114.2	Y181 Y182 K183 P478 L480	P179-Y181 PolarHBondContact O-N 3.3Å; P179-Y182 HydrophobicContact CB-CE1 4.12Å; P179-Y182 HydrophobicContact CG-CE1 3.98Å; P179-K183 WeakPolarHBondContact O-CB 3.39Å; P179-K183 PolarHBondContact O-N 3.38Å; P179-P478 HydrophobicContact CB-CG 4.06Å; P179-L480 HydrophobicContact CB-CD2 3.76Å; P179-L480 HydrophobicContact CG-CD2 3.75Å
180	E	97.3	Very high	97.3	Very high	127 Å²	127	28.8 Å²	28.8	59%	0.593	14%	0.138	S	C	*	.	H	α-helix	trans	-64.1	-23.1	179.2	-59.4	73.8	-160.3	0	0	112.5	L178 W184	L178-E180 WeakPolarHBondContact CB-OE2 3.48Å; L178-E180 PolarHBondContact O-N 3.29Å; L178-E180 VanDerWaalsContact O-N 3.14Å; E180-W184 VanDerWaalsContact O-CD1 3.29Å
181	Y	98.5	Very high	97.6	Very high	6 Å²	6	29.8 Å²	29.8	2%	0.024	14%	0.143	C	C	.	.	H	α-helix	trans	-92.1	-61	172.5	-174	-88.6	0	0	0	111.6	I174 T175 T176 L178 P179 K183 W184 D525 W528 Y529 R532	I174-Y181 HydrophobicContact CB-CD2 4.24Å; I174-Y181 HydrophobicContact CD1-CD2 4.34Å; I174-Y181 HydrophobicContact CD1-CE2 3.81Å; T175-Y181 WeakPolarHBondContact O-CB 3.29Å; T176-Y181 VanDerWaalsContact CA-CD1 3.49Å; T176-Y181 HydrophobicContact CG2-CD1 4.07Å; T176-Y181 HydrophobicContact CG2-CE1 3.67Å; L178-Y181 WeakPolarHBondContact O-CB 3.48Å; L178-Y181 PolarHBondContact O-N 2.77Å; P179-Y181 PolarHBondContact O-N 3.3Å; Y181-K183 PolarHBondContact O-N 2.74Å; Y181-K183 VanDerWaalsContact O-N 3.17Å; Y181-W184 WeakPolarHBondContact O-CB 3.36Å; Y181-W184 PolarHBondContact O-N 2.75Å; Y181-D525 HydrophobicContact CE1-CB 4.04Å; Y181-D525 PolarHBondContact OH-O 2.81Å; Y181-W528 HydrophobicContact CD1-CZ2 4.22Å; Y181-W528 HydrophobicContact CD2-CH2 4.42Å; Y181-W528 HydrophobicContact CD2-CZ2 4.39Å; Y181-W528 AromaticContact CE1-CZ2 3.69Å; Y181-W528 HydrophobicContact CE1-CZ2 3.69Å; Y181-W528 AromaticContact CE2-CH2 3.99Å; Y181-W528 HydrophobicContact CE2-CH2 3.99Å; Y181-W528 AromaticContact CE2-CZ2 3.85Å; Y181-W528 HydrophobicContact CE2-CZ2 3.85Å; Y181-W528 AromaticContact CZ-CE2 3.73Å; Y181-W528 AromaticContact CZ-CZ2 3.49Å; Y181-W528 VanDerWaalsContact CZ-CZ2 3.49Å; Y181-Y529 VanDerWaalsContact OH-CA 3.3Å; Y181-Y529 WeakPolarHBondContact OH-CA 3.35Å; Y181-Y529 VanDerWaalsContact OH-CB 3.25Å; Y181-Y529 WeakPolarHBondContact OH-CB 3.41Å; Y181-Y529 PolarHBondContact OH-N 2.9Å; Y181-R532 HydrophobicContact CD2-CG 3.98Å; Y181-R532 HydrophobicContact CE2-CB 3.95Å; Y181-R532 HydrophobicContact CE2-CG 3.85Å
182	Y	98.4	Very high	97.9	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-72	-14.6	-168.4	69.7	-109.2	0	0	0	113.8	F131 C177 L178 P179 W184 T185 Q186 T457 P478 L480	F131-Y182 AromaticContact CE2-CD1 3.51Å; F131-Y182 HydrophobicContact CE2-CD1 3.51Å; F131-Y182 HydrophobicContact CE2-CE1 4.13Å; F131-Y182 AromaticContact CE2-CG 3.97Å; F131-Y182 HydrophobicContact CE2-CG 3.97Å; F131-Y182 AromaticContact CZ-CD1 3.81Å; F131-Y182 HydrophobicContact CZ-CD1 3.81Å; F131-Y182 AromaticContact CZ-CE1 3.94Å; F131-Y182 HydrophobicContact CZ-CE1 3.94Å; C177-Y182 WeakPolarHBondContact O-CE1 3.33Å; L178-Y182 VanDerWaalsContact C-CE1 3.41Å; L178-Y182 WeakPolarHBondContact O-CD1 3.33Å; L178-Y182 PolarHBondContact O-N 3.06Å; L178-Y182 VanDerWaalsContact O-N 3.08Å; P179-Y182 HydrophobicContact CB-CE1 4.12Å; P179-Y182 HydrophobicContact CG-CE1 3.98Å; Y182-W184 PolarHBondContact O-N 2.94Å; Y182-T185 WeakPolarHBondContact O-CB 3.42Å; Y182-T185 PolarHBondContact O-N 3.09Å; Y182-Q186 WeakPolarHBondContact O-CG 3.43Å; Y182-Q186 PolarHBondContact O-N 3.31Å; Y182-T457 WeakPolarHBondContact CB-OG1 3.47Å; Y182-T457 HydrophobicContact CD2-CG2 4.32Å; Y182-T457 HydrophobicContact CG-CG2 4.45Å; Y182-P478 HydrophobicContact CD2-CB 4.26Å; Y182-P478 HydrophobicContact CE2-CB 3.78Å; Y182-L480 VanDerWaalsContact OH-CD2 3.29Å; Y182-L480 WeakPolarHBondContact OH-CD2 3.3Å
183	K	98.6	Very high	98.1	Very high	58 Å²	58	28.6 Å²	28.6	25%	0.252	14%	0.137	S	C	.	.	H	α-helix	trans	-49.8	-41.5	163.3	-178.7	-172.9	-178.2	180	0	110.9	P179 Y181 Q186 Y187 L477 P478	P179-K183 WeakPolarHBondContact O-CB 3.39Å; P179-K183 PolarHBondContact O-N 3.38Å; Y181-K183 PolarHBondContact O-N 2.74Å; Y181-K183 VanDerWaalsContact O-N 3.17Å; K183-Q186 WeakPolarHBondContact O-CB 3.39Å; K183-Q186 PolarHBondContact O-N 3.19Å; K183-Y187 WeakPolarHBondContact O-CB 3.26Å; K183-Y187 PolarHBondContact O-N 3.13Å; K183-L477 WeakPolarHBondContact CE-O 3.25Å; K183-L477 HydrophobicContact CG-CB 4Å; K183-P478 HydrophobicContact CB-CB 3.85Å; K183-P478 HydrophobicContact CB-CG 4.18Å; K183-P478 HydrophobicContact CG-CB 4.2Å; K183-P478 HydrophobicContact CG-CG 4.44Å
184	W	98.7	Very high	98	Very high	11 Å²	11	30.8 Å²	30.8	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-80.4	-30.2	-178.8	-60.8	120.2	0	0	0	112.9	E180 Y181 Y182 Q186 Y187 L188 W528 N538 T539 E540 R541 P542	E180-W184 VanDerWaalsContact O-CD1 3.29Å; Y181-W184 WeakPolarHBondContact O-CB 3.36Å; Y181-W184 PolarHBondContact O-N 2.75Å; Y182-W184 PolarHBondContact O-N 2.94Å; W184-Q186 VanDerWaalsContact C-N 3.33Å; W184-Y187 HydrophobicContact CE3-CD1 4.42Å; W184-Y187 HydrophobicContact CE3-CD2 4.32Å; W184-Y187 AromaticContact CE3-CG 3.95Å; W184-Y187 HydrophobicContact CE3-CG 3.95Å; W184-Y187 HydrophobicContact CZ3-CD2 4.09Å; W184-Y187 HydrophobicContact CZ3-CG 4.19Å; W184-Y187 WeakPolarHBondContact O-CB 3.38Å; W184-Y187 PolarHBondContact O-N 3.06Å; W184-L188 WeakPolarHBondContact O-CG 3.04Å; W184-L188 PolarHBondContact O-N 3.25Å; W184-W528 HydrophobicContact CB-CH2 3.42Å; W184-W528 VanDerWaalsContact CB-CH2 3.42Å; W184-W528 HydrophobicContact CB-CZ2 3.8Å; W184-W528 HydrophobicContact CB-CZ3 4.3Å; W184-W528 HydrophobicContact CG-CH2 4.33Å; W184-N538 PolarHBondContact NE1-O 3.42Å; W184-T539 WeakPolarHBondContact CZ2-O 3.42Å; W184-E540 VanDerWaalsContact CH2-O 3.29Å; W184-E540 WeakPolarHBondContact CH2-O 3.28Å; W184-R541 WeakPolarHBondContact CZ2-O 3.49Å; W184-P542 HydrophobicContact CB-CB 4.03Å; W184-P542 HydrophobicContact CB-CG 4.15Å; W184-P542 HydrophobicContact CD2-CB 4.36Å; W184-P542 HydrophobicContact CD2-CG 4.07Å; W184-P542 HydrophobicContact CE3-CB 4.4Å; W184-P542 VanDerWaalsContact CE3-CD 3.43Å; W184-P542 HydrophobicContact CE3-CG 3.63Å; W184-P542 HydrophobicContact CG-CB 4.22Å; W184-P542 HydrophobicContact CG-CG 4.31Å; W184-P542 HydrophobicContact CZ3-CG 4.43Å
185	T	98.8	Very high	97.8	Very high	2 Å²	2	33 Å²	33	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-46.2	165.9	-56.4	0	0	0	0	110.3	Y182 Y187 L188 F189 T457 M520 V524 D525 W528	Y182-T185 WeakPolarHBondContact O-CB 3.42Å; Y182-T185 PolarHBondContact O-N 3.09Å; T185-Y187 PolarHBondContact O-N 2.83Å; T185-L188 PolarHBondContact O-N 3.14Å; T185-F189 PolarHBondContact O-N 3.11Å; T185-T457 HydrophobicContact CG2-CG2 4.1Å; T185-M520 HydrophobicContact CG2-SD 4.02Å; T185-V524 HydrophobicContact CG2-CB 4.44Å; T185-V524 HydrophobicContact CG2-CG1 3.68Å; T185-D525 WeakPolarHBondContact CB-OD1 3.39Å; T185-D525 VanDerWaalsContact CG2-OD1 3.29Å; T185-D525 WeakPolarHBondContact CG2-OD1 3.11Å; T185-D525 PolarHBondContact OG1-OD1 2.91Å; T185-W528 PolarHBondContact OG1-NE1 2.94Å
186	Q	98.8	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-42.5	174.9	-70.7	175.1	-12.1	0	0	112	Y182 K183 W184 L188 F189 L190 T457 P458 P460 L477 V479	Y182-Q186 WeakPolarHBondContact O-CG 3.43Å; Y182-Q186 PolarHBondContact O-N 3.31Å; K183-Q186 WeakPolarHBondContact O-CB 3.39Å; K183-Q186 PolarHBondContact O-N 3.19Å; W184-Q186 VanDerWaalsContact C-N 3.33Å; Q186-L188 PolarHBondContact O-N 3.3Å; Q186-F189 WeakPolarHBondContact O-CB 3.4Å; Q186-F189 PolarHBondContact O-N 3.39Å; Q186-L190 WeakPolarHBondContact O-CG 3.41Å; Q186-L190 PolarHBondContact O-N 3.22Å; Q186-T457 HydrophobicContact CG-CG2 3.73Å; Q186-P458 WeakPolarHBondContact CG-O 3.38Å; Q186-P458 PolarHBondContact NE2-O 3.2Å; Q186-P460 HydrophobicContact CB-CB 4.19Å; Q186-P460 HydrophobicContact CB-CG 3.93Å; Q186-P460 HydrophobicContact CG-CB 4.31Å; Q186-P460 HydrophobicContact CG-CG 4.19Å; Q186-L477 HydrophobicContact CB-CD1 4.19Å; Q186-L477 HydrophobicContact CB-CD2 3.99Å; Q186-V479 PolarHBondContact NE2-O 3.32Å
187	Y	98.8	Very high	97.5	Very high	56 Å²	56	35.1 Å²	35.1	22%	0.22	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-46.9	174.5	176.6	-85	0	0	0	112.1	K183 W184 T185 L190 K191 Y474 P542	K183-Y187 WeakPolarHBondContact O-CB 3.26Å; K183-Y187 PolarHBondContact O-N 3.13Å; W184-Y187 HydrophobicContact CE3-CD1 4.42Å; W184-Y187 HydrophobicContact CE3-CD2 4.32Å; W184-Y187 AromaticContact CE3-CG 3.95Å; W184-Y187 HydrophobicContact CE3-CG 3.95Å; W184-Y187 HydrophobicContact CZ3-CD2 4.09Å; W184-Y187 HydrophobicContact CZ3-CG 4.19Å; W184-Y187 WeakPolarHBondContact O-CB 3.38Å; W184-Y187 PolarHBondContact O-N 3.06Å; T185-Y187 PolarHBondContact O-N 2.83Å; Y187-L190 WeakPolarHBondContact O-CB 3.39Å; Y187-L190 PolarHBondContact O-N 3.28Å; Y187-K191 HydrophobicContact CD1-CG 4.19Å; Y187-K191 HydrophobicContact CE1-CD 4.42Å; Y187-K191 HydrophobicContact CE1-CG 3.73Å; Y187-K191 PolarHBondContact O-N 2.78Å; Y187-K191 WeakPolarHBondContact OH-CE 3.49Å; Y187-Y474 AromaticContact CD2-CD1 3.38Å; Y187-Y474 HydrophobicContact CD2-CD1 3.38Å; Y187-Y474 AromaticContact CD2-CE1 3.29Å; Y187-Y474 HydrophobicContact CD2-CE1 3.29Å; Y187-Y474 HydrophobicContact CD2-CG 4.49Å; Y187-Y474 AromaticContact CE2-CD1 3.67Å; Y187-Y474 HydrophobicContact CE2-CD1 3.67Å; Y187-Y474 AromaticContact CE2-CE1 3.46Å; Y187-Y474 HydrophobicContact CE2-CE1 3.46Å; Y187-Y474 VanDerWaalsContact CE2-CE1 3.46Å; Y187-Y474 HydrophobicContact CE2-CG 4.48Å; Y187-Y474 HydrophobicContact CG-CD1 4.39Å; Y187-Y474 HydrophobicContact CG-CE1 4.03Å; Y187-P542 HydrophobicContact CD1-CG 3.64Å; Y187-P542 HydrophobicContact CE1-CG 3.98Å; Y187-P542 HydrophobicContact CG-CG 4.41Å
188	L	98.6	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-37.9	178.7	-71.1	171	0	0	0	111.7	W184 T185 Q186 L190 K191 L192 W528 F574 M583	W184-L188 WeakPolarHBondContact O-CG 3.04Å; W184-L188 PolarHBondContact O-N 3.25Å; T185-L188 PolarHBondContact O-N 3.14Å; Q186-L188 PolarHBondContact O-N 3.3Å; L188-L190 VanDerWaalsContact C-N 3.33Å; L188-L190 PolarHBondContact O-N 3.19Å; L188-K191 PolarHBondContact O-N 2.94Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 2.83Å; L188-W528 HydrophobicContact CD1-CB 4.31Å; L188-W528 HydrophobicContact CD1-CD2 3.58Å; L188-W528 HydrophobicContact CD1-CE3 3.97Å; L188-W528 HydrophobicContact CD1-CG 3.71Å; L188-F574 HydrophobicContact CB-CE1 4.06Å; L188-F574 HydrophobicContact CD1-CD1 4.3Å; L188-F574 HydrophobicContact CD1-CE1 4.05Å; L188-M583 HydrophobicContact CD2-CE 4.05Å; L188-M583 HydrophobicContact CD2-SD 4.34Å
189	F	98.7	Very high	97.4	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-57.6	-46.3	170.3	175.2	-78.2	0	0	0	111.3	T185 Q186 K191 L192 F193 V198 W241 I449 I459 P460 V461 M520	T185-F189 PolarHBondContact O-N 3.11Å; Q186-F189 WeakPolarHBondContact O-CB 3.4Å; Q186-F189 PolarHBondContact O-N 3.39Å; F189-K191 VanDerWaalsContact C-N 3.31Å; F189-K191 PolarHBondContact O-N 2.71Å; F189-L192 WeakPolarHBondContact O-CB 3.33Å; F189-L192 PolarHBondContact O-N 2.94Å; F189-F193 HydrophobicContact CE1-CB 4.44Å; F189-F193 WeakPolarHBondContact O-CB 3.38Å; F189-F193 PolarHBondContact O-N 3.2Å; F189-V198 HydrophobicContact CD2-CG1 4.29Å; F189-V198 HydrophobicContact CD2-CG2 4.21Å; F189-V198 HydrophobicContact CE1-CG1 4.13Å; F189-V198 HydrophobicContact CE2-CG1 3.56Å; F189-V198 HydrophobicContact CE2-CG2 4.24Å; F189-V198 HydrophobicContact CZ-CG1 3.46Å; F189-V198 VanDerWaalsContact CZ-CG1 3.46Å; F189-W241 HydrophobicContact CZ-CD2 4.34Å; F189-W241 HydrophobicContact CZ-CE3 4.07Å; F189-W241 HydrophobicContact CZ-CZ3 4.31Å; F189-I449 HydrophobicContact CD2-CD1 3.93Å; F189-I449 HydrophobicContact CE2-CD1 3.67Å; F189-I459 HydrophobicContact CE1-CG2 4.01Å; F189-I459 HydrophobicContact CE2-CG2 3.91Å; F189-I459 HydrophobicContact CZ-CG2 3.47Å; F189-I459 VanDerWaalsContact CZ-CG2 3.47Å; F189-P460 HydrophobicContact CB-CG 4.48Å; F189-P460 HydrophobicContact CD1-CG 3.58Å; F189-P460 HydrophobicContact CE1-CG 4.14Å; F189-P460 HydrophobicContact CG-CG 4.25Å; F189-V461 HydrophobicContact CE1-CG2 3.74Å; F189-V461 HydrophobicContact CZ-CG2 4.11Å; F189-M520 HydrophobicContact CB-CE 3.56Å; F189-M520 HydrophobicContact CB-SD 4.28Å; F189-M520 HydrophobicContact CD1-CE 4.28Å; F189-M520 HydrophobicContact CD2-CE 3.39Å; F189-M520 HydrophobicContact CD2-SD 3.95Å; F189-M520 HydrophobicContact CE2-CE 4.1Å; F189-M520 HydrophobicContact CG-CE 3.49Å; F189-M520 VanDerWaalsContact CG-CE 3.49Å; F189-M520 HydrophobicContact CG-SD 4.42Å
190	L	98.6	Very high	97.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-39.4	177.7	-68.7	-174.7	0	0	0	111.6	Q186 Y187 L188 L192 F193 E194 P460 P471 V472 Y474 L477	Q186-L190 WeakPolarHBondContact O-CG 3.41Å; Q186-L190 PolarHBondContact O-N 3.22Å; Y187-L190 WeakPolarHBondContact O-CB 3.39Å; Y187-L190 PolarHBondContact O-N 3.28Å; L188-L190 VanDerWaalsContact C-N 3.33Å; L188-L190 PolarHBondContact O-N 3.19Å; L190-L192 PolarHBondContact O-N 2.71Å; L190-F193 WeakPolarHBondContact O-CB 3.41Å; L190-F193 PolarHBondContact O-N 3.29Å; L190-E194 WeakPolarHBondContact O-CB 3.47Å; L190-E194 VanDerWaalsContact O-CG 3.3Å; L190-E194 WeakPolarHBondContact O-CG 3.44Å; L190-E194 PolarHBondContact O-N 2.82Å; L190-P460 HydrophobicContact CD2-CB 4.21Å; L190-P460 HydrophobicContact CD2-CG 3.75Å; L190-P460 HydrophobicContact CG-CB 4.44Å; L190-P460 HydrophobicContact CG-CG 3.93Å; L190-P471 HydrophobicContact CD2-CB 3.5Å; L190-V472 WeakPolarHBondContact CD1-O 3.1Å; L190-Y474 HydrophobicContact CB-CE1 3.78Å; L190-Y474 HydrophobicContact CD1-CD1 3.88Å; L190-Y474 HydrophobicContact CD1-CE1 3.74Å; L190-Y474 HydrophobicContact CG-CE1 4.41Å; L190-L477 HydrophobicContact CD1-CD1 3.89Å; L190-L477 HydrophobicContact CD1-CD2 4.37Å; L190-L477 HydrophobicContact CD1-CG 4.39Å
191	K	98.5	Very high	96.8	Very high	47 Å²	47	31.4 Å²	31.4	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-41.9	174.2	-72.2	-73.4	161.6	-135.9	0	112.3	Y187 L188 F189 F193 E194 A195 Y474 F577 L581	Y187-K191 HydrophobicContact CD1-CG 4.19Å; Y187-K191 HydrophobicContact CE1-CD 4.42Å; Y187-K191 HydrophobicContact CE1-CG 3.73Å; Y187-K191 PolarHBondContact O-N 2.78Å; Y187-K191 WeakPolarHBondContact OH-CE 3.49Å; L188-K191 PolarHBondContact O-N 2.94Å; F189-K191 VanDerWaalsContact C-N 3.31Å; F189-K191 PolarHBondContact O-N 2.71Å; K191-F193 VanDerWaalsContact C-N 3.34Å; K191-E194 IonicContact NZ-OE2 3.16Å; K191-E194 PolarHBondContact NZ-OE2 2.79Å; K191-A195 WeakPolarHBondContact O-CB 3.18Å; K191-A195 PolarHBondContact O-N 2.55Å; K191-A195 VanDerWaalsContact O-N 3.09Å; K191-Y474 WeakPolarHBondContact CE-OH 3.26Å; K191-Y474 PolarHBondContact NZ-OH 3.19Å; K191-F577 HydrophobicContact CB-CE1 4.18Å; K191-F577 HydrophobicContact CB-CZ 4.06Å; K191-L581 HydrophobicContact CB-CD1 4.07Å; K191-L581 HydrophobicContact CD-CD1 4.33Å; K191-L581 HydrophobicContact CG-CD1 4.39Å
192	L	98.3	Very high	96.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-36.6	174.3	-70.7	162	0	0	0	112	L188 F189 L190 A195 G196 I197 V198 I243 F573 F574 F577	L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 2.83Å; F189-L192 WeakPolarHBondContact O-CB 3.33Å; F189-L192 PolarHBondContact O-N 2.94Å; L190-L192 PolarHBondContact O-N 2.71Å; L192-A195 PolarHBondContact O-N 3.04Å; L192-G196 PolarHBondContact O-N 2.87Å; L192-I197 HydrophobicContact CB-CB 4.46Å; L192-I197 HydrophobicContact CD2-CB 4.07Å; L192-I197 HydrophobicContact CD2-CD1 4.14Å; L192-I197 HydrophobicContact CD2-CG2 3.76Å; L192-I197 PolarHBondContact O-N 3.03Å; L192-V198 HydrophobicContact CB-CB 4.26Å; L192-V198 HydrophobicContact CB-CG2 3.48Å; L192-V198 VanDerWaalsContact CB-CG2 3.48Å; L192-V198 HydrophobicContact CD1-CG2 4.26Å; L192-V198 HydrophobicContact CG-CG2 4.47Å; L192-V198 PolarHBondContact O-N 2.9Å; L192-V198 VanDerWaalsContact O-N 3.11Å; L192-I243 HydrophobicContact CD1-CD1 4.27Å; L192-F573 HydrophobicContact CD2-CE1 4.13Å; L192-F573 HydrophobicContact CD2-CZ 3.87Å; L192-F574 HydrophobicContact CD1-CE1 4.22Å; L192-F574 HydrophobicContact CD1-CZ 3.96Å; L192-F577 HydrophobicContact CB-CZ 4.34Å; L192-F577 HydrophobicContact CD2-CD1 3.64Å; L192-F577 HydrophobicContact CD2-CD2 3.68Å; L192-F577 HydrophobicContact CD2-CE1 3.54Å; L192-F577 HydrophobicContact CD2-CE2 3.6Å; L192-F577 HydrophobicContact CD2-CG 3.7Å; L192-F577 HydrophobicContact CD2-CZ 3.51Å; L192-F577 HydrophobicContact CG-CD1 4.05Å; L192-F577 HydrophobicContact CG-CE1 3.58Å; L192-F577 HydrophobicContact CG-CE2 4.3Å; L192-F577 HydrophobicContact CG-CZ 3.71Å
193	F	97.1	Very high	95.7	Very high	51 Å²	51	32.7 Å²	32.7	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-46.1	176.6	-176	-87.9	0	0	0	111.6	F189 L190 K191 A195 G196 V198 W241 P471	F189-F193 HydrophobicContact CE1-CB 4.44Å; F189-F193 WeakPolarHBondContact O-CB 3.38Å; F189-F193 PolarHBondContact O-N 3.2Å; L190-F193 WeakPolarHBondContact O-CB 3.41Å; L190-F193 PolarHBondContact O-N 3.29Å; K191-F193 VanDerWaalsContact C-N 3.34Å; F193-A195 PolarHBondContact O-N 2.95Å; F193-G196 PolarHBondContact O-N 2.85Å; F193-V198 HydrophobicContact CB-CB 4.22Å; F193-V198 HydrophobicContact CB-CG1 4.45Å; F193-V198 HydrophobicContact CD2-CB 4.49Å; F193-V198 HydrophobicContact CD2-CG1 4.06Å; F193-W241 HydrophobicContact CD2-CH2 4.28Å; F193-W241 AromaticContact CD2-CZ3 3.86Å; F193-W241 HydrophobicContact CD2-CZ3 3.86Å; F193-W241 AromaticContact CE2-CH2 3.77Å; F193-W241 HydrophobicContact CE2-CH2 3.77Å; F193-W241 AromaticContact CE2-CZ3 3.69Å; F193-W241 HydrophobicContact CE2-CZ3 3.69Å; F193-P471 HydrophobicContact CD1-CB 4.28Å; F193-P471 HydrophobicContact CD1-CG 4.24Å; F193-P471 HydrophobicContact CE1-CB 4.36Å; F193-P471 HydrophobicContact CE1-CG 4.02Å
194	E	95.8	Very high	95	Very high	112 Å²	112	33.5 Å²	33.5	52%	0.523	18%	0.177	S	C	.	.	H	α-helix	trans	-58.7	-35.5	173.9	-72.9	173.5	170.6	0	0	112.1	L190 K191 G196 Y474	L190-E194 WeakPolarHBondContact O-CB 3.47Å; L190-E194 VanDerWaalsContact O-CG 3.3Å; L190-E194 WeakPolarHBondContact O-CG 3.44Å; L190-E194 PolarHBondContact O-N 2.82Å; K191-E194 IonicContact NZ-OE2 3.16Å; K191-E194 PolarHBondContact NZ-OE2 2.79Å; E194-G196 VanDerWaalsContact C-N 3.25Å; E194-G196 PolarHBondContact O-N 2.95Å; E194-Y474 VanDerWaalsContact CD-OH 3.25Å; E194-Y474 VanDerWaalsContact OE1-CE2 3.3Å; E194-Y474 WeakPolarHBondContact OE1-CE2 3.4Å; E194-Y474 PolarHBondContact OE1-OH 2.88Å; E194-Y474 VanDerWaalsContact OE1-OH 3.12Å; E194-Y474 PolarHBondContact OE2-OH 2.84Å; E194-Y474 VanDerWaalsContact OE2-OH 3.06Å
195	A	94.4	Very high	94.4	Very high	56 Å²	56	33.2 Å²	33.2	46%	0.463	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.6	176	0	0	0	0	0	114.2	K191 L192 F193 I197 F577	K191-A195 WeakPolarHBondContact O-CB 3.18Å; K191-A195 PolarHBondContact O-N 2.55Å; K191-A195 VanDerWaalsContact O-N 3.09Å; L192-A195 PolarHBondContact O-N 3.04Å; F193-A195 PolarHBondContact O-N 2.95Å; A195-I197 HydrophobicContact CB-CD1 3.87Å; A195-I197 HydrophobicContact CB-CG1 4.05Å; A195-I197 PolarHBondContact O-N 2.84Å; A195-F577 HydrophobicContact CB-CE2 4.26Å
196	G	92.6	Very high	93.8	Very high	46 Å²	46	33.8 Å²	33.8	47%	0.474	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	15.2	-176.3	0	0	0	0	0	114.4	L192 F193 E194	L192-G196 PolarHBondContact O-N 2.87Å; F193-G196 PolarHBondContact O-N 2.85Å; E194-G196 VanDerWaalsContact C-N 3.25Å; E194-G196 PolarHBondContact O-N 2.95Å
197	I	95.5	Very high	93.3	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.087	19%	0.185	C	C	.	.			trans	-87	-35.5	179.1	-63.1	169.3	0	0	0	110.2	L192 A195 I243 K244 Y248 F573 F577	L192-I197 HydrophobicContact CB-CB 4.46Å; L192-I197 HydrophobicContact CD2-CB 4.07Å; L192-I197 HydrophobicContact CD2-CD1 4.14Å; L192-I197 HydrophobicContact CD2-CG2 3.76Å; L192-I197 PolarHBondContact O-N 3.03Å; A195-I197 HydrophobicContact CB-CD1 3.87Å; A195-I197 HydrophobicContact CB-CG1 4.05Å; A195-I197 PolarHBondContact O-N 2.84Å; I197-I243 HydrophobicContact CG2-CG2 4.03Å; I197-K244 HydrophobicContact CG2-CB 4.06Å; I197-K244 VanDerWaalsContact O-CB 3.25Å; I197-K244 WeakPolarHBondContact O-CB 3.38Å; I197-K244 PolarHBondContact O-N 3.38Å; I197-Y248 HydrophobicContact CD1-CE2 3.98Å; I197-F573 HydrophobicContact CG2-CE2 4.46Å; I197-F573 HydrophobicContact CG2-CZ 3.99Å; I197-F577 HydrophobicContact CD1-CD2 3.73Å; I197-F577 HydrophobicContact CD1-CE2 3.62Å
198	V	97.1	Very high	92.6	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.7	169	165.8	0	0	0	0	109.7	F189 L192 F193 W241 F242 I243	F189-V198 HydrophobicContact CD2-CG1 4.29Å; F189-V198 HydrophobicContact CD2-CG2 4.21Å; F189-V198 HydrophobicContact CE1-CG1 4.13Å; F189-V198 HydrophobicContact CE2-CG1 3.56Å; F189-V198 HydrophobicContact CE2-CG2 4.24Å; F189-V198 HydrophobicContact CZ-CG1 3.46Å; F189-V198 VanDerWaalsContact CZ-CG1 3.46Å; L192-V198 HydrophobicContact CB-CB 4.26Å; L192-V198 HydrophobicContact CB-CG2 3.48Å; L192-V198 VanDerWaalsContact CB-CG2 3.48Å; L192-V198 HydrophobicContact CD1-CG2 4.26Å; L192-V198 HydrophobicContact CG-CG2 4.47Å; L192-V198 PolarHBondContact O-N 2.9Å; L192-V198 VanDerWaalsContact O-N 3.11Å; F193-V198 HydrophobicContact CB-CB 4.22Å; F193-V198 HydrophobicContact CB-CG1 4.45Å; F193-V198 HydrophobicContact CD2-CB 4.49Å; F193-V198 HydrophobicContact CD2-CG1 4.06Å; V198-W241 HydrophobicContact CG1-CE3 3.56Å; V198-W241 HydrophobicContact CG1-CZ3 3.83Å; V198-F242 WeakPolarHBondContact CA-O 3.47Å; V198-I243 HydrophobicContact CG2-CG1 3.85Å
199	Y	94.2	Very high	91.9	Very high	54 Å²	54	34.6 Å²	34.6	21%	0.212	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161.7	178.5	69.8	-82.3	0	0	0	111.5	K201 F242 K244 D446	Y199-K201 HydrophobicContact CD2-CB 4.29Å; Y199-K201 HydrophobicContact CD2-CG 4.35Å; Y199-K201 HydrophobicContact CE2-CB 4.04Å; Y199-K201 HydrophobicContact CE2-CD 3.72Å; Y199-K201 HydrophobicContact CE2-CG 3.71Å; Y199-K201 WeakPolarHBondContact OH-CE 3.5Å; Y199-K201 PolarHBondContact OH-NZ 3.08Å; Y199-F242 HydrophobicContact CD1-CB 4.3Å; Y199-F242 HydrophobicContact CE1-CB 3.82Å; Y199-F242 HydrophobicContact CE2-CB 4.26Å; Y199-F242 PolarHBondContact N-O 3.39Å; Y199-F242 PolarHBondContact O-N 2.73Å; Y199-K244 HydrophobicContact CD1-CB 4.35Å; Y199-K244 HydrophobicContact CE1-CB 4Å; Y199-D446 HydrophobicContact CE1-CB 4.49Å; Y199-D446 WeakPolarHBondContact CE1-OD2 3.42Å; Y199-D446 PolarHBondContact OH-OD2 3.34Å
200	Q	92.9	Very high	90.9	Very high	43 Å²	43	38.6 Å²	38.6	20%	0.201	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.4	176.5	-156	-172.5	41	0	0	109.6	K239 Q240 W241	Q200-K239 HydrophobicContact CG-CD 4.41Å; Q200-K239 HydrophobicContact CG-CG 3.96Å; Q200-Q240 WeakPolarHBondContact CA-O 3.25Å; Q200-Q240 VanDerWaalsContact CG-O 3.27Å; Q200-Q240 WeakPolarHBondContact CG-O 3.42Å; Q200-W241 HydrophobicContact CB-CD2 4.05Å; Q200-W241 HydrophobicContact CB-CE3 3.97Å; Q200-W241 HydrophobicContact CB-CH2 4.19Å; Q200-W241 HydrophobicContact CB-CZ2 4.23Å; Q200-W241 HydrophobicContact CB-CZ3 4.05Å; Q200-W241 HydrophobicContact CG-CD2 4.07Å; Q200-W241 HydrophobicContact CG-CE3 4.5Å; Q200-W241 HydrophobicContact CG-CG 4.34Å; Q200-W241 HydrophobicContact CG-CZ2 4.38Å
201	K	89.3	Confident	89.7	Confident	80 Å²	80	39.1 Å²	39.1	35%	0.348	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.2	172.4	65.7	166.9	169.4	-159	0	111.3	Y199 A203 K239 Q240 F242	Y199-K201 HydrophobicContact CD2-CB 4.29Å; Y199-K201 HydrophobicContact CD2-CG 4.35Å; Y199-K201 HydrophobicContact CE2-CB 4.04Å; Y199-K201 HydrophobicContact CE2-CD 3.72Å; Y199-K201 HydrophobicContact CE2-CG 3.71Å; Y199-K201 WeakPolarHBondContact OH-CE 3.5Å; Y199-K201 PolarHBondContact OH-NZ 3.08Å; K201-A203 HydrophobicContact CD-CB 4.46Å; K201-A203 HydrophobicContact CG-CB 4.48Å; K201-K239 WeakPolarHBondContact O-CA 3.49Å; K201-Q240 PolarHBondContact N-O 2.8Å; K201-Q240 PolarHBondContact O-N 3.03Å; K201-F242 HydrophobicContact CD-CD2 4.41Å; K201-F242 HydrophobicContact CD-CE2 4.28Å; K201-F242 HydrophobicContact CG-CD2 3.61Å; K201-F242 HydrophobicContact CG-CE2 3.49Å; K201-F242 VanDerWaalsContact CG-CE2 3.49Å; K201-F242 HydrophobicContact CG-CZ 4.31Å
202	E	88.9	Confident	88.7	Confident	25 Å²	25	39.7 Å²	39.7	12%	0.117	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.7	162.8	-169.3	176.9	-119	0	0	108.9	L238 R319 G323 N324	E202-L238 WeakPolarHBondContact CA-O 3.26Å; E202-R319 WeakPolarHBondContact O-CD 3.33Å; E202-G323 VanDerWaalsContact OE2-CA 3.25Å; E202-G323 WeakPolarHBondContact OE2-CA 3.23Å; E202-N324 WeakPolarHBondContact OE1-CB 3.42Å; E202-N324 PolarHBondContact OE1-N 3.43Å; E202-N324 PolarHBondContact OE1-ND2 2.69Å; E202-N324 PolarHBondContact OE2-N 3.27Å
203	A	85.1	Confident	87.7	Confident	17 Å²	17	39.7 Å²	39.7	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.2	179.9	0	0	0	0	0	109.8	K201 V205 Y237 L238 F242	K201-A203 HydrophobicContact CD-CB 4.46Å; K201-A203 HydrophobicContact CG-CB 4.48Å; A203-V205 HydrophobicContact CB-CG1 4.18Å; A203-V205 PolarHBondContact O-N 3.21Å; A203-Y237 WeakPolarHBondContact O-CA 3.43Å; A203-L238 PolarHBondContact N-O 3.17Å; A203-L238 PolarHBondContact O-N 3.23Å; A203-F242 HydrophobicContact CB-CE2 4.25Å; A203-F242 HydrophobicContact CB-CZ 3.81Å
204	L	84.9	Confident	87	Confident	74 Å²	74	37.2 Å²	37.2	39%	0.387	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.4	164.6	-166.3	68.1	0	0	0	107.7	Q235 K236 Y237	L204-Q235 HydrophobicContact CD1-CB 3.81Å; L204-Q235 HydrophobicContact CD2-CB 4.06Å; L204-Q235 HydrophobicContact CD2-CG 4.29Å; L204-Q235 HydrophobicContact CG-CB 3.9Å; L204-Q235 HydrophobicContact CG-CG 4.43Å; L204-K236 WeakPolarHBondContact CA-O 3.08Å; L204-Y237 HydrophobicContact CB-CD1 4.3Å; L204-Y237 HydrophobicContact CB-CE1 3.89Å; L204-Y237 HydrophobicContact CD1-CD1 4.28Å; L204-Y237 HydrophobicContact CD1-CD2 3.89Å; L204-Y237 HydrophobicContact CD1-CE1 4.07Å; L204-Y237 HydrophobicContact CD1-CE2 3.65Å; L204-Y237 HydrophobicContact CD1-CG 4.19Å
205	V	86.2	Confident	86.1	Confident	5 Å²	5	32 Å²	32	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.4	-173	-56.4	0	0	0	0	111.4	A203 W207 V214 Q235 K236 L238 Q240 L448	A203-V205 HydrophobicContact CB-CG1 4.18Å; A203-V205 PolarHBondContact O-N 3.21Å; V205-W207 PolarHBondContact O-N 3.49Å; V205-V214 HydrophobicContact CB-CG1 3.85Å; V205-V214 HydrophobicContact CB-CG2 4.3Å; V205-V214 HydrophobicContact CG1-CG1 4.44Å; V205-V214 HydrophobicContact CG2-CB 4.49Å; V205-V214 HydrophobicContact CG2-CG1 4.07Å; V205-V214 HydrophobicContact CG2-CG2 3.57Å; V205-Q235 WeakPolarHBondContact O-CA 3.29Å; V205-K236 WeakPolarHBondContact CG2-O 3.36Å; V205-K236 PolarHBondContact N-O 3.35Å; V205-K236 PolarHBondContact O-N 3.34Å; V205-L238 HydrophobicContact CG2-CB 3.93Å; V205-L238 HydrophobicContact CG2-CD1 3.82Å; V205-L238 HydrophobicContact CG2-CG 4.07Å; V205-Q240 HydrophobicContact CG1-CG 4.18Å; V205-L448 HydrophobicContact CB-CD1 4.06Å; V205-L448 HydrophobicContact CG1-CD1 3.49Å; V205-L448 VanDerWaalsContact CG1-CD1 3.49Å
206	N	86.1	Confident	85.1	Confident	14 Å²	14	29.5 Å²	29.5	8%	0.075	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	119.7	172	-61.4	-37.3	0	0	0	108.9	V214 L215 N217 V220 V233 Q235	N206-V214 CarbonylContact O-C 3.53Å; N206-V214 VanDerWaalsContact O-CA 3.29Å; N206-V214 WeakPolarHBondContact O-CA 3.18Å; N206-L215 HydrophobicContact CB-CB 4.09Å; N206-L215 WeakPolarHBondContact CB-O 3.32Å; N206-L215 PolarHBondContact O-N 3.47Å; N206-N217 PolarHBondContact ND2-OD1 3.34Å; N206-N217 VanDerWaalsContact ND2-OD1 3.12Å; N206-V220 HydrophobicContact CB-CG2 3.9Å; N206-V233 HydrophobicContact CB-CG1 3.51Å; N206-Q235 PolarHBondContact OD1-NE2 3.04Å
207	W	87.1	Confident	84.1	Confident	33 Å²	33	29.3 Å²	29.3	13%	0.125	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.3	178.3	179.1	-95.8	0	0	0	110.2	V205 P209 Q212 V214 E234 K236 L238	V205-W207 PolarHBondContact O-N 3.49Å; W207-P209 WeakPolarHBondContact O-CD 3.42Å; W207-Q212 HydrophobicContact CH2-CB 4.24Å; W207-Q212 WeakPolarHBondContact CH2-O 3.32Å; W207-Q212 HydrophobicContact CZ2-CB 3.73Å; W207-Q212 HydrophobicContact CZ2-CG 4.27Å; W207-V214 HydrophobicContact CE3-CG2 4.05Å; W207-V214 HydrophobicContact CZ3-CG2 4.34Å; W207-E234 HydrophobicContact CB-CB 4.32Å; W207-E234 PolarHBondContact N-O 3.13Å; W207-E234 PolarHBondContact O-N 2.87Å; W207-K236 HydrophobicContact CB-CD 4.09Å; W207-K236 HydrophobicContact CB-CG 4.26Å; W207-K236 HydrophobicContact CD2-CD 4.13Å; W207-K236 HydrophobicContact CG-CD 3.79Å; W207-K236 HydrophobicContact CG-CG 4.49Å; W207-K236 VanDerWaalsContact NE1-NZ 3.14Å; W207-L238 HydrophobicContact CE3-CD1 4.11Å; W207-L238 HydrophobicContact CZ3-CD1 4.23Å
208	D	83.8	Confident	83	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114	169	-170.3	-40.8	0	0	0	109.2	V210 D211 Q212 T213 L215 S226 S229	D208-V210 VanDerWaalsContact C-N 3.26Å; D208-V210 PolarHBondContact O-N 3.41Å; D208-V210 WeakPolarHBondContact OD1-CA 3.35Å; D208-V210 WeakPolarHBondContact OD1-CB 3.36Å; D208-V210 PolarHBondContact OD1-N 3.19Å; D208-D211 HydrophobicContact CB-CB 4.11Å; D208-D211 PolarHBondContact OD1-N 2.92Å; D208-Q212 WeakPolarHBondContact O-CA 3.45Å; D208-Q212 PolarHBondContact O-N 3.13Å; D208-T213 PolarHBondContact N-O 2.96Å; D208-L215 HydrophobicContact CB-CD1 3.94Å; D208-L215 HydrophobicContact CB-CG 4.11Å; D208-S226 WeakPolarHBondContact OD2-CB 3.48Å; D208-S226 PolarHBondContact OD2-OG 2.88Å; D208-S229 VanDerWaalsContact CG-OG 3.31Å; D208-S229 PolarHBondContact OD1-OG 3.33Å; D208-S229 WeakPolarHBondContact OD2-CB 3.36Å; D208-S229 PolarHBondContact OD2-OG 3.34Å
209	P	83.9	Confident	81.8	Confident	40 Å²	40	30 Å²	30	26%	0.26	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.6	-178.9	30.3	-35.2	0	0	0	113.7	W207 Q212 A231 K232	W207-P209 WeakPolarHBondContact O-CD 3.42Å; P209-Q212 WeakPolarHBondContact O-CG 3.46Å; P209-A231 HydrophobicContact CG-CB 4.18Å; P209-K232 WeakPolarHBondContact CD-O 3.22Å
210	V	79.3	Confident	81	Confident	87 Å²	87	29 Å²	29	53%	0.527	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-53.9	178.8	173.9	0	0	0	0	110.5	D208 Q212 A231	D208-V210 VanDerWaalsContact C-N 3.26Å; D208-V210 PolarHBondContact O-N 3.41Å; D208-V210 WeakPolarHBondContact OD1-CA 3.35Å; D208-V210 WeakPolarHBondContact OD1-CB 3.36Å; D208-V210 PolarHBondContact OD1-N 3.19Å; V210-Q212 PolarHBondContact O-N 2.79Å; V210-A231 HydrophobicContact CB-CB 4.19Å; V210-A231 HydrophobicContact CG2-CB 3.59Å
211	D	71.8	Confident	80.1	Confident	14 Å²	14	29.9 Å²	29.9	8%	0.075	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10	178.7	-81.4	-31.6	0	0	0	112.8	N137 D208 T213 R453	N137-D211 PolarHBondContact ND2-OD1 3.34Å; D208-D211 HydrophobicContact CB-CB 4.11Å; D208-D211 PolarHBondContact OD1-N 2.92Å; D211-T213 VanDerWaalsContact C-N 3.31Å; D211-T213 HydrophobicContact CB-CG2 3.95Å; D211-T213 PolarHBondContact O-N 2.77Å; D211-R453 PolarHBondContact O-NH1 3.25Å
212	Q	78.7	Confident	79.4	Confident	60 Å²	60	34.3 Å²	34.3	28%	0.28	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	50.1	179	-63.2	-166.5	-15.1	0	0	112.9	W207 D208 P209 V210 K490	W207-Q212 HydrophobicContact CH2-CB 4.24Å; W207-Q212 WeakPolarHBondContact CH2-O 3.32Å; W207-Q212 HydrophobicContact CZ2-CB 3.73Å; W207-Q212 HydrophobicContact CZ2-CG 4.27Å; D208-Q212 WeakPolarHBondContact O-CA 3.45Å; D208-Q212 PolarHBondContact O-N 3.13Å; P209-Q212 WeakPolarHBondContact O-CG 3.46Å; V210-Q212 PolarHBondContact O-N 2.79Å; Q212-K490 VanDerWaalsContact OE1-C 3.27Å
213	T	76.6	Confident	78.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.6	179.9	-174.4	0	0	0	0	110.5	L133 D208 D211 L215	L133-T213 HydrophobicContact CD1-CG2 4.28Å; L133-T213 HydrophobicContact CD2-CG2 4.31Å; D208-T213 PolarHBondContact N-O 2.96Å; D211-T213 VanDerWaalsContact C-N 3.31Å; D211-T213 HydrophobicContact CB-CG2 3.95Å; D211-T213 PolarHBondContact O-N 2.77Å; T213-L215 HydrophobicContact CG2-CD2 4.34Å
214	V	83.1	Confident	78.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.5	166.1	177	0	0	0	0	110.6	V205 N206 W207 L238 L448 R451 Q452	V205-V214 HydrophobicContact CB-CG1 3.85Å; V205-V214 HydrophobicContact CB-CG2 4.3Å; V205-V214 HydrophobicContact CG1-CG1 4.44Å; V205-V214 HydrophobicContact CG2-CB 4.49Å; V205-V214 HydrophobicContact CG2-CG1 4.07Å; V205-V214 HydrophobicContact CG2-CG2 3.57Å; N206-V214 CarbonylContact O-C 3.53Å; N206-V214 VanDerWaalsContact O-CA 3.29Å; N206-V214 WeakPolarHBondContact O-CA 3.18Å; W207-V214 HydrophobicContact CE3-CG2 4.05Å; W207-V214 HydrophobicContact CZ3-CG2 4.34Å; V214-L238 HydrophobicContact CG2-CD1 3.64Å; V214-L448 HydrophobicContact CB-CD2 4.45Å; V214-L448 HydrophobicContact CG1-CD1 3.57Å; V214-L448 HydrophobicContact CG1-CD2 3.57Å; V214-L448 HydrophobicContact CG1-CG 4.26Å; V214-R451 WeakPolarHBondContact O-CD 3.37Å; V214-Q452 VanDerWaalsContact CG2-OE1 3.31Å; V214-Q452 VanDerWaalsContact N-OE1 3.16Å
215	L	75.7	Confident	78.3	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.6	171.6	-61.8	-179.4	0	0	0	110.1	N206 D208 T213 Q219 V220 V233	N206-L215 HydrophobicContact CB-CB 4.09Å; N206-L215 WeakPolarHBondContact CB-O 3.32Å; N206-L215 PolarHBondContact O-N 3.47Å; D208-L215 HydrophobicContact CB-CD1 3.94Å; D208-L215 HydrophobicContact CB-CG 4.11Å; T213-L215 HydrophobicContact CG2-CD2 4.34Å; L215-Q219 HydrophobicContact CB-CB 4.02Å; L215-Q219 HydrophobicContact CD2-CB 4.27Å; L215-V220 HydrophobicContact CB-CG2 4.33Å; L215-V220 HydrophobicContact CD1-CG2 4.36Å; L215-V233 HydrophobicContact CD1-CG2 4.11Å
216	A	73.7	Confident	77.7	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.033	20%	0.203	C	C	.	.			trans	-67.2	164.1	164	0	0	0	0	0	110.3	E218 Q219	A216-E218 VanDerWaalsContact CB-OE2 3.25Å; A216-E218 WeakPolarHBondContact CB-OE2 2.97Å; A216-E218 PolarHBondContact O-N 2.82Å; A216-Q219 HydrophobicContact CB-CG 4.38Å; A216-Q219 WeakPolarHBondContact O-CB 3.36Å; A216-Q219 PolarHBondContact O-N 2.96Å
217	N	72.8	Confident	76.8	Confident	43 Å²	43	42.4 Å²	42.4	23%	0.23	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-64.2	-34.3	179.4	-59.5	-64.4	0	0	0	111.2	N206 Q219 V220 R445	N206-N217 PolarHBondContact ND2-OD1 3.34Å; N206-N217 VanDerWaalsContact ND2-OD1 3.12Å; N217-Q219 PolarHBondContact O-N 2.83Å; N217-V220 PolarHBondContact O-N 3.44Å; N217-V220 VanDerWaalsContact O-N 3.1Å; N217-R445 WeakPolarHBondContact ND2-CD 3.44Å; N217-R445 PolarHBondContact OD1-NH1 3.32Å
218	E	71.5	Confident	75.9	Confident	30 Å²	30	44.5 Å²	44.5	14%	0.14	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64.3	-15.4	176.5	-58.2	83.9	166.2	0	0	113.1	A216 W272 M566 Y570	A216-E218 VanDerWaalsContact CB-OE2 3.25Å; A216-E218 WeakPolarHBondContact CB-OE2 2.97Å; A216-E218 PolarHBondContact O-N 2.82Å; E218-W272 HydrophobicContact CG-CH2 3.86Å; E218-W272 HydrophobicContact CG-CZ2 3.51Å; E218-W272 WeakPolarHBondContact OE1-CZ2 3.16Å; E218-M566 HydrophobicContact CB-CE 3.73Å; E218-M566 HydrophobicContact CB-CG 3.77Å; E218-M566 HydrophobicContact CB-SD 4.23Å; E218-M566 HydrophobicContact CG-CG 4.19Å; E218-Y570 PolarHBondContact OE1-OH 3.25Å
219	Q	72.6	Confident	75.2	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.023	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-100	6.7	179	-70.7	172.4	-31.6	0	0	112.2	L215 A216 N217 W227 D521 M566	L215-Q219 HydrophobicContact CB-CB 4.02Å; L215-Q219 HydrophobicContact CD2-CB 4.27Å; A216-Q219 HydrophobicContact CB-CG 4.38Å; A216-Q219 WeakPolarHBondContact O-CB 3.36Å; A216-Q219 PolarHBondContact O-N 2.96Å; N217-Q219 PolarHBondContact O-N 2.83Å; Q219-W227 HydrophobicContact CB-CG 4.39Å; Q219-W227 WeakPolarHBondContact O-CB 3.38Å; Q219-W227 PolarHBondContact O-N 2.88Å; Q219-D521 PolarHBondContact NE2-OD2 3.32Å; Q219-M566 HydrophobicContact CG-CE 3.98Å
220	V	77.1	Confident	74.7	Confident	33 Å²	33	46.9 Å²	46.9	20%	0.2	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-113	127.5	174.1	-174.2	0	0	0	0	108.2	N206 L215 N217 C225 V233	N206-V220 HydrophobicContact CB-CG2 3.9Å; L215-V220 HydrophobicContact CB-CG2 4.33Å; L215-V220 HydrophobicContact CD1-CG2 4.36Å; N217-V220 PolarHBondContact O-N 3.44Å; N217-V220 VanDerWaalsContact O-N 3.1Å; V220-C225 WeakPolarHBondContact CA-O 3.23Å; V220-V233 HydrophobicContact CG1-CB 4.45Å; V220-V233 HydrophobicContact CG1-CG2 3.96Å; V220-V233 HydrophobicContact CG2-CG1 4.37Å; V220-V233 HydrophobicContact CG2-CG2 3.94Å
221	D	74.6	Confident	74.8	Confident	63 Å²	63	43.5 Å²	43.5	34%	0.337	24%	0.239	S	C	.	.			trans	-76.3	174	179.3	75.5	10.6	0	0	0	112.5	N223 G224 C225	D221-N223 PolarHBondContact O-N 2.88Å; D221-N223 VanDerWaalsContact O-N 3.09Å; D221-N223 WeakPolarHBondContact OD1-CA 3.33Å; D221-N223 WeakPolarHBondContact OD1-CB 3.27Å; D221-N223 PolarHBondContact OD1-N 2.7Å; D221-G224 PolarHBondContact O-N 3.24Å; D221-G224 PolarHBondContact OD1-N 3.02Å; D221-G224 VanDerWaalsContact OD1-N 3.12Å; D221-C225 PolarHBondContact N-O 2.92Å; D221-C225 PolarHBondContact OD1-N 3.25Å
222	D	73.4	Confident	75.5	Confident	173 Å²	173	49.3 Å²	49.3	93%	0.925	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.9	-179.5	-62.2	-29.5	0	0	0	113.5	G224	D222-G224 VanDerWaalsContact C-N 3.3Å
223	N	75.1	Confident	75.9	Confident	118 Å²	118	47.4 Å²	47.4	63%	0.631	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.7	176.1	-59.7	-56.7	0	0	0	112.3	D221 C225 K232	D221-N223 PolarHBondContact O-N 2.88Å; D221-N223 VanDerWaalsContact O-N 3.09Å; D221-N223 WeakPolarHBondContact OD1-CA 3.33Å; D221-N223 WeakPolarHBondContact OD1-CB 3.27Å; D221-N223 PolarHBondContact OD1-N 2.7Å; N223-C225 VanDerWaalsContact C-N 3.32Å; N223-K232 PolarHBondContact O-NZ 3.14Å
224	G	81.8	Confident	76.6	Confident	22 Å²	22	51.5 Å²	51.5	23%	0.227	28%	0.275	C	S	.	.	S	Bend	trans	73	25.6	-175.7	0	0	0	0	0	113	D221 D222 V233	D221-G224 PolarHBondContact O-N 3.24Å; D221-G224 PolarHBondContact OD1-N 3.02Å; D221-G224 VanDerWaalsContact OD1-N 3.12Å; D222-G224 VanDerWaalsContact C-N 3.3Å; G224-V233 WeakPolarHBondContact O-CB 3.24Å; G224-V233 PolarHBondContact O-N 2.63Å
225	C	78.8	Confident	76.7	Confident	25 Å²	25	56.1 Å²	56.1	17%	0.169	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-105.6	152.4	177.3	-68.2	0	0	0	0	110.8	V220 D221 N223 W227 A231	V220-C225 WeakPolarHBondContact CA-O 3.23Å; D221-C225 PolarHBondContact N-O 2.92Å; D221-C225 PolarHBondContact OD1-N 3.25Å; N223-C225 VanDerWaalsContact C-N 3.32Å; C225-W227 PolarHBondContact O-N 2.81Å; C225-A231 CarbonylContact C-O 3.58Å; C225-A231 VanDerWaalsContact CA-O 3.25Å; C225-A231 WeakPolarHBondContact CA-O 3.36Å
226	S	74.8	Confident	77.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.007	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-59.8	129.6	173	171.7	0	0	0	0	110.2	D208 R228 S229 G230 A231	D208-S226 WeakPolarHBondContact OD2-CB 3.48Å; D208-S226 PolarHBondContact OD2-OG 2.88Å; S226-R228 PolarHBondContact O-N 3.01Å; S226-R228 PolarHBondContact OG-N 3.31Å; S226-S229 WeakPolarHBondContact CB-OG 3.23Å; S226-S229 PolarHBondContact OG-N 3.37Å; S226-S229 PolarHBondContact OG-OG 3.23Å; S226-G230 WeakPolarHBondContact O-CA 3.44Å; S226-G230 PolarHBondContact O-N 2.97Å; S226-G230 VanDerWaalsContact O-N 3.1Å; S226-A231 PolarHBondContact N-O 2.91Å
227	W	66.8	Low	77.8	Confident	138 Å²	138	62.4 Å²	62.4	52%	0.523	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.3	178.7	75.5	-73.3	0	0	0	113.9	Q219 C225	Q219-W227 HydrophobicContact CB-CG 4.39Å; Q219-W227 WeakPolarHBondContact O-CB 3.38Å; Q219-W227 PolarHBondContact O-N 2.88Å; C225-W227 PolarHBondContact O-N 2.81Å
228	R	68.2	Low	78.5	Confident	78 Å²	78	62.9 Å²	62.9	29%	0.294	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-61.8	-173.7	-171.4	-157.8	168.6	151.4	12.3	112.8	L133 N137 S226 G230	L133-R228 PolarHBondContact O-NH1 2.95Å; N137-R228 VanDerWaalsContact CB-CZ 3.46Å; N137-R228 VanDerWaalsContact CG-NH1 3.29Å; N137-R228 PolarHBondContact ND2-NH1 3.4Å; N137-R228 PolarHBondContact ND2-NH2 3.19Å; S226-R228 PolarHBondContact O-N 3.01Å; S226-R228 PolarHBondContact OG-N 3.31Å; R228-G230 PolarHBondContact O-N 2.75Å
229	S	69.3	Low	79.4	Confident	41 Å²	41	67.3 Å²	67.3	29%	0.287	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.9	-175.5	72.8	0	0	0	0	111.8	D208 S226 A231	D208-S229 VanDerWaalsContact CG-OG 3.31Å; D208-S229 PolarHBondContact OD1-OG 3.33Å; D208-S229 WeakPolarHBondContact OD2-CB 3.36Å; D208-S229 PolarHBondContact OD2-OG 3.34Å; S226-S229 WeakPolarHBondContact CB-OG 3.23Å; S226-S229 PolarHBondContact OG-N 3.37Å; S226-S229 PolarHBondContact OG-OG 3.23Å; S229-A231 PolarHBondContact O-N 3.29Å; S229-A231 VanDerWaalsContact OG-CB 3.28Å; S229-A231 WeakPolarHBondContact OG-CB 3.33Å; S229-A231 PolarHBondContact OG-N 2.62Å; S229-A231 VanDerWaalsContact OG-N 3.14Å
230	G	73.1	Confident	80.4	Confident	49 Å²	49	67.4 Å²	67.4	51%	0.505	34%	0.344	S	S	.	.			trans	70.3	1.4	-171.8	0	0	0	0	0	113.4	S226 R228	S226-G230 WeakPolarHBondContact O-CA 3.44Å; S226-G230 PolarHBondContact O-N 2.97Å; S226-G230 VanDerWaalsContact O-N 3.1Å; R228-G230 PolarHBondContact O-N 2.75Å
231	A	81.6	Confident	81.3	Confident	16 Å²	16	66 Å²	66	13%	0.132	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-70.9	147.5	179.9	0	0	0	0	0	111.3	P209 V210 C225 S226 S229 V233	P209-A231 HydrophobicContact CG-CB 4.18Å; V210-A231 HydrophobicContact CB-CB 4.19Å; V210-A231 HydrophobicContact CG2-CB 3.59Å; C225-A231 CarbonylContact C-O 3.58Å; C225-A231 VanDerWaalsContact CA-O 3.25Å; C225-A231 WeakPolarHBondContact CA-O 3.36Å; S226-A231 PolarHBondContact N-O 2.91Å; S229-A231 PolarHBondContact O-N 3.29Å; S229-A231 VanDerWaalsContact OG-CB 3.28Å; S229-A231 WeakPolarHBondContact OG-CB 3.33Å; S229-A231 PolarHBondContact OG-N 2.62Å; S229-A231 VanDerWaalsContact OG-N 3.14Å; A231-V233 PolarHBondContact O-N 3.48Å
232	K	86.4	Confident	82.3	Confident	136 Å²	136	63.6 Å²	63.6	59%	0.591	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-65.3	126.1	172.2	-167.4	72.3	179.6	-176.7	0	109	P209 N223	P209-K232 WeakPolarHBondContact CD-O 3.22Å; N223-K232 PolarHBondContact O-NZ 3.14Å
233	V	88.4	Confident	83.4	Confident	19 Å²	19	55.4 Å²	55.4	12%	0.115	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-73.2	133.7	-178.9	172.8	0	0	0	0	110.2	N206 L215 V220 G224 A231	N206-V233 HydrophobicContact CB-CG1 3.51Å; L215-V233 HydrophobicContact CD1-CG2 4.11Å; V220-V233 HydrophobicContact CG1-CB 4.45Å; V220-V233 HydrophobicContact CG1-CG2 3.96Å; V220-V233 HydrophobicContact CG2-CG1 4.37Å; V220-V233 HydrophobicContact CG2-CG2 3.94Å; G224-V233 WeakPolarHBondContact O-CB 3.24Å; G224-V233 PolarHBondContact O-N 2.63Å; A231-V233 PolarHBondContact O-N 3.48Å
234	E	90.6	Very high	84.4	Confident	87 Å²	87	52 Å²	52	41%	0.407	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	157.2	171.5	-64.2	177	177.3	0	0	110.4	W207 K236	W207-E234 HydrophobicContact CB-CB 4.32Å; W207-E234 PolarHBondContact N-O 3.13Å; W207-E234 PolarHBondContact O-N 2.87Å; E234-K236 VanDerWaalsContact OE2-CE 3.26Å; E234-K236 WeakPolarHBondContact OE2-CE 3.25Å; E234-K236 IonicContact OE2-NZ 3.95Å; E234-K236 PolarHBondContact OE2-NZ 3.3Å; E234-K236 VanDerWaalsContact OE2-NZ 3.16Å
235	Q	85.5	Confident	85	Confident	96 Å²	96	51 Å²	51	45%	0.449	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.7	173.3	-65.6	-63.3	-49	0	0	110	L204 V205 N206	L204-Q235 HydrophobicContact CD1-CB 3.81Å; L204-Q235 HydrophobicContact CD2-CB 4.06Å; L204-Q235 HydrophobicContact CD2-CG 4.29Å; L204-Q235 HydrophobicContact CG-CB 3.9Å; L204-Q235 HydrophobicContact CG-CG 4.43Å; V205-Q235 WeakPolarHBondContact O-CA 3.29Å; N206-Q235 PolarHBondContact OD1-NE2 3.04Å
236	K	85.8	Confident	85.8	Confident	78 Å²	78	50.8 Å²	50.8	34%	0.339	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.8	178.1	-70.4	-177	-178.4	162.4	0	111.2	L204 V205 W207 E234 L238	L204-K236 WeakPolarHBondContact CA-O 3.08Å; V205-K236 WeakPolarHBondContact CG2-O 3.36Å; V205-K236 PolarHBondContact N-O 3.35Å; V205-K236 PolarHBondContact O-N 3.34Å; W207-K236 HydrophobicContact CB-CD 4.09Å; W207-K236 HydrophobicContact CB-CG 4.26Å; W207-K236 HydrophobicContact CD2-CD 4.13Å; W207-K236 HydrophobicContact CG-CD 3.79Å; W207-K236 HydrophobicContact CG-CG 4.49Å; W207-K236 VanDerWaalsContact NE1-NZ 3.14Å; E234-K236 VanDerWaalsContact OE2-CE 3.26Å; E234-K236 WeakPolarHBondContact OE2-CE 3.25Å; E234-K236 IonicContact OE2-NZ 3.95Å; E234-K236 PolarHBondContact OE2-NZ 3.3Å; E234-K236 VanDerWaalsContact OE2-NZ 3.16Å; K236-L238 HydrophobicContact CB-CG 4.43Å; K236-L238 PolarHBondContact O-N 2.85Å
237	Y	86.4	Confident	86.7	Confident	60 Å²	60	51.7 Å²	51.7	24%	0.235	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.3	169.7	-74.3	-78.2	0	0	0	109.6	A203 L204 A317 R319 H322	A203-Y237 WeakPolarHBondContact O-CA 3.43Å; L204-Y237 HydrophobicContact CB-CD1 4.3Å; L204-Y237 HydrophobicContact CB-CE1 3.89Å; L204-Y237 HydrophobicContact CD1-CD1 4.28Å; L204-Y237 HydrophobicContact CD1-CD2 3.89Å; L204-Y237 HydrophobicContact CD1-CE1 4.07Å; L204-Y237 HydrophobicContact CD1-CE2 3.65Å; L204-Y237 HydrophobicContact CD1-CG 4.19Å; Y237-A317 PolarHBondContact OH-O 3.11Å; Y237-R319 HydrophobicContact CD1-CB 4.33Å; Y237-R319 HydrophobicContact CE1-CB 4Å; Y237-H322 HydrophobicContact CD2-CB 4.12Å; Y237-H322 HydrophobicContact CE2-CB 3.38Å
238	L	87.5	Confident	88.2	Confident	53 Å²	53	46.4 Å²	46.4	28%	0.277	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.8	176.4	-67.1	176.1	0	0	0	110.1	E202 A203 V205 W207 V214 K236 Q240	E202-L238 WeakPolarHBondContact CA-O 3.26Å; A203-L238 PolarHBondContact N-O 3.17Å; A203-L238 PolarHBondContact O-N 3.23Å; V205-L238 HydrophobicContact CG2-CB 3.93Å; V205-L238 HydrophobicContact CG2-CD1 3.82Å; V205-L238 HydrophobicContact CG2-CG 4.07Å; W207-L238 HydrophobicContact CE3-CD1 4.11Å; W207-L238 HydrophobicContact CZ3-CD1 4.23Å; V214-L238 HydrophobicContact CG2-CD1 3.64Å; K236-L238 HydrophobicContact CB-CG 4.43Å; K236-L238 PolarHBondContact O-N 2.85Å; L238-Q240 HydrophobicContact CB-CG 3.95Å
239	K	90.3	Very high	89.5	Confident	122 Å²	122	42.7 Å²	42.7	53%	0.53	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.3	170.7	-163.3	-174.9	-169	-152.1	0	108.5	Q200 K201	Q200-K239 HydrophobicContact CG-CD 4.41Å; Q200-K239 HydrophobicContact CG-CG 3.96Å; K201-K239 WeakPolarHBondContact O-CA 3.49Å
240	Q	92.9	Very high	90.9	Very high	8 Å²	8	44 Å²	44	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	160.9	-170	-62.5	-69.7	-76.8	0	0	111.2	Q200 K201 V205 L238 F242 L448 Q452	Q200-Q240 WeakPolarHBondContact CA-O 3.25Å; Q200-Q240 VanDerWaalsContact CG-O 3.27Å; Q200-Q240 WeakPolarHBondContact CG-O 3.42Å; K201-Q240 PolarHBondContact N-O 2.8Å; K201-Q240 PolarHBondContact O-N 3.03Å; V205-Q240 HydrophobicContact CG1-CG 4.18Å; L238-Q240 HydrophobicContact CB-CG 3.95Å; Q240-F242 HydrophobicContact CB-CE2 3.85Å; Q240-F242 HydrophobicContact CB-CZ 4.36Å; Q240-F242 WeakPolarHBondContact O-CD2 3.48Å; Q240-L448 HydrophobicContact CB-CD1 4.43Å; Q240-L448 HydrophobicContact CB-CD2 4.32Å; Q240-L448 HydrophobicContact CB-CG 4.25Å; Q240-Q452 VanDerWaalsContact NE2-NE2 3.15Å
241	W	96	Very high	92	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136	175	-69.9	95.9	0	0	0	111.9	F189 F193 V198 Q200 I449 S450 I459 V461 A469 E516	F189-W241 HydrophobicContact CZ-CD2 4.34Å; F189-W241 HydrophobicContact CZ-CE3 4.07Å; F189-W241 HydrophobicContact CZ-CZ3 4.31Å; F193-W241 HydrophobicContact CD2-CH2 4.28Å; F193-W241 AromaticContact CD2-CZ3 3.86Å; F193-W241 HydrophobicContact CD2-CZ3 3.86Å; F193-W241 AromaticContact CE2-CH2 3.77Å; F193-W241 HydrophobicContact CE2-CH2 3.77Å; F193-W241 AromaticContact CE2-CZ3 3.69Å; F193-W241 HydrophobicContact CE2-CZ3 3.69Å; V198-W241 HydrophobicContact CG1-CE3 3.56Å; V198-W241 HydrophobicContact CG1-CZ3 3.83Å; Q200-W241 HydrophobicContact CB-CD2 4.05Å; Q200-W241 HydrophobicContact CB-CE3 3.97Å; Q200-W241 HydrophobicContact CB-CH2 4.19Å; Q200-W241 HydrophobicContact CB-CZ2 4.23Å; Q200-W241 HydrophobicContact CB-CZ3 4.05Å; Q200-W241 HydrophobicContact CG-CD2 4.07Å; Q200-W241 HydrophobicContact CG-CE3 4.5Å; Q200-W241 HydrophobicContact CG-CG 4.34Å; Q200-W241 HydrophobicContact CG-CZ2 4.38Å; W241-I449 HydrophobicContact CB-CD1 4.22Å; W241-I449 HydrophobicContact CB-CG1 3.9Å; W241-I449 WeakPolarHBondContact O-CG1 3.35Å; W241-I449 PolarHBondContact O-N 3.47Å; W241-S450 PolarHBondContact N-OG 3.28Å; W241-I459 HydrophobicContact CB-CD1 4.26Å; W241-I459 HydrophobicContact CG-CD1 4.03Å; W241-V461 HydrophobicContact CH2-CB 4.42Å; W241-V461 HydrophobicContact CH2-CG1 4.04Å; W241-V461 HydrophobicContact CH2-CG2 3.89Å; W241-V461 HydrophobicContact CZ2-CB 4.04Å; W241-V461 HydrophobicContact CZ2-CG1 3.75Å; W241-V461 HydrophobicContact CZ2-CG2 3.91Å; W241-A469 HydrophobicContact CH2-CB 4.13Å; W241-A469 HydrophobicContact CZ2-CB 4.4Å; W241-E516 PolarHBondContact NE1-OE2 2.94Å
242	F	95.5	Very high	92.7	Very high	13 Å²	13	43 Å²	43	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.2	179.4	-66.1	-97.7	0	0	0	110.6	V198 Y199 K201 A203 Q240 D446 W447 L448	V198-F242 WeakPolarHBondContact CA-O 3.47Å; Y199-F242 HydrophobicContact CD1-CB 4.3Å; Y199-F242 HydrophobicContact CE1-CB 3.82Å; Y199-F242 HydrophobicContact CE2-CB 4.26Å; Y199-F242 PolarHBondContact N-O 3.39Å; Y199-F242 PolarHBondContact O-N 2.73Å; K201-F242 HydrophobicContact CD-CD2 4.41Å; K201-F242 HydrophobicContact CD-CE2 4.28Å; K201-F242 HydrophobicContact CG-CD2 3.61Å; K201-F242 HydrophobicContact CG-CE2 3.49Å; K201-F242 VanDerWaalsContact CG-CE2 3.49Å; K201-F242 HydrophobicContact CG-CZ 4.31Å; A203-F242 HydrophobicContact CB-CE2 4.25Å; A203-F242 HydrophobicContact CB-CZ 3.81Å; Q240-F242 HydrophobicContact CB-CE2 3.85Å; Q240-F242 HydrophobicContact CB-CZ 4.36Å; Q240-F242 WeakPolarHBondContact O-CD2 3.48Å; F242-D446 HydrophobicContact CB-CB 4.33Å; F242-D446 HydrophobicContact CD1-CB 4.28Å; F242-W447 CarbonylContact C-O 3.49Å; F242-W447 WeakPolarHBondContact CA-O 3.47Å; F242-L448 HydrophobicContact CD1-CB 3.9Å; F242-L448 HydrophobicContact CD1-CG 4.28Å; F242-L448 HydrophobicContact CE1-CB 3.57Å; F242-L448 HydrophobicContact CE1-CD1 3.85Å; F242-L448 HydrophobicContact CE1-CG 3.7Å; F242-L448 HydrophobicContact CE2-CG 4.44Å; F242-L448 HydrophobicContact CZ-CB 4.2Å; F242-L448 HydrophobicContact CZ-CD1 3.71Å; F242-L448 HydrophobicContact CZ-CG 3.79Å
243	I	97.2	Very high	93.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	163.3	-61.5	178	0	0	0	107.5	L192 I197 V198 T245 D446 W447 I449 F573 F574	L192-I243 HydrophobicContact CD1-CD1 4.27Å; I197-I243 HydrophobicContact CG2-CG2 4.03Å; V198-I243 HydrophobicContact CG2-CG1 3.85Å; I243-T245 HydrophobicContact CG2-CG2 4.17Å; I243-T245 PolarHBondContact O-N 2.93Å; I243-D446 WeakPolarHBondContact O-CB 3.33Å; I243-W447 HydrophobicContact CB-CB 4.34Å; I243-W447 HydrophobicContact CB-CE3 4.31Å; I243-W447 HydrophobicContact CD1-CD2 4.36Å; I243-W447 HydrophobicContact CD1-CE3 3.75Å; I243-W447 HydrophobicContact CD1-CZ3 3.93Å; I243-W447 PolarHBondContact N-O 3.16Å; I243-W447 PolarHBondContact O-N 3.3Å; I243-I449 HydrophobicContact CD1-CD1 4.18Å; I243-I449 HydrophobicContact CD1-CG2 3.72Å; I243-I449 HydrophobicContact CG1-CD1 3.93Å; I243-I449 HydrophobicContact CG1-CG1 4.4Å; I243-I449 HydrophobicContact CG1-CG2 3.92Å; I243-F573 HydrophobicContact CG2-CD1 4.47Å; I243-F573 HydrophobicContact CG2-CE1 3.49Å; I243-F573 VanDerWaalsContact CG2-CE1 3.49Å; I243-F573 HydrophobicContact CG2-CE2 4.16Å; I243-F573 HydrophobicContact CG2-CZ 3.3Å; I243-F574 HydrophobicContact CD1-CE2 4.46Å
244	K	95.3	Very high	93.7	Very high	47 Å²	47	42.1 Å²	42.1	20%	0.204	20%	0.204	C	C	.	.			trans	-72.7	68.5	178	-167.7	-177.1	-87.1	-179	0	111.7	I197 Y199 T246 A247 D446	I197-K244 HydrophobicContact CG2-CB 4.06Å; I197-K244 VanDerWaalsContact O-CB 3.25Å; I197-K244 WeakPolarHBondContact O-CB 3.38Å; I197-K244 PolarHBondContact O-N 3.38Å; Y199-K244 HydrophobicContact CD1-CB 4.35Å; Y199-K244 HydrophobicContact CE1-CB 4Å; K244-T246 VanDerWaalsContact CG-OG1 3.32Å; K244-T246 WeakPolarHBondContact CG-OG1 3.32Å; K244-T246 PolarHBondContact O-N 3.26Å; K244-A247 HydrophobicContact CD-CB 4.14Å; K244-A247 HydrophobicContact CG-CB 4.09Å; K244-A247 VanDerWaalsContact O-CB 3.28Å; K244-A247 WeakPolarHBondContact O-CB 3.47Å; K244-A247 PolarHBondContact O-N 3.27Å; K244-A247 VanDerWaalsContact O-N 3.11Å; K244-D446 VanDerWaalsContact CA-OD1 3.27Å; K244-D446 WeakPolarHBondContact CA-OD1 3.35Å
245	T	95.3	Very high	93.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.4	-26.1	176.3	49	0	0	0	0	112	I243 A247 Y248 A249 R445 D446 W447 F569 F573	I243-T245 HydrophobicContact CG2-CG2 4.17Å; I243-T245 PolarHBondContact O-N 2.93Å; T245-A247 PolarHBondContact O-N 2.95Å; T245-Y248 PolarHBondContact O-N 3.34Å; T245-Y248 VanDerWaalsContact O-N 3.11Å; T245-A249 PolarHBondContact O-N 2.98Å; T245-R445 PolarHBondContact OG1-O 2.9Å; T245-D446 PolarHBondContact N-OD1 2.87Å; T245-W447 HydrophobicContact CG2-CB 3.75Å; T245-W447 HydrophobicContact CG2-CE3 4.2Å; T245-F569 HydrophobicContact CG2-CE1 4.26Å; T245-F573 HydrophobicContact CG2-CD1 4.46Å; T245-F573 HydrophobicContact CG2-CD2 3.98Å; T245-F573 HydrophobicContact CG2-CE2 4.2Å; T245-F573 HydrophobicContact CG2-CG 4.12Å
246	T	94.3	Very high	94.4	Very high	20 Å²	20	34.6 Å²	34.6	12%	0.123	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.4	-26.6	173	53.8	0	0	0	0	113.2	K244 Y248 A249 L444 D446	K244-T246 VanDerWaalsContact CG-OG1 3.32Å; K244-T246 WeakPolarHBondContact CG-OG1 3.32Å; K244-T246 PolarHBondContact O-N 3.26Å; T246-Y248 PolarHBondContact O-N 3.46Å; T246-A249 VanDerWaalsContact O-CB 3.28Å; T246-A249 WeakPolarHBondContact O-CB 3.46Å; T246-A249 PolarHBondContact O-N 3.41Å; T246-A249 VanDerWaalsContact O-N 3.14Å; T246-L444 HydrophobicContact CG2-CB 4.32Å; T246-L444 HydrophobicContact CG2-CD2 4.12Å; T246-L444 HydrophobicContact CG2-CG 4.05Å; T246-D446 WeakPolarHBondContact CB-OD1 3.47Å; T246-D446 WeakPolarHBondContact CG2-OD1 3.31Å; T246-D446 PolarHBondContact N-OD1 2.88Å; T246-D446 PolarHBondContact OG1-OD1 2.78Å
247	A	95.3	Very high	94.9	Very high	21 Å²	21	35.2 Å²	35.2	17%	0.174	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.7	176.7	0	0	0	0	0	113.2	K244 T245 D438	K244-A247 HydrophobicContact CD-CB 4.14Å; K244-A247 HydrophobicContact CG-CB 4.09Å; K244-A247 VanDerWaalsContact O-CB 3.28Å; K244-A247 WeakPolarHBondContact O-CB 3.47Å; K244-A247 PolarHBondContact O-N 3.27Å; K244-A247 VanDerWaalsContact O-N 3.11Å; T245-A247 PolarHBondContact O-N 2.95Å; A247-D438 HydrophobicContact CB-CB 4.41Å
248	Y	96.9	Very high	95.1	Very high	26 Å²	26	38.7 Å²	38.7	10%	0.102	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-106.6	4.4	-180	-75.9	-92.3	0	0	0	113.1	I197 T245 T246 K250 A251 M252 F573 H576 F577 D580	I197-Y248 HydrophobicContact CD1-CE2 3.98Å; T245-Y248 PolarHBondContact O-N 3.34Å; T245-Y248 VanDerWaalsContact O-N 3.11Å; T246-Y248 PolarHBondContact O-N 3.46Å; Y248-K250 PolarHBondContact O-N 3.41Å; Y248-A251 PolarHBondContact O-N 3.11Å; Y248-M252 WeakPolarHBondContact O-CB 3.22Å; Y248-M252 WeakPolarHBondContact O-CG 3.38Å; Y248-M252 PolarHBondContact O-N 2.91Å; Y248-F573 AromaticContact CD2-CD2 3.95Å; Y248-F573 HydrophobicContact CD2-CD2 3.95Å; Y248-F573 AromaticContact CD2-CE2 3.57Å; Y248-F573 HydrophobicContact CD2-CE2 3.57Å; Y248-F573 HydrophobicContact CE2-CE2 4.17Å; Y248-F573 HydrophobicContact CG-CD2 4.19Å; Y248-F573 HydrophobicContact CG-CE2 4.26Å; Y248-H576 HydrophobicContact CD1-CB 3.6Å; Y248-H576 HydrophobicContact CE1-CB 3.84Å; Y248-F577 HydrophobicContact CE2-CD2 4.39Å; Y248-D580 WeakPolarHBondContact CE1-OD2 3.27Å; Y248-D580 VanDerWaalsContact CZ-OD2 3.24Å; Y248-D580 PolarHBondContact OH-OD2 3.28Å
249	A	96.8	Very high	95.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54.1	-54.3	-174.2	0	0	0	0	0	112.2	T245 T246 A251 M252 F253 I273 T440 L444	T245-A249 PolarHBondContact O-N 2.98Å; T246-A249 VanDerWaalsContact O-CB 3.28Å; T246-A249 WeakPolarHBondContact O-CB 3.46Å; T246-A249 PolarHBondContact O-N 3.41Å; T246-A249 VanDerWaalsContact O-N 3.14Å; A249-A251 PolarHBondContact O-N 3.37Å; A249-M252 PolarHBondContact O-N 3.41Å; A249-F253 WeakPolarHBondContact O-CB 3.18Å; A249-F253 PolarHBondContact O-N 3.08Å; A249-I273 HydrophobicContact CB-CG2 4.18Å; A249-T440 WeakPolarHBondContact CB-OG1 3.42Å; A249-L444 HydrophobicContact CB-CD2 3.59Å
250	K	96.9	Very high	95.5	Very high	69 Å²	69	32.7 Å²	32.7	30%	0.3	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-44.7	179.1	-178.2	58.5	175.6	158.2	0	112.8	Y248 M252 F253 D254 C276 L439	Y248-K250 PolarHBondContact O-N 3.41Å; K250-M252 PolarHBondContact O-N 3.02Å; K250-F253 PolarHBondContact O-N 3.48Å; K250-D254 WeakPolarHBondContact CE-OD1 3.49Å; K250-D254 WeakPolarHBondContact CE-OD2 3.48Å; K250-D254 IonicContact NZ-OD1 3.83Å; K250-D254 PolarHBondContact NZ-OD1 3.33Å; K250-D254 IonicContact NZ-OD2 3.15Å; K250-D254 PolarHBondContact NZ-OD2 3.13Å; K250-D254 VanDerWaalsContact O-CG 3.29Å; K250-D254 PolarHBondContact O-N 2.97Å; K250-C276 HydrophobicContact CB-CB 4.03Å; K250-C276 HydrophobicContact CD-CB 3.71Å; K250-C276 HydrophobicContact CG-CB 4.45Å; K250-L439 HydrophobicContact CB-CB 3.88Å; K250-L439 WeakPolarHBondContact CB-O 3.36Å; K250-L439 HydrophobicContact CG-CB 4.16Å; K250-L439 HydrophobicContact CG-CD1 4.44Å; K250-L439 PolarHBondContact N-O 3.33Å
251	A	96.6	Very high	95.3	Very high	45 Å²	45	35.3 Å²	35.3	37%	0.372	20%	0.197	S	C	.	.	H	α-helix	trans	-62.8	-42.8	-180	0	0	0	0	0	111.8	Y248 A249 A255	Y248-A251 PolarHBondContact O-N 3.11Å; A249-A251 PolarHBondContact O-N 3.37Å; A251-A255 VanDerWaalsContact O-CB 3.3Å; A251-A255 WeakPolarHBondContact O-CB 3.28Å; A251-A255 PolarHBondContact O-N 2.87Å; A251-A255 VanDerWaalsContact O-N 3.15Å
252	M	97.4	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.7	-37.3	175.1	-71.1	-170.8	-66.4	0	0	111.9	Y248 A249 K250 L256 I273 F569 R572 F573	Y248-M252 WeakPolarHBondContact O-CB 3.22Å; Y248-M252 WeakPolarHBondContact O-CG 3.38Å; Y248-M252 PolarHBondContact O-N 2.91Å; A249-M252 PolarHBondContact O-N 3.41Å; K250-M252 PolarHBondContact O-N 3.02Å; M252-L256 WeakPolarHBondContact O-CG 3.38Å; M252-L256 PolarHBondContact O-N 3.45Å; M252-I273 HydrophobicContact CB-CD1 4.18Å; M252-F569 HydrophobicContact CE-CD2 4.34Å; M252-F569 HydrophobicContact CE-CE1 4.38Å; M252-F569 HydrophobicContact CE-CE2 3.42Å; M252-F569 VanDerWaalsContact CE-CE2 3.42Å; M252-F569 HydrophobicContact CE-CZ 3.46Å; M252-F569 VanDerWaalsContact CE-CZ 3.46Å; M252-F569 HydrophobicContact SD-CD2 4.45Å; M252-F569 HydrophobicContact SD-CE2 4.07Å; M252-F569 HydrophobicContact SD-CZ 4.47Å; M252-R572 PolarHBondContact O-NH1 3.1Å; M252-R572 PolarHBondContact O-NH2 2.99Å; M252-R572 HydrophobicContact SD-CB 4.14Å; M252-F573 HydrophobicContact CE-CB 4.3Å; M252-F573 HydrophobicContact SD-CB 3.89Å
253	F	97.5	Very high	94.8	Very high	63 Å²	63	42.5 Å²	42.5	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-49.7	176.4	-174.3	-88.8	0	0	0	111.2	A249 K250 A255 L256 A270 I273	A249-F253 WeakPolarHBondContact O-CB 3.18Å; A249-F253 PolarHBondContact O-N 3.08Å; K250-F253 PolarHBondContact O-N 3.48Å; F253-A255 VanDerWaalsContact C-N 3.35Å; F253-A255 PolarHBondContact O-N 2.86Å; F253-L256 VanDerWaalsContact O-CB 3.3Å; F253-L256 WeakPolarHBondContact O-CB 2.98Å; F253-L256 PolarHBondContact O-N 3.48Å; F253-A270 HydrophobicContact CE2-CB 3.94Å; F253-I273 HydrophobicContact CB-CD1 4.5Å; F253-I273 HydrophobicContact CB-CG2 4.11Å; F253-I273 HydrophobicContact CD2-CB 4.24Å; F253-I273 HydrophobicContact CD2-CG2 4.05Å
254	D	96.8	Very high	94.5	Very high	73 Å²	73	44 Å²	44	39%	0.39	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-41.6	-177.9	-68.2	-17.5	0	0	0	111.6	K250 L256 S257	K250-D254 WeakPolarHBondContact CE-OD1 3.49Å; K250-D254 WeakPolarHBondContact CE-OD2 3.48Å; K250-D254 IonicContact NZ-OD1 3.83Å; K250-D254 PolarHBondContact NZ-OD1 3.33Å; K250-D254 IonicContact NZ-OD2 3.15Å; K250-D254 PolarHBondContact NZ-OD2 3.13Å; K250-D254 VanDerWaalsContact O-CG 3.29Å; K250-D254 PolarHBondContact O-N 2.97Å; D254-L256 PolarHBondContact O-N 2.61Å; D254-L256 VanDerWaalsContact O-N 3.17Å; D254-S257 PolarHBondContact O-N 2.65Å; D254-S257 PolarHBondContact O-OG 3.04Å
255	A	96.4	Very high	94.4	Very high	14 Å²	14	41.8 Å²	41.8	12%	0.116	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-15.7	179.2	0	0	0	0	0	114	A251 F253 S257 D258 E588	A251-A255 VanDerWaalsContact O-CB 3.3Å; A251-A255 WeakPolarHBondContact O-CB 3.28Å; A251-A255 PolarHBondContact O-N 2.87Å; A251-A255 VanDerWaalsContact O-N 3.15Å; F253-A255 VanDerWaalsContact C-N 3.35Å; F253-A255 PolarHBondContact O-N 2.86Å; A255-S257 PolarHBondContact O-N 3.44Å; A255-D258 PolarHBondContact O-N 3.39Å; A255-D258 VanDerWaalsContact O-N 3.16Å; A255-E588 HydrophobicContact CB-CG 4.45Å; A255-E588 WeakPolarHBondContact CB-OE1 3.12Å
256	L	96.3	Very high	94.4	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-59.1	-32.1	173.7	-70.6	173.7	0	0	0	111.9	M252 F253 D254 D258 L259 K266 Q269 A270 R572	M252-L256 WeakPolarHBondContact O-CG 3.38Å; M252-L256 PolarHBondContact O-N 3.45Å; F253-L256 VanDerWaalsContact O-CB 3.3Å; F253-L256 WeakPolarHBondContact O-CB 2.98Å; F253-L256 PolarHBondContact O-N 3.48Å; D254-L256 PolarHBondContact O-N 2.61Å; D254-L256 VanDerWaalsContact O-N 3.17Å; L256-D258 PolarHBondContact O-N 3.1Å; L256-L259 HydrophobicContact CD2-CD1 4.11Å; L256-L259 PolarHBondContact O-N 2.96Å; L256-K266 VanDerWaalsContact O-CD 3.3Å; L256-K266 WeakPolarHBondContact O-CD 3.42Å; L256-K266 WeakPolarHBondContact O-CE 3.47Å; L256-K266 PolarHBondContact O-NZ 2.64Å; L256-Q269 HydrophobicContact CD1-CB 4.22Å; L256-Q269 HydrophobicContact CD2-CB 4.11Å; L256-A270 HydrophobicContact CD1-CB 3.86Å; L256-R572 VanDerWaalsContact CD2-NH1 3.33Å
257	S	94.3	Very high	94.4	Very high	91 Å²	91	48.9 Å²	48.9	64%	0.636	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-61.7	-34.4	179.4	62.5	0	0	0	0	112.3	D254 A255 K266	D254-S257 PolarHBondContact O-N 2.65Å; D254-S257 PolarHBondContact O-OG 3.04Å; A255-S257 PolarHBondContact O-N 3.44Å; S257-K266 PolarHBondContact O-NZ 2.68Å
258	D	91.9	Very high	94.4	Very high	134 Å²	134	50.4 Å²	50.4	72%	0.717	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-85.4	-13.3	-174.7	-63.1	-39.1	0	0	0	114.6	A255 L256 P260	A255-D258 PolarHBondContact O-N 3.39Å; A255-D258 VanDerWaalsContact O-N 3.16Å; L256-D258 PolarHBondContact O-N 3.1Å; D258-P260 VanDerWaalsContact O-CD 3.23Å; D258-P260 WeakPolarHBondContact O-CD 3.48Å
259	L	93.9	Very high	94.4	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	26%	0.261	C	S	.	.			trans	-76.1	110.8	-176.3	-70.8	173.8	0	0	0	112.4	L256 W262 K266 E588	L256-L259 HydrophobicContact CD2-CD1 4.11Å; L256-L259 PolarHBondContact O-N 2.96Å; L259-W262 HydrophobicContact CB-CB 4.43Å; L259-W262 HydrophobicContact CB-CD2 4.3Å; L259-W262 HydrophobicContact CB-CG 4.01Å; L259-W262 HydrophobicContact CD1-CD2 3.86Å; L259-W262 HydrophobicContact CD1-CE3 3.92Å; L259-W262 HydrophobicContact CD1-CG 4.41Å; L259-W262 HydrophobicContact CD1-CH2 4.12Å; L259-W262 HydrophobicContact CD1-CZ2 4.02Å; L259-W262 HydrophobicContact CD1-CZ3 4.08Å; L259-W262 HydrophobicContact CD2-CZ2 4.14Å; L259-K266 WeakPolarHBondContact O-CE 3.38Å; L259-K266 PolarHBondContact O-NZ 3.14Å; L259-E588 HydrophobicContact CD2-CB 3.79Å; L259-E588 HydrophobicContact CD2-CG 3.67Å; L259-E588 HydrophobicContact CG-CG 4.39Å
260	P	91.1	Very high	94.3	Very high	42 Å²	42	50.5 Å²	50.5	27%	0.273	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	138.8	-178.9	29.3	-33.4	0	0	0	112	D258 W262 H591 K592	D258-P260 VanDerWaalsContact O-CD 3.23Å; D258-P260 WeakPolarHBondContact O-CD 3.48Å; P260-W262 VanDerWaalsContact C-N 3.27Å; P260-W262 VanDerWaalsContact O-CD1 3.31Å; P260-W262 PolarHBondContact O-N 3.31Å; P260-H591 VanDerWaalsContact CD-O 3.29Å; P260-H591 WeakPolarHBondContact CD-O 3.45Å; P260-H591 VanDerWaalsContact CG-CE1 3.49Å; P260-H591 WeakPolarHBondContact CG-CE1 3.38Å; P260-H591 WeakPolarHBondContact CG-O 3.4Å; P260-K592 HydrophobicContact CG-CG 4.47Å
261	E	89.4	Confident	94.2	Very high	63 Å²	63	52.7 Å²	52.7	29%	0.294	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	24.6	167.7	-58.2	165.3	-153.7	0	0	115.3	Y263 K592	E261-Y263 HydrophobicContact CB-CD2 4.34Å; E261-Y263 HydrophobicContact CB-CE2 3.73Å; E261-Y263 HydrophobicContact CG-CE2 3.91Å; E261-Y263 PolarHBondContact O-N 2.87Å; E261-Y263 VanDerWaalsContact O-N 3.14Å; E261-K592 WeakPolarHBondContact OE1-CE 3.39Å; E261-K592 IonicContact OE1-NZ 3.79Å; E261-K592 PolarHBondContact OE1-NZ 3.4Å; E261-K592 VanDerWaalsContact OE2-CD 3.25Å; E261-K592 WeakPolarHBondContact OE2-CD 3.31Å; E261-K592 WeakPolarHBondContact OE2-CE 3.33Å; E261-K592 IonicContact OE2-NZ 3.48Å; E261-K592 PolarHBondContact OE2-NZ 3.17Å
262	W	93.9	Very high	94	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.008	28%	0.283	C	S	.	.			trans	-85	49.4	169.8	-79.2	50.8	0	0	0	112.3	L259 P260 G264 I265 K266 R572 F590 H591 L593	L259-W262 HydrophobicContact CB-CB 4.43Å; L259-W262 HydrophobicContact CB-CD2 4.3Å; L259-W262 HydrophobicContact CB-CG 4.01Å; L259-W262 HydrophobicContact CD1-CD2 3.86Å; L259-W262 HydrophobicContact CD1-CE3 3.92Å; L259-W262 HydrophobicContact CD1-CG 4.41Å; L259-W262 HydrophobicContact CD1-CH2 4.12Å; L259-W262 HydrophobicContact CD1-CZ2 4.02Å; L259-W262 HydrophobicContact CD1-CZ3 4.08Å; L259-W262 HydrophobicContact CD2-CZ2 4.14Å; P260-W262 VanDerWaalsContact C-N 3.27Å; P260-W262 VanDerWaalsContact O-CD1 3.31Å; P260-W262 PolarHBondContact O-N 3.31Å; W262-G264 PolarHBondContact O-N 3.06Å; W262-I265 HydrophobicContact CE3-CB 4.23Å; W262-I265 HydrophobicContact CE3-CG2 3.61Å; W262-I265 HydrophobicContact CZ3-CG2 4.02Å; W262-I265 PolarHBondContact O-N 2.98Å; W262-K266 HydrophobicContact CB-CG 3.83Å; W262-K266 PolarHBondContact O-N 3.07Å; W262-R572 HydrophobicContact CH2-CG 4.23Å; W262-F590 AromaticContact CH2-CD2 3.92Å; W262-F590 HydrophobicContact CH2-CD2 3.92Å; W262-F590 HydrophobicContact CZ2-CB 3.84Å; W262-F590 AromaticContact CZ2-CD2 3.89Å; W262-F590 HydrophobicContact CZ2-CD2 3.89Å; W262-F590 HydrophobicContact CZ2-CG 4.37Å; W262-F590 WeakPolarHBondContact CZ2-O 3.4Å; W262-F590 PolarHBondContact NE1-O 3.07Å; W262-H591 PolarHBondContact NE1-O 2.77Å; W262-L593 HydrophobicContact CD2-CB 4.12Å; W262-L593 HydrophobicContact CD2-CD2 4.06Å; W262-L593 HydrophobicContact CE3-CD2 4.05Å; W262-L593 HydrophobicContact CG-CB 4.04Å; W262-L593 HydrophobicContact CG-CD2 4.45Å; W262-L593 HydrophobicContact CZ3-CD2 4.48Å
263	Y	88.4	Confident	93.9	Very high	164 Å²	164	54.2 Å²	54.2	64%	0.643	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	128.9	-171.7	-57.6	-65.9	0	0	0	112.5	E261 I265	E261-Y263 HydrophobicContact CB-CD2 4.34Å; E261-Y263 HydrophobicContact CB-CE2 3.73Å; E261-Y263 HydrophobicContact CG-CE2 3.91Å; E261-Y263 PolarHBondContact O-N 2.87Å; E261-Y263 VanDerWaalsContact O-N 3.14Å; Y263-I265 PolarHBondContact O-N 3.07Å
264	G	88.9	Confident	93.7	Very high	31 Å²	31	51.5 Å²	51.5	32%	0.32	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-29.6	-178.3	0	0	0	0	0	114.6	W262 E267 M268	W262-G264 PolarHBondContact O-N 3.06Å; G264-E267 WeakPolarHBondContact CA-OE2 3.44Å; G264-E267 PolarHBondContact N-OE2 3.09Å; G264-E267 VanDerWaalsContact N-OE2 3.11Å; G264-M268 WeakPolarHBondContact O-CE 3.42Å; G264-M268 WeakPolarHBondContact O-CG 3.46Å; G264-M268 PolarHBondContact O-N 3.42Å
265	I	94.6	Very high	93.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-75.7	-37.4	-178.4	-57.7	-75.9	0	0	0	111.1	W262 Y263 E267 M268 Q269 K561 A564 L568 L593 V595	W262-I265 HydrophobicContact CE3-CB 4.23Å; W262-I265 HydrophobicContact CE3-CG2 3.61Å; W262-I265 HydrophobicContact CZ3-CG2 4.02Å; W262-I265 PolarHBondContact O-N 2.98Å; Y263-I265 PolarHBondContact O-N 3.07Å; I265-E267 VanDerWaalsContact C-N 3.35Å; I265-E267 PolarHBondContact O-N 3.34Å; I265-M268 HydrophobicContact CD1-CE 3.62Å; I265-M268 HydrophobicContact CG1-CE 4.3Å; I265-M268 PolarHBondContact O-N 3.5Å; I265-Q269 HydrophobicContact CG2-CG 4.47Å; I265-Q269 PolarHBondContact O-N 2.91Å; I265-K561 HydrophobicContact CD1-CG 4.26Å; I265-A564 HydrophobicContact CD1-CB 3.6Å; I265-A564 HydrophobicContact CG2-CB 4.37Å; I265-L568 HydrophobicContact CD1-CD1 4.47Å; I265-L568 HydrophobicContact CG2-CD1 4Å; I265-L593 HydrophobicContact CB-CD2 4.11Å; I265-L593 HydrophobicContact CD1-CD2 4.36Å; I265-L593 HydrophobicContact CG1-CD2 3.68Å; I265-L593 HydrophobicContact CG2-CD2 4.05Å; I265-V595 HydrophobicContact CD1-CG2 4Å; I265-V595 HydrophobicContact CG1-CG2 3.71Å
266	K	95.1	Very high	93.5	Very high	51 Å²	51	53 Å²	53	22%	0.222	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-48.2	174.5	-69	-173.2	-176.3	-156.9	0	111.9	L256 S257 L259 W262 Q269 A270	L256-K266 VanDerWaalsContact O-CD 3.3Å; L256-K266 WeakPolarHBondContact O-CD 3.42Å; L256-K266 WeakPolarHBondContact O-CE 3.47Å; L256-K266 PolarHBondContact O-NZ 2.64Å; S257-K266 PolarHBondContact O-NZ 2.68Å; L259-K266 WeakPolarHBondContact O-CE 3.38Å; L259-K266 PolarHBondContact O-NZ 3.14Å; W262-K266 HydrophobicContact CB-CG 3.83Å; W262-K266 PolarHBondContact O-N 3.07Å; K266-Q269 PolarHBondContact O-N 3.21Å; K266-A270 VanDerWaalsContact O-CB 3.27Å; K266-A270 WeakPolarHBondContact O-CB 3.16Å; K266-A270 PolarHBondContact O-N 3.08Å
267	E	94.8	Very high	93.4	Very high	119 Å²	119	54.7 Å²	54.7	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-66.4	-40.5	-177.5	-62.2	79	-171.5	0	0	111.1	G264 I265 A270 N271	G264-E267 WeakPolarHBondContact CA-OE2 3.44Å; G264-E267 PolarHBondContact N-OE2 3.09Å; G264-E267 VanDerWaalsContact N-OE2 3.11Å; I265-E267 VanDerWaalsContact C-N 3.35Å; I265-E267 PolarHBondContact O-N 3.34Å; E267-A270 PolarHBondContact O-N 3.43Å; E267-N271 WeakPolarHBondContact O-CB 3.46Å; E267-N271 PolarHBondContact O-N 3.28Å
268	M	95	Very high	93.4	Very high	54 Å²	54	50.4 Å²	50.4	27%	0.266	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-45	174.7	-75.5	-177.1	-78.2	0	0	111.8	G264 I265 W272 K561 A564 V565	G264-M268 WeakPolarHBondContact O-CE 3.42Å; G264-M268 WeakPolarHBondContact O-CG 3.46Å; G264-M268 PolarHBondContact O-N 3.42Å; I265-M268 HydrophobicContact CD1-CE 3.62Å; I265-M268 HydrophobicContact CG1-CE 4.3Å; I265-M268 PolarHBondContact O-N 3.5Å; M268-W272 VanDerWaalsContact O-CB 3.25Å; M268-W272 WeakPolarHBondContact O-CB 3.26Å; M268-W272 PolarHBondContact O-N 3.11Å; M268-K561 HydrophobicContact CE-CD 4Å; M268-K561 HydrophobicContact CE-CG 3.83Å; M268-K561 VanDerWaalsContact SD-CE 3.58Å; M268-K561 HydrophobicContact SD-CG 4.44Å; M268-A564 HydrophobicContact CB-CB 4.34Å; M268-A564 HydrophobicContact CE-CB 4Å; M268-A564 HydrophobicContact SD-CB 4.06Å; M268-V565 HydrophobicContact CB-CG1 4.31Å
269	Q	95.8	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.2	-38.1	177.1	-72.3	-162.2	3.9	0	0	112.8	L256 I265 K266 N271 W272 I273 A564	L256-Q269 HydrophobicContact CD1-CB 4.22Å; L256-Q269 HydrophobicContact CD2-CB 4.11Å; I265-Q269 HydrophobicContact CG2-CG 4.47Å; I265-Q269 PolarHBondContact O-N 2.91Å; K266-Q269 PolarHBondContact O-N 3.21Å; Q269-N271 PolarHBondContact O-N 3.29Å; Q269-W272 PolarHBondContact O-N 3Å; Q269-I273 WeakPolarHBondContact O-CB 3.4Å; Q269-I273 VanDerWaalsContact O-CG1 3.26Å; Q269-I273 WeakPolarHBondContact O-CG1 3.4Å; Q269-I273 PolarHBondContact O-N 2.96Å; Q269-A564 WeakPolarHBondContact CG-O 3.22Å; Q269-A564 PolarHBondContact NE2-O 3.26Å
270	A	96.3	Very high	93.6	Very high	28 Å²	28	45.6 Å²	45.6	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-43.9	175.6	0	0	0	0	0	111.2	F253 L256 K266 E267 G274	F253-A270 HydrophobicContact CE2-CB 3.94Å; L256-A270 HydrophobicContact CD1-CB 3.86Å; K266-A270 VanDerWaalsContact O-CB 3.27Å; K266-A270 WeakPolarHBondContact O-CB 3.16Å; K266-A270 PolarHBondContact O-N 3.08Å; E267-A270 PolarHBondContact O-N 3.43Å; A270-G274 PolarHBondContact O-N 2.76Å
271	N	94.3	Very high	93.9	Very high	114 Å²	114	43.8 Å²	43.8	61%	0.61	23%	0.231	S	C	*	.	H	α-helix	trans	-66.9	-37.9	175.5	-177.2	53	0	0	0	112.4	E267 Q269	E267-N271 WeakPolarHBondContact O-CB 3.46Å; E267-N271 PolarHBondContact O-N 3.28Å; Q269-N271 PolarHBondContact O-N 3.29Å
272	W	92.3	Very high	94.2	Very high	77 Å²	77	42.1 Å²	42.1	29%	0.292	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-46.7	176.7	-175.3	-102.8	0	0	0	112.5	E218 M268 Q269 V565	E218-W272 HydrophobicContact CG-CH2 3.86Å; E218-W272 HydrophobicContact CG-CZ2 3.51Å; E218-W272 WeakPolarHBondContact OE1-CZ2 3.16Å; M268-W272 VanDerWaalsContact O-CB 3.25Å; M268-W272 WeakPolarHBondContact O-CB 3.26Å; M268-W272 PolarHBondContact O-N 3.11Å; Q269-W272 PolarHBondContact O-N 3Å; W272-V565 HydrophobicContact CB-CB 4.21Å; W272-V565 HydrophobicContact CB-CG1 3.68Å; W272-V565 HydrophobicContact CD2-CB 3.78Å; W272-V565 HydrophobicContact CD2-CG1 4.12Å; W272-V565 HydrophobicContact CD2-CG2 4.2Å; W272-V565 HydrophobicContact CE3-CB 4.17Å; W272-V565 HydrophobicContact CE3-CG1 4.35Å; W272-V565 HydrophobicContact CE3-CG2 4.14Å; W272-V565 HydrophobicContact CG-CB 3.77Å; W272-V565 HydrophobicContact CG-CG1 3.81Å; W272-V565 HydrophobicContact CZ3-CG2 4.46Å
273	I	94.9	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.9	-37.9	178	-66.7	167.6	0	0	0	110.5	A249 M252 F253 Q269 C276 S441 F569	A249-I273 HydrophobicContact CB-CG2 4.18Å; M252-I273 HydrophobicContact CB-CD1 4.18Å; F253-I273 HydrophobicContact CB-CD1 4.5Å; F253-I273 HydrophobicContact CB-CG2 4.11Å; F253-I273 HydrophobicContact CD2-CB 4.24Å; F253-I273 HydrophobicContact CD2-CG2 4.05Å; Q269-I273 WeakPolarHBondContact O-CB 3.4Å; Q269-I273 VanDerWaalsContact O-CG1 3.26Å; Q269-I273 WeakPolarHBondContact O-CG1 3.4Å; Q269-I273 PolarHBondContact O-N 2.96Å; I273-C276 VanDerWaalsContact CG2-SG 3.55Å; I273-S441 WeakPolarHBondContact O-CB 3.35Å; I273-S441 PolarHBondContact O-OG 2.7Å; I273-F569 HydrophobicContact CD1-CD2 4.35Å; I273-F569 HydrophobicContact CD1-CE2 3.93Å; I273-F569 HydrophobicContact CG1-CD2 4.27Å; I273-F569 HydrophobicContact CG1-CE2 3.67Å
274	G	94.3	Very high	94.8	Very high	7 Å²	7	35.7 Å²	35.7	7%	0.072	20%	0.2	C	C	.	.			trans	74.1	177.2	-176	0	0	0	0	0	113.6	A270 C276	A270-G274 PolarHBondContact O-N 2.76Å; G274-C276 PolarHBondContact O-N 2.95Å
275	D	93.7	Very high	95.2	Very high	114 Å²	114	34.2 Å²	34.2	61%	0.61	19%	0.185	S	C	*	.			trans	-72.6	117.9	-179.3	-173.6	17	0	0	0	111.3	A277 S441	D275-A277 PolarHBondContact O-N 3.33Å; D275-S441 WeakPolarHBondContact O-CA 3.47Å; D275-S441 WeakPolarHBondContact O-CB 3.31Å
276	C	95.2	Very high	95.3	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.034	19%	0.193	C	C	.	.			trans	-87.6	54.9	-174.3	-66.4	0	0	0	0	111.9	K250 I273 G274	K250-C276 HydrophobicContact CB-CB 4.03Å; K250-C276 HydrophobicContact CD-CB 3.71Å; K250-C276 HydrophobicContact CG-CB 4.45Å; I273-C276 VanDerWaalsContact CG2-SG 3.55Å; G274-C276 PolarHBondContact O-N 2.95Å
277	A	92.4	Very high	95.1	Very high	45 Å²	45	35.1 Å²	35.1	37%	0.372	19%	0.192	S	C	.	.			trans	-91.7	-24.3	-177.3	0	0	0	0	0	113.6	D275	D275-A277 PolarHBondContact O-N 3.33Å
278	G	94.9	Very high	94.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-176.3	-176.6	0	0	0	0	0	113.7	Y299 T300 L439 T440	G278-Y299 VanDerWaalsContact CA-OH 3.31Å; G278-Y299 WeakPolarHBondContact CA-OH 3.25Å; G278-Y299 PolarHBondContact N-OH 3.43Å; G278-T300 CarbonylContact C-O 3.56Å; G278-T300 WeakPolarHBondContact CA-O 3.2Å; G278-L439 CarbonylContact O-C 3.6Å; G278-L439 VanDerWaalsContact O-CA 3.28Å; G278-L439 WeakPolarHBondContact O-CA 3.42Å; G278-T440 CarbonylContact C-O 3.58Å; G278-T440 PolarHBondContact N-O 3.27Å; G278-T440 PolarHBondContact O-N 3.31Å
279	C	96.2	Very high	94.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	162.1	171.7	70.5	0	0	0	0	111.6	T300 P303 D438	C279-T300 PolarHBondContact N-O 3.47Å; C279-T300 VanDerWaalsContact N-O 3.08Å; C279-T300 PolarHBondContact O-N 2.93Å; C279-P303 HydrophobicContact CB-CG 4.38Å; C279-P303 VanDerWaalsContact SG-CG 3.56Å; C279-D438 WeakPolarHBondContact CB-O 3.49Å
280	S	95.3	Very high	94	Very high	40 Å²	40	43.5 Å²	43.5	28%	0.28	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145.3	168	-59.2	0	0	0	0	111.8	A298 G436 G437	S280-A298 VanDerWaalsContact CA-O 3.29Å; S280-A298 WeakPolarHBondContact CA-O 3.47Å; S280-G436 WeakPolarHBondContact O-CA 3.45Å; S280-G437 PolarHBondContact O-N 2.69Å
281	L	96.8	Very high	93.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.6	173.3	-65.7	173	0	0	0	110.3	F283 S297 A298 I306 L351 I374 A430 I435	L281-F283 HydrophobicContact CB-CE2 4.11Å; L281-F283 VanDerWaalsContact O-CD2 3.23Å; L281-F283 WeakPolarHBondContact O-CD2 3.21Å; L281-F283 WeakPolarHBondContact O-CE2 3.28Å; L281-S297 WeakPolarHBondContact O-CA 3.41Å; L281-A298 PolarHBondContact N-O 3.18Å; L281-A298 PolarHBondContact O-N 3.49Å; L281-I306 HydrophobicContact CD1-CB 4.41Å; L281-I306 HydrophobicContact CD1-CD1 3.68Å; L281-I306 HydrophobicContact CD1-CG1 3.66Å; L281-L351 HydrophobicContact CD1-CD2 4.25Å; L281-L351 HydrophobicContact CD2-CD2 4.29Å; L281-I374 HydrophobicContact CB-CD1 4.34Å; L281-I374 HydrophobicContact CD1-CD1 4.4Å; L281-A430 HydrophobicContact CD2-CB 3.64Å; L281-I435 WeakPolarHBondContact CA-O 3.34Å
282	D	96.1	Very high	93.6	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.144	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.8	-177.6	-70.5	-11.9	0	0	0	112.9	S297 L350 I435	D282-S297 VanDerWaalsContact OD1-CB 3.26Å; D282-S297 WeakPolarHBondContact OD1-CB 3.5Å; D282-S297 PolarHBondContact OD1-OG 3.23Å; D282-L350 HydrophobicContact CB-CD1 4.03Å; D282-L350 WeakPolarHBondContact O-CB 3.44Å; D282-L350 WeakPolarHBondContact O-CG 3.41Å; D282-L350 PolarHBondContact O-N 3.19Å; D282-L350 VanDerWaalsContact O-N 3.14Å; D282-I435 HydrophobicContact CB-CB 4.19Å; D282-I435 PolarHBondContact N-O 3.09Å
283	F	97.4	Very high	93.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.3	178.5	-65.1	-107.6	0	0	0	110.8	L281 K295 V296 A298 L312 A347 V348 N349 I356 I374	L281-F283 HydrophobicContact CB-CE2 4.11Å; L281-F283 VanDerWaalsContact O-CD2 3.23Å; L281-F283 WeakPolarHBondContact O-CD2 3.21Å; L281-F283 WeakPolarHBondContact O-CE2 3.28Å; F283-K295 CarbonylContact O-C 3.51Å; F283-K295 WeakPolarHBondContact O-CA 3.27Å; F283-V296 PolarHBondContact N-O 3.25Å; F283-V296 PolarHBondContact O-N 3.41Å; F283-A298 HydrophobicContact CD2-CB 4.12Å; F283-A298 HydrophobicContact CE2-CB 3.9Å; F283-L312 HydrophobicContact CB-CD1 4Å; F283-L312 HydrophobicContact CD1-CD1 3.75Å; F283-L312 HydrophobicContact CD1-CD2 4.28Å; F283-L312 HydrophobicContact CD1-CG 4.25Å; F283-L312 HydrophobicContact CD2-CD1 3.96Å; F283-L312 HydrophobicContact CD2-CD2 4.27Å; F283-L312 HydrophobicContact CE1-CD1 4.2Å; F283-L312 HydrophobicContact CE1-CD2 3.87Å; F283-L312 HydrophobicContact CE1-CG 4.23Å; F283-L312 HydrophobicContact CE2-CD1 4.43Å; F283-L312 HydrophobicContact CE2-CD2 3.91Å; F283-L312 HydrophobicContact CG-CD1 3.64Å; F283-L312 HydrophobicContact CG-CD2 4.49Å; F283-L312 HydrophobicContact CZ-CD2 3.71Å; F283-A347 HydrophobicContact CB-CB 4.01Å; F283-A347 HydrophobicContact CD1-CB 4.02Å; F283-A347 HydrophobicContact CG-CB 4.37Å; F283-V348 CarbonylContact C-O 3.55Å; F283-V348 VanDerWaalsContact CA-O 3.23Å; F283-V348 WeakPolarHBondContact CA-O 3.45Å; F283-N349 VanDerWaalsContact CD1-CA 3.41Å; F283-N349 HydrophobicContact CD1-CB 3.82Å; F283-N349 HydrophobicContact CE1-CB 3.41Å; F283-N349 VanDerWaalsContact CE1-CB 3.41Å; F283-N349 HydrophobicContact CZ-CB 4.05Å; F283-I356 HydrophobicContact CE1-CD1 3.78Å; F283-I356 HydrophobicContact CE1-CG1 4.36Å; F283-I374 HydrophobicContact CE2-CD1 3.71Å; F283-I374 HydrophobicContact CE2-CG1 4.08Å; F283-I374 HydrophobicContact CZ-CD1 3.73Å; F283-I374 HydrophobicContact CZ-CG1 4.08Å
284	L	96.9	Very high	93.2	Very high	31 Å²	31	44.2 Å²	44.2	16%	0.162	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.2	174	-176.4	67.7	0	0	0	110.2	I291 K295 V348 L350	L284-I291 HydrophobicContact CD1-CG2 4.12Å; L284-I291 HydrophobicContact CD2-CD1 3.95Å; L284-I291 HydrophobicContact CD2-CG1 4.09Å; L284-I291 HydrophobicContact CD2-CG2 3.66Å; L284-I291 HydrophobicContact CG-CG2 3.96Å; L284-K295 HydrophobicContact CD1-CG 4.09Å; L284-V348 PolarHBondContact N-O 2.61Å; L284-V348 PolarHBondContact O-N 3.38Å; L284-L350 HydrophobicContact CB-CD2 3.98Å
285	L	96.8	Very high	93.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.2	-175.3	-56.7	-169.1	0	0	0	112.3	T292 E294 V296 L320 L327 V345 T346 A347 I358	L285-T292 PolarHBondContact O-N 3Å; L285-T292 PolarHBondContact O-OG1 3.06Å; L285-E294 WeakPolarHBondContact CB-O 3.46Å; L285-E294 HydrophobicContact CD1-CB 4.14Å; L285-E294 HydrophobicContact CG-CB 4.44Å; L285-E294 WeakPolarHBondContact CG-O 3.39Å; L285-E294 PolarHBondContact N-O 3.3Å; L285-V296 HydrophobicContact CD1-CG2 3.94Å; L285-V296 HydrophobicContact CD2-CB 4.33Å; L285-V296 HydrophobicContact CD2-CG2 4.19Å; L285-V296 HydrophobicContact CG-CG2 4.32Å; L285-L320 HydrophobicContact CD1-CD1 3.93Å; L285-L320 HydrophobicContact CD1-CD2 4.04Å; L285-L327 HydrophobicContact CB-CD1 4.04Å; L285-L327 HydrophobicContact CD1-CD1 3.58Å; L285-L327 HydrophobicContact CG-CD1 4.48Å; L285-V345 HydrophobicContact CB-CG1 4.49Å; L285-T346 WeakPolarHBondContact CA-O 3.38Å; L285-A347 HydrophobicContact CD2-CB 4.02Å; L285-I358 HydrophobicContact CD2-CD1 3.54Å
286	K	95.9	Very high	93.1	Very high	41 Å²	41	44.1 Å²	44.1	18%	0.178	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.1	172.8	-73.4	180	179.4	175.8	0	110.3	K290 I291 V345 T346 V348 E355	K286-K290 CarbonylContact C-O 3.53Å; K286-K290 WeakPolarHBondContact CA-O 3.11Å; K286-I291 HydrophobicContact CD-CG1 4.45Å; K286-I291 HydrophobicContact CG-CG1 3.94Å; K286-V345 WeakPolarHBondContact O-CA 3.28Å; K286-V345 VanDerWaalsContact O-CG1 3.25Å; K286-V345 WeakPolarHBondContact O-CG1 3.37Å; K286-T346 WeakPolarHBondContact CB-OG1 3.41Å; K286-T346 PolarHBondContact N-O 3.3Å; K286-T346 PolarHBondContact O-N 2.85Å; K286-V348 HydrophobicContact CD-CG2 3.86Å; K286-V348 VanDerWaalsContact CE-CG2 3.49Å; K286-V348 HydrophobicContact CG-CG2 4.37Å; K286-E355 WeakPolarHBondContact CD-OE2 3.31Å; K286-E355 IonicContact NZ-OE2 2.68Å; K286-E355 PolarHBondContact NZ-OE2 3.22Å
287	V	92.8	Very high	93	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.188	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.7	168.1	73.9	0	0	0	0	108.4	G289 K290 T292 L327 V330 V345	V287-G289 PolarHBondContact O-N 2.88Å; V287-K290 PolarHBondContact N-O 3.11Å; V287-K290 PolarHBondContact O-N 3.01Å; V287-T292 HydrophobicContact CB-CG2 4.3Å; V287-T292 HydrophobicContact CG1-CG2 4.03Å; V287-L327 HydrophobicContact CB-CD2 3.98Å; V287-L327 HydrophobicContact CG1-CD2 4.11Å; V287-L327 HydrophobicContact CG2-CD2 4.43Å; V287-V330 HydrophobicContact CG2-CG1 4.45Å; V287-V345 HydrophobicContact CG2-CG2 4.22Å
288	N	86	Confident	93.2	Very high	135 Å²	135	44.2 Å²	44.2	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	41.7	-176.5	-57	-38.7	0	0	0	113	K290	N288-K290 VanDerWaalsContact C-N 3.25Å; N288-K290 PolarHBondContact O-N 3.34Å
289	G	84.4	Confident	93.2	Very high	54 Å²	54	44.4 Å²	44.4	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-1.6	-180	0	0	0	0	0	116	V287	V287-G289 PolarHBondContact O-N 2.88Å
290	K	91	Very high	93.2	Very high	160 Å²	160	44.5 Å²	44.5	70%	0.696	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.4	178.8	-65.9	-176	-179.1	179.5	0	111.5	K286 V287 N288	K286-K290 CarbonylContact C-O 3.53Å; K286-K290 WeakPolarHBondContact CA-O 3.11Å; V287-K290 PolarHBondContact N-O 3.11Å; V287-K290 PolarHBondContact O-N 3.01Å; N288-K290 VanDerWaalsContact C-N 3.25Å; N288-K290 PolarHBondContact O-N 3.34Å
291	I	91	Very high	93.2	Very high	105 Å²	105	46.3 Å²	46.3	54%	0.538	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.3	174.8	-68.3	169.2	0	0	0	109.6	L284 K286	L284-I291 HydrophobicContact CD1-CG2 4.12Å; L284-I291 HydrophobicContact CD2-CD1 3.95Å; L284-I291 HydrophobicContact CD2-CG1 4.09Å; L284-I291 HydrophobicContact CD2-CG2 3.66Å; L284-I291 HydrophobicContact CG-CG2 3.96Å; K286-I291 HydrophobicContact CD-CG1 4.45Å; K286-I291 HydrophobicContact CG-CG1 3.94Å
292	T	91.3	Very high	93.1	Very high	41 Å²	41	47.2 Å²	47.2	25%	0.252	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-18.9	-177.9	69.7	0	0	0	0	112.3	L285 V287 E294 L327	L285-T292 PolarHBondContact O-N 3Å; L285-T292 PolarHBondContact O-OG1 3.06Å; V287-T292 HydrophobicContact CB-CG2 4.3Å; V287-T292 HydrophobicContact CG1-CG2 4.03Å; T292-E294 PolarHBondContact O-N 3.45Å; T292-E294 PolarHBondContact OG1-N 3.31Å; T292-L327 HydrophobicContact CG2-CD1 4.15Å; T292-L327 HydrophobicContact CG2-CD2 3.81Å; T292-L327 HydrophobicContact CG2-CG 4.35Å
293	G	87.5	Confident	93.1	Very high	56 Å²	56	46 Å²	46	58%	0.577	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	83.5	-10.6	-172.2	0	0	0	0	0	113.9
294	E	90.9	Very high	93.1	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.15	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141	174	-69.4	-167.9	-127.9	0	0	111.4	L285 T292 R319 L320 S325 S326	L285-E294 WeakPolarHBondContact CB-O 3.46Å; L285-E294 HydrophobicContact CD1-CB 4.14Å; L285-E294 HydrophobicContact CG-CB 4.44Å; L285-E294 WeakPolarHBondContact CG-O 3.39Å; L285-E294 PolarHBondContact N-O 3.3Å; T292-E294 PolarHBondContact O-N 3.45Å; T292-E294 PolarHBondContact OG1-N 3.31Å; E294-R319 IonicContact OE2-NH1 3.41Å; E294-R319 PolarHBondContact OE2-NH1 2.87Å; E294-L320 WeakPolarHBondContact OE2-CD2 3.28Å; E294-S325 VanDerWaalsContact CD-OG 3.25Å; E294-S325 PolarHBondContact OE1-OG 3.08Å; E294-S325 PolarHBondContact OE2-OG 3.5Å; E294-S326 WeakPolarHBondContact OE1-CB 3.41Å; E294-S326 PolarHBondContact OE1-N 2.97Å; E294-S326 PolarHBondContact OE1-OG 3.28Å
295	K	92.7	Very high	93.1	Very high	113 Å²	113	45.1 Å²	45.1	49%	0.491	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	150.8	174.4	-66	-177.1	-179.5	-177.1	0	111.6	F283 L284 R319 L350	F283-K295 CarbonylContact O-C 3.51Å; F283-K295 WeakPolarHBondContact O-CA 3.27Å; L284-K295 HydrophobicContact CD1-CG 4.09Å; K295-R319 PolarHBondContact O-NH2 2.91Å; K295-L350 HydrophobicContact CD-CD1 4.49Å
296	V	93.2	Very high	93.1	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.5	171.4	162.9	0	0	0	0	108.5	F283 L285 L320 T372	F283-V296 PolarHBondContact N-O 3.25Å; F283-V296 PolarHBondContact O-N 3.41Å; L285-V296 HydrophobicContact CD1-CG2 3.94Å; L285-V296 HydrophobicContact CD2-CB 4.33Å; L285-V296 HydrophobicContact CD2-CG2 4.19Å; L285-V296 HydrophobicContact CG-CG2 4.32Å; V296-L320 HydrophobicContact CG2-CD1 3.82Å; V296-T372 HydrophobicContact CG1-CG2 3.44Å; V296-T372 VanDerWaalsContact CG1-CG2 3.44Å
297	S	94.1	Very high	93.2	Very high	52 Å²	52	45 Å²	45	36%	0.364	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.9	170.8	-150	0	0	0	0	108.1	L281 D282	L281-S297 WeakPolarHBondContact O-CA 3.41Å; D282-S297 VanDerWaalsContact OD1-CB 3.26Å; D282-S297 WeakPolarHBondContact OD1-CB 3.5Å; D282-S297 PolarHBondContact OD1-OG 3.23Å
298	A	95.6	Very high	93.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.9	-175.9	0	0	0	0	0	110.4	S280 L281 F283 L312 T372 I374	S280-A298 VanDerWaalsContact CA-O 3.29Å; S280-A298 WeakPolarHBondContact CA-O 3.47Å; L281-A298 PolarHBondContact N-O 3.18Å; L281-A298 PolarHBondContact O-N 3.49Å; F283-A298 HydrophobicContact CD2-CB 4.12Å; F283-A298 HydrophobicContact CE2-CB 3.9Å; A298-L312 HydrophobicContact CB-CD1 4.46Å; A298-L312 HydrophobicContact CB-CD2 3.67Å; A298-T372 HydrophobicContact CB-CG2 3.49Å; A298-T372 VanDerWaalsContact CB-CG2 3.49Å; A298-I374 HydrophobicContact CB-CD1 4.22Å; A298-I374 HydrophobicContact CB-CG1 3.52Å
299	Y	96.3	Very high	93.9	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	142.6	-178.9	-175.5	-90.6	0	0	0	112.2	G278 Y301 L370 T372 K373 I374 T440 D442	G278-Y299 VanDerWaalsContact CA-OH 3.31Å; G278-Y299 WeakPolarHBondContact CA-OH 3.25Å; G278-Y299 PolarHBondContact N-OH 3.43Å; Y299-Y301 HydrophobicContact CD1-CD2 4.28Å; Y299-Y301 HydrophobicContact CD1-CE2 4.11Å; Y299-Y301 AromaticContact CE1-CD1 3.71Å; Y299-Y301 HydrophobicContact CE1-CD1 3.71Å; Y299-Y301 HydrophobicContact CE1-CD2 4.03Å; Y299-Y301 AromaticContact CE1-CE1 3.68Å; Y299-Y301 HydrophobicContact CE1-CE1 3.68Å; Y299-Y301 AromaticContact CE1-CE2 3.99Å; Y299-Y301 HydrophobicContact CE1-CE2 3.99Å; Y299-Y301 AromaticContact CE1-CG 3.87Å; Y299-Y301 HydrophobicContact CE1-CG 3.87Å; Y299-Y301 AromaticContact CE1-CZ 3.83Å; Y299-L370 HydrophobicContact CD1-CD1 3.61Å; Y299-L370 HydrophobicContact CD1-CD2 4.3Å; Y299-L370 HydrophobicContact CD2-CD2 4.36Å; Y299-L370 HydrophobicContact CE1-CD1 4.34Å; Y299-L370 HydrophobicContact CG-CD1 4.01Å; Y299-L370 HydrophobicContact CG-CD2 3.86Å; Y299-T372 PolarHBondContact N-O 3.4Å; Y299-K373 CarbonylContact O-C 3.47Å; Y299-K373 WeakPolarHBondContact O-CA 3.3Å; Y299-I374 PolarHBondContact O-N 3.06Å; Y299-T440 HydrophobicContact CE2-CG2 4.07Å; Y299-T440 PolarHBondContact OH-O 3Å; Y299-D442 HydrophobicContact CD1-CB 4.34Å; Y299-D442 HydrophobicContact CE1-CB 3.88Å; Y299-D442 PolarHBondContact OH-N 2.8Å
300	T	95.4	Very high	94.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.3	168.4	179.2	0	0	0	0	111.3	G278 C279 T302 P303 I374 I376	G278-T300 CarbonylContact C-O 3.56Å; G278-T300 WeakPolarHBondContact CA-O 3.2Å; C279-T300 PolarHBondContact N-O 3.47Å; C279-T300 VanDerWaalsContact N-O 3.08Å; C279-T300 PolarHBondContact O-N 2.93Å; T300-T302 PolarHBondContact OG1-N 2.96Å; T300-T302 VanDerWaalsContact OG1-N 3.13Å; T300-P303 HydrophobicContact CG2-CB 4.12Å; T300-P303 HydrophobicContact CG2-CG 4.03Å; T300-I374 HydrophobicContact CG2-CD1 3.99Å; T300-I376 WeakPolarHBondContact OG1-CD1 3.35Å
301	Y	94.4	Very high	94.9	Very high	79 Å²	79	27.6 Å²	27.6	31%	0.31	15%	0.153	S	C	.	.	S	Bend	trans	-82.6	-16.7	173.7	-61.8	-90.4	0	0	0	112.7	Y299 L370 K373 D442	Y299-Y301 HydrophobicContact CD1-CD2 4.28Å; Y299-Y301 HydrophobicContact CD1-CE2 4.11Å; Y299-Y301 AromaticContact CE1-CD1 3.71Å; Y299-Y301 HydrophobicContact CE1-CD1 3.71Å; Y299-Y301 HydrophobicContact CE1-CD2 4.03Å; Y299-Y301 AromaticContact CE1-CE1 3.68Å; Y299-Y301 HydrophobicContact CE1-CE1 3.68Å; Y299-Y301 AromaticContact CE1-CE2 3.99Å; Y299-Y301 HydrophobicContact CE1-CE2 3.99Å; Y299-Y301 AromaticContact CE1-CG 3.87Å; Y299-Y301 HydrophobicContact CE1-CG 3.87Å; Y299-Y301 AromaticContact CE1-CZ 3.83Å; Y301-L370 HydrophobicContact CE2-CD1 4.41Å; Y301-K373 HydrophobicContact CE2-CD 4.39Å; Y301-D442 HydrophobicContact CE1-CB 4.06Å; Y301-D442 WeakPolarHBondContact CE1-OD2 3.44Å; Y301-D442 PolarHBondContact OH-OD2 3.48Å
302	T	95.9	Very high	95.2	Very high	22 Å²	22	22.6 Å²	22.6	14%	0.135	13%	0.128	C	C	.	.			trans	-129.7	68	-178.1	48.2	0	0	0	0	110.1	T300 E304 A305 T379	T300-T302 PolarHBondContact OG1-N 2.96Å; T300-T302 VanDerWaalsContact OG1-N 3.13Å; T302-E304 VanDerWaalsContact C-OE2 3.27Å; T302-E304 PolarHBondContact O-N 3.24Å; T302-E304 VanDerWaalsContact O-N 3.12Å; T302-A305 PolarHBondContact O-N 2.88Å; T302-T379 HydrophobicContact CG2-CG2 4.5Å; T302-T379 PolarHBondContact OG1-OG1 3.44Å; T302-T379 VanDerWaalsContact OG1-OG1 3.1Å
303	P	96.3	Very high	95.5	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.019	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32	-176.4	-22	31.7	0	0	0	113.9	C279 T300 A305 I306 L423 T427	C279-P303 HydrophobicContact CB-CG 4.38Å; C279-P303 VanDerWaalsContact SG-CG 3.56Å; T300-P303 HydrophobicContact CG2-CB 4.12Å; T300-P303 HydrophobicContact CG2-CG 4.03Å; P303-A305 PolarHBondContact O-N 2.79Å; P303-I306 VanDerWaalsContact O-CB 3.31Å; P303-I306 WeakPolarHBondContact O-CB 3.37Å; P303-I306 WeakPolarHBondContact O-CG2 3.32Å; P303-I306 PolarHBondContact O-N 2.84Å; P303-L423 HydrophobicContact CB-CD1 3.7Å; P303-L423 HydrophobicContact CG-CD1 3.69Å; P303-T427 HydrophobicContact CB-CG2 4.37Å
304	E	96.6	Very high	95.9	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.056	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21.6	177.1	73.5	-76.9	-174.5	0	0	114	T302 V408 R419 A422 L423	T302-E304 VanDerWaalsContact C-OE2 3.27Å; T302-E304 PolarHBondContact O-N 3.24Å; T302-E304 VanDerWaalsContact O-N 3.12Å; E304-V408 HydrophobicContact CB-CG1 4.42Å; E304-V408 HydrophobicContact CG-CG1 4.4Å; E304-R419 HydrophobicContact CG-CB 4.06Å; E304-R419 HydrophobicContact CG-CG 4.2Å; E304-R419 IonicContact OE1-CZ 2.78Å; E304-R419 IonicContact OE1-NE 3.73Å; E304-R419 PolarHBondContact OE1-NE 3.33Å; E304-R419 IonicContact OE1-NH2 3.92Å; E304-R419 PolarHBondContact OE1-NH2 3.07Å; E304-A422 HydrophobicContact CB-CB 3.96Å; E304-L423 HydrophobicContact CB-CB 4.07Å
305	A	96.9	Very high	96.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-96.9	14	179.8	0	0	0	0	0	112.9	T302 P303 Y307 G308 I376 T379 V397 I398	T302-A305 PolarHBondContact O-N 2.88Å; P303-A305 PolarHBondContact O-N 2.79Å; A305-Y307 PolarHBondContact O-N 3.39Å; A305-G308 PolarHBondContact O-N 2.84Å; A305-I376 HydrophobicContact CB-CD1 4.42Å; A305-I376 HydrophobicContact CB-CG2 4Å; A305-T379 HydrophobicContact CB-CG2 3.62Å; A305-V397 HydrophobicContact CB-CG2 3.93Å; A305-I398 HydrophobicContact CB-CD1 4.3Å
306	I	96.9	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.2	-171.8	-171.7	59.5	0	0	0	114.6	L281 P303 G308 A309 N349 L351 T352 I374 L426	L281-I306 HydrophobicContact CD1-CB 4.41Å; L281-I306 HydrophobicContact CD1-CD1 3.68Å; L281-I306 HydrophobicContact CD1-CG1 3.66Å; P303-I306 VanDerWaalsContact O-CB 3.31Å; P303-I306 WeakPolarHBondContact O-CB 3.37Å; P303-I306 WeakPolarHBondContact O-CG2 3.32Å; P303-I306 PolarHBondContact O-N 2.84Å; I306-G308 PolarHBondContact O-N 3.12Å; I306-A309 HydrophobicContact CD1-CB 4.28Å; I306-A309 WeakPolarHBondContact O-CB 3.28Å; I306-A309 PolarHBondContact O-N 2.98Å; I306-A309 VanDerWaalsContact O-N 3.08Å; I306-N349 WeakPolarHBondContact CD1-ND2 3.42Å; I306-N349 WeakPolarHBondContact CG1-ND2 3.45Å; I306-L351 HydrophobicContact CG2-CD2 4.4Å; I306-T352 HydrophobicContact CG1-CG2 4.14Å; I306-T352 HydrophobicContact CG2-CG2 3.86Å; I306-I374 HydrophobicContact CD1-CD1 3.66Å; I306-I374 HydrophobicContact CD1-CG2 4.02Å; I306-L426 HydrophobicContact CG2-CD1 4.13Å; I306-L426 HydrophobicContact CG2-CD2 3.99Å
307	Y	97	Very high	96.1	Very high	37 Å²	37	15 Å²	15	15%	0.145	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-67.6	-16.6	176	-81.4	-92.7	0	0	0	113.7	A305 A309 T352 Q354 S411 F414 L426	A305-Y307 PolarHBondContact O-N 3.39Å; Y307-A309 VanDerWaalsContact C-N 3.31Å; Y307-T352 HydrophobicContact CD1-CG2 4.14Å; Y307-T352 HydrophobicContact CD2-CG2 3.91Å; Y307-T352 HydrophobicContact CE1-CG2 3.98Å; Y307-T352 HydrophobicContact CE2-CG2 3.73Å; Y307-T352 HydrophobicContact CG-CG2 4.11Å; Y307-Q354 PolarHBondContact O-NE2 3.29Å; Y307-Q354 PolarHBondContact O-OE1 2.93Å; Y307-S411 WeakPolarHBondContact CE2-O 3.38Å; Y307-F414 AromaticContact CE2-CD2 3.89Å; Y307-F414 HydrophobicContact CE2-CD2 3.89Å; Y307-F414 HydrophobicContact CE2-CE2 4.21Å; Y307-L426 HydrophobicContact CE2-CD2 4.21Å
308	G	96.9	Very high	96	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-88.7	3.8	173.6	0	0	0	0	0	113.3	A305 I306 S310	A305-G308 PolarHBondContact O-N 2.84Å; I306-G308 PolarHBondContact O-N 3.12Å; G308-S310 PolarHBondContact O-N 3.21Å
309	A	97.7	Very high	95.9	Very high	10 Å²	10	15.1 Å²	15.1	8%	0.083	8%	0.079	C	C	.	.			trans	-60	128.8	176.9	0	0	0	0	0	110.5	I306 Y307 I356 I374 G375 I376	I306-A309 HydrophobicContact CD1-CB 4.28Å; I306-A309 WeakPolarHBondContact O-CB 3.28Å; I306-A309 PolarHBondContact O-N 2.98Å; I306-A309 VanDerWaalsContact O-N 3.08Å; Y307-A309 VanDerWaalsContact C-N 3.31Å; A309-I356 HydrophobicContact CB-CD1 4.04Å; A309-I356 WeakPolarHBondContact O-CG2 3.33Å; A309-I374 HydrophobicContact CB-CG2 3.63Å; A309-G375 WeakPolarHBondContact CA-O 3.41Å; A309-I376 HydrophobicContact CB-CG1 4.35Å
310	S	97.8	Very high	95.8	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.028	8%	0.078	C	C	.	.			trans	-114.1	-23.1	-179.1	71.7	0	0	0	0	113.5	G308 P357 G375 P377 I392	G308-S310 PolarHBondContact O-N 3.21Å; S310-P357 VanDerWaalsContact O-CD 3.32Å; S310-P357 WeakPolarHBondContact O-CD 3.22Å; S310-G375 PolarHBondContact N-O 3.02Å; S310-P377 VanDerWaalsContact OG-CD 3.24Å; S310-P377 WeakPolarHBondContact OG-CD 3.18Å; S310-P377 WeakPolarHBondContact OG-CG 3.22Å; S310-I392 WeakPolarHBondContact O-CG2 3.4Å
311	H	98.1	Very high	95.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	162.1	177	56.5	-73	0	0	0	111	Y313 P357 V359 G375 I392	H311-Y313 AromaticContact CD2-CD2 3.95Å; H311-Y313 AromaticContact CD2-CE1 3.9Å; H311-Y313 AromaticContact CD2-CE2 3.65Å; H311-Y313 AromaticContact CD2-CZ 3.65Å; H311-Y313 AromaticContact NE2-CD2 3.86Å; H311-Y313 AromaticContact NE2-CE1 3.56Å; H311-Y313 AromaticContact NE2-CE2 3.08Å; H311-Y313 WeakPolarHBondContact NE2-CE2 3.09Å; H311-Y313 AromaticContact NE2-CZ 2.92Å; H311-Y313 PolarHBondContact NE2-OH 3.22Å; H311-P357 VanDerWaalsContact CA-O 3.28Å; H311-P357 WeakPolarHBondContact CA-O 3.49Å; H311-P357 HydrophobicContact CB-CG 4.18Å; H311-P357 WeakPolarHBondContact CB-O 3.45Å; H311-V359 HydrophobicContact CB-CG2 3.92Å; H311-G375 PolarHBondContact O-N 2.93Å; H311-I392 HydrophobicContact CB-CD1 4.11Å
312	L	97.6	Very high	95.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.1	164.1	-68.4	-173.9	0	0	0	110.1	F283 A298 A347 I356 P357 I358 V359 I374	F283-L312 HydrophobicContact CB-CD1 4Å; F283-L312 HydrophobicContact CD1-CD1 3.75Å; F283-L312 HydrophobicContact CD1-CD2 4.28Å; F283-L312 HydrophobicContact CD1-CG 4.25Å; F283-L312 HydrophobicContact CD2-CD1 3.96Å; F283-L312 HydrophobicContact CD2-CD2 4.27Å; F283-L312 HydrophobicContact CE1-CD1 4.2Å; F283-L312 HydrophobicContact CE1-CD2 3.87Å; F283-L312 HydrophobicContact CE1-CG 4.23Å; F283-L312 HydrophobicContact CE2-CD1 4.43Å; F283-L312 HydrophobicContact CE2-CD2 3.91Å; F283-L312 HydrophobicContact CG-CD1 3.64Å; F283-L312 HydrophobicContact CG-CD2 4.49Å; F283-L312 HydrophobicContact CZ-CD2 3.71Å; A298-L312 HydrophobicContact CB-CD1 4.46Å; A298-L312 HydrophobicContact CB-CD2 3.67Å; L312-A347 HydrophobicContact CD1-CB 3.4Å; L312-A347 HydrophobicContact CG-CB 4.15Å; L312-I356 HydrophobicContact CD2-CD1 3.99Å; L312-I356 HydrophobicContact CG-CD1 3.9Å; L312-I356 HydrophobicContact CG-CG1 4.29Å; L312-P357 PolarHBondContact N-O 2.88Å; L312-I358 HydrophobicContact CB-CG1 4.29Å; L312-I358 CarbonylContact O-C 3.54Å; L312-I358 WeakPolarHBondContact O-CA 3.24Å; L312-V359 PolarHBondContact O-N 3Å; L312-I374 HydrophobicContact CD2-CB 4.17Å; L312-I374 HydrophobicContact CD2-CG1 3.76Å; L312-I374 HydrophobicContact CD2-CG2 4.22Å
313	Y	97.4	Very high	95.1	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.016	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140	167.3	-68.2	-80.7	0	0	0	111.2	H311 V359 F366 T372 K373 D383 V386	H311-Y313 AromaticContact CD2-CD2 3.95Å; H311-Y313 AromaticContact CD2-CE1 3.9Å; H311-Y313 AromaticContact CD2-CE2 3.65Å; H311-Y313 AromaticContact CD2-CZ 3.65Å; H311-Y313 AromaticContact NE2-CD2 3.86Å; H311-Y313 AromaticContact NE2-CE1 3.56Å; H311-Y313 AromaticContact NE2-CE2 3.08Å; H311-Y313 WeakPolarHBondContact NE2-CE2 3.09Å; H311-Y313 AromaticContact NE2-CZ 2.92Å; H311-Y313 PolarHBondContact NE2-OH 3.22Å; Y313-V359 WeakPolarHBondContact CA-O 3.18Å; Y313-V359 HydrophobicContact CD1-CB 4.42Å; Y313-V359 HydrophobicContact CD1-CG1 4.33Å; Y313-V359 HydrophobicContact CE1-CG1 4.41Å; Y313-F366 HydrophobicContact CG-CZ 4.27Å; Y313-T372 VanDerWaalsContact O-CA 3.27Å; Y313-T372 WeakPolarHBondContact O-CA 3.41Å; Y313-T372 WeakPolarHBondContact O-CG2 3.26Å; Y313-K373 HydrophobicContact CD2-CB 4.34Å; Y313-K373 HydrophobicContact CD2-CD 4.39Å; Y313-K373 HydrophobicContact CD2-CG 4.42Å; Y313-K373 PolarHBondContact N-O 3.1Å; Y313-K373 PolarHBondContact O-N 3.18Å; Y313-K373 VanDerWaalsContact O-N 3.13Å; Y313-D383 VanDerWaalsContact CE2-OD1 3.25Å; Y313-D383 WeakPolarHBondContact CE2-OD1 3.27Å; Y313-D383 PolarHBondContact OH-OD1 3.27Å; Y313-V386 HydrophobicContact CE1-CB 4.49Å; Y313-V386 HydrophobicContact CE1-CG1 3.99Å; Y313-V386 HydrophobicContact CE1-CG2 4.32Å; Y313-V386 WeakPolarHBondContact OH-CB 3.47Å; Y313-V386 VanDerWaalsContact OH-CG2 3.29Å; Y313-V386 WeakPolarHBondContact OH-CG2 3.23Å
314	I	96.8	Very high	94.7	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.3	159.3	61.5	174.6	0	0	0	110	H318 L320 L321 F331 I358 V359 I360 S361 D371 T372	I314-H318 HydrophobicContact CB-CB 4.02Å; I314-L320 HydrophobicContact CD1-CB 4.5Å; I314-L320 HydrophobicContact CD1-CD1 4.25Å; I314-L321 HydrophobicContact CD1-CD1 3.71Å; I314-F331 HydrophobicContact CD1-CD1 3.86Å; I314-F331 HydrophobicContact CD1-CE1 3.67Å; I314-F331 HydrophobicContact CD1-CG 4.5Å; I314-F331 HydrophobicContact CD1-CZ 4.15Å; I314-I358 HydrophobicContact CD1-CG2 3.89Å; I314-I358 HydrophobicContact CG1-CG2 3.86Å; I314-I358 HydrophobicContact CG2-CG2 4.2Å; I314-V359 PolarHBondContact N-O 2.97Å; I314-I360 HydrophobicContact CD1-CG1 4.14Å; I314-I360 HydrophobicContact CG1-CB 4.5Å; I314-I360 HydrophobicContact CG1-CG1 4.09Å; I314-I360 WeakPolarHBondContact O-CA 3.38Å; I314-S361 PolarHBondContact O-N 3Å; I314-D371 WeakPolarHBondContact CA-O 3.31Å; I314-T372 HydrophobicContact CG2-CG2 4.18Å
315	L	94.9	Very high	94.4	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.058	12%	0.115	C	C	.	.			trans	-71.7	155.6	173.1	-71.3	-179.2	0	0	0	112.2	A317 H318 F366 L370 D371	L315-A317 PolarHBondContact O-N 3.47Å; L315-H318 WeakPolarHBondContact O-CB 3.29Å; L315-H318 PolarHBondContact O-N 2.78Å; L315-F366 HydrophobicContact CD1-CD2 4.22Å; L315-F366 HydrophobicContact CD2-CD1 3.87Å; L315-F366 HydrophobicContact CD2-CD2 3.7Å; L315-F366 HydrophobicContact CD2-CE1 3.71Å; L315-F366 HydrophobicContact CD2-CE2 3.54Å; L315-F366 HydrophobicContact CD2-CG 3.82Å; L315-F366 HydrophobicContact CD2-CZ 3.5Å; L315-F366 VanDerWaalsContact CD2-CZ 3.5Å; L315-F366 HydrophobicContact CG-CD2 3.72Å; L315-F366 HydrophobicContact CG-CE2 3.57Å; L315-F366 HydrophobicContact CG-CG 4.3Å; L315-F366 HydrophobicContact CG-CZ 4.02Å; L315-L370 WeakPolarHBondContact CD1-O 3.4Å; L315-D371 HydrophobicContact CD1-CB 4.33Å; L315-D371 PolarHBondContact N-O 3.15Å
316	P	94.4	Very high	94.2	Very high	21 Å²	21	25.4 Å²	25.4	14%	0.136	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-39.7	168.9	-29.6	37.6	0	0	0	112.7	H318 H322 F335 I360 S361 K363	P316-H318 PolarHBondContact O-N 3Å; P316-H322 PolarHBondContact O-CD2 2.9Å; P316-H322 VanDerWaalsContact O-CD2 3.3Å; P316-H322 PolarHBondContact O-NE2 3.31Å; P316-F335 HydrophobicContact CB-CE1 4.3Å; P316-F335 HydrophobicContact CB-CE2 3.84Å; P316-F335 HydrophobicContact CB-CZ 3.56Å; P316-F335 HydrophobicContact CG-CE2 3.8Å; P316-F335 HydrophobicContact CG-CZ 3.88Å; P316-I360 HydrophobicContact CG-CG2 4.4Å; P316-S361 WeakPolarHBondContact CG-O 3.22Å; P316-K363 VanDerWaalsContact CD-O 3.22Å; P316-K363 WeakPolarHBondContact CD-O 3.35Å
317	A	90.8	Very high	94	Very high	51 Å²	51	25.6 Å²	25.6	42%	0.421	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	21.4	177.4	0	0	0	0	0	113.2	Y237 L315	Y237-A317 PolarHBondContact OH-O 3.11Å; L315-A317 PolarHBondContact O-N 3.47Å
318	H	92.9	Very high	93.8	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.023	15%	0.152	C	C	.	.			trans	-76.8	151.7	-179	-174.1	-106.7	0	0	0	112	I314 L315 P316 L320 L321 H322 D371 T372	I314-H318 HydrophobicContact CB-CB 4.02Å; L315-H318 WeakPolarHBondContact O-CB 3.29Å; L315-H318 PolarHBondContact O-N 2.78Å; P316-H318 PolarHBondContact O-N 3Å; H318-L320 VanDerWaalsContact CE1-CG 3.44Å; H318-L320 WeakPolarHBondContact CE1-CG 3.48Å; H318-L320 WeakPolarHBondContact ND1-CB 3.41Å; H318-L320 WeakPolarHBondContact ND1-CG 3.43Å; H318-L320 PolarHBondContact ND1-N 3.12Å; H318-L320 PolarHBondContact O-N 2.85Å; H318-L321 HydrophobicContact CB-CD1 4.09Å; H318-L321 PolarHBondContact O-N 2.89Å; H318-H322 PolarHBondContact O-N 2.91Å; H318-D371 IonicContact CD2-OD2 3.13Å; H318-T372 PolarHBondContact NE2-OG1 3.38Å
319	R	92.6	Very high	93.7	Very high	49 Å²	49	34.5 Å²	34.5	19%	0.185	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-26.8	-179.5	69	166.2	-171.2	80.4	3.3	113.7	E202 Y237 E294 K295 L321 H322 G323	E202-R319 WeakPolarHBondContact O-CD 3.33Å; Y237-R319 HydrophobicContact CD1-CB 4.33Å; Y237-R319 HydrophobicContact CE1-CB 4Å; E294-R319 IonicContact OE2-NH1 3.41Å; E294-R319 PolarHBondContact OE2-NH1 2.87Å; K295-R319 PolarHBondContact O-NH2 2.91Å; R319-L321 PolarHBondContact O-N 3.1Å; R319-H322 PolarHBondContact O-N 2.85Å; R319-G323 VanDerWaalsContact O-CA 3.26Å; R319-G323 WeakPolarHBondContact O-CA 3.24Å; R319-G323 PolarHBondContact O-N 3.22Å
320	L	93.6	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.3	-24.1	178	-68.3	172.5	0	0	0	112.4	L285 E294 V296 I314 H318 S325 K328 F331	L285-L320 HydrophobicContact CD1-CD1 3.93Å; L285-L320 HydrophobicContact CD1-CD2 4.04Å; E294-L320 WeakPolarHBondContact OE2-CD2 3.28Å; V296-L320 HydrophobicContact CG2-CD1 3.82Å; I314-L320 HydrophobicContact CD1-CB 4.5Å; I314-L320 HydrophobicContact CD1-CD1 4.25Å; H318-L320 VanDerWaalsContact CE1-CG 3.44Å; H318-L320 WeakPolarHBondContact CE1-CG 3.48Å; H318-L320 WeakPolarHBondContact ND1-CB 3.41Å; H318-L320 WeakPolarHBondContact ND1-CG 3.43Å; H318-L320 PolarHBondContact ND1-N 3.12Å; H318-L320 PolarHBondContact O-N 2.85Å; L320-S325 VanDerWaalsContact CD2-OG 3.29Å; L320-S325 WeakPolarHBondContact CD2-OG 3.41Å; L320-K328 VanDerWaalsContact O-CA 3.26Å; L320-K328 WeakPolarHBondContact O-CA 3.28Å; L320-F331 HydrophobicContact CB-CD2 3.79Å; L320-F331 HydrophobicContact CB-CE2 3.8Å; L320-F331 HydrophobicContact CD1-CE2 3.73Å; L320-F331 HydrophobicContact CD1-CZ 3.9Å; L320-F331 HydrophobicContact CD2-CE2 4.43Å; L320-F331 HydrophobicContact CG-CE2 4.19Å
321	L	93.8	Very high	93.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-93.4	-30.1	177.1	-70.6	88.8	0	0	0	112.7	I314 H318 R319 K328 F331 Q332 F335 I360	I314-L321 HydrophobicContact CD1-CD1 3.71Å; H318-L321 HydrophobicContact CB-CD1 4.09Å; H318-L321 PolarHBondContact O-N 2.89Å; R319-L321 PolarHBondContact O-N 3.1Å; L321-K328 WeakPolarHBondContact O-CE 3.08Å; L321-K328 WeakPolarHBondContact O-CG 3.25Å; L321-F331 HydrophobicContact CD1-CB 4.29Å; L321-F331 HydrophobicContact CG-CB 3.85Å; L321-Q332 PolarHBondContact O-NE2 3.48Å; L321-F335 HydrophobicContact CD2-CB 4.1Å; L321-F335 HydrophobicContact CD2-CD1 4.36Å; L321-F335 HydrophobicContact CD2-CG 4.08Å; L321-I360 HydrophobicContact CD2-CD1 4.27Å
322	H	91.8	Very high	93.3	Very high	88 Å²	88	39.5 Å²	39.5	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-121.2	-26.4	-167.1	-64	-66.2	0	0	0	114.6	Y237 P316 H318 R319 K328	Y237-H322 HydrophobicContact CD2-CB 4.12Å; Y237-H322 HydrophobicContact CE2-CB 3.38Å; P316-H322 PolarHBondContact O-CD2 2.9Å; P316-H322 VanDerWaalsContact O-CD2 3.3Å; P316-H322 PolarHBondContact O-NE2 3.31Å; H318-H322 PolarHBondContact O-N 2.91Å; R319-H322 PolarHBondContact O-N 2.85Å; H322-K328 PolarHBondContact O-NZ 3.3Å
323	G	87.5	Confident	93.2	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.021	24%	0.242	C	C	.	.	S	Bend	trans	-80.9	-156.1	178.6	0	0	0	0	0	114	E202 R319 S325 K328	E202-G323 VanDerWaalsContact OE2-CA 3.25Å; E202-G323 WeakPolarHBondContact OE2-CA 3.23Å; R319-G323 VanDerWaalsContact O-CA 3.26Å; R319-G323 WeakPolarHBondContact O-CA 3.24Å; R319-G323 PolarHBondContact O-N 3.22Å; G323-S325 PolarHBondContact O-N 2.81Å; G323-K328 WeakPolarHBondContact O-CD 3.14Å; G323-K328 PolarHBondContact O-NZ 3.17Å
324	N	87.4	Confident	93.1	Very high	143 Å²	143	49.7 Å²	49.7	77%	0.765	25%	0.251	S	S	*	.	S	Bend	trans	-97.4	68.5	179	-67.7	-50.9	0	0	0	110.3	E202	E202-N324 WeakPolarHBondContact OE1-CB 3.42Å; E202-N324 PolarHBondContact OE1-N 3.43Å; E202-N324 PolarHBondContact OE1-ND2 2.69Å; E202-N324 PolarHBondContact OE2-N 3.27Å
325	S	90.6	Very high	93.1	Very high	14 Å²	14	52.4 Å²	52.4	10%	0.098	26%	0.262	C	S	.	.			trans	-107.1	143.4	174.2	178.4	0	0	0	0	111.2	E294 L320 G323 L327 K328	E294-S325 VanDerWaalsContact CD-OG 3.25Å; E294-S325 PolarHBondContact OE1-OG 3.08Å; E294-S325 PolarHBondContact OE2-OG 3.5Å; L320-S325 VanDerWaalsContact CD2-OG 3.29Å; L320-S325 WeakPolarHBondContact CD2-OG 3.41Å; G323-S325 PolarHBondContact O-N 2.81Å; S325-L327 PolarHBondContact O-N 3.32Å; S325-L327 PolarHBondContact OG-N 2.91Å; S325-L327 VanDerWaalsContact OG-N 3.09Å; S325-K328 WeakPolarHBondContact O-CB 3.4Å; S325-K328 PolarHBondContact O-N 3.08Å
326	S	90.9	Very high	93	Very high	90 Å²	90	56.6 Å²	56.6	63%	0.629	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.4	170.5	65.4	0	0	0	0	112.6	E294	E294-S326 WeakPolarHBondContact OE1-CB 3.41Å; E294-S326 PolarHBondContact OE1-N 2.97Å; E294-S326 PolarHBondContact OE1-OG 3.28Å
327	L	92.9	Very high	93	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.6	-178.6	-59.9	173.3	0	0	0	113.5	L285 V287 T292 S325 E329 V330 F331 V345	L285-L327 HydrophobicContact CB-CD1 4.04Å; L285-L327 HydrophobicContact CD1-CD1 3.58Å; L285-L327 HydrophobicContact CG-CD1 4.48Å; V287-L327 HydrophobicContact CB-CD2 3.98Å; V287-L327 HydrophobicContact CG1-CD2 4.11Å; V287-L327 HydrophobicContact CG2-CD2 4.43Å; T292-L327 HydrophobicContact CG2-CD1 4.15Å; T292-L327 HydrophobicContact CG2-CD2 3.81Å; T292-L327 HydrophobicContact CG2-CG 4.35Å; S325-L327 PolarHBondContact O-N 3.32Å; S325-L327 PolarHBondContact OG-N 2.91Å; S325-L327 VanDerWaalsContact OG-N 3.09Å; L327-E329 PolarHBondContact O-N 3.37Å; L327-V330 WeakPolarHBondContact O-CB 3.27Å; L327-V330 PolarHBondContact O-N 3.36Å; L327-V330 VanDerWaalsContact O-N 3.11Å; L327-F331 HydrophobicContact CB-CD2 3.72Å; L327-F331 HydrophobicContact CB-CE2 3.61Å; L327-F331 HydrophobicContact CD1-CE2 4.01Å; L327-F331 HydrophobicContact CG-CE2 4.46Å; L327-F331 VanDerWaalsContact O-CD2 3.3Å; L327-F331 WeakPolarHBondContact O-CD2 3.5Å; L327-F331 PolarHBondContact O-N 3Å; L327-V345 HydrophobicContact CD1-CG1 3.97Å
328	K	94.4	Very high	93	Very high	63 Å²	63	64 Å²	64	27%	0.274	32%	0.323	S	S	.	.	H	α-helix	trans	-52.7	-51.3	-174.3	-175.7	178.2	-167.5	156.7	0	113.5	L320 L321 H322 G323 S325 V330 F331 Q332	L320-K328 VanDerWaalsContact O-CA 3.26Å; L320-K328 WeakPolarHBondContact O-CA 3.28Å; L321-K328 WeakPolarHBondContact O-CE 3.08Å; L321-K328 WeakPolarHBondContact O-CG 3.25Å; H322-K328 PolarHBondContact O-NZ 3.3Å; G323-K328 WeakPolarHBondContact O-CD 3.14Å; G323-K328 PolarHBondContact O-NZ 3.17Å; S325-K328 WeakPolarHBondContact O-CB 3.4Å; S325-K328 PolarHBondContact O-N 3.08Å; K328-V330 VanDerWaalsContact C-N 3.29Å; K328-V330 PolarHBondContact O-N 3.28Å; K328-F331 PolarHBondContact O-N 3.35Å; K328-Q332 HydrophobicContact CG-CG 4.36Å; K328-Q332 WeakPolarHBondContact O-CB 3.24Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.48Å; K328-Q332 PolarHBondContact O-N 2.8Å
329	E	94.4	Very high	93.1	Very high	162 Å²	162	70.3 Å²	70.3	76%	0.757	35%	0.35	S	S	*	.	H	α-helix	trans	-64.3	-35.6	-178.2	-64.2	-179.6	178.8	0	0	112.1	L327 R333	L327-E329 PolarHBondContact O-N 3.37Å; E329-R333 VanDerWaalsContact O-CB 3.26Å; E329-R333 WeakPolarHBondContact O-CB 3.31Å; E329-R333 PolarHBondContact O-N 2.54Å; E329-R333 VanDerWaalsContact O-N 3.08Å
330	V	94.1	Very high	93.3	Very high	26 Å²	26	70.3 Å²	70.3	16%	0.158	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-52.5	177.9	-179.5	0	0	0	0	109.8	V287 L327 K328 Q332 R333 E334 S344 V345	V287-V330 HydrophobicContact CG2-CG1 4.45Å; L327-V330 WeakPolarHBondContact O-CB 3.27Å; L327-V330 PolarHBondContact O-N 3.36Å; L327-V330 VanDerWaalsContact O-N 3.11Å; K328-V330 VanDerWaalsContact C-N 3.29Å; K328-V330 PolarHBondContact O-N 3.28Å; V330-Q332 PolarHBondContact O-N 3.06Å; V330-R333 PolarHBondContact O-N 3.42Å; V330-E334 WeakPolarHBondContact O-CB 3.25Å; V330-E334 WeakPolarHBondContact O-CG 3.29Å; V330-E334 PolarHBondContact O-N 2.67Å; V330-S344 WeakPolarHBondContact CG1-OG 3.46Å; V330-V345 HydrophobicContact CG1-CG2 3.84Å
331	F	95.4	Very high	93.4	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-41.2	179.8	-74.6	-69.1	0	0	0	112.7	I314 L320 L321 L327 K328 R333 E334 F335 T343 V345 I358 I360	I314-F331 HydrophobicContact CD1-CD1 3.86Å; I314-F331 HydrophobicContact CD1-CE1 3.67Å; I314-F331 HydrophobicContact CD1-CG 4.5Å; I314-F331 HydrophobicContact CD1-CZ 4.15Å; L320-F331 HydrophobicContact CB-CD2 3.79Å; L320-F331 HydrophobicContact CB-CE2 3.8Å; L320-F331 HydrophobicContact CD1-CE2 3.73Å; L320-F331 HydrophobicContact CD1-CZ 3.9Å; L320-F331 HydrophobicContact CD2-CE2 4.43Å; L320-F331 HydrophobicContact CG-CE2 4.19Å; L321-F331 HydrophobicContact CD1-CB 4.29Å; L321-F331 HydrophobicContact CG-CB 3.85Å; L327-F331 HydrophobicContact CB-CD2 3.72Å; L327-F331 HydrophobicContact CB-CE2 3.61Å; L327-F331 HydrophobicContact CD1-CE2 4.01Å; L327-F331 HydrophobicContact CG-CE2 4.46Å; L327-F331 VanDerWaalsContact O-CD2 3.3Å; L327-F331 WeakPolarHBondContact O-CD2 3.5Å; L327-F331 PolarHBondContact O-N 3Å; K328-F331 PolarHBondContact O-N 3.35Å; F331-R333 PolarHBondContact O-N 2.79Å; F331-E334 PolarHBondContact O-N 2.82Å; F331-F335 VanDerWaalsContact O-CB 3.32Å; F331-F335 WeakPolarHBondContact O-CB 3.36Å; F331-F335 PolarHBondContact O-N 3.36Å; F331-T343 HydrophobicContact CD1-CG2 3.86Å; F331-T343 HydrophobicContact CE1-CG2 3.92Å; F331-V345 HydrophobicContact CE1-CB 4.06Å; F331-V345 HydrophobicContact CE1-CG2 4.06Å; F331-V345 HydrophobicContact CE2-CB 4.41Å; F331-V345 HydrophobicContact CE2-CG1 4.29Å; F331-V345 HydrophobicContact CE2-CG2 4Å; F331-V345 HydrophobicContact CZ-CB 3.71Å; F331-V345 HydrophobicContact CZ-CG1 3.75Å; F331-V345 HydrophobicContact CZ-CG2 3.72Å; F331-I358 HydrophobicContact CE1-CB 4.27Å; F331-I358 HydrophobicContact CE1-CG2 3.79Å; F331-I358 HydrophobicContact CZ-CD1 4.02Å; F331-I358 HydrophobicContact CZ-CG2 4.25Å; F331-I360 HydrophobicContact CB-CD1 4.49Å; F331-I360 HydrophobicContact CD1-CD1 4.11Å; F331-I360 HydrophobicContact CD1-CG1 4.22Å
332	Q	95.4	Very high	93.5	Very high	92 Å²	92	74.5 Å²	74.5	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-38.8	179	-75.5	-176.1	-13	0	0	112.7	L321 K328 V330 E334	L321-Q332 PolarHBondContact O-NE2 3.48Å; K328-Q332 HydrophobicContact CG-CG 4.36Å; K328-Q332 WeakPolarHBondContact O-CB 3.24Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.48Å; K328-Q332 PolarHBondContact O-N 2.8Å; V330-Q332 PolarHBondContact O-N 3.06Å; Q332-E334 VanDerWaalsContact C-N 3.33Å
333	R	95.9	Very high	93.7	Very high	178 Å²	178	70.8 Å²	70.8	67%	0.672	36%	0.36	S	S	*	.	H	α-helix	trans	-68.3	-34.9	178	-177.5	-175.5	64.8	-150.9	-4.4	112.3	E329 V330 F331	E329-R333 VanDerWaalsContact O-CB 3.26Å; E329-R333 WeakPolarHBondContact O-CB 3.31Å; E329-R333 PolarHBondContact O-N 2.54Å; E329-R333 VanDerWaalsContact O-N 3.08Å; V330-R333 PolarHBondContact O-N 3.42Å; F331-R333 PolarHBondContact O-N 2.79Å
334	E	94.7	Very high	94	Very high	42 Å²	42	72.8 Å²	72.8	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-90.9	-7.7	-175.9	-67.4	171.2	-166.3	0	0	112.7	V330 F331 Q332 C341 T343 S344	V330-E334 WeakPolarHBondContact O-CB 3.25Å; V330-E334 WeakPolarHBondContact O-CG 3.29Å; V330-E334 PolarHBondContact O-N 2.67Å; F331-E334 PolarHBondContact O-N 2.82Å; Q332-E334 VanDerWaalsContact C-N 3.33Å; E334-C341 WeakPolarHBondContact O-CB 3.04Å; E334-T343 WeakPolarHBondContact OE2-CA 3.18Å; E334-T343 VanDerWaalsContact OE2-CB 3.31Å; E334-T343 WeakPolarHBondContact OE2-CB 3.47Å; E334-S344 WeakPolarHBondContact OE1-CB 3.49Å; E334-S344 PolarHBondContact OE1-OG 3.48Å; E334-S344 PolarHBondContact OE2-N 3.43Å; E334-S344 PolarHBondContact OE2-OG 3.16Å
335	F	96.3	Very high	94.5	Very high	57 Å²	57	66 Å²	66	25%	0.25	34%	0.337	C	S	.	.			trans	-77.9	127.3	176.6	179.1	-126.1	0	0	0	112.2	P316 L321 F331 Q337 I360	P316-F335 HydrophobicContact CB-CE1 4.3Å; P316-F335 HydrophobicContact CB-CE2 3.84Å; P316-F335 HydrophobicContact CB-CZ 3.56Å; P316-F335 HydrophobicContact CG-CE2 3.8Å; P316-F335 HydrophobicContact CG-CZ 3.88Å; L321-F335 HydrophobicContact CD2-CB 4.1Å; L321-F335 HydrophobicContact CD2-CD1 4.36Å; L321-F335 HydrophobicContact CD2-CG 4.08Å; F331-F335 VanDerWaalsContact O-CB 3.32Å; F331-F335 WeakPolarHBondContact O-CB 3.36Å; F331-F335 PolarHBondContact O-N 3.36Å; F335-Q337 HydrophobicContact CE1-CB 4.42Å; F335-Q337 HydrophobicContact CZ-CB 4.26Å; F335-I360 HydrophobicContact CB-CD1 3.79Å; F335-I360 HydrophobicContact CD2-CB 4.21Å; F335-I360 HydrophobicContact CD2-CD1 4.16Å; F335-I360 HydrophobicContact CD2-CG2 3.5Å; F335-I360 HydrophobicContact CE2-CG2 3.81Å; F335-I360 HydrophobicContact CG-CD1 4.4Å; F335-I360 HydrophobicContact CG-CG2 4.48Å
336	I	94.2	Very high	94.8	Very high	100 Å²	100	66.7 Å²	66.7	51%	0.513	34%	0.341	S	S	.	.			trans	-122.5	118.7	171.6	-55.2	174.6	0	0	0	108.1	G338 K339 C341	I336-G338 PolarHBondContact O-N 3.19Å; I336-K339 HydrophobicContact CG2-CD 4.38Å; I336-K339 PolarHBondContact O-N 3Å; I336-C341 PolarHBondContact N-SG 3.19Å
337	Q	92.6	Very high	95.1	Very high	173 Å²	173	62.4 Å²	62.4	81%	0.808	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	131.5	-176.3	-171.8	174.4	6.4	0	0	112	F335 K339	F335-Q337 HydrophobicContact CE1-CB 4.42Å; F335-Q337 HydrophobicContact CZ-CB 4.26Å; Q337-K339 VanDerWaalsContact C-N 3.34Å
338	G	92.1	Very high	95.3	Very high	54 Å²	54	63.1 Å²	63.1	56%	0.557	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	10.9	175.9	0	0	0	0	0	115.2	I336	I336-G338 PolarHBondContact O-N 3.19Å
339	K	94.1	Very high	95.4	Very high	138 Å²	138	60.2 Å²	60.2	60%	0.6	30%	0.303	S	S	*	.	S	Bend	trans	-131.8	147.2	174.9	-66.6	-173	178.1	-177.6	0	111	I336 Q337 C341	I336-K339 HydrophobicContact CG2-CD 4.38Å; I336-K339 PolarHBondContact O-N 3Å; Q337-K339 VanDerWaalsContact C-N 3.34Å; K339-C341 PolarHBondContact O-N 3.26Å; K339-C341 PolarHBondContact O-SG 2.93Å
340	D	96.9	Very high	95.5	Very high	49 Å²	49	54.5 Å²	54.5	26%	0.262	28%	0.277	S	S	.	.			trans	-69.6	124.3	170.6	-62.8	-53.7	0	0	0	108.1	V359 I360 S361 A362 V386 L390	D340-V359 HydrophobicContact CB-CG1 4.03Å; D340-I360 WeakPolarHBondContact CA-O 3.37Å; D340-S361 WeakPolarHBondContact OD1-CA 3.43Å; D340-A362 PolarHBondContact OD1-N 3.13Å; D340-V386 HydrophobicContact CB-CG1 4.45Å; D340-L390 HydrophobicContact CB-CD1 4.19Å
341	C	96.4	Very high	95.5	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	110.8	-173.5	-59.5	0	0	0	0	110	E334 I336 K339 T343 V359 I360	E334-C341 WeakPolarHBondContact O-CB 3.04Å; I336-C341 PolarHBondContact N-SG 3.19Å; K339-C341 PolarHBondContact O-N 3.26Å; K339-C341 PolarHBondContact O-SG 2.93Å; C341-T343 PolarHBondContact O-N 3.12Å; C341-V359 CarbonylContact O-C 3.6Å; C341-V359 VanDerWaalsContact O-CA 3.32Å; C341-V359 WeakPolarHBondContact O-CA 3.26Å; C341-I360 HydrophobicContact CB-CB 4.21Å; C341-I360 HydrophobicContact CB-CD1 4.47Å; C341-I360 PolarHBondContact N-O 3.41Å; C341-I360 PolarHBondContact O-N 2.87Å
342	L	96.4	Very high	95.5	Very high	81 Å²	81	54.2 Å²	54.2	42%	0.424	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.1	168.9	-177.7	65	0	0	0	109.4	P357 V359 L390 I392	L342-P357 HydrophobicContact CD1-CB 3.47Å; L342-P357 VanDerWaalsContact CD1-CB 3.47Å; L342-P357 HydrophobicContact CD1-CG 3.9Å; L342-V359 HydrophobicContact CD1-CG2 4.23Å; L342-L390 HydrophobicContact CB-CD1 4.43Å; L342-L390 HydrophobicContact CB-CD2 4.45Å; L342-I392 HydrophobicContact CD1-CD1 4.03Å; L342-I392 HydrophobicContact CD1-CG1 4.44Å
343	T	95.2	Very high	95.5	Very high	10 Å²	10	55.7 Å²	55.7	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	160.1	-177.2	71.9	0	0	0	0	112	F331 E334 C341 V345 I358 I360	F331-T343 HydrophobicContact CD1-CG2 3.86Å; F331-T343 HydrophobicContact CE1-CG2 3.92Å; E334-T343 WeakPolarHBondContact OE2-CA 3.18Å; E334-T343 VanDerWaalsContact OE2-CB 3.31Å; E334-T343 WeakPolarHBondContact OE2-CB 3.47Å; C341-T343 PolarHBondContact O-N 3.12Å; T343-V345 PolarHBondContact O-N 2.86Å; T343-V345 PolarHBondContact OG1-N 3.24Å; T343-V345 PolarHBondContact OG1-O 3.14Å; T343-I358 WeakPolarHBondContact CB-O 3.32Å; T343-I358 WeakPolarHBondContact CG2-O 3.42Å; T343-I358 PolarHBondContact N-O 3.03Å; T343-I358 PolarHBondContact OG1-O 2.76Å; T343-I360 HydrophobicContact CG2-CD1 3.81Å; T343-I360 HydrophobicContact CG2-CG1 3.73Å
344	S	93.9	Very high	95.4	Very high	44 Å²	44	50.1 Å²	50.1	31%	0.308	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-4.3	170.5	61.7	0	0	0	0	113.2	V330 E334	V330-S344 WeakPolarHBondContact CG1-OG 3.46Å; E334-S344 WeakPolarHBondContact OE1-CB 3.49Å; E334-S344 PolarHBondContact OE1-OG 3.48Å; E334-S344 PolarHBondContact OE2-N 3.43Å; E334-S344 PolarHBondContact OE2-OG 3.16Å
345	V	96.6	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.8	177.4	-172.8	0	0	0	0	109.4	L285 K286 V287 L327 V330 F331 T343 I358	L285-V345 HydrophobicContact CB-CG1 4.49Å; K286-V345 WeakPolarHBondContact O-CA 3.28Å; K286-V345 VanDerWaalsContact O-CG1 3.25Å; K286-V345 WeakPolarHBondContact O-CG1 3.37Å; V287-V345 HydrophobicContact CG2-CG2 4.22Å; L327-V345 HydrophobicContact CD1-CG1 3.97Å; V330-V345 HydrophobicContact CG1-CG2 3.84Å; F331-V345 HydrophobicContact CE1-CB 4.06Å; F331-V345 HydrophobicContact CE1-CG2 4.06Å; F331-V345 HydrophobicContact CE2-CB 4.41Å; F331-V345 HydrophobicContact CE2-CG1 4.29Å; F331-V345 HydrophobicContact CE2-CG2 4Å; F331-V345 HydrophobicContact CZ-CB 3.71Å; F331-V345 HydrophobicContact CZ-CG1 3.75Å; F331-V345 HydrophobicContact CZ-CG2 3.72Å; T343-V345 PolarHBondContact O-N 2.86Å; T343-V345 PolarHBondContact OG1-N 3.24Å; T343-V345 PolarHBondContact OG1-O 3.14Å; V345-I358 HydrophobicContact CG1-CD1 3.93Å; V345-I358 PolarHBondContact O-N 2.65Å
346	T	97.2	Very high	95.5	Very high	29 Å²	29	50 Å²	50	18%	0.178	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	162	173.8	57.5	0	0	0	0	110.5	L285 K286 E355 I356	L285-T346 WeakPolarHBondContact CA-O 3.38Å; K286-T346 WeakPolarHBondContact CB-OG1 3.41Å; K286-T346 PolarHBondContact N-O 3.3Å; K286-T346 PolarHBondContact O-N 2.85Å; T346-E355 WeakPolarHBondContact CB-OE1 3.42Å; T346-E355 HydrophobicContact CG2-CG 4.35Å; T346-E355 PolarHBondContact OG1-OE1 3.43Å; T346-I356 CarbonylContact C-O 3.59Å; T346-I356 WeakPolarHBondContact CA-O 3.29Å
347	A	97.4	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.4	-177.3	0	0	0	0	0	109.3	F283 L285 L312 E355 I356 I358	F283-A347 HydrophobicContact CB-CB 4.01Å; F283-A347 HydrophobicContact CD1-CB 4.02Å; F283-A347 HydrophobicContact CG-CB 4.37Å; L285-A347 HydrophobicContact CD2-CB 4.02Å; L312-A347 HydrophobicContact CD1-CB 3.4Å; L312-A347 HydrophobicContact CG-CB 4.15Å; A347-E355 WeakPolarHBondContact O-CA 3.34Å; A347-I356 PolarHBondContact N-O 2.87Å; A347-I356 PolarHBondContact O-N 3.05Å; A347-I358 HydrophobicContact CB-CD1 4.19Å; A347-I358 HydrophobicContact CB-CG1 4.04Å
348	V	97.6	Very high	95.9	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.115	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.9	176	-176.8	0	0	0	0	109.1	F283 L284 K286 L350 Q354 E355	F283-V348 CarbonylContact C-O 3.55Å; F283-V348 VanDerWaalsContact CA-O 3.23Å; F283-V348 WeakPolarHBondContact CA-O 3.45Å; L284-V348 PolarHBondContact N-O 2.61Å; L284-V348 PolarHBondContact O-N 3.38Å; K286-V348 HydrophobicContact CD-CG2 3.86Å; K286-V348 VanDerWaalsContact CE-CG2 3.49Å; K286-V348 HydrophobicContact CG-CG2 4.37Å; V348-L350 PolarHBondContact O-N 2.76Å; V348-Q354 WeakPolarHBondContact CA-O 3.39Å; V348-E355 HydrophobicContact CG2-CB 4.16Å; V348-E355 HydrophobicContact CG2-CG 4.1Å
349	N	96.6	Very high	96.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.011	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	119.1	173.3	-172.4	-35.1	0	0	0	109.7	F283 I306 L351 T352 N353 Q354	F283-N349 VanDerWaalsContact CD1-CA 3.41Å; F283-N349 HydrophobicContact CD1-CB 3.82Å; F283-N349 HydrophobicContact CE1-CB 3.41Å; F283-N349 VanDerWaalsContact CE1-CB 3.41Å; F283-N349 HydrophobicContact CZ-CB 4.05Å; I306-N349 WeakPolarHBondContact CD1-ND2 3.42Å; I306-N349 WeakPolarHBondContact CG1-ND2 3.45Å; N349-L351 PolarHBondContact O-N 2.75Å; N349-L351 WeakPolarHBondContact OD1-CA 3.25Å; N349-L351 VanDerWaalsContact OD1-CB 3.27Å; N349-L351 WeakPolarHBondContact OD1-CB 3.38Å; N349-L351 PolarHBondContact OD1-N 2.91Å; N349-T352 WeakPolarHBondContact CB-OG1 3.34Å; N349-T352 PolarHBondContact OD1-N 3.22Å; N349-N353 WeakPolarHBondContact O-CA 3.38Å; N349-N353 PolarHBondContact O-N 3.3Å; N349-Q354 PolarHBondContact N-O 3.29Å
350	L	95.9	Very high	96.4	Very high	41 Å²	41	29.3 Å²	29.3	22%	0.215	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.8	-177	-62.4	-179.3	0	0	0	113.7	D282 L284 K295 V348 I435	D282-L350 HydrophobicContact CB-CD1 4.03Å; D282-L350 WeakPolarHBondContact O-CB 3.44Å; D282-L350 WeakPolarHBondContact O-CG 3.41Å; D282-L350 PolarHBondContact O-N 3.19Å; D282-L350 VanDerWaalsContact O-N 3.14Å; L284-L350 HydrophobicContact CB-CD2 3.98Å; K295-L350 HydrophobicContact CD-CD1 4.49Å; V348-L350 PolarHBondContact O-N 2.76Å; L350-I435 HydrophobicContact CB-CB 4.26Å; L350-I435 HydrophobicContact CB-CD1 3.93Å; L350-I435 HydrophobicContact CB-CG2 3.83Å; L350-I435 HydrophobicContact CD1-CG2 3.93Å; L350-I435 WeakPolarHBondContact O-CD1 3.38Å
351	L	95.4	Very high	96.4	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-53.9	174.9	-174	62.7	0	0	0	111.1	L281 I306 N349 L426 Q429 A430 K433 I435	L281-L351 HydrophobicContact CD1-CD2 4.25Å; L281-L351 HydrophobicContact CD2-CD2 4.29Å; I306-L351 HydrophobicContact CG2-CD2 4.4Å; N349-L351 PolarHBondContact O-N 2.75Å; N349-L351 WeakPolarHBondContact OD1-CA 3.25Å; N349-L351 VanDerWaalsContact OD1-CB 3.27Å; N349-L351 WeakPolarHBondContact OD1-CB 3.38Å; N349-L351 PolarHBondContact OD1-N 2.91Å; L351-L426 HydrophobicContact CD2-CD2 3.75Å; L351-L426 HydrophobicContact CG-CD2 4.42Å; L351-Q429 HydrophobicContact CD1-CB 4.2Å; L351-Q429 HydrophobicContact CD1-CG 3.99Å; L351-A430 HydrophobicContact CD1-CB 4.12Å; L351-A430 HydrophobicContact CD2-CB 4.22Å; L351-K433 HydrophobicContact CD1-CD 4.28Å; L351-K433 PolarHBondContact O-NZ 2.84Å; L351-I435 HydrophobicContact CB-CD1 3.7Å; L351-I435 HydrophobicContact CD1-CD1 4.08Å
352	T	95	Very high	96.3	Very high	15 Å²	15	28.1 Å²	28.1	9%	0.092	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-12.9	-171.9	68.6	0	0	0	0	114.2	I306 Y307 N349 Q354	I306-T352 HydrophobicContact CG1-CG2 4.14Å; I306-T352 HydrophobicContact CG2-CG2 3.86Å; Y307-T352 HydrophobicContact CD1-CG2 4.14Å; Y307-T352 HydrophobicContact CD2-CG2 3.91Å; Y307-T352 HydrophobicContact CE1-CG2 3.98Å; Y307-T352 HydrophobicContact CE2-CG2 3.73Å; Y307-T352 HydrophobicContact CG-CG2 4.11Å; N349-T352 WeakPolarHBondContact CB-OG1 3.34Å; N349-T352 PolarHBondContact OD1-N 3.22Å; T352-Q354 PolarHBondContact O-N 2.91Å; T352-Q354 WeakPolarHBondContact OG1-CB 3.34Å; T352-Q354 WeakPolarHBondContact OG1-CG 3.39Å; T352-Q354 PolarHBondContact OG1-N 2.9Å; T352-Q354 PolarHBondContact OG1-OE1 3.46Å; T352-Q354 VanDerWaalsContact OG1-OE1 3.14Å
353	N	94.6	Very high	96.1	Very high	122 Å²	122	28.4 Å²	28.4	65%	0.652	16%	0.155	S	C	*	.			trans	60.4	10.9	-169	-59.8	-46.9	0	0	0	115	N349	N349-N353 WeakPolarHBondContact O-CA 3.38Å; N349-N353 PolarHBondContact O-N 3.3Å
354	Q	95.1	Very high	95.8	Very high	61 Å²	61	32.3 Å²	32.3	29%	0.285	18%	0.181	S	C	.	.			trans	-72	133.6	175.4	-70.3	171.6	-40.1	0	0	110.5	Y307 V348 N349 T352	Y307-Q354 PolarHBondContact O-NE2 3.29Å; Y307-Q354 PolarHBondContact O-OE1 2.93Å; V348-Q354 WeakPolarHBondContact CA-O 3.39Å; N349-Q354 PolarHBondContact N-O 3.29Å; T352-Q354 PolarHBondContact O-N 2.91Å; T352-Q354 WeakPolarHBondContact OG1-CB 3.34Å; T352-Q354 WeakPolarHBondContact OG1-CG 3.39Å; T352-Q354 PolarHBondContact OG1-N 2.9Å; T352-Q354 PolarHBondContact OG1-OE1 3.46Å; T352-Q354 VanDerWaalsContact OG1-OE1 3.14Å
355	E	96.4	Very high	95.5	Very high	87 Å²	87	35.7 Å²	35.7	41%	0.407	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.3	172.5	-174.8	167.7	161.9	0	0	109.4	K286 T346 A347 V348	K286-E355 WeakPolarHBondContact CD-OE2 3.31Å; K286-E355 IonicContact NZ-OE2 2.68Å; K286-E355 PolarHBondContact NZ-OE2 3.22Å; T346-E355 WeakPolarHBondContact CB-OE1 3.42Å; T346-E355 HydrophobicContact CG2-CG 4.35Å; T346-E355 PolarHBondContact OG1-OE1 3.43Å; A347-E355 WeakPolarHBondContact O-CA 3.34Å; V348-E355 HydrophobicContact CG2-CB 4.16Å; V348-E355 HydrophobicContact CG2-CG 4.1Å
356	I	97	Very high	95.1	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.7	-177.5	60	-179.7	0	0	0	110.4	F283 A309 L312 T346 A347	F283-I356 HydrophobicContact CE1-CD1 3.78Å; F283-I356 HydrophobicContact CE1-CG1 4.36Å; A309-I356 HydrophobicContact CB-CD1 4.04Å; A309-I356 WeakPolarHBondContact O-CG2 3.33Å; L312-I356 HydrophobicContact CD2-CD1 3.99Å; L312-I356 HydrophobicContact CG-CD1 3.9Å; L312-I356 HydrophobicContact CG-CG1 4.29Å; T346-I356 CarbonylContact C-O 3.59Å; T346-I356 WeakPolarHBondContact CA-O 3.29Å; A347-I356 PolarHBondContact N-O 2.87Å; A347-I356 PolarHBondContact O-N 3.05Å
357	P	97.2	Very high	94.3	Very high	30 Å²	30	42.1 Å²	42.1	20%	0.195	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	155.6	177.1	28	-36.7	0	0	0	112.9	S310 H311 L312 L342 I392	S310-P357 VanDerWaalsContact O-CD 3.32Å; S310-P357 WeakPolarHBondContact O-CD 3.22Å; H311-P357 VanDerWaalsContact CA-O 3.28Å; H311-P357 WeakPolarHBondContact CA-O 3.49Å; H311-P357 HydrophobicContact CB-CG 4.18Å; H311-P357 WeakPolarHBondContact CB-O 3.45Å; L312-P357 PolarHBondContact N-O 2.88Å; L342-P357 HydrophobicContact CD1-CB 3.47Å; L342-P357 VanDerWaalsContact CD1-CB 3.47Å; L342-P357 HydrophobicContact CD1-CG 3.9Å; P357-I392 HydrophobicContact CG-CD1 4.09Å; P357-I392 HydrophobicContact CG-CG2 4.32Å
358	I	97.8	Very high	93.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.9	166.8	-61	-176.3	0	0	0	109.6	L285 L312 I314 F331 T343 V345 A347	L285-I358 HydrophobicContact CD2-CD1 3.54Å; L312-I358 HydrophobicContact CB-CG1 4.29Å; L312-I358 CarbonylContact O-C 3.54Å; L312-I358 WeakPolarHBondContact O-CA 3.24Å; I314-I358 HydrophobicContact CD1-CG2 3.89Å; I314-I358 HydrophobicContact CG1-CG2 3.86Å; I314-I358 HydrophobicContact CG2-CG2 4.2Å; F331-I358 HydrophobicContact CE1-CB 4.27Å; F331-I358 HydrophobicContact CE1-CG2 3.79Å; F331-I358 HydrophobicContact CZ-CD1 4.02Å; F331-I358 HydrophobicContact CZ-CG2 4.25Å; T343-I358 WeakPolarHBondContact CB-O 3.32Å; T343-I358 WeakPolarHBondContact CG2-O 3.42Å; T343-I358 PolarHBondContact N-O 3.03Å; T343-I358 PolarHBondContact OG1-O 2.76Å; V345-I358 HydrophobicContact CG1-CD1 3.93Å; V345-I358 PolarHBondContact O-N 2.65Å; A347-I358 HydrophobicContact CB-CD1 4.19Å; A347-I358 HydrophobicContact CB-CG1 4.04Å
359	V	98.1	Very high	92.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.4	174.9	177.6	0	0	0	0	108.8	H311 L312 Y313 I314 D340 C341 L342 V386 L390 I392	H311-V359 HydrophobicContact CB-CG2 3.92Å; L312-V359 PolarHBondContact O-N 3Å; Y313-V359 WeakPolarHBondContact CA-O 3.18Å; Y313-V359 HydrophobicContact CD1-CB 4.42Å; Y313-V359 HydrophobicContact CD1-CG1 4.33Å; Y313-V359 HydrophobicContact CE1-CG1 4.41Å; I314-V359 PolarHBondContact N-O 2.97Å; D340-V359 HydrophobicContact CB-CG1 4.03Å; C341-V359 CarbonylContact O-C 3.6Å; C341-V359 VanDerWaalsContact O-CA 3.32Å; C341-V359 WeakPolarHBondContact O-CA 3.26Å; L342-V359 HydrophobicContact CD1-CG2 4.23Å; V359-V386 HydrophobicContact CG1-CG1 4.43Å; V359-L390 HydrophobicContact CB-CD1 4.42Å; V359-L390 HydrophobicContact CG1-CD1 3.73Å; V359-L390 HydrophobicContact CG2-CD1 3.72Å; V359-I392 HydrophobicContact CG2-CD1 4.07Å
360	I	97.7	Very high	92.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.7	167.6	-50.7	163.6	0	0	0	107	I314 P316 L321 F331 F335 D340 C341 T343	I314-I360 HydrophobicContact CD1-CG1 4.14Å; I314-I360 HydrophobicContact CG1-CB 4.5Å; I314-I360 HydrophobicContact CG1-CG1 4.09Å; I314-I360 WeakPolarHBondContact O-CA 3.38Å; P316-I360 HydrophobicContact CG-CG2 4.4Å; L321-I360 HydrophobicContact CD2-CD1 4.27Å; F331-I360 HydrophobicContact CB-CD1 4.49Å; F331-I360 HydrophobicContact CD1-CD1 4.11Å; F331-I360 HydrophobicContact CD1-CG1 4.22Å; F335-I360 HydrophobicContact CB-CD1 3.79Å; F335-I360 HydrophobicContact CD2-CB 4.21Å; F335-I360 HydrophobicContact CD2-CD1 4.16Å; F335-I360 HydrophobicContact CD2-CG2 3.5Å; F335-I360 HydrophobicContact CE2-CG2 3.81Å; F335-I360 HydrophobicContact CG-CD1 4.4Å; F335-I360 HydrophobicContact CG-CG2 4.48Å; D340-I360 WeakPolarHBondContact CA-O 3.37Å; C341-I360 HydrophobicContact CB-CB 4.21Å; C341-I360 HydrophobicContact CB-CD1 4.47Å; C341-I360 PolarHBondContact N-O 3.41Å; C341-I360 PolarHBondContact O-N 2.87Å; T343-I360 HydrophobicContact CG2-CD1 3.81Å; T343-I360 HydrophobicContact CG2-CG1 3.73Å
361	S	96.4	Very high	92.1	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	27%	0.274	C	S	.	.			trans	-69.2	144.4	-174.7	-171.9	0	0	0	0	112.4	I314 P316 D340 K363	I314-S361 PolarHBondContact O-N 3Å; P316-S361 WeakPolarHBondContact CG-O 3.22Å; D340-S361 WeakPolarHBondContact OD1-CA 3.43Å; S361-K363 PolarHBondContact O-N 2.83Å; S361-K363 PolarHBondContact OG-N 3.47Å; S361-K363 VanDerWaalsContact OG-N 3.11Å
362	A	94.6	Very high	92	Very high	31 Å²	31	52.7 Å²	52.7	26%	0.256	27%	0.274	S	S	.	.	S	Bend	trans	-61.6	-29.8	165.8	0	0	0	0	0	112.1	D340	D340-A362 PolarHBondContact OD1-N 3.13Å
363	K	92.6	Very high	92	Very high	87 Å²	87	53.4 Å²	53.4	38%	0.378	28%	0.276	S	S	.	.	S	Bend	trans	-72.7	135.4	-177.8	-66.9	-179.3	172.9	177.6	0	109.7	P316 S361 N365 E382	P316-K363 VanDerWaalsContact CD-O 3.22Å; P316-K363 WeakPolarHBondContact CD-O 3.35Å; S361-K363 PolarHBondContact O-N 2.83Å; S361-K363 PolarHBondContact OG-N 3.47Å; S361-K363 VanDerWaalsContact OG-N 3.11Å; K363-N365 VanDerWaalsContact C-N 3.28Å; K363-N365 PolarHBondContact O-N 2.8Å; K363-E382 WeakPolarHBondContact CE-OE1 3.15Å; K363-E382 IonicContact NZ-OE1 3.71Å; K363-E382 PolarHBondContact NZ-OE1 3.11Å; K363-E382 IonicContact NZ-OE2 2.72Å; K363-E382 PolarHBondContact NZ-OE2 3.3Å; K363-E382 VanDerWaalsContact NZ-OE2 3.16Å
364	P	88.6	Confident	92.2	Very high	93 Å²	93	47.7 Å²	47.7	60%	0.604	25%	0.245	S	C	*	.	S	Bend	trans	-71.3	-25.4	175.8	28.7	-34.1	0	0	0	112.4
365	N	88.4	Confident	92.3	Very high	114 Å²	114	44.8 Å²	44.8	61%	0.61	23%	0.232	S	C	*	.			trans	-143.9	149.8	-180	-58.3	-58.1	0	0	0	110.4	K363	K363-N365 VanDerWaalsContact C-N 3.28Å; K363-N365 PolarHBondContact O-N 2.8Å
366	F	88.4	Confident	92.4	Very high	31 Å²	31	40.7 Å²	40.7	14%	0.136	21%	0.212	C	C	.	.			trans	-89.8	-179.9	164	-62.3	-43.9	0	0	0	110.6	Y313 L315 L370	Y313-F366 HydrophobicContact CG-CZ 4.27Å; L315-F366 HydrophobicContact CD1-CD2 4.22Å; L315-F366 HydrophobicContact CD2-CD1 3.87Å; L315-F366 HydrophobicContact CD2-CD2 3.7Å; L315-F366 HydrophobicContact CD2-CE1 3.71Å; L315-F366 HydrophobicContact CD2-CE2 3.54Å; L315-F366 HydrophobicContact CD2-CG 3.82Å; L315-F366 HydrophobicContact CD2-CZ 3.5Å; L315-F366 VanDerWaalsContact CD2-CZ 3.5Å; L315-F366 HydrophobicContact CG-CD2 3.72Å; L315-F366 HydrophobicContact CG-CE2 3.57Å; L315-F366 HydrophobicContact CG-CG 4.3Å; L315-F366 HydrophobicContact CG-CZ 4.02Å; F366-L370 HydrophobicContact CB-CB 4.23Å; F366-L370 HydrophobicContact CD2-CB 4.33Å; F366-L370 WeakPolarHBondContact CD2-O 3.39Å
367	E	80.6	Confident	92.4	Very high	134 Å²	134	40.5 Å²	40.5	63%	0.626	21%	0.212	S	C	*	.	S	Bend	trans	-61.2	141.8	170	-67	178.9	-179.6	0	0	110.4	F369	E367-F369 PolarHBondContact O-N 3.39Å; E367-F369 VanDerWaalsContact O-N 3.14Å
368	N	83.6	Confident	92.2	Very high	76 Å²	76	40.2 Å²	40.2	41%	0.406	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-113.9	179.7	-57.1	-58.9	0	0	0	112.5	D442 K443	N368-D442 WeakPolarHBondContact CB-O 3.4Å; N368-D442 PolarHBondContact ND2-OD1 2.81Å; N368-D442 PolarHBondContact ND2-OD2 3.45Å; N368-K443 HydrophobicContact CB-CG 3.94Å; N368-K443 VanDerWaalsContact CG-CG 3.41Å; N368-K443 WeakPolarHBondContact OD1-CE 3.36Å; N368-K443 WeakPolarHBondContact OD1-CG 3.22Å
369	F	77.3	Confident	92.1	Very high	104 Å²	104	42.5 Å²	42.5	46%	0.456	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	9.2	-167.7	-66.7	-56.8	0	0	0	114.4	E367 K443 R445	E367-F369 PolarHBondContact O-N 3.39Å; E367-F369 VanDerWaalsContact O-N 3.14Å; F369-K443 WeakPolarHBondContact CD2-O 3.42Å; F369-R445 HydrophobicContact CB-CG 4.22Å; F369-R445 VanDerWaalsContact CD1-NE 3.34Å; F369-R445 HydrophobicContact CD2-CG 4.35Å; F369-R445 HydrophobicContact CG-CG 4.38Å
370	L	88.2	Confident	92	Very high	26 Å²	26	43.8 Å²	43.8	14%	0.136	23%	0.234	C	C	.	.			trans	-70.2	135.4	178.9	-62.8	-179.8	0	0	0	110.7	Y299 Y301 L315 F366 D442	Y299-L370 HydrophobicContact CD1-CD1 3.61Å; Y299-L370 HydrophobicContact CD1-CD2 4.3Å; Y299-L370 HydrophobicContact CD2-CD2 4.36Å; Y299-L370 HydrophobicContact CE1-CD1 4.34Å; Y299-L370 HydrophobicContact CG-CD1 4.01Å; Y299-L370 HydrophobicContact CG-CD2 3.86Å; Y301-L370 HydrophobicContact CE2-CD1 4.41Å; L315-L370 WeakPolarHBondContact CD1-O 3.4Å; F366-L370 HydrophobicContact CB-CB 4.23Å; F366-L370 HydrophobicContact CD2-CB 4.33Å; F366-L370 WeakPolarHBondContact CD2-O 3.39Å; L370-D442 HydrophobicContact CD1-CB 3.69Å; L370-D442 HydrophobicContact CD2-CB 4.2Å; L370-D442 HydrophobicContact CG-CB 3.89Å
371	D	90.3	Very high	91.9	Very high	78 Å²	78	49.7 Å²	49.7	42%	0.417	27%	0.27	S	S	.	.	S	Bend	trans	-110.1	-11.7	169	65.4	0.4	0	0	0	112.8	I314 L315 H318	I314-D371 WeakPolarHBondContact CA-O 3.31Å; L315-D371 HydrophobicContact CD1-CB 4.33Å; L315-D371 PolarHBondContact N-O 3.15Å; H318-D371 IonicContact CD2-OD2 3.13Å
372	T	94.7	Very high	91.8	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	126.9	-178.7	-49.5	0	0	0	0	111	V296 A298 Y299 Y313 I314 H318	V296-T372 HydrophobicContact CG1-CG2 3.44Å; V296-T372 VanDerWaalsContact CG1-CG2 3.44Å; A298-T372 HydrophobicContact CB-CG2 3.49Å; A298-T372 VanDerWaalsContact CB-CG2 3.49Å; Y299-T372 PolarHBondContact N-O 3.4Å; Y313-T372 VanDerWaalsContact O-CA 3.27Å; Y313-T372 WeakPolarHBondContact O-CA 3.41Å; Y313-T372 WeakPolarHBondContact O-CG2 3.26Å; I314-T372 HydrophobicContact CG2-CG2 4.18Å; H318-T372 PolarHBondContact NE2-OG1 3.38Å
373	K	95.6	Very high	91.9	Very high	31 Å²	31	52.3 Å²	52.3	14%	0.135	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.7	179.8	176.1	-171.1	171	-151.7	0	111.1	Y299 Y301 Y313 D383	Y299-K373 CarbonylContact O-C 3.47Å; Y299-K373 WeakPolarHBondContact O-CA 3.3Å; Y301-K373 HydrophobicContact CE2-CD 4.39Å; Y313-K373 HydrophobicContact CD2-CB 4.34Å; Y313-K373 HydrophobicContact CD2-CD 4.39Å; Y313-K373 HydrophobicContact CD2-CG 4.42Å; Y313-K373 PolarHBondContact N-O 3.1Å; Y313-K373 PolarHBondContact O-N 3.18Å; Y313-K373 VanDerWaalsContact O-N 3.13Å; K373-D383 IonicContact NZ-OD1 3.61Å; K373-D383 PolarHBondContact NZ-OD1 3.25Å; K373-D383 IonicContact NZ-OD2 2.67Å; K373-D383 PolarHBondContact NZ-OD2 3.07Å
374	I	97.7	Very high	92.1	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124	169.1	-49.4	177.4	0	0	0	109.4	L281 F283 A298 Y299 T300 I306 A309 L312 I376	L281-I374 HydrophobicContact CB-CD1 4.34Å; L281-I374 HydrophobicContact CD1-CD1 4.4Å; F283-I374 HydrophobicContact CE2-CD1 3.71Å; F283-I374 HydrophobicContact CE2-CG1 4.08Å; F283-I374 HydrophobicContact CZ-CD1 3.73Å; F283-I374 HydrophobicContact CZ-CG1 4.08Å; A298-I374 HydrophobicContact CB-CD1 4.22Å; A298-I374 HydrophobicContact CB-CG1 3.52Å; Y299-I374 PolarHBondContact O-N 3.06Å; T300-I374 HydrophobicContact CG2-CD1 3.99Å; I306-I374 HydrophobicContact CD1-CD1 3.66Å; I306-I374 HydrophobicContact CD1-CG2 4.02Å; A309-I374 HydrophobicContact CB-CG2 3.63Å; L312-I374 HydrophobicContact CD2-CB 4.17Å; L312-I374 HydrophobicContact CD2-CG1 3.76Å; L312-I374 HydrophobicContact CD2-CG2 4.22Å; I374-I376 HydrophobicContact CG2-CD1 4.33Å; I374-I376 HydrophobicContact CG2-CG1 3.96Å
375	G	97.1	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.8	174.3	0	0	0	0	0	111.2	A309 S310 H311 P377	A309-G375 WeakPolarHBondContact CA-O 3.41Å; S310-G375 PolarHBondContact N-O 3.02Å; H311-G375 PolarHBondContact O-N 2.93Å; G375-P377 WeakPolarHBondContact O-CD 3.41Å
376	I	97.7	Very high	92.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.236	C	C	.	.			trans	-123.8	86	-179.5	-53.6	178.2	0	0	0	109.1	T300 A305 A309 I374 S378 T379 S380 D383	T300-I376 WeakPolarHBondContact OG1-CD1 3.35Å; A305-I376 HydrophobicContact CB-CD1 4.42Å; A305-I376 HydrophobicContact CB-CG2 4Å; A309-I376 HydrophobicContact CB-CG1 4.35Å; I374-I376 HydrophobicContact CG2-CD1 4.33Å; I374-I376 HydrophobicContact CG2-CG1 3.96Å; I376-S378 VanDerWaalsContact C-N 3.27Å; I376-S378 PolarHBondContact O-N 3.47Å; I376-S378 VanDerWaalsContact O-N 3.15Å; I376-T379 HydrophobicContact CG2-CG2 4.24Å; I376-T379 WeakPolarHBondContact CG2-OG1 3.43Å; I376-T379 PolarHBondContact O-N 2.97Å; I376-T379 PolarHBondContact O-OG1 3.31Å; I376-S380 PolarHBondContact O-N 3Å; I376-D383 PolarHBondContact N-OD2 3.4Å
377	P	97.3	Very high	93.3	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.045	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-51	-37.5	-175.4	-35.3	40.7	0	0	0	116.1	S310 G375 T379 S380 D383 A384 A387 F394	S310-P377 VanDerWaalsContact OG-CD 3.24Å; S310-P377 WeakPolarHBondContact OG-CD 3.18Å; S310-P377 WeakPolarHBondContact OG-CG 3.22Å; G375-P377 WeakPolarHBondContact O-CD 3.41Å; P377-T379 PolarHBondContact O-N 3.14Å; P377-T379 VanDerWaalsContact O-N 3.13Å; P377-S380 PolarHBondContact O-N 3.24Å; P377-S380 VanDerWaalsContact O-O 3.11Å; P377-D383 HydrophobicContact CG-CB 4.42Å; P377-A384 HydrophobicContact CB-CB 3.92Å; P377-A387 HydrophobicContact CG-CB 3.9Å; P377-F394 HydrophobicContact CB-CB 4.16Å; P377-F394 HydrophobicContact CB-CD1 3.6Å; P377-F394 HydrophobicContact CB-CD2 3.47Å; P377-F394 VanDerWaalsContact CB-CD2 3.47Å; P377-F394 HydrophobicContact CB-CE1 3.71Å; P377-F394 HydrophobicContact CB-CE2 3.58Å; P377-F394 HydrophobicContact CB-CG 3.47Å; P377-F394 VanDerWaalsContact CB-CG 3.47Å; P377-F394 HydrophobicContact CB-CZ 3.69Å; P377-F394 HydrophobicContact CG-CB 3.89Å; P377-F394 HydrophobicContact CG-CD1 3.71Å; P377-F394 HydrophobicContact CG-CD2 4.17Å; P377-F394 HydrophobicContact CG-CE1 4.22Å; P377-F394 HydrophobicContact CG-CG 3.67Å
378	S	94.5	Very high	94.1	Very high	23 Å²	23	43.9 Å²	43.9	16%	0.161	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66.2	-13.9	-179.4	60.9	0	0	0	0	113.7	I376 E396 V397	I376-S378 VanDerWaalsContact C-N 3.27Å; I376-S378 PolarHBondContact O-N 3.47Å; I376-S378 VanDerWaalsContact O-N 3.15Å; S378-E396 WeakPolarHBondContact CB-OE2 3.39Å; S378-V397 WeakPolarHBondContact OG-CG2 3.33Å
379	T	94.9	Very high	94.7	Very high	49 Å²	49	45.9 Å²	45.9	30%	0.301	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-120.4	-2.8	179.5	64.3	0	0	0	0	113.5	T302 A305 I376 P377 I398	T302-T379 HydrophobicContact CG2-CG2 4.5Å; T302-T379 PolarHBondContact OG1-OG1 3.44Å; T302-T379 VanDerWaalsContact OG1-OG1 3.1Å; A305-T379 HydrophobicContact CB-CG2 3.62Å; I376-T379 HydrophobicContact CG2-CG2 4.24Å; I376-T379 WeakPolarHBondContact CG2-OG1 3.43Å; I376-T379 PolarHBondContact O-N 2.97Å; I376-T379 PolarHBondContact O-OG1 3.31Å; P377-T379 PolarHBondContact O-N 3.14Å; P377-T379 VanDerWaalsContact O-N 3.13Å; T379-I398 HydrophobicContact CG2-CG1 3.9Å
380	S	95.5	Very high	95.6	Very high	26 Å²	26	43 Å²	43	18%	0.182	24%	0.235	C	C	.	.			trans	-145.9	117.4	-174.4	169.2	0	0	0	0	111.1	I376 P377 E382 D383 A384	I376-S380 PolarHBondContact O-N 3Å; P377-S380 PolarHBondContact O-N 3.24Å; P377-S380 VanDerWaalsContact O-O 3.11Å; S380-E382 VanDerWaalsContact C-N 3.27Å; S380-E382 PolarHBondContact O-N 2.89Å; S380-D383 WeakPolarHBondContact CB-OD2 3.34Å; S380-D383 PolarHBondContact O-N 2.91Å; S380-D383 PolarHBondContact OG-N 3.36Å; S380-D383 PolarHBondContact OG-OD2 2.89Å; S380-D383 VanDerWaalsContact OG-OD2 3.07Å; S380-A384 PolarHBondContact O-N 2.94Å
381	T	95.5	Very high	96	Very high	125 Å²	125	45 Å²	45	77%	0.767	26%	0.263	S	S	*	.	H	α-helix	trans	-64.8	-31.3	177.8	52.1	0	0	0	0	112.6	T385	T381-T385 WeakPolarHBondContact O-CB 3.11Å; T381-T385 PolarHBondContact O-N 3.49Å; T381-T385 PolarHBondContact O-OG1 3.24Å
382	E	94.6	Very high	96.4	Very high	84 Å²	84	42.4 Å²	42.4	39%	0.393	25%	0.248	S	C	.	.	H	α-helix	trans	-65.4	-49	173.4	-174.6	179.1	165.3	0	0	110.6	K363 S380 A384 T385 V386	K363-E382 WeakPolarHBondContact CE-OE1 3.15Å; K363-E382 IonicContact NZ-OE1 3.71Å; K363-E382 PolarHBondContact NZ-OE1 3.11Å; K363-E382 IonicContact NZ-OE2 2.72Å; K363-E382 PolarHBondContact NZ-OE2 3.3Å; K363-E382 VanDerWaalsContact NZ-OE2 3.16Å; S380-E382 VanDerWaalsContact C-N 3.27Å; S380-E382 PolarHBondContact O-N 2.89Å; E382-A384 VanDerWaalsContact C-N 3.28Å; E382-A384 PolarHBondContact O-N 3.12Å; E382-T385 WeakPolarHBondContact O-CB 3.48Å; E382-T385 PolarHBondContact O-N 3.39Å; E382-T385 VanDerWaalsContact O-N 3.07Å; E382-V386 PolarHBondContact O-N 3.19Å
383	D	96.6	Very high	96.3	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-35.3	-178.9	-59.6	-25	0	0	0	111	Y313 K373 I376 P377 S380 A387	Y313-D383 VanDerWaalsContact CE2-OD1 3.25Å; Y313-D383 WeakPolarHBondContact CE2-OD1 3.27Å; Y313-D383 PolarHBondContact OH-OD1 3.27Å; K373-D383 IonicContact NZ-OD1 3.61Å; K373-D383 PolarHBondContact NZ-OD1 3.25Å; K373-D383 IonicContact NZ-OD2 2.67Å; K373-D383 PolarHBondContact NZ-OD2 3.07Å; I376-D383 PolarHBondContact N-OD2 3.4Å; P377-D383 HydrophobicContact CG-CB 4.42Å; S380-D383 WeakPolarHBondContact CB-OD2 3.34Å; S380-D383 PolarHBondContact O-N 2.91Å; S380-D383 PolarHBondContact OG-N 3.36Å; S380-D383 PolarHBondContact OG-OD2 2.89Å; S380-D383 VanDerWaalsContact OG-OD2 3.07Å; D383-A387 VanDerWaalsContact O-CB 3.31Å; D383-A387 WeakPolarHBondContact O-CB 3.27Å; D383-A387 PolarHBondContact O-N 2.77Å
384	A	97.3	Very high	96.3	Very high	25 Å²	25	49.6 Å²	49.6	21%	0.207	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-37.5	172.7	0	0	0	0	0	113.1	P377 S380 E382 K388 F394	P377-A384 HydrophobicContact CB-CB 3.92Å; S380-A384 PolarHBondContact O-N 2.94Å; E382-A384 VanDerWaalsContact C-N 3.28Å; E382-A384 PolarHBondContact O-N 3.12Å; A384-K388 VanDerWaalsContact O-CB 3.31Å; A384-K388 WeakPolarHBondContact O-CB 3.09Å; A384-K388 PolarHBondContact O-N 2.83Å; A384-F394 HydrophobicContact CB-CZ 4.41Å
385	T	96.9	Very high	96	Very high	77 Å²	77	53.1 Å²	53.1	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-45.7	177.4	-60.9	0	0	0	0	111	T381 E382 K388 N389	T381-T385 WeakPolarHBondContact O-CB 3.11Å; T381-T385 PolarHBondContact O-N 3.49Å; T381-T385 PolarHBondContact O-OG1 3.24Å; E382-T385 WeakPolarHBondContact O-CB 3.48Å; E382-T385 PolarHBondContact O-N 3.39Å; E382-T385 VanDerWaalsContact O-N 3.07Å; T385-K388 PolarHBondContact O-N 3.35Å; T385-N389 WeakPolarHBondContact O-CB 3.34Å; T385-N389 PolarHBondContact O-N 3.49Å; T385-N389 PolarHBondContact O-ND2 2.84Å
386	V	96.6	Very high	96	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-48.1	176.6	172.6	0	0	0	0	110.9	Y313 D340 V359 E382 K388 N389 L390	Y313-V386 HydrophobicContact CE1-CB 4.49Å; Y313-V386 HydrophobicContact CE1-CG1 3.99Å; Y313-V386 HydrophobicContact CE1-CG2 4.32Å; Y313-V386 WeakPolarHBondContact OH-CB 3.47Å; Y313-V386 VanDerWaalsContact OH-CG2 3.29Å; Y313-V386 WeakPolarHBondContact OH-CG2 3.23Å; D340-V386 HydrophobicContact CB-CG1 4.45Å; V359-V386 HydrophobicContact CG1-CG1 4.43Å; E382-V386 PolarHBondContact O-N 3.19Å; V386-K388 VanDerWaalsContact C-N 3.31Å; V386-K388 PolarHBondContact O-N 3.35Å; V386-N389 PolarHBondContact O-N 3.24Å; V386-L390 HydrophobicContact CG1-CD1 3.76Å; V386-L390 HydrophobicContact CG1-CG 4.41Å; V386-L390 WeakPolarHBondContact O-CB 3.49Å; V386-L390 WeakPolarHBondContact O-CG 3.28Å; V386-L390 PolarHBondContact O-N 3.29Å
387	A	97.3	Very high	95.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.8	-45	177.6	0	0	0	0	0	111.5	P377 D383 L390 G391 I392 F394	P377-A387 HydrophobicContact CG-CB 3.9Å; D383-A387 VanDerWaalsContact O-CB 3.31Å; D383-A387 WeakPolarHBondContact O-CB 3.27Å; D383-A387 PolarHBondContact O-N 2.77Å; A387-L390 PolarHBondContact O-N 3.08Å; A387-G391 PolarHBondContact O-N 2.63Å; A387-I392 HydrophobicContact CB-CB 4.18Å; A387-I392 PolarHBondContact O-N 2.8Å; A387-F394 HydrophobicContact CB-CD1 4.02Å; A387-F394 HydrophobicContact CB-CE1 4.33Å
388	K	97	Very high	95.9	Very high	170 Å²	170	58.5 Å²	58.5	74%	0.739	34%	0.339	S	S	*	.	H	α-helix	trans	-63.7	-45.1	176.9	-175.6	179.5	179.2	-179.2	0	112.7	A384 T385 V386 L390 G391	A384-K388 VanDerWaalsContact O-CB 3.31Å; A384-K388 WeakPolarHBondContact O-CB 3.09Å; A384-K388 PolarHBondContact O-N 2.83Å; T385-K388 PolarHBondContact O-N 3.35Å; V386-K388 VanDerWaalsContact C-N 3.31Å; V386-K388 PolarHBondContact O-N 3.35Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 3.43Å; K388-G391 PolarHBondContact O-N 2.94Å
389	N	96.6	Very high	96	Very high	118 Å²	118	61.7 Å²	61.7	63%	0.631	35%	0.352	S	S	*	.	H	α-helix	trans	-64.8	-32.3	-179.1	-72.4	-14.8	0	0	0	112.4	T385 V386	T385-N389 WeakPolarHBondContact O-CB 3.34Å; T385-N389 PolarHBondContact O-N 3.49Å; T385-N389 PolarHBondContact O-ND2 2.84Å; V386-N389 PolarHBondContact O-N 3.24Å
390	L	96.6	Very high	96	Very high	43 Å²	43	63.5 Å²	63.5	23%	0.225	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	0.3	178.5	-62.5	178.8	0	0	0	113.5	D340 L342 V359 V386 A387 K388 I392	D340-L390 HydrophobicContact CB-CD1 4.19Å; L342-L390 HydrophobicContact CB-CD1 4.43Å; L342-L390 HydrophobicContact CB-CD2 4.45Å; V359-L390 HydrophobicContact CB-CD1 4.42Å; V359-L390 HydrophobicContact CG1-CD1 3.73Å; V359-L390 HydrophobicContact CG2-CD1 3.72Å; V386-L390 HydrophobicContact CG1-CD1 3.76Å; V386-L390 HydrophobicContact CG1-CG 4.41Å; V386-L390 WeakPolarHBondContact O-CB 3.49Å; V386-L390 WeakPolarHBondContact O-CG 3.28Å; V386-L390 PolarHBondContact O-N 3.29Å; A387-L390 PolarHBondContact O-N 3.08Å; K388-L390 VanDerWaalsContact C-N 3.26Å; K388-L390 PolarHBondContact O-N 3.43Å; L390-I392 VanDerWaalsContact C-N 3.34Å; L390-I392 HydrophobicContact CB-CD1 3.92Å; L390-I392 HydrophobicContact CB-CG1 3.92Å; L390-I392 HydrophobicContact CD1-CD1 4.18Å; L390-I392 PolarHBondContact O-N 2.95Å
391	G	96.7	Very high	95.9	Very high	70 Å²	70	64.4 Å²	64.4	72%	0.722	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	26.2	-179.6	0	0	0	0	0	114.7	A387 K388	A387-G391 PolarHBondContact O-N 2.63Å; K388-G391 PolarHBondContact O-N 2.94Å
392	I	96.9	Very high	95.8	Very high	22 Å²	22	65.3 Å²	65.3	11%	0.113	37%	0.374	C	S	.	.			trans	-86.3	122.4	-179.9	-53.2	172.5	0	0	0	109.7	S310 H311 L342 P357 V359 A387 L390	S310-I392 WeakPolarHBondContact O-CG2 3.4Å; H311-I392 HydrophobicContact CB-CD1 4.11Å; L342-I392 HydrophobicContact CD1-CD1 4.03Å; L342-I392 HydrophobicContact CD1-CG1 4.44Å; P357-I392 HydrophobicContact CG-CD1 4.09Å; P357-I392 HydrophobicContact CG-CG2 4.32Å; V359-I392 HydrophobicContact CG2-CD1 4.07Å; A387-I392 HydrophobicContact CB-CB 4.18Å; A387-I392 PolarHBondContact O-N 2.8Å; L390-I392 VanDerWaalsContact C-N 3.34Å; L390-I392 HydrophobicContact CB-CD1 3.92Å; L390-I392 HydrophobicContact CB-CG1 3.92Å; L390-I392 HydrophobicContact CD1-CD1 4.18Å; L390-I392 PolarHBondContact O-N 2.95Å
393	S	94.3	Very high	95.7	Very high	109 Å²	109	67.1 Å²	67.1	76%	0.762	39%	0.386	S	S	*	.			trans	-73.4	144.9	173.7	58.1	0	0	0	0	111.8
394	F	94.3	Very high	95.5	Very high	78 Å²	78	69.4 Å²	69.4	34%	0.342	41%	0.411	S	S	.	.			trans	-140.6	166.5	173.1	63.7	-93.9	0	0	0	111.6	P377 A384 A387	P377-F394 HydrophobicContact CB-CB 4.16Å; P377-F394 HydrophobicContact CB-CD1 3.6Å; P377-F394 HydrophobicContact CB-CD2 3.47Å; P377-F394 VanDerWaalsContact CB-CD2 3.47Å; P377-F394 HydrophobicContact CB-CE1 3.71Å; P377-F394 HydrophobicContact CB-CE2 3.58Å; P377-F394 HydrophobicContact CB-CG 3.47Å; P377-F394 VanDerWaalsContact CB-CG 3.47Å; P377-F394 HydrophobicContact CB-CZ 3.69Å; P377-F394 HydrophobicContact CG-CB 3.89Å; P377-F394 HydrophobicContact CG-CD1 3.71Å; P377-F394 HydrophobicContact CG-CD2 4.17Å; P377-F394 HydrophobicContact CG-CE1 4.22Å; P377-F394 HydrophobicContact CG-CG 3.67Å; A384-F394 HydrophobicContact CB-CZ 4.41Å; A387-F394 HydrophobicContact CB-CD1 4.02Å; A387-F394 HydrophobicContact CB-CE1 4.33Å
395	T	92.9	Very high	95.3	Very high	75 Å²	75	71.9 Å²	71.9	46%	0.46	42%	0.42	S	S	.	.			trans	-117.5	139	-177.9	-56.9	0	0	0	0	110.1	V397 N410	T395-V397 PolarHBondContact O-N 3.16Å; T395-N410 HydrophobicContact CG2-CB 3.91Å
396	E	95.6	Very high	95.2	Very high	96 Å²	96	71.4 Å²	71.4	45%	0.449	41%	0.412	S	S	.	.			trans	-69.9	127	170.9	-69	-58.6	153	0	0	110.3	S378 N410	S378-E396 WeakPolarHBondContact CB-OE2 3.39Å; E396-N410 PolarHBondContact O-ND2 3.18Å
397	V	97.1	Very high	95.3	Very high	0 Å²	0	74 Å²	74	0%	0	42%	0.423	C	S	.	.			trans	-123.1	-1.3	-178.3	-64.4	0	0	0	0	114	A305 S378 T395 V408 I409 N410	A305-V397 HydrophobicContact CB-CG2 3.93Å; S378-V397 WeakPolarHBondContact OG-CG2 3.33Å; T395-V397 PolarHBondContact O-N 3.16Å; V397-V408 CarbonylContact O-C 3.39Å; V397-V408 VanDerWaalsContact O-CA 3.25Å; V397-V408 WeakPolarHBondContact O-CA 3.43Å; V397-I409 VanDerWaalsContact CA-O 3.31Å; V397-I409 WeakPolarHBondContact CA-O 3.45Å; V397-I409 WeakPolarHBondContact CB-O 3.28Å; V397-I409 PolarHBondContact O-N 3.21Å; V397-N410 HydrophobicContact CG1-CB 4.36Å
398	I	96.6	Very high	95.3	Very high	25 Å²	25	74 Å²	74	13%	0.128	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.8	173.9	-57.9	-62.1	0	0	0	108.7	A305 T379 E406 K407 V408 R419	A305-I398 HydrophobicContact CB-CD1 4.3Å; T379-I398 HydrophobicContact CG2-CG1 3.9Å; I398-E406 HydrophobicContact CG2-CB 4.19Å; I398-E406 HydrophobicContact CG2-CG 4.35Å; I398-K407 WeakPolarHBondContact CA-O 3.49Å; I398-V408 HydrophobicContact CD1-CG1 3.99Å; I398-R419 HydrophobicContact CD1-CG 4.14Å
399	E	96.1	Very high	95.3	Very high	91 Å²	91	67.9 Å²	67.9	43%	0.425	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.1	171.2	-177.5	-178.2	-134.7	0	0	109.2	L401 E406 K407 I409	E399-L401 HydrophobicContact CG-CD2 4.36Å; E399-E406 WeakPolarHBondContact O-CA 3.21Å; E399-K407 PolarHBondContact N-O 3.15Å; E399-K407 PolarHBondContact O-N 2.99Å; E399-I409 HydrophobicContact CB-CD1 4.16Å; E399-I409 HydrophobicContact CB-CG1 4.35Å; E399-I409 HydrophobicContact CB-CG2 3.77Å
400	T	95.5	Very high	95.3	Very high	87 Å²	87	66.9 Å²	66.9	53%	0.534	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.5	171.4	-49.9	0	0	0	0	109.3	E406	T400-E406 HydrophobicContact CG2-CG 4.34Å
401	L	93.1	Very high	95.3	Very high	44 Å²	44	64.8 Å²	64.8	23%	0.23	38%	0.382	C	S	.	.			trans	-73.5	161.1	177.3	-62.3	-179.8	0	0	0	111.3	E399 N403 G404 L405 K407	E399-L401 HydrophobicContact CG-CD2 4.36Å; L401-N403 VanDerWaalsContact CB-OD1 3.3Å; L401-N403 WeakPolarHBondContact CB-OD1 3.41Å; L401-N403 PolarHBondContact O-N 3.38Å; L401-G404 PolarHBondContact O-N 3.41Å; L401-L405 WeakPolarHBondContact CB-O 3.47Å; L401-L405 HydrophobicContact CD1-CB 4.43Å; L401-L405 HydrophobicContact CD1-CD2 4.39Å; L401-L405 PolarHBondContact N-O 3.13Å; L401-K407 HydrophobicContact CD1-CD 4.02Å; L401-K407 HydrophobicContact CD1-CG 4.35Å
402	P	93.4	Very high	95.2	Very high	145 Å²	145	63.7 Å²	63.7	94%	0.942	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.9	-179.9	-27.4	35.5	0	0	0	115.3	G404	P402-G404 VanDerWaalsContact C-N 3.3Å
403	N	91.9	Very high	95	Very high	121 Å²	121	68.8 Å²	68.8	65%	0.647	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	5.3	176.2	66.4	-5.7	0	0	0	113.6	L401 L405	L401-N403 VanDerWaalsContact CB-OD1 3.3Å; L401-N403 WeakPolarHBondContact CB-OD1 3.41Å; L401-N403 PolarHBondContact O-N 3.38Å; N403-L405 VanDerWaalsContact C-N 3.28Å; N403-L405 PolarHBondContact O-N 2.98Å; N403-L405 VanDerWaalsContact OD1-CB 3.22Å; N403-L405 WeakPolarHBondContact OD1-CB 3.48Å; N403-L405 PolarHBondContact OD1-N 3.08Å
404	G	92.1	Very high	95.2	Very high	53 Å²	53	64 Å²	64	55%	0.546	36%	0.359	S	S	.	.	S	Bend	trans	81	-0.7	-177.9	0	0	0	0	0	114.8	L401 P402	L401-G404 PolarHBondContact O-N 3.41Å; P402-G404 VanDerWaalsContact C-N 3.3Å
405	L	93.4	Very high	95.3	Very high	77 Å²	77	63.9 Å²	63.9	40%	0.403	37%	0.365	S	S	.	.			trans	-74.4	132.1	175.6	-175.4	68.4	0	0	0	110.1	L401 N403 T418	L401-L405 WeakPolarHBondContact CB-O 3.47Å; L401-L405 HydrophobicContact CD1-CB 4.43Å; L401-L405 HydrophobicContact CD1-CD2 4.39Å; L401-L405 PolarHBondContact N-O 3.13Å; N403-L405 VanDerWaalsContact C-N 3.28Å; N403-L405 PolarHBondContact O-N 2.98Å; N403-L405 VanDerWaalsContact OD1-CB 3.22Å; N403-L405 WeakPolarHBondContact OD1-CB 3.48Å; N403-L405 PolarHBondContact OD1-N 3.08Å; L405-T418 HydrophobicContact CD1-CG2 4.14Å; L405-T418 HydrophobicContact CD2-CG2 4.16Å; L405-T418 HydrophobicContact CG-CG2 4.41Å
406	E	96.2	Very high	95.5	Very high	66 Å²	66	62.1 Å²	62.1	31%	0.308	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132	176.8	-64	-175.5	146.9	0	0	111.8	I398 E399 T400 R419	I398-E406 HydrophobicContact CG2-CB 4.19Å; I398-E406 HydrophobicContact CG2-CG 4.35Å; E399-E406 WeakPolarHBondContact O-CA 3.21Å; T400-E406 HydrophobicContact CG2-CG 4.34Å; E406-R419 HydrophobicContact CB-CG 3.94Å; E406-R419 PolarHBondContact O-N 3.02Å; E406-R419 WeakPolarHBondContact OE2-CD 3.5Å; E406-R419 IonicContact OE2-CZ 2.76Å; E406-R419 IonicContact OE2-NE 3.66Å; E406-R419 IonicContact OE2-NH1 3.33Å; E406-R419 PolarHBondContact OE2-NH1 3.07Å
407	K	97	Very high	95.6	Very high	65 Å²	65	60.5 Å²	60.5	28%	0.283	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.8	174.9	-70	-171.7	169.4	-157.3	0	111.2	I398 E399 L401 G416 M417	I398-K407 WeakPolarHBondContact CA-O 3.49Å; E399-K407 PolarHBondContact N-O 3.15Å; E399-K407 PolarHBondContact O-N 2.99Å; L401-K407 HydrophobicContact CD1-CD 4.02Å; L401-K407 HydrophobicContact CD1-CG 4.35Å; K407-G416 WeakPolarHBondContact CD-O 3.45Å; K407-G416 PolarHBondContact NZ-O 3.03Å; K407-M417 CarbonylContact C-O 3.59Å; K407-M417 VanDerWaalsContact CA-O 3.25Å; K407-M417 WeakPolarHBondContact CA-O 3.27Å; K407-M417 WeakPolarHBondContact CB-O 3.2Å
408	V	97.4	Very high	95.6	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.2	171	-60.1	0	0	0	0	110.2	E304 V397 I398 F414 G416 M417 A422	E304-V408 HydrophobicContact CB-CG1 4.42Å; E304-V408 HydrophobicContact CG-CG1 4.4Å; V397-V408 CarbonylContact O-C 3.39Å; V397-V408 VanDerWaalsContact O-CA 3.25Å; V397-V408 WeakPolarHBondContact O-CA 3.43Å; I398-V408 HydrophobicContact CD1-CG1 3.99Å; V408-F414 HydrophobicContact CG2-CB 4.22Å; V408-F414 WeakPolarHBondContact CG2-O 3.14Å; V408-G416 PolarHBondContact O-N 3.07Å; V408-M417 HydrophobicContact CG2-CB 4.19Å; V408-M417 PolarHBondContact N-O 2.73Å; V408-A422 HydrophobicContact CB-CB 4.41Å; V408-A422 HydrophobicContact CG1-CB 3.78Å; V408-A422 HydrophobicContact CG2-CB 3.7Å
409	I	97.6	Very high	95.6	Very high	40 Å²	40	64.3 Å²	64.3	21%	0.205	37%	0.371	C	S	.	.			trans	-122.4	163.4	175.1	60	166.1	0	0	0	109.8	V397 E399 S411	V397-I409 VanDerWaalsContact CA-O 3.31Å; V397-I409 WeakPolarHBondContact CA-O 3.45Å; V397-I409 WeakPolarHBondContact CB-O 3.28Å; V397-I409 PolarHBondContact O-N 3.21Å; E399-I409 HydrophobicContact CB-CD1 4.16Å; E399-I409 HydrophobicContact CB-CG1 4.35Å; E399-I409 HydrophobicContact CB-CG2 3.77Å; I409-S411 PolarHBondContact O-N 3.22Å; I409-S411 PolarHBondContact O-OG 2.95Å
410	N	96.2	Very high	95.5	Very high	97 Å²	97	67.7 Å²	67.7	52%	0.519	39%	0.386	S	S	.	.	S	Bend	trans	51.2	30.1	179.1	-57.5	-42.2	0	0	0	113.9	T395 E396 V397	T395-N410 HydrophobicContact CG2-CB 3.91Å; E396-N410 PolarHBondContact O-ND2 3.18Å; V397-N410 HydrophobicContact CG1-CB 4.36Å
411	S	96.5	Very high	95.6	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	39%	0.385	C	S	.	.			trans	-117.7	39.1	-167.4	-66.4	0	0	0	0	112.1	Y307 I409 E413 F414 T415	Y307-S411 WeakPolarHBondContact CE2-O 3.38Å; I409-S411 PolarHBondContact O-N 3.22Å; I409-S411 PolarHBondContact O-OG 2.95Å; S411-E413 PolarHBondContact O-N 3.44Å; S411-F414 WeakPolarHBondContact O-CD2 3.31Å; S411-F414 PolarHBondContact O-N 3.34Å; S411-F414 VanDerWaalsContact O-N 3.14Å; S411-T415 PolarHBondContact N-OG1 3Å
412	G	94.3	Very high	95.8	Very high	46 Å²	46	66.6 Å²	66.6	47%	0.474	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	57	-131.5	-178	0	0	0	0	0	112.4	F414 T415	G412-F414 PolarHBondContact O-N 3.48Å; G412-T415 WeakPolarHBondContact O-CB 3.28Å; G412-T415 PolarHBondContact O-N 2.98Å; G412-T415 PolarHBondContact O-OG1 3.19Å
413	E	94.5	Very high	96	Very high	130 Å²	130	61.5 Å²	61.5	61%	0.607	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-66.2	-14.9	-179.8	67.5	-173.6	137.3	0	0	114.4	S411 Q429	S411-E413 PolarHBondContact O-N 3.44Å; E413-Q429 PolarHBondContact OE1-NE2 3.47Å
414	F	96.7	Very high	96.2	Very high	9 Å²	9	63.4 Å²	63.4	4%	0.039	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-87.5	-9.3	-179.7	-52.5	-76.6	0	0	0	112.8	Y307 V408 S411 G412 G416 M417 A425 L426	Y307-F414 AromaticContact CE2-CD2 3.89Å; Y307-F414 HydrophobicContact CE2-CD2 3.89Å; Y307-F414 HydrophobicContact CE2-CE2 4.21Å; V408-F414 HydrophobicContact CG2-CB 4.22Å; V408-F414 WeakPolarHBondContact CG2-O 3.14Å; S411-F414 WeakPolarHBondContact O-CD2 3.31Å; S411-F414 PolarHBondContact O-N 3.34Å; S411-F414 VanDerWaalsContact O-N 3.14Å; G412-F414 PolarHBondContact O-N 3.48Å; F414-G416 PolarHBondContact O-N 3.39Å; F414-M417 HydrophobicContact CB-SD 4.16Å; F414-M417 HydrophobicContact CD1-CE 4.14Å; F414-M417 HydrophobicContact CD1-SD 3.9Å; F414-M417 VanDerWaalsContact O-CB 3.27Å; F414-M417 WeakPolarHBondContact O-CB 3.22Å; F414-M417 VanDerWaalsContact O-CG 3.26Å; F414-M417 WeakPolarHBondContact O-CG 3.48Å; F414-M417 PolarHBondContact O-N 3.06Å; F414-M417 VanDerWaalsContact O-N 3.11Å; F414-A425 HydrophobicContact CD1-CB 3.79Å; F414-A425 HydrophobicContact CE1-CB 3.55Å; F414-L426 HydrophobicContact CD1-CG 4.12Å; F414-L426 HydrophobicContact CD2-CD1 4.36Å; F414-L426 HydrophobicContact CD2-CD2 3.59Å; F414-L426 HydrophobicContact CD2-CG 3.87Å; F414-L426 HydrophobicContact CE1-CD2 4.33Å; F414-L426 HydrophobicContact CE1-CG 4.05Å; F414-L426 HydrophobicContact CE2-CD2 3.24Å; F414-L426 HydrophobicContact CE2-CG 3.8Å; F414-L426 HydrophobicContact CG-CD1 4.41Å; F414-L426 HydrophobicContact CG-CD2 4.28Å; F414-L426 HydrophobicContact CG-CG 4.04Å; F414-L426 HydrophobicContact CZ-CD2 3.66Å; F414-L426 HydrophobicContact CZ-CG 3.88Å
415	T	97.5	Very high	96.4	Very high	75 Å²	75	62.3 Å²	62.3	46%	0.46	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	127.2	-178.8	-60.4	0	0	0	0	111.6	S411 G412	S411-T415 PolarHBondContact N-OG1 3Å; G412-T415 WeakPolarHBondContact O-CB 3.28Å; G412-T415 PolarHBondContact O-N 2.98Å; G412-T415 PolarHBondContact O-OG1 3.19Å
416	G	96.4	Very high	96.5	Very high	37 Å²	37	58.8 Å²	58.8	38%	0.381	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-10.4	179.3	0	0	0	0	0	115.2	K407 V408 F414	K407-G416 WeakPolarHBondContact CD-O 3.45Å; K407-G416 PolarHBondContact NZ-O 3.03Å; V408-G416 PolarHBondContact O-N 3.07Å; F414-G416 PolarHBondContact O-N 3.39Å
417	M	98	Very high	96.5	Very high	63 Å²	63	56.3 Å²	56.3	31%	0.31	30%	0.298	S	S	.	.			trans	-69.4	152.9	170.5	-65.8	-177	-174.3	0	0	111.1	K407 V408 F414 E421 A422 A425	K407-M417 CarbonylContact C-O 3.59Å; K407-M417 VanDerWaalsContact CA-O 3.25Å; K407-M417 WeakPolarHBondContact CA-O 3.27Å; K407-M417 WeakPolarHBondContact CB-O 3.2Å; V408-M417 HydrophobicContact CG2-CB 4.19Å; V408-M417 PolarHBondContact N-O 2.73Å; F414-M417 HydrophobicContact CB-SD 4.16Å; F414-M417 HydrophobicContact CD1-CE 4.14Å; F414-M417 HydrophobicContact CD1-SD 3.9Å; F414-M417 VanDerWaalsContact O-CB 3.27Å; F414-M417 WeakPolarHBondContact O-CB 3.22Å; F414-M417 VanDerWaalsContact O-CG 3.26Å; F414-M417 WeakPolarHBondContact O-CG 3.48Å; F414-M417 PolarHBondContact O-N 3.06Å; F414-M417 VanDerWaalsContact O-N 3.11Å; M417-E421 HydrophobicContact CB-CB 4.06Å; M417-E421 HydrophobicContact CG-CB 4.49Å; M417-A422 HydrophobicContact CB-CB 4.18Å; M417-A425 HydrophobicContact SD-CB 4.33Å
418	T	97.4	Very high	96.5	Very high	32 Å²	32	57.9 Å²	57.9	20%	0.196	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-67.1	159.5	165.2	63.1	0	0	0	0	110.6	L405 Q420 E421 A422	L405-T418 HydrophobicContact CD1-CG2 4.14Å; L405-T418 HydrophobicContact CD2-CG2 4.16Å; L405-T418 HydrophobicContact CG-CG2 4.41Å; T418-Q420 VanDerWaalsContact C-N 3.26Å; T418-Q420 PolarHBondContact O-N 2.9Å; T418-E421 WeakPolarHBondContact CB-OE2 3.05Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.49Å; T418-E421 PolarHBondContact N-OE2 3.23Å; T418-E421 PolarHBondContact O-N 3.19Å; T418-E421 WeakPolarHBondContact OG1-CB 3.31Å; T418-E421 VanDerWaalsContact OG1-CG 3.24Å; T418-E421 WeakPolarHBondContact OG1-CG 3.37Å; T418-E421 PolarHBondContact OG1-N 2.97Å; T418-E421 PolarHBondContact OG1-OE2 3.21Å; T418-A422 WeakPolarHBondContact O-CB 2.92Å; T418-A422 PolarHBondContact O-N 2.98Å
419	R	95.4	Very high	96.5	Very high	72 Å²	72	59.9 Å²	59.9	27%	0.272	32%	0.316	S	S	.	.	H	α-helix	trans	-53.7	-41.7	177.4	-72.2	-175.1	69.3	178.8	2.9	113.3	E304 I398 E406 A422 L423	E304-R419 HydrophobicContact CG-CB 4.06Å; E304-R419 HydrophobicContact CG-CG 4.2Å; E304-R419 IonicContact OE1-CZ 2.78Å; E304-R419 IonicContact OE1-NE 3.73Å; E304-R419 PolarHBondContact OE1-NE 3.33Å; E304-R419 IonicContact OE1-NH2 3.92Å; E304-R419 PolarHBondContact OE1-NH2 3.07Å; I398-R419 HydrophobicContact CD1-CG 4.14Å; E406-R419 HydrophobicContact CB-CG 3.94Å; E406-R419 PolarHBondContact O-N 3.02Å; E406-R419 WeakPolarHBondContact OE2-CD 3.5Å; E406-R419 IonicContact OE2-CZ 2.76Å; E406-R419 IonicContact OE2-NE 3.66Å; E406-R419 IonicContact OE2-NH1 3.33Å; E406-R419 PolarHBondContact OE2-NH1 3.07Å; R419-A422 PolarHBondContact O-N 3.39Å; R419-L423 VanDerWaalsContact O-CB 3.3Å; R419-L423 WeakPolarHBondContact O-CB 2.9Å; R419-L423 PolarHBondContact O-N 3.34Å
420	Q	95.4	Very high	96.4	Very high	162 Å²	162	58 Å²	58	76%	0.757	31%	0.306	S	S	*	.	H	α-helix	trans	-69	-40.5	-179.1	-170.5	178.6	8.6	0	0	112.7	T418 K424	T418-Q420 VanDerWaalsContact C-N 3.26Å; T418-Q420 PolarHBondContact O-N 2.9Å; Q420-K424 PolarHBondContact O-N 2.76Å
421	E	97.3	Very high	96.3	Very high	108 Å²	108	57.3 Å²	57.3	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-46	175.2	-71.8	164.4	148.5	0	0	111	M417 T418 K424 A425	M417-E421 HydrophobicContact CB-CB 4.06Å; M417-E421 HydrophobicContact CG-CB 4.49Å; T418-E421 WeakPolarHBondContact CB-OE2 3.05Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.49Å; T418-E421 PolarHBondContact N-OE2 3.23Å; T418-E421 PolarHBondContact O-N 3.19Å; T418-E421 WeakPolarHBondContact OG1-CB 3.31Å; T418-E421 VanDerWaalsContact OG1-CG 3.24Å; T418-E421 WeakPolarHBondContact OG1-CG 3.37Å; T418-E421 PolarHBondContact OG1-N 2.97Å; T418-E421 PolarHBondContact OG1-OE2 3.21Å; E421-K424 PolarHBondContact O-N 3.36Å; E421-A425 WeakPolarHBondContact O-CB 3.24Å; E421-A425 PolarHBondContact O-N 3.14Å
422	A	97.3	Very high	96.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-44.6	177.9	0	0	0	0	0	111.7	E304 V408 M417 T418 R419 K424 A425 L426	E304-A422 HydrophobicContact CB-CB 3.96Å; V408-A422 HydrophobicContact CB-CB 4.41Å; V408-A422 HydrophobicContact CG1-CB 3.78Å; V408-A422 HydrophobicContact CG2-CB 3.7Å; M417-A422 HydrophobicContact CB-CB 4.18Å; T418-A422 WeakPolarHBondContact O-CB 2.92Å; T418-A422 PolarHBondContact O-N 2.98Å; R419-A422 PolarHBondContact O-N 3.39Å; A422-K424 VanDerWaalsContact C-N 3.34Å; A422-K424 PolarHBondContact O-N 2.93Å; A422-A425 PolarHBondContact O-N 3.16Å; A422-L426 VanDerWaalsContact O-CB 3.28Å; A422-L426 WeakPolarHBondContact O-CB 3.45Å; A422-L426 WeakPolarHBondContact O-CG 3.28Å; A422-L426 PolarHBondContact O-N 3.03Å
423	L	96.6	Very high	96.1	Very high	38 Å²	38	65.8 Å²	65.8	20%	0.199	33%	0.328	C	S	.	.	H	α-helix	trans	-53.4	-51.7	175.1	176.7	61.7	0	0	0	111	P303 E304 R419 A425 T427 L439	P303-L423 HydrophobicContact CB-CD1 3.7Å; P303-L423 HydrophobicContact CG-CD1 3.69Å; E304-L423 HydrophobicContact CB-CB 4.07Å; R419-L423 VanDerWaalsContact O-CB 3.3Å; R419-L423 WeakPolarHBondContact O-CB 2.9Å; R419-L423 PolarHBondContact O-N 3.34Å; L423-A425 PolarHBondContact O-N 2.6Å; L423-T427 HydrophobicContact CD1-CG2 3.98Å; L423-T427 WeakPolarHBondContact O-CB 3.4Å; L423-T427 VanDerWaalsContact O-CG2 3.27Å; L423-T427 WeakPolarHBondContact O-CG2 3.48Å; L423-T427 PolarHBondContact O-N 3.07Å; L423-T427 PolarHBondContact O-OG1 3.38Å; L423-L439 HydrophobicContact CD1-CD2 4.14Å
424	K	96.4	Very high	96	Very high	161 Å²	161	62.5 Å²	62.5	70%	0.7	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-43.5	-179.7	-175.7	179.3	178.4	-178.5	0	111.8	Q420 E421 A422 T427 Q428	Q420-K424 PolarHBondContact O-N 2.76Å; E421-K424 PolarHBondContact O-N 3.36Å; A422-K424 VanDerWaalsContact C-N 3.34Å; A422-K424 PolarHBondContact O-N 2.93Å; K424-T427 PolarHBondContact O-OG1 3.19Å; K424-Q428 VanDerWaalsContact O-CB 3.26Å; K424-Q428 WeakPolarHBondContact O-CB 3.4Å; K424-Q428 PolarHBondContact O-N 3.05Å; K424-Q428 VanDerWaalsContact O-N 3.12Å
425	A	96.9	Very high	95.9	Very high	31 Å²	31	62.7 Å²	62.7	26%	0.256	33%	0.33	S	S	.	.	H	α-helix	trans	-70.3	-44.1	-176.9	0	0	0	0	0	112.2	F414 M417 E421 A422 L423 Q428 Q429	F414-A425 HydrophobicContact CD1-CB 3.79Å; F414-A425 HydrophobicContact CE1-CB 3.55Å; M417-A425 HydrophobicContact SD-CB 4.33Å; E421-A425 WeakPolarHBondContact O-CB 3.24Å; E421-A425 PolarHBondContact O-N 3.14Å; A422-A425 PolarHBondContact O-N 3.16Å; L423-A425 PolarHBondContact O-N 2.6Å; A425-Q428 PolarHBondContact O-N 3.35Å; A425-Q429 WeakPolarHBondContact O-CB 3.45Å; A425-Q429 PolarHBondContact O-N 2.9Å
426	L	96.3	Very high	95.7	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-47.8	178.5	-82	160.9	0	0	0	112.2	I306 Y307 L351 F414 A422 Q428 Q429 A430	I306-L426 HydrophobicContact CG2-CD1 4.13Å; I306-L426 HydrophobicContact CG2-CD2 3.99Å; Y307-L426 HydrophobicContact CE2-CD2 4.21Å; L351-L426 HydrophobicContact CD2-CD2 3.75Å; L351-L426 HydrophobicContact CG-CD2 4.42Å; F414-L426 HydrophobicContact CD1-CG 4.12Å; F414-L426 HydrophobicContact CD2-CD1 4.36Å; F414-L426 HydrophobicContact CD2-CD2 3.59Å; F414-L426 HydrophobicContact CD2-CG 3.87Å; F414-L426 HydrophobicContact CE1-CD2 4.33Å; F414-L426 HydrophobicContact CE1-CG 4.05Å; F414-L426 HydrophobicContact CE2-CD2 3.24Å; F414-L426 HydrophobicContact CE2-CG 3.8Å; F414-L426 HydrophobicContact CG-CD1 4.41Å; F414-L426 HydrophobicContact CG-CD2 4.28Å; F414-L426 HydrophobicContact CG-CG 4.04Å; F414-L426 HydrophobicContact CZ-CD2 3.66Å; F414-L426 HydrophobicContact CZ-CG 3.88Å; A422-L426 VanDerWaalsContact O-CB 3.28Å; A422-L426 WeakPolarHBondContact O-CB 3.45Å; A422-L426 WeakPolarHBondContact O-CG 3.28Å; A422-L426 PolarHBondContact O-N 3.03Å; L426-Q428 VanDerWaalsContact C-N 3.32Å; L426-Q428 PolarHBondContact O-N 3.07Å; L426-Q429 PolarHBondContact O-N 3.36Å; L426-A430 WeakPolarHBondContact O-CB 3.17Å; L426-A430 PolarHBondContact O-N 3.27Å
427	T	96.3	Very high	95.6	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.08	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-41.7	177.8	51.1	0	0	0	0	111.2	P303 L423 K424 A430 K431 G437 L439	P303-T427 HydrophobicContact CB-CG2 4.37Å; L423-T427 HydrophobicContact CD1-CG2 3.98Å; L423-T427 WeakPolarHBondContact O-CB 3.4Å; L423-T427 VanDerWaalsContact O-CG2 3.27Å; L423-T427 WeakPolarHBondContact O-CG2 3.48Å; L423-T427 PolarHBondContact O-N 3.07Å; L423-T427 PolarHBondContact O-OG1 3.38Å; K424-T427 PolarHBondContact O-OG1 3.19Å; T427-A430 PolarHBondContact O-N 3.26Å; T427-K431 VanDerWaalsContact O-CG 3.28Å; T427-K431 WeakPolarHBondContact O-CG 3.4Å; T427-K431 PolarHBondContact O-N 3.4Å; T427-G437 VanDerWaalsContact CB-O 3.23Å; T427-G437 WeakPolarHBondContact CB-O 3.43Å; T427-G437 WeakPolarHBondContact CG2-O 3.49Å; T427-L439 HydrophobicContact CG2-CD2 4.05Å
428	Q	96.2	Very high	95.5	Very high	99 Å²	99	56.3 Å²	56.3	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-41.4	174.5	-171.3	62.3	58.9	0	0	112.4	K424 A425 L426 K431 N432	K424-Q428 VanDerWaalsContact O-CB 3.26Å; K424-Q428 WeakPolarHBondContact O-CB 3.4Å; K424-Q428 PolarHBondContact O-N 3.05Å; K424-Q428 VanDerWaalsContact O-N 3.12Å; A425-Q428 PolarHBondContact O-N 3.35Å; L426-Q428 VanDerWaalsContact C-N 3.32Å; L426-Q428 PolarHBondContact O-N 3.07Å; Q428-K431 PolarHBondContact O-N 3.24Å; Q428-N432 PolarHBondContact NE2-OD1 3.28Å; Q428-N432 WeakPolarHBondContact O-CB 3.31Å; Q428-N432 PolarHBondContact O-N 3.14Å; Q428-N432 PolarHBondContact O-ND2 3.11Å; Q428-N432 PolarHBondContact O-OD1 2.69Å
429	Q	96.7	Very high	95.5	Very high	42 Å²	42	56.4 Å²	56.4	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-41.4	177	-169.9	-175.7	54.1	0	0	111.7	L351 E413 A425 L426 N432 K433	L351-Q429 HydrophobicContact CD1-CB 4.2Å; L351-Q429 HydrophobicContact CD1-CG 3.99Å; E413-Q429 PolarHBondContact OE1-NE2 3.47Å; A425-Q429 WeakPolarHBondContact O-CB 3.45Å; A425-Q429 PolarHBondContact O-N 2.9Å; L426-Q429 PolarHBondContact O-N 3.36Å; Q429-N432 PolarHBondContact O-N 3.33Å; Q429-K433 WeakPolarHBondContact O-CG 3.28Å; Q429-K433 PolarHBondContact O-N 3.11Å; Q429-K433 VanDerWaalsContact O-N 3.1Å
430	A	96.1	Very high	95.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-43.5	175.8	0	0	0	0	0	112.2	L281 L351 L426 T427 K433 G434 I435 G436	L281-A430 HydrophobicContact CD2-CB 3.64Å; L351-A430 HydrophobicContact CD1-CB 4.12Å; L351-A430 HydrophobicContact CD2-CB 4.22Å; L426-A430 WeakPolarHBondContact O-CB 3.17Å; L426-A430 PolarHBondContact O-N 3.27Å; T427-A430 PolarHBondContact O-N 3.26Å; A430-K433 CarbonylContact O-C 3.56Å; A430-K433 PolarHBondContact O-N 3.5Å; A430-G434 PolarHBondContact O-N 3.31Å; A430-I435 HydrophobicContact CB-CG1 4.17Å; A430-I435 WeakPolarHBondContact O-CG1 3.2Å; A430-I435 PolarHBondContact O-N 3.35Å; A430-I435 VanDerWaalsContact O-N 3.13Å; A430-G436 CarbonylContact C-O 3.54Å; A430-G436 WeakPolarHBondContact CB-O 3.33Å
431	K	93.8	Very high	95.5	Very high	82 Å²	82	45.7 Å²	45.7	36%	0.357	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-46.7	174.7	-71.9	174	-171.9	-117.6	0	111.5	T427 Q428 K433 G434 G436 G437 D438	T427-K431 VanDerWaalsContact O-CG 3.28Å; T427-K431 WeakPolarHBondContact O-CG 3.4Å; T427-K431 PolarHBondContact O-N 3.4Å; Q428-K431 PolarHBondContact O-N 3.24Å; K431-K433 PolarHBondContact O-N 3.37Å; K431-G434 PolarHBondContact O-N 3.4Å; K431-G436 WeakPolarHBondContact CA-O 3.22Å; K431-G436 PolarHBondContact N-O 3.08Å; K431-G436 VanDerWaalsContact N-O 3.1Å; K431-G437 WeakPolarHBondContact CE-O 3.11Å; K431-D438 WeakPolarHBondContact CE-OD1 3.37Å; K431-D438 IonicContact NZ-OD1 2.86Å; K431-D438 PolarHBondContact NZ-OD1 2.9Å
432	N	94.1	Very high	95.2	Very high	122 Å²	122	41.4 Å²	41.4	65%	0.652	22%	0.222	S	C	*	.	H	α-helix	trans	-61.3	-31.6	178.5	-68.7	-6.9	0	0	0	112.7	Q428 Q429	Q428-N432 PolarHBondContact NE2-OD1 3.28Å; Q428-N432 WeakPolarHBondContact O-CB 3.31Å; Q428-N432 PolarHBondContact O-N 3.14Å; Q428-N432 PolarHBondContact O-ND2 3.11Å; Q428-N432 PolarHBondContact O-OD1 2.69Å; Q429-N432 PolarHBondContact O-N 3.33Å
433	K	93.8	Very high	94.8	Very high	102 Å²	102	45 Å²	45	44%	0.443	24%	0.237	S	C	.	.	H	α-helix	trans	-84.4	-8.6	175.8	-74.8	178.8	178.1	179.5	0	113.5	L351 Q429 A430 K431 I435	L351-K433 HydrophobicContact CD1-CD 4.28Å; L351-K433 PolarHBondContact O-NZ 2.84Å; Q429-K433 WeakPolarHBondContact O-CG 3.28Å; Q429-K433 PolarHBondContact O-N 3.11Å; Q429-K433 VanDerWaalsContact O-N 3.1Å; A430-K433 CarbonylContact O-C 3.56Å; A430-K433 PolarHBondContact O-N 3.5Å; K431-K433 PolarHBondContact O-N 3.37Å; K433-I435 HydrophobicContact CB-CD1 3.9Å; K433-I435 HydrophobicContact CB-CG1 3.76Å; K433-I435 HydrophobicContact CB-CG2 4.43Å; K433-I435 HydrophobicContact CD-CD1 3.92Å
434	G	91.5	Very high	94.6	Very high	61 Å²	61	43.9 Å²	43.9	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	32.7	-178.1	0	0	0	0	0	114	A430 K431	A430-G434 PolarHBondContact O-N 3.31Å; K431-G434 PolarHBondContact O-N 3.4Å
435	I	93.9	Very high	94.2	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.067	21%	0.214	C	C	.	.	S	Bend	trans	-120.1	21.6	-174	58	172.1	0	0	0	112.9	L281 D282 L350 L351 A430 K433	L281-I435 WeakPolarHBondContact CA-O 3.34Å; D282-I435 HydrophobicContact CB-CB 4.19Å; D282-I435 PolarHBondContact N-O 3.09Å; L350-I435 HydrophobicContact CB-CB 4.26Å; L350-I435 HydrophobicContact CB-CD1 3.93Å; L350-I435 HydrophobicContact CB-CG2 3.83Å; L350-I435 HydrophobicContact CD1-CG2 3.93Å; L350-I435 WeakPolarHBondContact O-CD1 3.38Å; L351-I435 HydrophobicContact CB-CD1 3.7Å; L351-I435 HydrophobicContact CD1-CD1 4.08Å; A430-I435 HydrophobicContact CB-CG1 4.17Å; A430-I435 WeakPolarHBondContact O-CG1 3.2Å; A430-I435 PolarHBondContact O-N 3.35Å; A430-I435 VanDerWaalsContact O-N 3.13Å; K433-I435 HydrophobicContact CB-CD1 3.9Å; K433-I435 HydrophobicContact CB-CG1 3.76Å; K433-I435 HydrophobicContact CB-CG2 4.43Å; K433-I435 HydrophobicContact CD-CD1 3.92Å
436	G	93.8	Very high	94	Very high	8 Å²	8	40 Å²	40	8%	0.082	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.8	-148.2	-177	0	0	0	0	0	112.9	S280 A430 K431	S280-G436 WeakPolarHBondContact O-CA 3.45Å; A430-G436 CarbonylContact C-O 3.54Å; A430-G436 WeakPolarHBondContact CB-O 3.33Å; K431-G436 WeakPolarHBondContact CA-O 3.22Å; K431-G436 PolarHBondContact N-O 3.08Å; K431-G436 VanDerWaalsContact N-O 3.1Å
437	G	95.2	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.6	3.7	-177.5	0	0	0	0	0	115	S280 T427 K431 L439	S280-G437 PolarHBondContact O-N 2.69Å; T427-G437 VanDerWaalsContact CB-O 3.23Å; T427-G437 WeakPolarHBondContact CB-O 3.43Å; T427-G437 WeakPolarHBondContact CG2-O 3.49Å; K431-G437 WeakPolarHBondContact CE-O 3.11Å; G437-L439 PolarHBondContact O-N 3.18Å
438	D	95.9	Very high	93.6	Very high	33 Å²	33	39.9 Å²	39.9	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.2	170.9	-61.1	-57.4	0	0	0	110.5	A247 C279 K431 T440	A247-D438 HydrophobicContact CB-CB 4.41Å; C279-D438 WeakPolarHBondContact CB-O 3.49Å; K431-D438 WeakPolarHBondContact CE-OD1 3.37Å; K431-D438 IonicContact NZ-OD1 2.86Å; K431-D438 PolarHBondContact NZ-OD1 2.9Å; D438-T440 PolarHBondContact O-N 3.02Å
439	L	97.1	Very high	93.5	Very high	35 Å²	35	35.1 Å²	35.1	18%	0.183	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	123.5	177.2	-69.3	-179.4	0	0	0	110.1	K250 G278 L423 T427 G437	K250-L439 HydrophobicContact CB-CB 3.88Å; K250-L439 WeakPolarHBondContact CB-O 3.36Å; K250-L439 HydrophobicContact CG-CB 4.16Å; K250-L439 HydrophobicContact CG-CD1 4.44Å; K250-L439 PolarHBondContact N-O 3.33Å; G278-L439 CarbonylContact O-C 3.6Å; G278-L439 VanDerWaalsContact O-CA 3.28Å; G278-L439 WeakPolarHBondContact O-CA 3.42Å; L423-L439 HydrophobicContact CD1-CD2 4.14Å; T427-L439 HydrophobicContact CG2-CD2 4.05Å; G437-L439 PolarHBondContact O-N 3.18Å
440	T	95.8	Very high	93.3	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	168.4	-177.5	-173.3	0	0	0	0	109.4	A249 G278 Y299 D438	A249-T440 WeakPolarHBondContact CB-OG1 3.42Å; G278-T440 CarbonylContact C-O 3.58Å; G278-T440 PolarHBondContact N-O 3.27Å; G278-T440 PolarHBondContact O-N 3.31Å; Y299-T440 HydrophobicContact CE2-CG2 4.07Å; Y299-T440 PolarHBondContact OH-O 3Å; D438-T440 PolarHBondContact O-N 3.02Å
441	S	94.4	Very high	92.9	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.021	18%	0.176	C	C	.	.			trans	-87.4	169.9	169.3	80.1	0	0	0	0	111.7	I273 D275 K443 L444	I273-S441 WeakPolarHBondContact O-CB 3.35Å; I273-S441 PolarHBondContact O-OG 2.7Å; D275-S441 WeakPolarHBondContact O-CA 3.47Å; D275-S441 WeakPolarHBondContact O-CB 3.31Å; S441-K443 WeakPolarHBondContact OG-CB 3.2Å; S441-K443 PolarHBondContact OG-N 2.97Å; S441-L444 PolarHBondContact OG-N 3.38Å; S441-L444 VanDerWaalsContact OG-N 3.07Å
442	D	90.9	Very high	92.7	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.102	16%	0.162	C	C	.	.	S	Bend	trans	-79.3	-3	168.5	63.6	-22.1	0	0	0	113.8	Y299 Y301 N368 L370	Y299-D442 HydrophobicContact CD1-CB 4.34Å; Y299-D442 HydrophobicContact CE1-CB 3.88Å; Y299-D442 PolarHBondContact OH-N 2.8Å; Y301-D442 HydrophobicContact CE1-CB 4.06Å; Y301-D442 WeakPolarHBondContact CE1-OD2 3.44Å; Y301-D442 PolarHBondContact OH-OD2 3.48Å; N368-D442 WeakPolarHBondContact CB-O 3.4Å; N368-D442 PolarHBondContact ND2-OD1 2.81Å; N368-D442 PolarHBondContact ND2-OD2 3.45Å; L370-D442 HydrophobicContact CD1-CB 3.69Å; L370-D442 HydrophobicContact CD2-CB 4.2Å; L370-D442 HydrophobicContact CG-CB 3.89Å
443	K	90.3	Very high	92.3	Very high	75 Å²	75	25.2 Å²	25.2	33%	0.326	13%	0.134	S	C	.	.	S	Bend	trans	-95	-39.3	177.3	-68.9	-179.9	176.7	-177	0	113	N368 F369 S441 R445	N368-K443 HydrophobicContact CB-CG 3.94Å; N368-K443 VanDerWaalsContact CG-CG 3.41Å; N368-K443 WeakPolarHBondContact OD1-CE 3.36Å; N368-K443 WeakPolarHBondContact OD1-CG 3.22Å; F369-K443 WeakPolarHBondContact CD2-O 3.42Å; S441-K443 WeakPolarHBondContact OG-CB 3.2Å; S441-K443 PolarHBondContact OG-N 2.97Å; K443-R445 PolarHBondContact O-N 2.83Å
444	L	90.9	Very high	92.1	Very high	15 Å²	15	20.6 Å²	20.6	8%	0.079	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-73.1	129.9	-173.1	-174.7	65.3	0	0	0	110.4	T246 A249 S441 F569	T246-L444 HydrophobicContact CG2-CB 4.32Å; T246-L444 HydrophobicContact CG2-CD2 4.12Å; T246-L444 HydrophobicContact CG2-CG 4.05Å; A249-L444 HydrophobicContact CB-CD2 3.59Å; S441-L444 PolarHBondContact OG-N 3.38Å; S441-L444 VanDerWaalsContact OG-N 3.07Å; L444-F569 HydrophobicContact CD1-CE1 4.4Å; L444-F569 HydrophobicContact CD1-CZ 3.88Å; L444-F569 HydrophobicContact CD2-CZ 4.1Å
445	R	88.3	Confident	92.1	Very high	89 Å²	89	18.4 Å²	18.4	34%	0.336	9%	0.087	S	C	.	.	P	Polyproline II helix	trans	-102.3	148.1	173.4	-69	178.6	170.1	-161.1	-13.5	110.4	N217 T245 F369 K443	N217-R445 WeakPolarHBondContact ND2-CD 3.44Å; N217-R445 PolarHBondContact OD1-NH1 3.32Å; T245-R445 PolarHBondContact OG1-O 2.9Å; F369-R445 HydrophobicContact CB-CG 4.22Å; F369-R445 VanDerWaalsContact CD1-NE 3.34Å; F369-R445 HydrophobicContact CD2-CG 4.35Å; F369-R445 HydrophobicContact CG-CG 4.38Å; K443-R445 PolarHBondContact O-N 2.83Å
446	D	91.9	Very high	92.1	Very high	21 Å²	21	17.9 Å²	17.9	11%	0.112	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-63.9	145.4	167.5	-72.7	-22.9	0	0	0	110.8	Y199 F242 I243 K244 T245 T246 L448	Y199-D446 HydrophobicContact CE1-CB 4.49Å; Y199-D446 WeakPolarHBondContact CE1-OD2 3.42Å; Y199-D446 PolarHBondContact OH-OD2 3.34Å; F242-D446 HydrophobicContact CB-CB 4.33Å; F242-D446 HydrophobicContact CD1-CB 4.28Å; I243-D446 WeakPolarHBondContact O-CB 3.33Å; K244-D446 VanDerWaalsContact CA-OD1 3.27Å; K244-D446 WeakPolarHBondContact CA-OD1 3.35Å; T245-D446 PolarHBondContact N-OD1 2.87Å; T246-D446 WeakPolarHBondContact CB-OD1 3.47Å; T246-D446 WeakPolarHBondContact CG2-OD1 3.31Å; T246-D446 PolarHBondContact N-OD1 2.88Å; T246-D446 PolarHBondContact OG1-OD1 2.78Å; D446-L448 PolarHBondContact O-N 3.3Å
447	W	93.3	Very high	92.3	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.3	-172.5	174.5	19.5	0	0	0	111.4	F242 I243 T245 I449 F523 V524 A527 Y570 F574	F242-W447 CarbonylContact C-O 3.49Å; F242-W447 WeakPolarHBondContact CA-O 3.47Å; I243-W447 HydrophobicContact CB-CB 4.34Å; I243-W447 HydrophobicContact CB-CE3 4.31Å; I243-W447 HydrophobicContact CD1-CD2 4.36Å; I243-W447 HydrophobicContact CD1-CE3 3.75Å; I243-W447 HydrophobicContact CD1-CZ3 3.93Å; I243-W447 PolarHBondContact N-O 3.16Å; I243-W447 PolarHBondContact O-N 3.3Å; T245-W447 HydrophobicContact CG2-CB 3.75Å; T245-W447 HydrophobicContact CG2-CE3 4.2Å; W447-I449 HydrophobicContact CD2-CG2 3.69Å; W447-I449 HydrophobicContact CE3-CG2 4.35Å; W447-I449 HydrophobicContact CG-CG2 3.88Å; W447-I449 HydrophobicContact CZ2-CG2 4.06Å; W447-I449 PolarHBondContact O-N 3.14Å; W447-F523 HydrophobicContact CH2-CB 4.12Å; W447-F523 HydrophobicContact CZ2-CB 3.57Å; W447-V524 HydrophobicContact CH2-CB 4.2Å; W447-V524 HydrophobicContact CH2-CG2 3.69Å; W447-V524 HydrophobicContact CZ2-CB 4.36Å; W447-V524 HydrophobicContact CZ2-CG2 3.5Å; W447-A527 HydrophobicContact CH2-CB 4.33Å; W447-Y570 HydrophobicContact CB-CE1 4.03Å; W447-Y570 AromaticContact CD1-CE1 4Å; W447-Y570 AromaticContact CD1-CZ 3.84Å; W447-Y570 AromaticContact CD2-CD1 3.64Å; W447-Y570 HydrophobicContact CD2-CD1 3.64Å; W447-Y570 AromaticContact CD2-CE1 3.49Å; W447-Y570 HydrophobicContact CD2-CE1 3.49Å; W447-Y570 VanDerWaalsContact CD2-CE1 3.49Å; W447-Y570 HydrophobicContact CD2-CE2 4.41Å; W447-Y570 HydrophobicContact CD2-CG 4.21Å; W447-Y570 AromaticContact CD2-CZ 3.9Å; W447-Y570 AromaticContact CE2-CE1 3.91Å; W447-Y570 AromaticContact CE2-CE2 3.97Å; W447-Y570 AromaticContact CE2-CZ 3.84Å; W447-Y570 AromaticContact CE3-CD1 3.4Å; W447-Y570 HydrophobicContact CE3-CD1 3.4Å; W447-Y570 AromaticContact CE3-CE1 3.76Å; W447-Y570 HydrophobicContact CE3-CE1 3.76Å; W447-Y570 AromaticContact CE3-CG 3.93Å; W447-Y570 HydrophobicContact CE3-CG 3.93Å; W447-Y570 HydrophobicContact CG-CD1 4.23Å; W447-Y570 AromaticContact CG-CE1 3.61Å; W447-Y570 HydrophobicContact CG-CE1 3.61Å; W447-Y570 AromaticContact CG-CZ 3.94Å; W447-Y570 HydrophobicContact CH2-CD1 4.08Å; W447-Y570 HydrophobicContact CH2-CD2 4.02Å; W447-Y570 AromaticContact CH2-CG 3.72Å; W447-Y570 HydrophobicContact CH2-CG 3.72Å; W447-Y570 HydrophobicContact CZ2-CD1 4.34Å; W447-Y570 AromaticContact CZ2-CD2 3.96Å; W447-Y570 HydrophobicContact CZ2-CD2 3.96Å; W447-Y570 HydrophobicContact CZ2-CE2 4.13Å; W447-Y570 HydrophobicContact CZ2-CG 4.06Å; W447-Y570 AromaticContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD2 4.38Å; W447-Y570 HydrophobicContact CZ3-CE1 4.34Å; W447-Y570 AromaticContact CZ3-CG 3.65Å; W447-Y570 HydrophobicContact CZ3-CG 3.65Å; W447-Y570 AromaticContact NE1-CZ 3.8Å; W447-F574 HydrophobicContact CH2-CE2 4.31Å; W447-F574 HydrophobicContact CZ3-CD2 4.34Å; W447-F574 AromaticContact CZ3-CE2 3.83Å; W447-F574 HydrophobicContact CZ3-CE2 3.83Å
448	L	93	Very high	92.4	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.063	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.3	174.5	-164.2	167.8	0	0	0	110.7	V205 V214 Q240 F242 D446 S450 R451	V205-L448 HydrophobicContact CB-CD1 4.06Å; V205-L448 HydrophobicContact CG1-CD1 3.49Å; V205-L448 VanDerWaalsContact CG1-CD1 3.49Å; V214-L448 HydrophobicContact CB-CD2 4.45Å; V214-L448 HydrophobicContact CG1-CD1 3.57Å; V214-L448 HydrophobicContact CG1-CD2 3.57Å; V214-L448 HydrophobicContact CG1-CG 4.26Å; Q240-L448 HydrophobicContact CB-CD1 4.43Å; Q240-L448 HydrophobicContact CB-CD2 4.32Å; Q240-L448 HydrophobicContact CB-CG 4.25Å; F242-L448 HydrophobicContact CD1-CB 3.9Å; F242-L448 HydrophobicContact CD1-CG 4.28Å; F242-L448 HydrophobicContact CE1-CB 3.57Å; F242-L448 HydrophobicContact CE1-CD1 3.85Å; F242-L448 HydrophobicContact CE1-CG 3.7Å; F242-L448 HydrophobicContact CE2-CG 4.44Å; F242-L448 HydrophobicContact CZ-CB 4.2Å; F242-L448 HydrophobicContact CZ-CD1 3.71Å; F242-L448 HydrophobicContact CZ-CG 3.79Å; D446-L448 PolarHBondContact O-N 3.3Å; L448-S450 WeakPolarHBondContact CD2-O 3.49Å; L448-R451 VanDerWaalsContact CD2-NH1 3.34Å; L448-R451 PolarHBondContact O-NH1 3.26Å; L448-R451 PolarHBondContact O-NH2 2.84Å
449	I	93.7	Very high	92.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.073	C	C	.	.			trans	-103.9	-17.7	-174.1	56.5	163.1	0	0	0	114.7	F189 W241 I243 W447 M520 D521 V524	F189-I449 HydrophobicContact CD2-CD1 3.93Å; F189-I449 HydrophobicContact CE2-CD1 3.67Å; W241-I449 HydrophobicContact CB-CD1 4.22Å; W241-I449 HydrophobicContact CB-CG1 3.9Å; W241-I449 WeakPolarHBondContact O-CG1 3.35Å; W241-I449 PolarHBondContact O-N 3.47Å; I243-I449 HydrophobicContact CD1-CD1 4.18Å; I243-I449 HydrophobicContact CD1-CG2 3.72Å; I243-I449 HydrophobicContact CG1-CD1 3.93Å; I243-I449 HydrophobicContact CG1-CG1 4.4Å; I243-I449 HydrophobicContact CG1-CG2 3.92Å; W447-I449 HydrophobicContact CD2-CG2 3.69Å; W447-I449 HydrophobicContact CE3-CG2 4.35Å; W447-I449 HydrophobicContact CG-CG2 3.88Å; W447-I449 HydrophobicContact CZ2-CG2 4.06Å; W447-I449 PolarHBondContact O-N 3.14Å; I449-M520 CarbonylContact O-C 3.52Å; I449-M520 WeakPolarHBondContact O-CA 3.39Å; I449-D521 PolarHBondContact O-N 3.13Å; I449-V524 HydrophobicContact CB-CG2 4.08Å; I449-V524 HydrophobicContact CG2-CG2 3.62Å
450	S	91.9	Very high	92.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.8	177.5	-86.8	0	0	0	0	112.8	W241 L448 D518	W241-S450 PolarHBondContact N-OG 3.28Å; L448-S450 WeakPolarHBondContact CD2-O 3.49Å; S450-D518 WeakPolarHBondContact CB-OD2 3.43Å; S450-D518 PolarHBondContact OG-OD2 2.96Å
451	R	88.4	Confident	92.7	Very high	7 Å²	7	14.2 Å²	14.2	3%	0.026	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.3	170.8	-59.8	-64.8	176	-93.3	2.8	109.9	V214 L448 R453 D518 T519 D521	V214-R451 WeakPolarHBondContact O-CD 3.37Å; L448-R451 VanDerWaalsContact CD2-NH1 3.34Å; L448-R451 PolarHBondContact O-NH1 3.26Å; L448-R451 PolarHBondContact O-NH2 2.84Å; R451-R453 HydrophobicContact CB-CB 4.31Å; R451-R453 HydrophobicContact CB-CG 4.19Å; R451-R453 PolarHBondContact O-N 3.21Å; R451-D518 WeakPolarHBondContact O-CA 3.4Å; R451-T519 PolarHBondContact N-O 3.05Å; R451-T519 PolarHBondContact O-N 3.31Å; R451-T519 PolarHBondContact O-OG1 3.35Å; R451-D521 HydrophobicContact CG-CB 4.15Å; R451-D521 IonicContact CZ-OD2 2.85Å; R451-D521 IonicContact NE-OD2 3.24Å; R451-D521 PolarHBondContact NE-OD2 2.85Å; R451-D521 IonicContact NH2-OD2 3.86Å; R451-D521 PolarHBondContact NH2-OD2 3.25Å
452	Q	88.1	Confident	92.9	Very high	17 Å²	17	14.2 Å²	14.2	8%	0.079	6%	0.063	C	C	.	.	S	Bend	trans	-82.8	50.3	179.1	-66.4	67.8	51.2	0	0	110.6	V214 Q240 D518	V214-Q452 VanDerWaalsContact CG2-OE1 3.31Å; V214-Q452 VanDerWaalsContact N-OE1 3.16Å; Q240-Q452 VanDerWaalsContact NE2-NE2 3.15Å; Q452-D518 WeakPolarHBondContact CG-OD1 3.29Å; Q452-D518 PolarHBondContact NE2-OD1 2.84Å; Q452-D518 PolarHBondContact NE2-OD2 2.79Å
453	R	86.2	Confident	93.2	Very high	13 Å²	13	16 Å²	16	5%	0.049	7%	0.07	C	C	.	.			trans	-131.7	154.1	-167.5	-60	-62.4	-65.1	-122.6	-10.5	110.1	L133 E136 N137 D211 R451 T519	L133-R453 HydrophobicContact CD2-CG 3.77Å; L133-R453 VanDerWaalsContact CD2-NH1 3.31Å; E136-R453 IonicContact OE1-NE 3.54Å; E136-R453 IonicContact OE2-CZ 2.94Å; E136-R453 IonicContact OE2-NE 3.98Å; E136-R453 PolarHBondContact OE2-NE 2.61Å; E136-R453 IonicContact OE2-NH2 3.37Å; E136-R453 PolarHBondContact OE2-NH2 3.13Å; N137-R453 PolarHBondContact OD1-NH2 3.05Å; D211-R453 PolarHBondContact O-NH1 3.25Å; R451-R453 HydrophobicContact CB-CB 4.31Å; R451-R453 HydrophobicContact CB-CG 4.19Å; R451-R453 PolarHBondContact O-N 3.21Å; R453-T519 VanDerWaalsContact O-CG2 3.28Å; R453-T519 WeakPolarHBondContact O-CG2 3.41Å; R453-T519 PolarHBondContact O-OG1 3.1Å
454	Y	89.3	Confident	93.5	Very high	6 Å²	6	12.7 Å²	12.7	2%	0.024	6%	0.057	C	C	.	.	S	Bend	trans	-82.6	-45.3	-178.4	166	-102.9	0	0	0	111.9	E136 P146 G456 L481 P482 I484 F487 L495	E136-Y454 WeakPolarHBondContact OE1-CB 3.29Å; E136-Y454 PolarHBondContact OE1-N 2.91Å; E136-Y454 VanDerWaalsContact OE1-N 3.11Å; P146-Y454 HydrophobicContact CG-CD1 4.47Å; Y454-G456 VanDerWaalsContact C-N 3.34Å; Y454-G456 PolarHBondContact O-N 3.25Å; Y454-L481 HydrophobicContact CD2-CD2 4.34Å; Y454-L481 HydrophobicContact CE2-CD2 4.24Å; Y454-L481 VanDerWaalsContact O-CD2 3.24Å; Y454-L481 WeakPolarHBondContact O-CD2 3.41Å; Y454-P482 VanDerWaalsContact CE2-O 3.22Å; Y454-P482 WeakPolarHBondContact CE2-O 3.31Å; Y454-P482 PolarHBondContact OH-O 3.33Å; Y454-I484 HydrophobicContact CD2-CD1 3.57Å; Y454-I484 HydrophobicContact CD2-CG1 4.29Å; Y454-I484 HydrophobicContact CE2-CB 4.34Å; Y454-I484 HydrophobicContact CE2-CD1 3.59Å; Y454-I484 HydrophobicContact CE2-CG1 3.81Å; Y454-F487 HydrophobicContact CD1-CD1 4.13Å; Y454-F487 AromaticContact CD1-CE1 3.28Å; Y454-F487 HydrophobicContact CD1-CE1 3.28Å; Y454-F487 AromaticContact CD1-CZ 3.97Å; Y454-F487 HydrophobicContact CD1-CZ 3.97Å; Y454-F487 HydrophobicContact CD2-CE1 4.37Å; Y454-F487 AromaticContact CE1-CE1 3.48Å; Y454-F487 HydrophobicContact CE1-CE1 3.48Å; Y454-F487 VanDerWaalsContact CE1-CE1 3.48Å; Y454-F487 AromaticContact CE1-CZ 3.69Å; Y454-F487 HydrophobicContact CE1-CZ 3.69Å; Y454-F487 HydrophobicContact CG-CD1 4.45Å; Y454-F487 AromaticContact CG-CE1 3.76Å; Y454-F487 HydrophobicContact CG-CE1 3.76Å; Y454-L495 HydrophobicContact CD2-CD2 3.76Å; Y454-L495 HydrophobicContact CD2-CG 4.28Å; Y454-L495 HydrophobicContact CE2-CD2 4.14Å
455	W	92	Very high	93.7	Very high	15 Å²	15	21.6 Å²	21.6	6%	0.057	10%	0.098	C	C	.	.	S	Bend	trans	-85.1	71.1	-170.6	-161	-114.6	0	0	0	113	A130 F131 G132 E136 P146 A147 C177 L481	A130-W455 PolarHBondContact O-NE1 3.18Å; F131-W455 AromaticContact CD1-CD1 3.92Å; F131-W455 AromaticContact CD1-CD2 3.94Å; F131-W455 HydrophobicContact CD1-CD2 3.94Å; F131-W455 AromaticContact CD1-CE2 3.83Å; F131-W455 HydrophobicContact CD1-CG 4.02Å; F131-W455 HydrophobicContact CD1-CZ2 4.35Å; F131-W455 AromaticContact CD1-NE1 3.81Å; F131-W455 AromaticContact CE1-CD2 3.99Å; F131-W455 HydrophobicContact CE1-CD2 3.99Å; F131-W455 HydrophobicContact CE1-CE3 4.17Å; F131-W455 HydrophobicContact CE1-CG 4.47Å; F131-W455 HydrophobicContact CE1-CH2 4.32Å; F131-W455 HydrophobicContact CE1-CZ2 4.19Å; F131-W455 HydrophobicContact CE1-CZ3 4.34Å; G132-W455 WeakPolarHBondContact CA-O 3.49Å; G132-W455 PolarHBondContact N-O 2.84Å; E136-W455 HydrophobicContact CB-CB 3.8Å; E136-W455 HydrophobicContact CB-CG 4.49Å; E136-W455 HydrophobicContact CG-CB 3.87Å; E136-W455 PolarHBondContact OE1-N 3.35Å; P146-W455 HydrophobicContact CB-CB 4.1Å; P146-W455 HydrophobicContact CB-CD2 3.46Å; P146-W455 VanDerWaalsContact CB-CD2 3.46Å; P146-W455 HydrophobicContact CB-CE3 3.72Å; P146-W455 HydrophobicContact CB-CG 3.63Å; P146-W455 HydrophobicContact CB-CZ3 4.41Å; A147-W455 HydrophobicContact CB-CH2 3.35Å; A147-W455 HydrophobicContact CB-CZ2 4.17Å; A147-W455 HydrophobicContact CB-CZ3 3.77Å; C177-W455 HydrophobicContact CB-CH2 4.41Å; C177-W455 HydrophobicContact CB-CZ2 3.75Å; W455-L481 HydrophobicContact CE3-CD1 4.18Å; W455-L481 HydrophobicContact CZ3-CD1 4.25Å
456	G	94.4	Very high	94.1	Very high	1 Å²	1	23 Å²	23	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	-158.9	170.8	176	0	0	0	0	0	112.2	Y454 P458 T519	Y454-G456 VanDerWaalsContact C-N 3.34Å; Y454-G456 PolarHBondContact O-N 3.25Å; G456-P458 VanDerWaalsContact O-CD 3.28Å; G456-P458 WeakPolarHBondContact O-CD 3.41Å; G456-T519 VanDerWaalsContact O-CG2 3.29Å; G456-T519 WeakPolarHBondContact O-CG2 3.34Å
457	T	97.6	Very high	94.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-63.9	120.2	178.1	-65.5	0	0	0	0	110.7	F131 Y182 T185 Q186 I459 T519 M520 D525	F131-T457 WeakPolarHBondContact CD2-OG1 3.11Å; F131-T457 WeakPolarHBondContact CE2-OG1 3.34Å; Y182-T457 WeakPolarHBondContact CB-OG1 3.47Å; Y182-T457 HydrophobicContact CD2-CG2 4.32Å; Y182-T457 HydrophobicContact CG-CG2 4.45Å; T185-T457 HydrophobicContact CG2-CG2 4.1Å; Q186-T457 HydrophobicContact CG-CG2 3.73Å; T457-I459 PolarHBondContact O-N 2.82Å; T457-T519 CarbonylContact O-C 3.55Å; T457-T519 WeakPolarHBondContact O-CA 3.48Å; T457-M520 HydrophobicContact CG2-CE 4.26Å; T457-M520 HydrophobicContact CG2-SD 4.19Å; T457-M520 PolarHBondContact O-N 3.14Å; T457-D525 PolarHBondContact OG1-OD1 3.29Å; T457-D525 VanDerWaalsContact OG1-OD1 3.11Å; T457-D525 PolarHBondContact OG1-OD2 3.21Å; T457-D525 VanDerWaalsContact OG1-OD2 3.05Å
458	P	98	Very high	94.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-61.3	135.9	177.7	-26.5	37	0	0	0	111.8	Q186 G456 P460 V479 L481 W501	Q186-P458 WeakPolarHBondContact CG-O 3.38Å; Q186-P458 PolarHBondContact NE2-O 3.2Å; G456-P458 VanDerWaalsContact O-CD 3.28Å; G456-P458 WeakPolarHBondContact O-CD 3.41Å; P458-P460 WeakPolarHBondContact O-CD 3.32Å; P458-V479 HydrophobicContact CB-CB 4.29Å; P458-V479 HydrophobicContact CB-CG1 4.02Å; P458-V479 WeakPolarHBondContact CG-O 3.14Å; P458-L481 HydrophobicContact CG-CD2 3.69Å; P458-L481 HydrophobicContact CG-CG 3.79Å; P458-W501 HydrophobicContact CB-CH2 4.47Å; P458-W501 HydrophobicContact CB-CZ2 4.21Å; P458-W501 HydrophobicContact CG-CZ2 4.45Å
459	I	98.5	Very high	94.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-71	122	174.7	-66.6	175.4	0	0	0	108.9	F189 W241 T457 V461 E516 D518 M520	F189-I459 HydrophobicContact CE1-CG2 4.01Å; F189-I459 HydrophobicContact CE2-CG2 3.91Å; F189-I459 HydrophobicContact CZ-CG2 3.47Å; F189-I459 VanDerWaalsContact CZ-CG2 3.47Å; W241-I459 HydrophobicContact CB-CD1 4.26Å; W241-I459 HydrophobicContact CG-CD1 4.03Å; T457-I459 PolarHBondContact O-N 2.82Å; I459-V461 HydrophobicContact CG2-CB 4.2Å; I459-V461 HydrophobicContact CG2-CG2 3.93Å; I459-V461 PolarHBondContact O-N 3.5Å; I459-E516 HydrophobicContact CB-CB 4.18Å; I459-E516 HydrophobicContact CB-CG 3.67Å; I459-E516 HydrophobicContact CD1-CG 4.21Å; I459-E516 HydrophobicContact CG1-CG 4.46Å; I459-E516 HydrophobicContact CG2-CB 4.25Å; I459-E516 HydrophobicContact CG2-CG 3.85Å; I459-D518 HydrophobicContact CD1-CB 3.9Å; I459-D518 PolarHBondContact N-O 2.96Å; I459-M520 HydrophobicContact CB-CE 4.45Å; I459-M520 HydrophobicContact CD1-CG 4.43Å; I459-M520 HydrophobicContact CG1-CE 4.13Å; I459-M520 HydrophobicContact CG1-CG 3.62Å
460	P	98.3	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.			trans	-81.8	57.8	-171.6	35.2	-38	0	0	0	111.9	Q186 F189 L190 P458 V472 L477 V479 M520	Q186-P460 HydrophobicContact CB-CB 4.19Å; Q186-P460 HydrophobicContact CB-CG 3.93Å; Q186-P460 HydrophobicContact CG-CB 4.31Å; Q186-P460 HydrophobicContact CG-CG 4.19Å; F189-P460 HydrophobicContact CB-CG 4.48Å; F189-P460 HydrophobicContact CD1-CG 3.58Å; F189-P460 HydrophobicContact CE1-CG 4.14Å; F189-P460 HydrophobicContact CG-CG 4.25Å; L190-P460 HydrophobicContact CD2-CB 4.21Å; L190-P460 HydrophobicContact CD2-CG 3.75Å; L190-P460 HydrophobicContact CG-CB 4.44Å; L190-P460 HydrophobicContact CG-CG 3.93Å; P458-P460 WeakPolarHBondContact O-CD 3.32Å; P460-V472 HydrophobicContact CB-CB 4.17Å; P460-V472 HydrophobicContact CB-CG2 4.38Å; P460-V472 WeakPolarHBondContact O-CG2 3.49Å; P460-V472 PolarHBondContact O-N 2.81Å; P460-L477 HydrophobicContact CB-CD2 3.87Å; P460-V479 HydrophobicContact CB-CG2 4.29Å; P460-M520 VanDerWaalsContact CD-CE 3.41Å; P460-M520 HydrophobicContact CG-CE 4.45Å
461	V	98.4	Very high	94.9	Very high	1 Å²	1	28 Å²	28	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.1	179.8	177.9	0	0	0	0	110.8	F189 W241 I459 A469 E516	F189-V461 HydrophobicContact CE1-CG2 3.74Å; F189-V461 HydrophobicContact CZ-CG2 4.11Å; W241-V461 HydrophobicContact CH2-CB 4.42Å; W241-V461 HydrophobicContact CH2-CG1 4.04Å; W241-V461 HydrophobicContact CH2-CG2 3.89Å; W241-V461 HydrophobicContact CZ2-CB 4.04Å; W241-V461 HydrophobicContact CZ2-CG1 3.75Å; W241-V461 HydrophobicContact CZ2-CG2 3.91Å; I459-V461 HydrophobicContact CG2-CB 4.2Å; I459-V461 HydrophobicContact CG2-CG2 3.93Å; I459-V461 PolarHBondContact O-N 3.5Å; V461-A469 HydrophobicContact CG1-CB 3.88Å; V461-E516 HydrophobicContact CB-CB 4.36Å; V461-E516 PolarHBondContact O-N 3.25Å
462	V	97.9	Very high	95.3	Very high	3 Å²	3	28 Å²	28	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.8	174.2	173.3	0	0	0	0	109.5	V470 V472 C504 A513 R514 R515	V462-V470 PolarHBondContact N-O 3.12Å; V462-V470 PolarHBondContact O-N 3.26Å; V462-V472 HydrophobicContact CG2-CG2 4.02Å; V462-C504 VanDerWaalsContact CG1-SG 3.59Å; V462-A513 HydrophobicContact CG1-CB 3.29Å; V462-R514 CarbonylContact C-O 3.56Å; V462-R514 WeakPolarHBondContact CA-O 3.33Å; V462-R515 HydrophobicContact CG2-CG 4.44Å
463	H	97.4	Very high	95.8	Very high	55 Å²	55	28.8 Å²	28.8	26%	0.255	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.5	175.5	-63.4	-67.1	0	0	0	110.6	A513 R514 E516	H463-A513 WeakPolarHBondContact O-CA 3.32Å; H463-A513 WeakPolarHBondContact O-CB 3.16Å; H463-R514 PolarHBondContact N-O 3.49Å; H463-R514 PolarHBondContact O-N 2.86Å; H463-E516 IonicContact CD2-OE2 3.89Å; H463-E516 IonicContact CE1-OE2 3.49Å; H463-E516 PolarHBondContact CE1-OE2 2.94Å; H463-E516 IonicContact NE2-OE2 2.74Å; H463-E516 PolarHBondContact NE2-OE2 3.34Å
464	C	96.9	Very high	96.4	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.3	175.5	177.1	0	0	0	0	110.1	T466 C467 G468 C506 A513	C464-T466 PolarHBondContact O-N 3.29Å; C464-T466 PolarHBondContact SG-N 2.84Å; C464-C467 HydrophobicContact CB-CB 3.96Å; C464-C467 PolarHBondContact SG-N 2.72Å; C464-G468 PolarHBondContact N-O 3.11Å; C464-G468 WeakPolarHBondContact O-CA 3.31Å; C464-G468 PolarHBondContact O-N 3.48Å; C464-C506 HydrophobicContact CB-CB 3.91Å; C464-A513 HydrophobicContact CB-CB 4.19Å
465	Q	95.3	Very high	96.7	Very high	202 Å²	202	38.4 Å²	38.4	94%	0.944	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-32.4	178.8	-68	-175.9	-5.7	0	0	113.1
466	T	94.7	Very high	97	Very high	118 Å²	118	42.4 Å²	42.4	72%	0.724	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-40.2	-179.3	-45.4	0	0	0	0	112.7	C464	C464-T466 PolarHBondContact O-N 3.29Å; C464-T466 PolarHBondContact SG-N 2.84Å
467	C	95.9	Very high	97.2	Very high	29 Å²	29	43 Å²	43	20%	0.196	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-8.7	-172.4	-58.4	0	0	0	0	114.2	C464 V470	C464-C467 HydrophobicContact CB-CB 3.96Å; C464-C467 PolarHBondContact SG-N 2.72Å; C467-V470 HydrophobicContact CB-CG2 3.54Å
468	G	93.9	Very high	97.2	Very high	35 Å²	35	44.6 Å²	44.6	36%	0.361	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-145.6	-172.8	0	0	0	0	0	112.4	C464	C464-G468 PolarHBondContact N-O 3.11Å; C464-G468 WeakPolarHBondContact O-CA 3.31Å; C464-G468 PolarHBondContact O-N 3.48Å
469	A	95.4	Very high	97.2	Very high	35 Å²	35	45 Å²	45	29%	0.289	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	119	173.7	0	0	0	0	0	110.1	W241 V461	W241-A469 HydrophobicContact CH2-CB 4.13Å; W241-A469 HydrophobicContact CZ2-CB 4.4Å; V461-A469 HydrophobicContact CG1-CB 3.88Å
470	V	97.7	Very high	97.2	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.6	-177.9	-170.9	0	0	0	0	109.3	V462 C467 P507 R508	V462-V470 PolarHBondContact N-O 3.12Å; V462-V470 PolarHBondContact O-N 3.26Å; C467-V470 HydrophobicContact CB-CG2 3.54Å; V470-P507 HydrophobicContact CB-CG 4.32Å; V470-P507 HydrophobicContact CG1-CG 3.7Å; V470-R508 HydrophobicContact CG1-CB 4.1Å
471	P	97.8	Very high	97	Very high	35 Å²	35	50.7 Å²	50.7	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	146.2	176.4	26.9	-33.6	0	0	0	111	L190 F193	L190-P471 HydrophobicContact CD2-CB 3.5Å; F193-P471 HydrophobicContact CD1-CB 4.28Å; F193-P471 HydrophobicContact CD1-CG 4.24Å; F193-P471 HydrophobicContact CE1-CB 4.36Å; F193-P471 HydrophobicContact CE1-CG 4.02Å
472	V	98.3	Very high	96.7	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.036	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.7	137.8	168.9	173.8	0	0	0	0	109	L190 P460 V462 D476 L477 V479	L190-V472 WeakPolarHBondContact CD1-O 3.1Å; P460-V472 HydrophobicContact CB-CB 4.17Å; P460-V472 HydrophobicContact CB-CG2 4.38Å; P460-V472 WeakPolarHBondContact O-CG2 3.49Å; P460-V472 PolarHBondContact O-N 2.81Å; V462-V472 HydrophobicContact CG2-CG2 4.02Å; V472-D476 HydrophobicContact CG1-CB 3.68Å; V472-L477 HydrophobicContact CG1-CD2 4.15Å; V472-V479 HydrophobicContact CB-CG2 4.33Å; V472-V479 HydrophobicContact CG1-CG2 4Å; V472-V479 HydrophobicContact CG2-CG2 3.96Å
473	P	98.2	Very high	96.2	Very high	34 Å²	34	58 Å²	58	22%	0.221	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-58.4	149.9	175.3	-24	34.4	0	0	0	112.9	E475 D476 P507	P473-E475 VanDerWaalsContact C-N 3.28Å; P473-E475 VanDerWaalsContact CB-CD 3.41Å; P473-E475 HydrophobicContact CB-CG 4.08Å; P473-E475 WeakPolarHBondContact CB-OE2 3.27Å; P473-E475 PolarHBondContact O-N 3Å; P473-D476 HydrophobicContact CB-CB 4.42Å; P473-D476 WeakPolarHBondContact CD-OD2 3.24Å; P473-D476 WeakPolarHBondContact CG-OD2 3.08Å; P473-D476 PolarHBondContact O-N 3.41Å; P473-D476 VanDerWaalsContact O-N 3.08Å; P473-P507 HydrophobicContact CG-CB 3.85Å
474	Y	98	Very high	95.6	Very high	64 Å²	64	56.2 Å²	56.2	25%	0.251	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-62	-36.2	-177.9	-77.4	-64.2	0	0	0	112.9	Y187 L190 K191 E194 D476 L477	Y187-Y474 AromaticContact CD2-CD1 3.38Å; Y187-Y474 HydrophobicContact CD2-CD1 3.38Å; Y187-Y474 AromaticContact CD2-CE1 3.29Å; Y187-Y474 HydrophobicContact CD2-CE1 3.29Å; Y187-Y474 HydrophobicContact CD2-CG 4.49Å; Y187-Y474 AromaticContact CE2-CD1 3.67Å; Y187-Y474 HydrophobicContact CE2-CD1 3.67Å; Y187-Y474 AromaticContact CE2-CE1 3.46Å; Y187-Y474 HydrophobicContact CE2-CE1 3.46Å; Y187-Y474 VanDerWaalsContact CE2-CE1 3.46Å; Y187-Y474 HydrophobicContact CE2-CG 4.48Å; Y187-Y474 HydrophobicContact CG-CD1 4.39Å; Y187-Y474 HydrophobicContact CG-CE1 4.03Å; L190-Y474 HydrophobicContact CB-CE1 3.78Å; L190-Y474 HydrophobicContact CD1-CD1 3.88Å; L190-Y474 HydrophobicContact CD1-CE1 3.74Å; L190-Y474 HydrophobicContact CG-CE1 4.41Å; K191-Y474 WeakPolarHBondContact CE-OH 3.26Å; K191-Y474 PolarHBondContact NZ-OH 3.19Å; E194-Y474 VanDerWaalsContact CD-OH 3.25Å; E194-Y474 VanDerWaalsContact OE1-CE2 3.3Å; E194-Y474 WeakPolarHBondContact OE1-CE2 3.4Å; E194-Y474 PolarHBondContact OE1-OH 2.88Å; E194-Y474 VanDerWaalsContact OE1-OH 3.12Å; E194-Y474 PolarHBondContact OE2-OH 2.84Å; E194-Y474 VanDerWaalsContact OE2-OH 3.06Å; Y474-D476 PolarHBondContact O-N 3.25Å; Y474-L477 HydrophobicContact CD1-CD1 4.11Å; Y474-L477 WeakPolarHBondContact O-CB 3.5Å; Y474-L477 PolarHBondContact O-N 3.4Å
475	E	97	Very high	94.4	Very high	157 Å²	157	62 Å²	62	73%	0.734	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.5	-23	176.8	60.8	-90.5	-148.7	0	0	113.6	P473 L477	P473-E475 VanDerWaalsContact C-N 3.28Å; P473-E475 VanDerWaalsContact CB-CD 3.41Å; P473-E475 HydrophobicContact CB-CG 4.08Å; P473-E475 WeakPolarHBondContact CB-OE2 3.27Å; P473-E475 PolarHBondContact O-N 3Å; E475-L477 VanDerWaalsContact C-N 3.33Å
476	D	97.4	Very high	93.1	Very high	99 Å²	99	57.8 Å²	57.8	53%	0.529	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-90	0.1	178.6	-69.2	-21.4	0	0	0	112.1	V472 P473 Y474	V472-D476 HydrophobicContact CG1-CB 3.68Å; P473-D476 HydrophobicContact CB-CB 4.42Å; P473-D476 WeakPolarHBondContact CD-OD2 3.24Å; P473-D476 WeakPolarHBondContact CG-OD2 3.08Å; P473-D476 PolarHBondContact O-N 3.41Å; P473-D476 VanDerWaalsContact O-N 3.08Å; Y474-D476 PolarHBondContact O-N 3.25Å
477	L	98.2	Very high	91.8	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.063	31%	0.309	C	S	.	.			trans	-80.5	142.9	174.1	-62.1	-175.3	0	0	0	111.7	K183 Q186 L190 P460 V472 Y474 E475 V479	K183-L477 WeakPolarHBondContact CE-O 3.25Å; K183-L477 HydrophobicContact CG-CB 4Å; Q186-L477 HydrophobicContact CB-CD1 4.19Å; Q186-L477 HydrophobicContact CB-CD2 3.99Å; L190-L477 HydrophobicContact CD1-CD1 3.89Å; L190-L477 HydrophobicContact CD1-CD2 4.37Å; L190-L477 HydrophobicContact CD1-CG 4.39Å; P460-L477 HydrophobicContact CB-CD2 3.87Å; V472-L477 HydrophobicContact CG1-CD2 4.15Å; Y474-L477 HydrophobicContact CD1-CD1 4.11Å; Y474-L477 WeakPolarHBondContact O-CB 3.5Å; Y474-L477 PolarHBondContact O-N 3.4Å; E475-L477 VanDerWaalsContact C-N 3.33Å; L477-V479 HydrophobicContact CD2-CG2 4.44Å
478	P	98.4	Very high	90.1	Very high	34 Å²	34	56.9 Å²	56.9	22%	0.221	33%	0.328	C	S	.	.			cis	-83	147.9	2.9	29.3	-30.8	0	0	0	113.7	P179 Y182 K183 L480	P179-P478 HydrophobicContact CB-CG 4.06Å; Y182-P478 HydrophobicContact CD2-CB 4.26Å; Y182-P478 HydrophobicContact CE2-CB 3.78Å; K183-P478 HydrophobicContact CB-CB 3.85Å; K183-P478 HydrophobicContact CB-CG 4.18Å; K183-P478 HydrophobicContact CG-CB 4.2Å; K183-P478 HydrophobicContact CG-CG 4.44Å; P478-L480 HydrophobicContact CB-CD2 4.39Å; P478-L480 HydrophobicContact CG-CD2 3.75Å; P478-L480 HydrophobicContact CG-CG 4.37Å; P478-L480 PolarHBondContact O-N 3.46Å; P478-L480 VanDerWaalsContact O-N 3.11Å
479	V	98.3	Very high	88.4	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	33%	0.325	C	S	.	.			trans	-71.3	104.3	158.1	-177.7	0	0	0	0	107.1	Q186 P458 P460 V472 L477 W501	Q186-V479 PolarHBondContact NE2-O 3.32Å; P458-V479 HydrophobicContact CB-CB 4.29Å; P458-V479 HydrophobicContact CB-CG1 4.02Å; P458-V479 WeakPolarHBondContact CG-O 3.14Å; P460-V479 HydrophobicContact CB-CG2 4.29Å; V472-V479 HydrophobicContact CB-CG2 4.33Å; V472-V479 HydrophobicContact CG1-CG2 4Å; V472-V479 HydrophobicContact CG2-CG2 3.96Å; L477-V479 HydrophobicContact CD2-CG2 4.44Å; V479-W501 HydrophobicContact CG1-CZ2 3.81Å
480	L	97.3	Very high	86.5	Confident	95 Å²	95	61.8 Å²	61.8	50%	0.497	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-73.5	144.1	-177.9	-64.2	173.3	0	0	0	111.6	P179 Y182 P478 W501	P179-L480 HydrophobicContact CB-CD2 3.76Å; P179-L480 HydrophobicContact CG-CD2 3.75Å; Y182-L480 VanDerWaalsContact OH-CD2 3.29Å; Y182-L480 WeakPolarHBondContact OH-CD2 3.3Å; P478-L480 HydrophobicContact CB-CD2 4.39Å; P478-L480 HydrophobicContact CG-CD2 3.75Å; P478-L480 HydrophobicContact CG-CG 4.37Å; P478-L480 PolarHBondContact O-N 3.46Å; P478-L480 VanDerWaalsContact O-N 3.11Å; L480-W501 PolarHBondContact O-NE1 3.32Å
481	L	94.3	Very high	84.7	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.147	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-65.2	133.5	165.5	-78.9	171.2	0	0	0	110.1	F131 Y454 W455 P458 L495 T519	F131-L481 HydrophobicContact CE1-CD1 3.51Å; F131-L481 HydrophobicContact CZ-CD1 3.67Å; Y454-L481 HydrophobicContact CD2-CD2 4.34Å; Y454-L481 HydrophobicContact CE2-CD2 4.24Å; Y454-L481 VanDerWaalsContact O-CD2 3.24Å; Y454-L481 WeakPolarHBondContact O-CD2 3.41Å; W455-L481 HydrophobicContact CE3-CD1 4.18Å; W455-L481 HydrophobicContact CZ3-CD1 4.25Å; P458-L481 HydrophobicContact CG-CD2 3.69Å; P458-L481 HydrophobicContact CG-CG 3.79Å; L481-L495 HydrophobicContact CD2-CD1 4.27Å; L481-L495 HydrophobicContact CD2-CD2 4.16Å; L481-T519 HydrophobicContact CD2-CG2 4.37Å
482	P	92.8	Very high	83.1	Confident	19 Å²	19	64 Å²	64	12%	0.123	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-71.1	151.3	173.6	30.9	-32	0	0	0	110.1	Y454 I484 L495 V498 W501	Y454-P482 VanDerWaalsContact CE2-O 3.22Å; Y454-P482 WeakPolarHBondContact CE2-O 3.31Å; Y454-P482 PolarHBondContact OH-O 3.33Å; P482-I484 HydrophobicContact CG-CD1 4.2Å; P482-I484 HydrophobicContact CG-CG1 4.19Å; P482-I484 PolarHBondContact O-N 3.28Å; P482-L495 VanDerWaalsContact CD-CD2 3.4Å; P482-L495 HydrophobicContact CG-CD2 3.46Å; P482-L495 VanDerWaalsContact CG-CD2 3.46Å; P482-V498 HydrophobicContact CB-CG1 4.21Å; P482-V498 HydrophobicContact CG-CG1 4.41Å; P482-V498 HydrophobicContact CG-CG2 4.47Å; P482-W501 HydrophobicContact CB-CB 4.11Å; P482-W501 HydrophobicContact CB-CG 3.92Å; P482-W501 HydrophobicContact CG-CB 4.2Å; P482-W501 HydrophobicContact CG-CD2 3.99Å; P482-W501 HydrophobicContact CG-CG 3.77Å
483	N	87.6	Confident	82.1	Confident	139 Å²	139	63.7 Å²	63.7	74%	0.743	36%	0.364	S	S	*	.			trans	-79.2	115.3	172.5	-172.9	17.4	0	0	0	109.3
484	I	84.3	Confident	81.3	Confident	17 Å²	17	63.1 Å²	63.1	9%	0.087	36%	0.36	C	S	.	.			trans	-116.6	136.7	-178	-54.2	179.5	0	0	0	108.9	H145 Y454 P482 F487 P494 L495 V498	H145-I484 PolarHBondContact CD2-O 3.13Å; H145-I484 VanDerWaalsContact CD2-O 3.26Å; H145-I484 PolarHBondContact NE2-O 3.39Å; Y454-I484 HydrophobicContact CD2-CD1 3.57Å; Y454-I484 HydrophobicContact CD2-CG1 4.29Å; Y454-I484 HydrophobicContact CE2-CB 4.34Å; Y454-I484 HydrophobicContact CE2-CD1 3.59Å; Y454-I484 HydrophobicContact CE2-CG1 3.81Å; P482-I484 HydrophobicContact CG-CD1 4.2Å; P482-I484 HydrophobicContact CG-CG1 4.19Å; P482-I484 PolarHBondContact O-N 3.28Å; I484-F487 HydrophobicContact CB-CE1 4.15Å; I484-F487 HydrophobicContact CB-CZ 4.19Å; I484-F487 HydrophobicContact CG2-CE1 4.44Å; I484-F487 WeakPolarHBondContact O-CE2 3.2Å; I484-F487 WeakPolarHBondContact O-CZ 3.44Å; I484-P494 HydrophobicContact CD1-CB 4.36Å; I484-L495 HydrophobicContact CD1-CD2 4.21Å; I484-V498 HydrophobicContact CD1-CG2 3.48Å; I484-V498 VanDerWaalsContact CD1-CG2 3.48Å; I484-V498 HydrophobicContact CG1-CG2 3.81Å
485	T	71.3	Confident	80.9	Confident	129 Å²	129	60 Å²	60	79%	0.791	35%	0.348	S	S	*	.	S	Bend	trans	-96.6	-15.9	-177.6	52	0	0	0	0	114.4
486	T	67.7	Low	80.4	Confident	113 Å²	113	56.4 Å²	56.4	69%	0.693	33%	0.331	S	S	*	.			trans	-120.7	113.3	-175.6	18	0	0	0	0	111.2
487	F	68.2	Low	79.9	Confident	44 Å²	44	57.9 Å²	57.9	19%	0.193	34%	0.339	C	S	.	.			trans	-112.3	107.6	173.8	-55.4	-74.9	0	0	0	108.6	V140 H145 P146 Y454 I484 G489	V140-F487 HydrophobicContact CG2-CB 4.22Å; H145-F487 HydrophobicContact CB-CE2 4.45Å; H145-F487 AromaticContact CD2-CE2 3.47Å; H145-F487 VanDerWaalsContact CD2-CE2 3.47Å; H145-F487 WeakPolarHBondContact CD2-CE2 3.25Å; H145-F487 AromaticContact CD2-CZ 3.5Å; H145-F487 AromaticContact NE2-CZ 3.54Å; P146-F487 HydrophobicContact CG-CZ 4.5Å; Y454-F487 HydrophobicContact CD1-CD1 4.13Å; Y454-F487 AromaticContact CD1-CE1 3.28Å; Y454-F487 HydrophobicContact CD1-CE1 3.28Å; Y454-F487 AromaticContact CD1-CZ 3.97Å; Y454-F487 HydrophobicContact CD1-CZ 3.97Å; Y454-F487 HydrophobicContact CD2-CE1 4.37Å; Y454-F487 AromaticContact CE1-CE1 3.48Å; Y454-F487 HydrophobicContact CE1-CE1 3.48Å; Y454-F487 VanDerWaalsContact CE1-CE1 3.48Å; Y454-F487 AromaticContact CE1-CZ 3.69Å; Y454-F487 HydrophobicContact CE1-CZ 3.69Å; Y454-F487 HydrophobicContact CG-CD1 4.45Å; Y454-F487 AromaticContact CG-CE1 3.76Å; Y454-F487 HydrophobicContact CG-CE1 3.76Å; I484-F487 HydrophobicContact CB-CE1 4.15Å; I484-F487 HydrophobicContact CB-CZ 4.19Å; I484-F487 HydrophobicContact CG2-CE1 4.44Å; I484-F487 WeakPolarHBondContact O-CE2 3.2Å; I484-F487 WeakPolarHBondContact O-CZ 3.44Å; F487-G489 PolarHBondContact O-N 3.32Å
488	S	60.8	Low	79.6	Confident	85 Å²	85	57.9 Å²	57.9	59%	0.594	34%	0.34	S	S	*	.			trans	-72.8	-19.3	172.7	54.7	0	0	0	0	112.2	K490	S488-K490 WeakPolarHBondContact CB-O 3.42Å; S488-K490 PolarHBondContact O-N 3.14Å; S488-K490 PolarHBondContact OG-N 2.73Å; S488-K490 PolarHBondContact OG-O 3.18Å
489	G	57.1	Low	79.2	Confident	28 Å²	28	59.8 Å²	59.8	29%	0.289	35%	0.352	S	S	.	.	S	Bend	trans	61.4	6.4	-170.7	0	0	0	0	0	113.8	F487	F487-G489 PolarHBondContact O-N 3.32Å
490	K	55.8	Low	79	Confident	145 Å²	145	66.9 Å²	66.9	63%	0.63	38%	0.384	S	S	*	.	S	Bend	trans	-148.7	130.2	-170.2	-62.9	-179.5	-177.2	179.1	0	109	Q212 S488	Q212-K490 VanDerWaalsContact OE1-C 3.27Å; S488-K490 WeakPolarHBondContact CB-O 3.42Å; S488-K490 PolarHBondContact O-N 3.14Å; S488-K490 PolarHBondContact OG-N 2.73Å; S488-K490 PolarHBondContact OG-O 3.18Å
491	G	59.6	Low	78.9	Confident	33 Å²	33	63.7 Å²	63.7	34%	0.34	37%	0.366	S	S	.	.	S	Bend	trans	127.5	-161.2	170.6	0	0	0	0	0	112.6
492	A	65.6	Low	79	Confident	54 Å²	54	62.5 Å²	62.5	45%	0.446	36%	0.359	S	S	.	.	S	Bend	trans	-62	165.8	166.2	0	0	0	0	0	111	E496	A492-E496 WeakPolarHBondContact CB-OE2 3.16Å
493	S	76.4	Confident	79.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.378	C	S	.	.			trans	-49.5	128.5	-178.8	177.4	0	0	0	0	110.5	L495 E496 T517	S493-L495 PolarHBondContact O-N 3.15Å; S493-L495 PolarHBondContact OG-N 2.9Å; S493-E496 WeakPolarHBondContact O-CB 3.34Å; S493-E496 PolarHBondContact O-N 2.82Å; S493-T517 WeakPolarHBondContact CB-O 3.47Å; S493-T517 PolarHBondContact OG-O 3.37Å
494	P	82.3	Confident	79.6	Confident	21 Å²	21	60.8 Å²	60.8	14%	0.136	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-56.3	-24.2	179.2	-25.9	34.3	0	0	0	113.2	I484 E496 N497	I484-P494 HydrophobicContact CD1-CB 4.36Å; P494-E496 VanDerWaalsContact C-N 3.27Å; P494-E496 PolarHBondContact O-N 3.13Å; P494-N497 PolarHBondContact O-N 2.75Å
495	L	88.9	Confident	80.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-63.1	-29.7	175.4	-64.2	174	0	0	0	113	Y454 L481 P482 I484 S493 N497 V498 W501 V502 T517 T519	Y454-L495 HydrophobicContact CD2-CD2 3.76Å; Y454-L495 HydrophobicContact CD2-CG 4.28Å; Y454-L495 HydrophobicContact CE2-CD2 4.14Å; L481-L495 HydrophobicContact CD2-CD1 4.27Å; L481-L495 HydrophobicContact CD2-CD2 4.16Å; P482-L495 VanDerWaalsContact CD-CD2 3.4Å; P482-L495 HydrophobicContact CG-CD2 3.46Å; P482-L495 VanDerWaalsContact CG-CD2 3.46Å; I484-L495 HydrophobicContact CD1-CD2 4.21Å; S493-L495 PolarHBondContact O-N 3.15Å; S493-L495 PolarHBondContact OG-N 2.9Å; L495-N497 PolarHBondContact O-N 2.83Å; L495-V498 PolarHBondContact O-N 3.36Å; L495-W501 HydrophobicContact CB-CE3 4.3Å; L495-W501 HydrophobicContact CB-CZ3 3.89Å; L495-W501 HydrophobicContact CD1-CH2 3.93Å; L495-W501 HydrophobicContact CD1-CZ3 4.08Å; L495-W501 HydrophobicContact CD2-CE3 4.31Å; L495-W501 HydrophobicContact CD2-CH2 4.35Å; L495-W501 HydrophobicContact CD2-CZ3 4.18Å; L495-W501 HydrophobicContact CG-CZ3 4.28Å; L495-V502 WeakPolarHBondContact O-CG2 3.42Å; L495-T517 HydrophobicContact CB-CG2 4.28Å; L495-T517 WeakPolarHBondContact CD1-O 3.48Å; L495-T519 HydrophobicContact CD1-CG2 3.87Å
496	E	87.4	Confident	81.5	Confident	80 Å²	80	57.7 Å²	57.7	37%	0.374	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-60.9	-26.9	177.5	-72.3	-176.7	-166.7	0	0	112.9	A492 S493 P494 V498 T517	A492-E496 WeakPolarHBondContact CB-OE2 3.16Å; S493-E496 WeakPolarHBondContact O-CB 3.34Å; S493-E496 PolarHBondContact O-N 2.82Å; P494-E496 VanDerWaalsContact C-N 3.27Å; P494-E496 PolarHBondContact O-N 3.13Å; E496-V498 VanDerWaalsContact C-N 3.29Å; E496-V498 PolarHBondContact O-N 2.7Å; E496-T517 HydrophobicContact CG-CG2 3.84Å; E496-T517 WeakPolarHBondContact CG-OG1 3.42Å
497	N	86.4	Confident	82.9	Confident	131 Å²	131	53.7 Å²	53.7	70%	0.701	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-90.8	15.8	-177.2	-61.2	-52.2	0	0	0	113.3	P494 L495 P499	P494-N497 PolarHBondContact O-N 2.75Å; L495-N497 PolarHBondContact O-N 2.83Å; N497-P499 WeakPolarHBondContact O-CD 3.48Å
498	V	90.7	Very high	84.2	Confident	12 Å²	12	59.4 Å²	59.4	7%	0.073	33%	0.333	C	S	.	.			trans	-118.2	78.2	178	-169.1	0	0	0	0	110	P482 I484 L495 E496 E500 W501 V502	P482-V498 HydrophobicContact CB-CG1 4.21Å; P482-V498 HydrophobicContact CG-CG1 4.41Å; P482-V498 HydrophobicContact CG-CG2 4.47Å; I484-V498 HydrophobicContact CD1-CG2 3.48Å; I484-V498 VanDerWaalsContact CD1-CG2 3.48Å; I484-V498 HydrophobicContact CG1-CG2 3.81Å; L495-V498 PolarHBondContact O-N 3.36Å; E496-V498 VanDerWaalsContact C-N 3.29Å; E496-V498 PolarHBondContact O-N 2.7Å; V498-E500 HydrophobicContact CG1-CG 4.01Å; V498-E500 WeakPolarHBondContact CG1-OE1 3.49Å; V498-E500 PolarHBondContact O-N 3.34Å; V498-E500 VanDerWaalsContact O-N 3.17Å; V498-W501 HydrophobicContact CB-CB 4.17Å; V498-W501 HydrophobicContact CG1-CB 3.68Å; V498-W501 PolarHBondContact O-N 3.15Å; V498-V502 WeakPolarHBondContact O-CG2 3.39Å; V498-V502 PolarHBondContact O-N 2.82Å
499	P	91.5	Very high	85.9	Confident	73 Å²	73	58 Å²	58	47%	0.474	32%	0.322	S	S	.	.	H	α-helix	trans	-56.2	-34.8	-172.3	-26.1	35.1	0	0	0	114.4	N497 W501 N503	N497-P499 WeakPolarHBondContact O-CD 3.48Å; P499-W501 VanDerWaalsContact C-N 3.26Å; P499-W501 PolarHBondContact O-N 3.25Å; P499-N503 VanDerWaalsContact O-CB 3.24Å; P499-N503 WeakPolarHBondContact O-CB 3.48Å; P499-N503 VanDerWaalsContact O-CG 3.32Å; P499-N503 PolarHBondContact O-N 3.47Å; P499-N503 PolarHBondContact O-ND2 3.41Å
500	E	92.9	Very high	87.8	Confident	158 Å²	158	63.7 Å²	63.7	74%	0.738	34%	0.339	S	S	*	.	H	α-helix	trans	-67.9	-23.5	178.5	64.5	-86.8	-157.5	0	0	113.6	V498	V498-E500 HydrophobicContact CG1-CG 4.01Å; V498-E500 WeakPolarHBondContact CG1-OE1 3.49Å; V498-E500 PolarHBondContact O-N 3.34Å; V498-E500 VanDerWaalsContact O-N 3.17Å
501	W	95.1	Very high	89.8	Confident	29 Å²	29	58.8 Å²	58.8	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-93.9	-43.6	175.9	-176.5	87.2	0	0	0	111.3	P458 V479 L480 P482 L495 V498 P499 R515 E516 T517	P458-W501 HydrophobicContact CB-CH2 4.47Å; P458-W501 HydrophobicContact CB-CZ2 4.21Å; P458-W501 HydrophobicContact CG-CZ2 4.45Å; V479-W501 HydrophobicContact CG1-CZ2 3.81Å; L480-W501 PolarHBondContact O-NE1 3.32Å; P482-W501 HydrophobicContact CB-CB 4.11Å; P482-W501 HydrophobicContact CB-CG 3.92Å; P482-W501 HydrophobicContact CG-CB 4.2Å; P482-W501 HydrophobicContact CG-CD2 3.99Å; P482-W501 HydrophobicContact CG-CG 3.77Å; L495-W501 HydrophobicContact CB-CE3 4.3Å; L495-W501 HydrophobicContact CB-CZ3 3.89Å; L495-W501 HydrophobicContact CD1-CH2 3.93Å; L495-W501 HydrophobicContact CD1-CZ3 4.08Å; L495-W501 HydrophobicContact CD2-CE3 4.31Å; L495-W501 HydrophobicContact CD2-CH2 4.35Å; L495-W501 HydrophobicContact CD2-CZ3 4.18Å; L495-W501 HydrophobicContact CG-CZ3 4.28Å; V498-W501 HydrophobicContact CB-CB 4.17Å; V498-W501 HydrophobicContact CG1-CB 3.68Å; V498-W501 PolarHBondContact O-N 3.15Å; P499-W501 VanDerWaalsContact C-N 3.26Å; P499-W501 PolarHBondContact O-N 3.25Å; W501-R515 HydrophobicContact CH2-CB 4.47Å; W501-R515 HydrophobicContact CZ3-CB 4.27Å; W501-R515 WeakPolarHBondContact O-CD 3.45Å; W501-R515 PolarHBondContact O-NE 3Å; W501-E516 WeakPolarHBondContact CH2-O 3.35Å; W501-T517 HydrophobicContact CZ3-CG2 4.34Å
502	V	96	Very high	91.6	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-67.3	-44.6	-177.5	174.6	0	0	0	0	111.8	L495 V498 C504 R514 R515 T517	L495-V502 WeakPolarHBondContact O-CG2 3.42Å; V498-V502 WeakPolarHBondContact O-CG2 3.39Å; V498-V502 PolarHBondContact O-N 2.82Å; V502-C504 PolarHBondContact O-N 3.38Å; V502-R514 HydrophobicContact CG1-CB 4.1Å; V502-R514 HydrophobicContact CG1-CG 4.32Å; V502-R514 CarbonylContact O-C 3.49Å; V502-R514 VanDerWaalsContact O-CA 3.28Å; V502-R514 WeakPolarHBondContact O-CA 3.21Å; V502-R515 PolarHBondContact O-N 2.76Å; V502-T517 HydrophobicContact CG1-CG2 4.36Å; V502-T517 HydrophobicContact CG2-CG2 3.76Å
503	N	97.1	Very high	93.2	Very high	97 Å²	97	59.2 Å²	59.2	52%	0.519	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.3	-176.9	-63	-46.7	0	0	0	110.1	P499	P499-N503 VanDerWaalsContact O-CB 3.24Å; P499-N503 WeakPolarHBondContact O-CB 3.48Å; P499-N503 VanDerWaalsContact O-CG 3.32Å; P499-N503 PolarHBondContact O-N 3.47Å; P499-N503 PolarHBondContact O-ND2 3.41Å
504	C	96.4	Very high	94.2	Very high	25 Å²	25	65.5 Å²	65.5	17%	0.169	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	179.2	179.7	64.7	0	0	0	0	111.1	V462 V502 A513 R515	V462-C504 VanDerWaalsContact CG1-SG 3.59Å; V502-C504 PolarHBondContact O-N 3.38Å; C504-A513 PolarHBondContact N-O 3.47Å; C504-A513 CarbonylContact O-C 3.53Å; C504-A513 PolarHBondContact O-N 3.47Å; C504-R515 HydrophobicContact CB-CG 4.26Å
505	S	97.3	Very high	94.9	Very high	81 Å²	81	68 Å²	68	57%	0.566	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.4	171.7	-61.9	0	0	0	0	110.1
506	C	97.9	Very high	95.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.359	C	S	.	.			trans	-58.6	125	173.4	177.3	0	0	0	0	109.6	C464 R508 C509 K510 A511 A513	C464-C506 HydrophobicContact CB-CB 3.91Å; C506-R508 PolarHBondContact O-N 2.66Å; C506-C509 VanDerWaalsContact CB-SG 3.6Å; C506-C509 PolarHBondContact SG-N 2.85Å; C506-K510 WeakPolarHBondContact O-CA 3.33Å; C506-K510 PolarHBondContact O-N 2.75Å; C506-A511 WeakPolarHBondContact CB-O 3.3Å; C506-A511 PolarHBondContact N-O 2.93Å; C506-A513 HydrophobicContact CB-CB 3.96Å
507	P	96.8	Very high	95.6	Very high	30 Å²	30	65.4 Å²	65.4	20%	0.195	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.2	-178.6	22.6	-30.5	0	0	0	112.2	V470 P473 K510	V470-P507 HydrophobicContact CB-CG 4.32Å; V470-P507 HydrophobicContact CG1-CG 3.7Å; P473-P507 HydrophobicContact CG-CB 3.85Å; P507-K510 PolarHBondContact O-NZ 3.31Å
508	R	96.5	Very high	96	Very high	164 Å²	164	59.6 Å²	59.6	62%	0.619	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-56	179.8	-172.3	-177.1	-63.3	176.1	1.7	114.1	V470 C506	V470-R508 HydrophobicContact CG1-CB 4.1Å; C506-R508 PolarHBondContact O-N 2.66Å
509	C	97.3	Very high	96.2	Very high	54 Å²	54	59.1 Å²	59.1	37%	0.365	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-1.6	-172.8	70.3	0	0	0	0	114.6	C506 A511	C506-C509 VanDerWaalsContact CB-SG 3.6Å; C506-C509 PolarHBondContact SG-N 2.85Å; C509-A511 PolarHBondContact O-N 3.04Å; C509-A511 VanDerWaalsContact SG-CB 3.57Å
510	K	96.8	Very high	96.4	Very high	149 Å²	149	55.9 Å²	55.9	65%	0.648	29%	0.289	S	S	*	.			trans	61.7	-0	-177.3	-49	-53.9	-174.5	-165.5	0	116.1	C506 P507	C506-K510 WeakPolarHBondContact O-CA 3.33Å; C506-K510 PolarHBondContact O-N 2.75Å; P507-K510 PolarHBondContact O-NZ 3.31Å
511	A	97.3	Very high	96.3	Very high	42 Å²	42	48.6 Å²	48.6	35%	0.347	26%	0.256	S	S	.	.	S	Bend	trans	-65.1	162.9	172.2	0	0	0	0	0	112	C506 C509 A513	C506-A511 WeakPolarHBondContact CB-O 3.3Å; C506-A511 PolarHBondContact N-O 2.93Å; C509-A511 PolarHBondContact O-N 3.04Å; C509-A511 VanDerWaalsContact SG-CB 3.57Å; A511-A513 PolarHBondContact O-N 3.11Å
512	A	97.8	Very high	96.1	Very high	89 Å²	89	47.8 Å²	47.8	74%	0.736	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	134	174.6	0	0	0	0	0	111.1
513	A	97.9	Very high	96	Very high	7 Å²	7	48.3 Å²	48.3	6%	0.058	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	170.8	-177.5	0	0	0	0	0	110.6	V462 H463 C464 C504 C506 A511	V462-A513 HydrophobicContact CG1-CB 3.29Å; H463-A513 WeakPolarHBondContact O-CA 3.32Å; H463-A513 WeakPolarHBondContact O-CB 3.16Å; C464-A513 HydrophobicContact CB-CB 4.19Å; C504-A513 PolarHBondContact N-O 3.47Å; C504-A513 CarbonylContact O-C 3.53Å; C504-A513 PolarHBondContact O-N 3.47Å; C506-A513 HydrophobicContact CB-CB 3.96Å; A511-A513 PolarHBondContact O-N 3.11Å
514	R	97.6	Very high	96	Very high	131 Å²	131	43.8 Å²	43.8	49%	0.494	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.7	-179.5	-64.2	-179.6	66.6	-165.7	-1.5	110.2	V462 H463 V502	V462-R514 CarbonylContact C-O 3.56Å; V462-R514 WeakPolarHBondContact CA-O 3.33Å; H463-R514 PolarHBondContact N-O 3.49Å; H463-R514 PolarHBondContact O-N 2.86Å; V502-R514 HydrophobicContact CG1-CB 4.1Å; V502-R514 HydrophobicContact CG1-CG 4.32Å; V502-R514 CarbonylContact O-C 3.49Å; V502-R514 VanDerWaalsContact O-CA 3.28Å; V502-R514 WeakPolarHBondContact O-CA 3.21Å
515	R	97.6	Very high	96	Very high	74 Å²	74	42.6 Å²	42.6	28%	0.279	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	151.9	171.4	-62.5	-170.3	-175.8	-86.4	-0.1	110.3	V462 W501 V502 C504	V462-R515 HydrophobicContact CG2-CG 4.44Å; W501-R515 HydrophobicContact CH2-CB 4.47Å; W501-R515 HydrophobicContact CZ3-CB 4.27Å; W501-R515 WeakPolarHBondContact O-CD 3.45Å; W501-R515 PolarHBondContact O-NE 3Å; V502-R515 PolarHBondContact O-N 2.76Å; C504-R515 HydrophobicContact CB-CG 4.26Å
516	E	96.8	Very high	96	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.056	20%	0.198	C	C	.	.			trans	-60.7	134.7	163.8	-176.6	55.7	-91.5	0	0	109.8	W241 I459 V461 H463 W501 D518	W241-E516 PolarHBondContact NE1-OE2 2.94Å; I459-E516 HydrophobicContact CB-CB 4.18Å; I459-E516 HydrophobicContact CB-CG 3.67Å; I459-E516 HydrophobicContact CD1-CG 4.21Å; I459-E516 HydrophobicContact CG1-CG 4.46Å; I459-E516 HydrophobicContact CG2-CB 4.25Å; I459-E516 HydrophobicContact CG2-CG 3.85Å; V461-E516 HydrophobicContact CB-CB 4.36Å; V461-E516 PolarHBondContact O-N 3.25Å; H463-E516 IonicContact CD2-OE2 3.89Å; H463-E516 IonicContact CE1-OE2 3.49Å; H463-E516 PolarHBondContact CE1-OE2 2.94Å; H463-E516 IonicContact NE2-OE2 2.74Å; H463-E516 PolarHBondContact NE2-OE2 3.34Å; W501-E516 WeakPolarHBondContact CH2-O 3.35Å; E516-D518 HydrophobicContact CG-CB 4.19Å; E516-D518 PolarHBondContact OE1-N 2.83Å
517	T	94.8	Very high	96	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.086	20%	0.198	C	C	.	.			trans	-106.7	-9.9	-176.6	47.4	0	0	0	0	112.5	S493 L495 E496 W501 V502	S493-T517 WeakPolarHBondContact CB-O 3.47Å; S493-T517 PolarHBondContact OG-O 3.37Å; L495-T517 HydrophobicContact CB-CG2 4.28Å; L495-T517 WeakPolarHBondContact CD1-O 3.48Å; E496-T517 HydrophobicContact CG-CG2 3.84Å; E496-T517 WeakPolarHBondContact CG-OG1 3.42Å; W501-T517 HydrophobicContact CZ3-CG2 4.34Å; V502-T517 HydrophobicContact CG1-CG2 4.36Å; V502-T517 HydrophobicContact CG2-CG2 3.76Å
518	D	94.2	Very high	96.1	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.048	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-71.4	143.1	164.9	-76.2	-16	0	0	0	110.9	S450 R451 Q452 I459 E516	S450-D518 WeakPolarHBondContact CB-OD2 3.43Å; S450-D518 PolarHBondContact OG-OD2 2.96Å; R451-D518 WeakPolarHBondContact O-CA 3.4Å; Q452-D518 WeakPolarHBondContact CG-OD1 3.29Å; Q452-D518 PolarHBondContact NE2-OD1 2.84Å; Q452-D518 PolarHBondContact NE2-OD2 2.79Å; I459-D518 HydrophobicContact CD1-CB 3.9Å; I459-D518 PolarHBondContact N-O 2.96Å; E516-D518 HydrophobicContact CG-CB 4.19Å; E516-D518 PolarHBondContact OE1-N 2.83Å
519	T	95.3	Very high	96.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	162.1	166	52	0	0	0	0	110.4	R451 R453 G456 T457 L481 L495	R451-T519 PolarHBondContact N-O 3.05Å; R451-T519 PolarHBondContact O-N 3.31Å; R451-T519 PolarHBondContact O-OG1 3.35Å; R453-T519 VanDerWaalsContact O-CG2 3.28Å; R453-T519 WeakPolarHBondContact O-CG2 3.41Å; R453-T519 PolarHBondContact O-OG1 3.1Å; G456-T519 VanDerWaalsContact O-CG2 3.29Å; G456-T519 WeakPolarHBondContact O-CG2 3.34Å; T457-T519 CarbonylContact O-C 3.55Å; T457-T519 WeakPolarHBondContact O-CA 3.48Å; L481-T519 HydrophobicContact CD2-CG2 4.37Å; L495-T519 HydrophobicContact CD1-CG2 3.87Å
520	M	95.3	Very high	96.2	Very high	4 Å²	4	27 Å²	27	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	146	174.9	-60.2	-176.2	-157	0	0	111	T185 F189 I449 T457 I459 P460 V524	T185-M520 HydrophobicContact CG2-SD 4.02Å; F189-M520 HydrophobicContact CB-CE 3.56Å; F189-M520 HydrophobicContact CB-SD 4.28Å; F189-M520 HydrophobicContact CD1-CE 4.28Å; F189-M520 HydrophobicContact CD2-CE 3.39Å; F189-M520 HydrophobicContact CD2-SD 3.95Å; F189-M520 HydrophobicContact CE2-CE 4.1Å; F189-M520 HydrophobicContact CG-CE 3.49Å; F189-M520 VanDerWaalsContact CG-CE 3.49Å; F189-M520 HydrophobicContact CG-SD 4.42Å; I449-M520 CarbonylContact O-C 3.52Å; I449-M520 WeakPolarHBondContact O-CA 3.39Å; T457-M520 HydrophobicContact CG2-CE 4.26Å; T457-M520 HydrophobicContact CG2-SD 4.19Å; T457-M520 PolarHBondContact O-N 3.14Å; I459-M520 HydrophobicContact CB-CE 4.45Å; I459-M520 HydrophobicContact CD1-CG 4.43Å; I459-M520 HydrophobicContact CG1-CE 4.13Å; I459-M520 HydrophobicContact CG1-CG 3.62Å; P460-M520 VanDerWaalsContact CD-CE 3.41Å; P460-M520 HydrophobicContact CG-CE 4.45Å; M520-V524 HydrophobicContact CB-CB 4.27Å; M520-V524 HydrophobicContact CB-CG2 4.12Å; M520-V524 HydrophobicContact SD-CG1 3.93Å
521	D	90.9	Very high	96.3	Very high	6 Å²	6	20 Å²	20	3%	0.032	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-57.4	144.6	168.3	-176.6	-95.8	0	0	0	112.1	Q219 I449 R451 F523 V524	Q219-D521 PolarHBondContact NE2-OD2 3.32Å; I449-D521 PolarHBondContact O-N 3.13Å; R451-D521 HydrophobicContact CG-CB 4.15Å; R451-D521 IonicContact CZ-OD2 2.85Å; R451-D521 IonicContact NE-OD2 3.24Å; R451-D521 PolarHBondContact NE-OD2 2.85Å; R451-D521 IonicContact NH2-OD2 3.86Å; R451-D521 PolarHBondContact NH2-OD2 3.25Å; D521-F523 PolarHBondContact O-N 2.83Å; D521-F523 VanDerWaalsContact O-N 3.13Å; D521-F523 VanDerWaalsContact OD1-CB 3.23Å; D521-F523 WeakPolarHBondContact OD1-CB 3.18Å; D521-F523 WeakPolarHBondContact OD1-CD2 3.26Å; D521-F523 PolarHBondContact OD1-N 3.38Å; D521-V524 WeakPolarHBondContact O-CB 3.39Å; D521-V524 WeakPolarHBondContact O-CG2 3.19Å; D521-V524 PolarHBondContact O-N 3.11Å
522	T	90.8	Very high	96.4	Very high	11 Å²	11	18.2 Å²	18.2	7%	0.067	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-25.6	-177.2	-159.3	0	0	0	0	113.5	Y92 D129 F131 V524 D525 S526	Y92-T522 HydrophobicContact CE1-CG2 4.32Å; D129-T522 PolarHBondContact OD1-OG1 2.96Å; F131-T522 PolarHBondContact O-OG1 3.32Å; T522-V524 PolarHBondContact O-N 2.87Å; T522-D525 PolarHBondContact O-N 3.39Å; T522-S526 PolarHBondContact O-N 2.97Å; T522-S526 PolarHBondContact O-OG 3.31Å
523	F	93.2	Very high	96.4	Very high	13 Å²	13	14 Å²	14	6%	0.057	6%	0.06	C	C	.	.	H	α-helix	trans	-67.2	-20.4	175.9	-72	-65.8	0	0	0	112.7	W447 D521 D525 S526 A527 M566 H567 Y570	W447-F523 HydrophobicContact CH2-CB 4.12Å; W447-F523 HydrophobicContact CZ2-CB 3.57Å; D521-F523 PolarHBondContact O-N 2.83Å; D521-F523 VanDerWaalsContact O-N 3.13Å; D521-F523 VanDerWaalsContact OD1-CB 3.23Å; D521-F523 WeakPolarHBondContact OD1-CB 3.18Å; D521-F523 WeakPolarHBondContact OD1-CD2 3.26Å; D521-F523 PolarHBondContact OD1-N 3.38Å; F523-D525 VanDerWaalsContact C-N 3.33Å; F523-S526 WeakPolarHBondContact CA-OG 3.48Å; F523-A527 WeakPolarHBondContact O-CB 3.49Å; F523-A527 PolarHBondContact O-N 3.38Å; F523-M566 HydrophobicContact CD2-CE 4.22Å; F523-M566 HydrophobicContact CE1-CB 4.25Å; F523-M566 HydrophobicContact CE2-CE 3.23Å; F523-M566 HydrophobicContact CE2-SD 4.43Å; F523-M566 HydrophobicContact CZ-CB 4.14Å; F523-M566 HydrophobicContact CZ-CE 3.47Å; F523-M566 VanDerWaalsContact CZ-CE 3.47Å; F523-M566 HydrophobicContact CZ-SD 4.12Å; F523-H567 HydrophobicContact CD1-CB 4.09Å; F523-H567 HydrophobicContact CE1-CB 3.98Å; F523-Y570 HydrophobicContact CB-CD2 3.67Å; F523-Y570 HydrophobicContact CB-CE2 3.94Å; F523-Y570 HydrophobicContact CD1-CD2 4.35Å; F523-Y570 HydrophobicContact CD2-CE2 4.2Å; F523-Y570 AromaticContact CG-CD2 3.99Å; F523-Y570 HydrophobicContact CG-CD2 3.99Å; F523-Y570 HydrophobicContact CG-CE2 4.02Å
524	V	96.9	Very high	96.4	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.018	6%	0.057	C	C	.	.	H	α-helix	trans	-66.4	-40.9	174	-171.4	0	0	0	0	110.1	T185 W447 I449 M520 D521 T522 W528 F574	T185-V524 HydrophobicContact CG2-CB 4.44Å; T185-V524 HydrophobicContact CG2-CG1 3.68Å; W447-V524 HydrophobicContact CH2-CB 4.2Å; W447-V524 HydrophobicContact CH2-CG2 3.69Å; W447-V524 HydrophobicContact CZ2-CB 4.36Å; W447-V524 HydrophobicContact CZ2-CG2 3.5Å; I449-V524 HydrophobicContact CB-CG2 4.08Å; I449-V524 HydrophobicContact CG2-CG2 3.62Å; M520-V524 HydrophobicContact CB-CB 4.27Å; M520-V524 HydrophobicContact CB-CG2 4.12Å; M520-V524 HydrophobicContact SD-CG1 3.93Å; D521-V524 WeakPolarHBondContact O-CB 3.39Å; D521-V524 WeakPolarHBondContact O-CG2 3.19Å; D521-V524 PolarHBondContact O-N 3.11Å; T522-V524 PolarHBondContact O-N 2.87Å; V524-W528 VanDerWaalsContact O-CD1 3.31Å; V524-F574 HydrophobicContact CG1-CE2 4.47Å; V524-F574 HydrophobicContact CG1-CZ 4.06Å
525	D	97.1	Very high	96.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-69	-42.2	177.1	-68.3	-50.7	0	0	0	111.9	T176 Y181 T185 T457 T522 F523 A527	T176-D525 HydrophobicContact CG2-CB 4.02Å; Y181-D525 HydrophobicContact CE1-CB 4.04Å; Y181-D525 PolarHBondContact OH-O 2.81Å; T185-D525 WeakPolarHBondContact CB-OD1 3.39Å; T185-D525 VanDerWaalsContact CG2-OD1 3.29Å; T185-D525 WeakPolarHBondContact CG2-OD1 3.11Å; T185-D525 PolarHBondContact OG1-OD1 2.91Å; T457-D525 PolarHBondContact OG1-OD1 3.29Å; T457-D525 VanDerWaalsContact OG1-OD1 3.11Å; T457-D525 PolarHBondContact OG1-OD2 3.21Å; T457-D525 VanDerWaalsContact OG1-OD2 3.05Å; T522-D525 PolarHBondContact O-N 3.39Å; F523-D525 VanDerWaalsContact C-N 3.33Å; D525-A527 VanDerWaalsContact C-N 3.33Å; D525-A527 PolarHBondContact O-N 3.25Å
526	S	97	Very high	96.2	Very high	2 Å²	2	6 Å²	6	1%	0.014	3%	0.033	C	C	.	.	H	α-helix	trans	-79.7	-7.6	178.9	54.4	0	0	0	0	114.7	T522 F523 W528 Y529 H567	T522-S526 PolarHBondContact O-N 2.97Å; T522-S526 PolarHBondContact O-OG 3.31Å; F523-S526 WeakPolarHBondContact CA-OG 3.48Å; S526-W528 VanDerWaalsContact C-N 3.26Å; S526-W528 PolarHBondContact O-N 3.5Å; S526-Y529 WeakPolarHBondContact O-CD1 2.99Å; S526-H567 PolarHBondContact O-CE1 3.46Å; S526-H567 PolarHBondContact O-ND1 3.14Å
527	A	98	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.7	178.6	0	0	0	0	0	114.7	W447 F523 D525 Y530 A571 F574	W447-A527 HydrophobicContact CH2-CB 4.33Å; F523-A527 WeakPolarHBondContact O-CB 3.49Å; F523-A527 PolarHBondContact O-N 3.38Å; D525-A527 VanDerWaalsContact C-N 3.33Å; D525-A527 PolarHBondContact O-N 3.25Å; A527-Y530 WeakPolarHBondContact O-CE1 3.36Å; A527-Y530 PolarHBondContact O-OH 3.43Å; A527-A571 WeakPolarHBondContact O-CA 3.47Å; A527-F574 HydrophobicContact CB-CB 4.31Å; A527-F574 HydrophobicContact CB-CD2 3.3Å; A527-F574 HydrophobicContact CB-CE2 3.74Å; A527-F574 HydrophobicContact CB-CG 3.93Å; A527-F574 WeakPolarHBondContact O-CB 3.36Å
528	W	98.6	Very high	96.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-0.4	-175.5	71.6	-82.6	0	0	0	115.2	Y181 W184 T185 L188 V524 S526 Y530 L531 R532 P542 F543 F574	Y181-W528 HydrophobicContact CD1-CZ2 4.22Å; Y181-W528 HydrophobicContact CD2-CH2 4.42Å; Y181-W528 HydrophobicContact CD2-CZ2 4.39Å; Y181-W528 AromaticContact CE1-CZ2 3.69Å; Y181-W528 HydrophobicContact CE1-CZ2 3.69Å; Y181-W528 AromaticContact CE2-CH2 3.99Å; Y181-W528 HydrophobicContact CE2-CH2 3.99Å; Y181-W528 AromaticContact CE2-CZ2 3.85Å; Y181-W528 HydrophobicContact CE2-CZ2 3.85Å; Y181-W528 AromaticContact CZ-CE2 3.73Å; Y181-W528 AromaticContact CZ-CZ2 3.49Å; Y181-W528 VanDerWaalsContact CZ-CZ2 3.49Å; W184-W528 HydrophobicContact CB-CH2 3.42Å; W184-W528 VanDerWaalsContact CB-CH2 3.42Å; W184-W528 HydrophobicContact CB-CZ2 3.8Å; W184-W528 HydrophobicContact CB-CZ3 4.3Å; W184-W528 HydrophobicContact CG-CH2 4.33Å; T185-W528 PolarHBondContact OG1-NE1 2.94Å; L188-W528 HydrophobicContact CD1-CB 4.31Å; L188-W528 HydrophobicContact CD1-CD2 3.58Å; L188-W528 HydrophobicContact CD1-CE3 3.97Å; L188-W528 HydrophobicContact CD1-CG 3.71Å; V524-W528 VanDerWaalsContact O-CD1 3.31Å; S526-W528 VanDerWaalsContact C-N 3.26Å; S526-W528 PolarHBondContact O-N 3.5Å; W528-Y530 PolarHBondContact O-N 2.82Å; W528-Y530 VanDerWaalsContact O-N 3.07Å; W528-L531 WeakPolarHBondContact O-CB 3.47Å; W528-L531 PolarHBondContact O-N 3.28Å; W528-R532 HydrophobicContact CE3-CB 4.17Å; W528-R532 HydrophobicContact CH2-CB 4.06Å; W528-R532 HydrophobicContact CH2-CG 4.18Å; W528-R532 HydrophobicContact CZ3-CB 3.59Å; W528-R532 HydrophobicContact CZ3-CG 4.12Å; W528-R532 PolarHBondContact O-N 3.42Å; W528-P542 HydrophobicContact CH2-CB 4.47Å; W528-P542 HydrophobicContact CZ3-CB 3.96Å; W528-F543 HydrophobicContact CZ3-CD1 4.45Å; W528-F574 HydrophobicContact CB-CB 4.45Å; W528-F574 HydrophobicContact CB-CD1 4.12Å; W528-F574 HydrophobicContact CB-CG 4.44Å
529	Y	98.7	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55	-30.3	-176	82.1	-66.6	0	0	0	114.9	L87 F90 I174 Y181 S526 L531 R532 Y533 Y557 H567	L87-Y529 HydrophobicContact CD1-CE2 4.31Å; L87-Y529 HydrophobicContact CD2-CE2 4.3Å; F90-Y529 HydrophobicContact CB-CE2 4.12Å; F90-Y529 HydrophobicContact CD1-CD2 4.19Å; F90-Y529 AromaticContact CD1-CE2 3.79Å; F90-Y529 HydrophobicContact CD1-CE2 3.79Å; F90-Y529 AromaticContact CD2-CD2 3.56Å; F90-Y529 HydrophobicContact CD2-CD2 3.56Å; F90-Y529 AromaticContact CD2-CE2 3.81Å; F90-Y529 HydrophobicContact CD2-CE2 3.81Å; F90-Y529 HydrophobicContact CD2-CG 4.38Å; F90-Y529 HydrophobicContact CE1-CD2 4.19Å; F90-Y529 HydrophobicContact CE1-CE1 4.49Å; F90-Y529 HydrophobicContact CE1-CE2 4.14Å; F90-Y529 HydrophobicContact CE1-CG 4.38Å; F90-Y529 AromaticContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CE2 4.15Å; F90-Y529 AromaticContact CE2-CG 3.94Å; F90-Y529 HydrophobicContact CE2-CG 3.94Å; F90-Y529 AromaticContact CG-CD2 3.9Å; F90-Y529 HydrophobicContact CG-CD2 3.9Å; F90-Y529 AromaticContact CG-CE2 3.63Å; F90-Y529 HydrophobicContact CG-CE2 3.63Å; F90-Y529 HydrophobicContact CZ-CD1 4.43Å; F90-Y529 AromaticContact CZ-CD2 3.91Å; F90-Y529 HydrophobicContact CZ-CD2 3.91Å; F90-Y529 HydrophobicContact CZ-CE2 4.32Å; F90-Y529 AromaticContact CZ-CG 3.95Å; F90-Y529 HydrophobicContact CZ-CG 3.95Å; I174-Y529 HydrophobicContact CD1-CD2 4.27Å; Y181-Y529 VanDerWaalsContact OH-CA 3.3Å; Y181-Y529 WeakPolarHBondContact OH-CA 3.35Å; Y181-Y529 VanDerWaalsContact OH-CB 3.25Å; Y181-Y529 WeakPolarHBondContact OH-CB 3.41Å; Y181-Y529 PolarHBondContact OH-N 2.9Å; S526-Y529 WeakPolarHBondContact O-CD1 2.99Å; Y529-L531 PolarHBondContact O-N 2.5Å; Y529-R532 PolarHBondContact O-N 3.47Å; Y529-R532 VanDerWaalsContact O-N 3.08Å; Y529-Y533 HydrophobicContact CD2-CD2 4.02Å; Y529-Y533 AromaticContact CD2-CE2 3.27Å; Y529-Y533 HydrophobicContact CD2-CE2 3.27Å; Y529-Y533 AromaticContact CD2-CZ 3.92Å; Y529-Y533 HydrophobicContact CE2-CD2 4.38Å; Y529-Y533 AromaticContact CE2-CE2 3.52Å; Y529-Y533 HydrophobicContact CE2-CE2 3.52Å; Y529-Y533 HydrophobicContact CG-CE2 4.38Å; Y529-Y533 WeakPolarHBondContact O-CD2 3.25Å; Y529-Y533 PolarHBondContact O-N 2.96Å; Y529-Y557 VanDerWaalsContact OH-CE2 3.27Å; Y529-Y557 WeakPolarHBondContact OH-CE2 3.15Å; Y529-Y557 PolarHBondContact OH-OH 3.06Å; Y529-H567 AromaticContact CE1-CE1 3.74Å
530	Y	98.7	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-28.9	175.6	58.4	-95.6	0	0	0	112.8	Y85 A527 W528 M552 A571 S575 P589 F590	Y85-Y530 PolarHBondContact OH-O 3.37Å; Y85-Y530 VanDerWaalsContact OH-O 3.13Å; A527-Y530 WeakPolarHBondContact O-CE1 3.36Å; A527-Y530 PolarHBondContact O-OH 3.43Å; W528-Y530 PolarHBondContact O-N 2.82Å; W528-Y530 VanDerWaalsContact O-N 3.07Å; Y530-M552 HydrophobicContact CD2-CE 3.31Å; Y530-M552 HydrophobicContact CD2-SD 4.05Å; Y530-M552 HydrophobicContact CE2-CE 3.59Å; Y530-M552 HydrophobicContact CG-CE 4.47Å; Y530-A571 HydrophobicContact CE1-CB 3.79Å; Y530-A571 PolarHBondContact OH-O 2.81Å; Y530-S575 WeakPolarHBondContact OH-CB 3.49Å; Y530-S575 PolarHBondContact OH-N 3.29Å; Y530-P589 HydrophobicContact CD2-CB 3.96Å; Y530-P589 HydrophobicContact CE1-CB 4.02Å; Y530-P589 HydrophobicContact CE2-CB 3.34Å; Y530-P589 VanDerWaalsContact CZ-CB 3.41Å; Y530-F590 AromaticContact CD1-CE1 3.83Å; Y530-F590 HydrophobicContact CD1-CE1 3.83Å; Y530-F590 AromaticContact CD1-CZ 3.89Å; Y530-F590 HydrophobicContact CD1-CZ 3.89Å; Y530-F590 HydrophobicContact CE1-CE1 4.37Å; Y530-F590 HydrophobicContact CE1-CZ 4.12Å; Y530-F590 AromaticContact CG-CE1 3.97Å; Y530-F590 HydrophobicContact CG-CE1 3.97Å; Y530-F590 HydrophobicContact CG-CZ 4.49Å
531	L	98.6	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-76.2	-40.1	171	-70.1	156.7	0	0	0	110.7	W528 Y529 Y533 T534 F543 A548 M552	W528-L531 WeakPolarHBondContact O-CB 3.47Å; W528-L531 PolarHBondContact O-N 3.28Å; Y529-L531 PolarHBondContact O-N 2.5Å; L531-Y533 VanDerWaalsContact C-N 3.28Å; L531-Y533 PolarHBondContact O-N 3.38Å; L531-T534 WeakPolarHBondContact O-CB 3.32Å; L531-T534 WeakPolarHBondContact O-CG2 3.24Å; L531-T534 PolarHBondContact O-N 3.26Å; L531-T534 PolarHBondContact O-OG1 2.87Å; L531-F543 HydrophobicContact CB-CD1 3.58Å; L531-F543 HydrophobicContact CB-CE1 3.52Å; L531-F543 HydrophobicContact CB-CE2 4.49Å; L531-F543 HydrophobicContact CB-CG 4.14Å; L531-F543 HydrophobicContact CB-CZ 4Å; L531-F543 HydrophobicContact CD1-CE1 3.77Å; L531-F543 HydrophobicContact CD1-CZ 3.78Å; L531-F543 HydrophobicContact CD2-CE1 4.37Å; L531-F543 HydrophobicContact CD2-CE2 4.09Å; L531-F543 HydrophobicContact CD2-CZ 3.97Å; L531-F543 HydrophobicContact CG-CE1 4.06Å; L531-F543 HydrophobicContact CG-CZ 4.11Å; L531-A548 HydrophobicContact CD2-CB 4.23Å; L531-M552 HydrophobicContact CD2-CE 4.3Å; L531-M552 HydrophobicContact CD2-CG 3.91Å; L531-M552 HydrophobicContact CD2-SD 4.4Å
532	R	98.6	Very high	96.9	Very high	6 Å²	6	28.2 Å²	28.2	2%	0.023	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-37.1	-179.6	-172.7	56.9	-179.6	-179.3	1.4	112.3	I174 Y181 W528 Y529 T534 D535 P536 N538 R541 P542	I174-R532 HydrophobicContact CG2-CG 4.07Å; Y181-R532 HydrophobicContact CD2-CG 3.98Å; Y181-R532 HydrophobicContact CE2-CB 3.95Å; Y181-R532 HydrophobicContact CE2-CG 3.85Å; W528-R532 HydrophobicContact CE3-CB 4.17Å; W528-R532 HydrophobicContact CH2-CB 4.06Å; W528-R532 HydrophobicContact CH2-CG 4.18Å; W528-R532 HydrophobicContact CZ3-CB 3.59Å; W528-R532 HydrophobicContact CZ3-CG 4.12Å; W528-R532 PolarHBondContact O-N 3.42Å; Y529-R532 PolarHBondContact O-N 3.47Å; Y529-R532 VanDerWaalsContact O-N 3.08Å; R532-T534 PolarHBondContact O-N 3.16Å; R532-T534 VanDerWaalsContact O-N 3.1Å; R532-D535 CarbonylContact O-C 3.43Å; R532-D535 PolarHBondContact O-N 2.68Å; R532-P536 VanDerWaalsContact CZ-O 3.22Å; R532-P536 PolarHBondContact NE-O 3.04Å; R532-P536 PolarHBondContact NH2-O 3.24Å; R532-P536 VanDerWaalsContact O-CA 3.26Å; R532-P536 WeakPolarHBondContact O-CA 3.31Å; R532-P536 VanDerWaalsContact O-N 3.08Å; R532-N538 PolarHBondContact NH1-O 3.41Å; R532-N538 PolarHBondContact NH2-O 3.12Å; R532-R541 PolarHBondContact NH1-O 3.36Å; R532-P542 WeakPolarHBondContact CD-O 2.95Å; R532-P542 PolarHBondContact NH1-O 3.14Å
533	Y	98.3	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.6	175.5	-76.8	-47.5	0	0	0	114.2	Y85 L87 P125 G127 R172 I174 Y529 L531 D535	Y85-Y533 WeakPolarHBondContact OH-CB 3.22Å; Y85-Y533 WeakPolarHBondContact OH-CD2 3.11Å; L87-Y533 HydrophobicContact CD1-CD2 3.98Å; L87-Y533 HydrophobicContact CD1-CE2 3.72Å; P125-Y533 HydrophobicContact CB-CD1 3.55Å; P125-Y533 HydrophobicContact CB-CD2 4.13Å; P125-Y533 HydrophobicContact CB-CE1 3.84Å; P125-Y533 HydrophobicContact CB-CE2 4.36Å; P125-Y533 HydrophobicContact CB-CG 3.73Å; P125-Y533 HydrophobicContact CG-CD1 4.01Å; P125-Y533 HydrophobicContact CG-CD2 3.67Å; P125-Y533 HydrophobicContact CG-CE1 4.41Å; P125-Y533 HydrophobicContact CG-CE2 4.07Å; P125-Y533 HydrophobicContact CG-CG 3.64Å; G127-Y533 VanDerWaalsContact CA-OH 3.24Å; G127-Y533 WeakPolarHBondContact CA-OH 3.09Å; G127-Y533 PolarHBondContact N-OH 3.17Å; R172-Y533 HydrophobicContact CB-CD1 4.43Å; R172-Y533 WeakPolarHBondContact CD-O 3.47Å; R172-Y533 PolarHBondContact NH1-O 2.91Å; R172-Y533 WeakPolarHBondContact O-CD1 3.5Å; R172-Y533 VanDerWaalsContact O-CE1 3.31Å; R172-Y533 WeakPolarHBondContact O-CE1 3.39Å; I174-Y533 HydrophobicContact CB-CE1 4.29Å; I174-Y533 HydrophobicContact CD1-CD1 3.94Å; I174-Y533 HydrophobicContact CD1-CD2 4.45Å; I174-Y533 HydrophobicContact CD1-CE1 3.5Å; I174-Y533 VanDerWaalsContact CD1-CE1 3.5Å; I174-Y533 HydrophobicContact CD1-CE2 4.07Å; I174-Y533 HydrophobicContact CD1-CG 4.38Å; I174-Y533 HydrophobicContact CG1-CD1 4.22Å; I174-Y533 HydrophobicContact CG1-CE1 3.48Å; I174-Y533 VanDerWaalsContact CG1-CE1 3.48Å; I174-Y533 HydrophobicContact CG2-CD1 4.1Å; I174-Y533 HydrophobicContact CG2-CE1 4.08Å; Y529-Y533 HydrophobicContact CD2-CD2 4.02Å; Y529-Y533 AromaticContact CD2-CE2 3.27Å; Y529-Y533 HydrophobicContact CD2-CE2 3.27Å; Y529-Y533 AromaticContact CD2-CZ 3.92Å; Y529-Y533 HydrophobicContact CE2-CD2 4.38Å; Y529-Y533 AromaticContact CE2-CE2 3.52Å; Y529-Y533 HydrophobicContact CE2-CE2 3.52Å; Y529-Y533 HydrophobicContact CG-CE2 4.38Å; Y529-Y533 WeakPolarHBondContact O-CD2 3.25Å; Y529-Y533 PolarHBondContact O-N 2.96Å; L531-Y533 VanDerWaalsContact C-N 3.28Å; L531-Y533 PolarHBondContact O-N 3.38Å; Y533-D535 VanDerWaalsContact C-N 3.25Å; Y533-D535 PolarHBondContact O-N 3.18Å
534	T	96.6	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-24.5	177.2	72.5	0	0	0	0	112.4	Y85 R172 L531 R532 W551 M552	Y85-T534 HydrophobicContact CE2-CG2 4.49Å; R172-T534 PolarHBondContact NH1-O 3.37Å; L531-T534 WeakPolarHBondContact O-CB 3.32Å; L531-T534 WeakPolarHBondContact O-CG2 3.24Å; L531-T534 PolarHBondContact O-N 3.26Å; L531-T534 PolarHBondContact O-OG1 2.87Å; R532-T534 PolarHBondContact O-N 3.16Å; R532-T534 VanDerWaalsContact O-N 3.1Å; T534-W551 HydrophobicContact CG2-CB 3.85Å; T534-W551 HydrophobicContact CG2-CG 4.47Å; T534-M552 HydrophobicContact CG2-CG 4.37Å
535	D	96.6	Very high	97.5	Very high	29 Å²	29	31 Å²	31	16%	0.155	15%	0.154	C	C	.	.	S	Bend	trans	-157.9	68.3	-179.5	-170.7	9.5	0	0	0	111.8	R532 Y533 H537 N538 F543 N544 L547	R532-D535 CarbonylContact O-C 3.43Å; R532-D535 PolarHBondContact O-N 2.68Å; Y533-D535 VanDerWaalsContact C-N 3.25Å; Y533-D535 PolarHBondContact O-N 3.18Å; D535-H537 VanDerWaalsContact C-N 3.29Å; D535-H537 PolarHBondContact O-N 3.24Å; D535-N538 PolarHBondContact O-N 2.82Å; D535-N538 WeakPolarHBondContact OD2-CB 3.41Å; D535-N538 PolarHBondContact OD2-ND2 2.88Å; D535-F543 HydrophobicContact CB-CB 4.32Å; D535-N544 HydrophobicContact CB-CB 4.47Å; D535-N544 WeakPolarHBondContact OD2-CB 3.28Å; D535-N544 PolarHBondContact OD2-N 3.22Å; D535-N544 VanDerWaalsContact OD2-N 3.16Å; D535-L547 HydrophobicContact CB-CD1 3.92Å
536	P	96.3	Very high	97.4	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.104	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.3	-164.9	24.7	-27.6	0	0	0	114.1	R172 I174 R532	R172-P536 HydrophobicContact CB-CG 3.83Å; R172-P536 HydrophobicContact CG-CG 3.9Å; I174-P536 HydrophobicContact CG2-CB 3.68Å; R532-P536 VanDerWaalsContact CZ-O 3.22Å; R532-P536 PolarHBondContact NE-O 3.04Å; R532-P536 PolarHBondContact NH2-O 3.24Å; R532-P536 VanDerWaalsContact O-CA 3.26Å; R532-P536 WeakPolarHBondContact O-CA 3.31Å; R532-P536 VanDerWaalsContact O-N 3.08Å
537	H	96.1	Very high	97.2	Very high	137 Å²	137	39 Å²	39	63%	0.634	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	4.8	-179.9	-59	-58	0	0	0	113.1	E171 D535 T539	E171-H537 PolarHBondContact O-NE2 3.11Å; D535-H537 VanDerWaalsContact C-N 3.29Å; D535-H537 PolarHBondContact O-N 3.24Å; H537-T539 PolarHBondContact O-N 3.36Å
538	N	97.3	Very high	97.2	Very high	19 Å²	19	39 Å²	39	10%	0.102	20%	0.197	C	C	.	.			trans	-67.8	122.4	-179.2	-161	-50.8	0	0	0	111.9	W184 R532 D535 E540 R541	W184-N538 PolarHBondContact NE1-O 3.42Å; R532-N538 PolarHBondContact NH1-O 3.41Å; R532-N538 PolarHBondContact NH2-O 3.12Å; D535-N538 PolarHBondContact O-N 2.82Å; D535-N538 WeakPolarHBondContact OD2-CB 3.41Å; D535-N538 PolarHBondContact OD2-ND2 2.88Å; N538-E540 PolarHBondContact OD1-N 3.48Å; N538-R541 WeakPolarHBondContact ND2-CG 3.49Å; N538-R541 WeakPolarHBondContact OD1-CG 3.09Å; N538-R541 PolarHBondContact OD1-N 3.4Å; N538-R541 PolarHBondContact OD1-O 2.92Å
539	T	96.6	Very high	97	Very high	112 Å²	112	41 Å²	41	69%	0.687	21%	0.208	S	C	*	.	S	Bend	trans	-100.1	-7.8	-178.7	55.6	0	0	0	0	113.7	W184 H537	W184-T539 WeakPolarHBondContact CZ2-O 3.42Å; H537-T539 PolarHBondContact O-N 3.36Å
540	E	96.6	Very high	96.8	Very high	155 Å²	155	43.6 Å²	43.6	72%	0.724	22%	0.218	S	C	*	.	S	Bend	trans	-103.5	-25.4	-176.3	-61.4	-177.7	167.8	0	0	113.3	W184 N538	W184-E540 VanDerWaalsContact CH2-O 3.29Å; W184-E540 WeakPolarHBondContact CH2-O 3.28Å; N538-E540 PolarHBondContact OD1-N 3.48Å
541	R	96.9	Very high	96.7	Very high	89 Å²	89	43.9 Å²	43.9	34%	0.336	22%	0.219	S	C	.	.	S	Bend	trans	-150.9	164.5	-178.9	53.3	-173.7	135.2	167.3	-2.9	112	W184 R532 N538 F543 N544	W184-R541 WeakPolarHBondContact CZ2-O 3.49Å; R532-R541 PolarHBondContact NH1-O 3.36Å; N538-R541 WeakPolarHBondContact ND2-CG 3.49Å; N538-R541 WeakPolarHBondContact OD1-CG 3.09Å; N538-R541 PolarHBondContact OD1-N 3.4Å; N538-R541 PolarHBondContact OD1-O 2.92Å; R541-F543 VanDerWaalsContact CD-O 3.26Å; R541-F543 WeakPolarHBondContact CD-O 3.47Å; R541-F543 WeakPolarHBondContact CG-O 3.49Å; R541-F543 PolarHBondContact O-N 3.12Å; R541-N544 PolarHBondContact NH2-ND2 2.89Å
542	P	97.9	Very high	96.6	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.219	C	C	.	.	S	Bend	trans	-55.8	-35.9	176.1	-26.8	35.3	0	0	0	113.6	W184 Y187 W528 R532 M583	W184-P542 HydrophobicContact CB-CB 4.03Å; W184-P542 HydrophobicContact CB-CG 4.15Å; W184-P542 HydrophobicContact CD2-CB 4.36Å; W184-P542 HydrophobicContact CD2-CG 4.07Å; W184-P542 HydrophobicContact CE3-CB 4.4Å; W184-P542 VanDerWaalsContact CE3-CD 3.43Å; W184-P542 HydrophobicContact CE3-CG 3.63Å; W184-P542 HydrophobicContact CG-CB 4.22Å; W184-P542 HydrophobicContact CG-CG 4.31Å; W184-P542 HydrophobicContact CZ3-CG 4.43Å; Y187-P542 HydrophobicContact CD1-CG 3.64Å; Y187-P542 HydrophobicContact CE1-CG 3.98Å; Y187-P542 HydrophobicContact CG-CG 4.41Å; W528-P542 HydrophobicContact CH2-CB 4.47Å; W528-P542 HydrophobicContact CZ3-CB 3.96Å; R532-P542 WeakPolarHBondContact CD-O 2.95Å; R532-P542 PolarHBondContact NH1-O 3.14Å; P542-M583 HydrophobicContact CB-CE 4.35Å; P542-M583 HydrophobicContact CG-CE 4.07Å
543	F	98	Very high	96.6	Very high	1 Å²	1	45 Å²	45	0%	0.004	23%	0.227	C	C	.	.	S	Bend	trans	-168.6	157.2	173.7	48.5	-92.3	0	0	0	108.9	W528 L531 D535 R541 A548 M583	W528-F543 HydrophobicContact CZ3-CD1 4.45Å; L531-F543 HydrophobicContact CB-CD1 3.58Å; L531-F543 HydrophobicContact CB-CE1 3.52Å; L531-F543 HydrophobicContact CB-CE2 4.49Å; L531-F543 HydrophobicContact CB-CG 4.14Å; L531-F543 HydrophobicContact CB-CZ 4Å; L531-F543 HydrophobicContact CD1-CE1 3.77Å; L531-F543 HydrophobicContact CD1-CZ 3.78Å; L531-F543 HydrophobicContact CD2-CE1 4.37Å; L531-F543 HydrophobicContact CD2-CE2 4.09Å; L531-F543 HydrophobicContact CD2-CZ 3.97Å; L531-F543 HydrophobicContact CG-CE1 4.06Å; L531-F543 HydrophobicContact CG-CZ 4.11Å; D535-F543 HydrophobicContact CB-CB 4.32Å; R541-F543 VanDerWaalsContact CD-O 3.26Å; R541-F543 WeakPolarHBondContact CD-O 3.47Å; R541-F543 WeakPolarHBondContact CG-O 3.49Å; R541-F543 PolarHBondContact O-N 3.12Å; F543-A548 HydrophobicContact CD2-CB 3.65Å; F543-A548 HydrophobicContact CE2-CB 3.86Å; F543-M583 HydrophobicContact CE1-CE 3.97Å; F543-M583 HydrophobicContact CE2-CB 4.03Å; F543-M583 HydrophobicContact CE2-CE 4.45Å; F543-M583 WeakPolarHBondContact CE2-O 3.42Å; F543-M583 HydrophobicContact CZ-CB 3.95Å; F543-M583 HydrophobicContact CZ-CE 3.77Å
544	N	97.3	Very high	96.6	Very high	30 Å²	30	45 Å²	45	16%	0.16	23%	0.227	C	C	.	.			trans	-75.3	130.7	172.3	179.3	-66.6	0	0	0	111.8	D535 R541 D546 L547 A548	D535-N544 HydrophobicContact CB-CB 4.47Å; D535-N544 WeakPolarHBondContact OD2-CB 3.28Å; D535-N544 PolarHBondContact OD2-N 3.22Å; D535-N544 VanDerWaalsContact OD2-N 3.16Å; R541-N544 PolarHBondContact NH2-ND2 2.89Å; N544-D546 PolarHBondContact O-N 2.77Å; N544-D546 WeakPolarHBondContact OD1-CA 3.25Å; N544-D546 WeakPolarHBondContact OD1-CB 3.45Å; N544-D546 PolarHBondContact OD1-N 3.23Å; N544-L547 HydrophobicContact CB-CB 4.19Å; N544-L547 HydrophobicContact CB-CD1 4.04Å; N544-L547 HydrophobicContact CB-CG 4.13Å; N544-L547 PolarHBondContact O-N 3.37Å; N544-L547 PolarHBondContact OD1-N 3.14Å; N544-A548 PolarHBondContact O-N 2.82Å
545	N	96.8	Very high	96.7	Very high	54 Å²	54	46.5 Å²	46.5	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-61.1	-41.3	-177.3	-57.7	23.6	0	0	0	113.1	L547 A548 D549 K582 M583	N545-L547 VanDerWaalsContact C-N 3.34Å; N545-L547 PolarHBondContact O-N 3.39Å; N545-A548 PolarHBondContact O-N 2.83Å; N545-D549 VanDerWaalsContact O-CB 3.32Å; N545-D549 WeakPolarHBondContact O-CB 3.27Å; N545-D549 PolarHBondContact O-N 3.16Å; N545-K582 PolarHBondContact ND2-O 2.93Å; N545-M583 WeakPolarHBondContact CA-O 3.5Å; N545-M583 WeakPolarHBondContact CB-O 3.35Å; N545-M583 VanDerWaalsContact CG-O 3.27Å
546	D	95.1	Very high	96.7	Very high	116 Å²	116	45.2 Å²	45.2	62%	0.62	23%	0.227	S	C	*	.	H	α-helix	trans	-68.7	-35.4	-179	-61.4	-37.1	0	0	0	111.6	N544 Y550	N544-D546 PolarHBondContact O-N 2.77Å; N544-D546 WeakPolarHBondContact OD1-CA 3.25Å; N544-D546 WeakPolarHBondContact OD1-CB 3.45Å; N544-D546 PolarHBondContact OD1-N 3.23Å; D546-Y550 WeakPolarHBondContact O-CB 3.49Å; D546-Y550 PolarHBondContact O-N 3.27Å
547	L	94.6	Very high	96.8	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.288	22%	0.222	S	C	.	.	H	α-helix	trans	-70.6	-42.4	174.6	-67.7	-179.1	0	0	0	111.3	D535 N544 N545 Y550 W551	D535-L547 HydrophobicContact CB-CD1 3.92Å; N544-L547 HydrophobicContact CB-CB 4.19Å; N544-L547 HydrophobicContact CB-CD1 4.04Å; N544-L547 HydrophobicContact CB-CG 4.13Å; N544-L547 PolarHBondContact O-N 3.37Å; N544-L547 PolarHBondContact OD1-N 3.14Å; N545-L547 VanDerWaalsContact C-N 3.34Å; N545-L547 PolarHBondContact O-N 3.39Å; L547-Y550 PolarHBondContact O-N 3.07Å; L547-W551 VanDerWaalsContact O-CD1 3.27Å; L547-W551 PolarHBondContact O-N 2.84Å
548	A	96.3	Very high	96.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-46.9	172.5	0	0	0	0	0	110.9	L531 F543 N544 N545 Y550 W551 M552	L531-A548 HydrophobicContact CD2-CB 4.23Å; F543-A548 HydrophobicContact CD2-CB 3.65Å; F543-A548 HydrophobicContact CE2-CB 3.86Å; N544-A548 PolarHBondContact O-N 2.82Å; N545-A548 PolarHBondContact O-N 2.83Å; A548-Y550 VanDerWaalsContact C-N 3.27Å; A548-Y550 PolarHBondContact O-N 3.14Å; A548-W551 PolarHBondContact O-N 3.02Å; A548-M552 WeakPolarHBondContact O-CA 3.42Å; A548-M552 WeakPolarHBondContact O-CB 3.43Å; A548-M552 VanDerWaalsContact O-CG 3.31Å; A548-M552 WeakPolarHBondContact O-CG 3.24Å; A548-M552 PolarHBondContact O-N 3.43Å
549	D	95.8	Very high	96.6	Very high	42 Å²	42	37 Å²	37	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-28.1	179.9	-83.4	1.5	0	0	0	114.1	N545 T584 K585 H586	N545-D549 VanDerWaalsContact O-CB 3.32Å; N545-D549 WeakPolarHBondContact O-CB 3.27Å; N545-D549 PolarHBondContact O-N 3.16Å; D549-T584 WeakPolarHBondContact OD1-CA 3.32Å; D549-K585 HydrophobicContact CB-CD 4.15Å; D549-K585 HydrophobicContact CB-CG 4.47Å; D549-K585 WeakPolarHBondContact O-CE 3.34Å; D549-K585 PolarHBondContact O-NZ 2.98Å; D549-K585 WeakPolarHBondContact OD1-CG 3.27Å; D549-K585 PolarHBondContact OD1-N 3.34Å; D549-H586 PolarHBondContact O-NE2 3.33Å
550	Y	94.4	Very high	96.2	Very high	54 Å²	54	31.8 Å²	31.8	21%	0.212	16%	0.156	C	C	.	.	H	α-helix	trans	-76.1	-49.7	174.7	176.6	-100.3	0	0	0	111.8	K79 K83 Q121 D546 L547 A548	K79-Y550 HydrophobicContact CG-CE2 4.43Å; K83-Y550 HydrophobicContact CB-CE1 4.09Å; Q121-Y550 PolarHBondContact OE1-OH 3.14Å; D546-Y550 WeakPolarHBondContact O-CB 3.49Å; D546-Y550 PolarHBondContact O-N 3.27Å; L547-Y550 PolarHBondContact O-N 3.07Å; A548-Y550 VanDerWaalsContact C-N 3.27Å; A548-Y550 PolarHBondContact O-N 3.14Å
551	W	95.7	Very high	95.8	Very high	6 Å²	6	30.1 Å²	30.1	2%	0.023	15%	0.146	C	C	.	.	H	α-helix	trans	-82.4	-33.6	-173.6	-73.4	116.1	0	0	0	113.9	K83 Y85 Q121 I123 T534 L547 A548 P553	K83-W551 HydrophobicContact CB-CE3 3.99Å; K83-W551 HydrophobicContact CB-CZ3 3.78Å; K83-W551 HydrophobicContact CD-CE3 4.35Å; K83-W551 VanDerWaalsContact CE-O 3.25Å; K83-W551 WeakPolarHBondContact CE-O 3.24Å; K83-W551 PolarHBondContact NZ-O 3.13Å; Y85-W551 HydrophobicContact CD2-CB 4.48Å; Q121-W551 HydrophobicContact CB-CH2 3.99Å; Q121-W551 HydrophobicContact CB-CZ3 4.4Å; I123-W551 HydrophobicContact CB-CZ3 4.41Å; I123-W551 HydrophobicContact CD1-CB 4.2Å; I123-W551 HydrophobicContact CD1-CD2 3.69Å; I123-W551 HydrophobicContact CD1-CE3 3.66Å; I123-W551 HydrophobicContact CD1-CG 3.94Å; I123-W551 HydrophobicContact CD1-CZ3 4.31Å; I123-W551 HydrophobicContact CG1-CD2 4.16Å; I123-W551 HydrophobicContact CG1-CE3 3.66Å; I123-W551 HydrophobicContact CG1-CH2 4.5Å; I123-W551 HydrophobicContact CG1-CZ3 3.85Å; I123-W551 HydrophobicContact CG2-CD2 4.43Å; I123-W551 HydrophobicContact CG2-CE3 4.26Å; I123-W551 HydrophobicContact CG2-CH2 3.69Å; I123-W551 HydrophobicContact CG2-CZ2 3.84Å; I123-W551 HydrophobicContact CG2-CZ3 3.9Å; T534-W551 HydrophobicContact CG2-CB 3.85Å; T534-W551 HydrophobicContact CG2-CG 4.47Å; L547-W551 VanDerWaalsContact O-CD1 3.27Å; L547-W551 PolarHBondContact O-N 2.84Å; A548-W551 PolarHBondContact O-N 3.02Å; W551-P553 VanDerWaalsContact O-O 3.12Å
552	M	97.3	Very high	95.1	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-80.3	158.2	-178.2	-65.1	-62.4	-70.5	0	0	112	Y85 Y530 L531 T534 A548 V554 H586 P589	Y85-M552 HydrophobicContact CD2-SD 4.14Å; Y85-M552 HydrophobicContact CE2-SD 3.93Å; Y530-M552 HydrophobicContact CD2-CE 3.31Å; Y530-M552 HydrophobicContact CD2-SD 4.05Å; Y530-M552 HydrophobicContact CE2-CE 3.59Å; Y530-M552 HydrophobicContact CG-CE 4.47Å; L531-M552 HydrophobicContact CD2-CE 4.3Å; L531-M552 HydrophobicContact CD2-CG 3.91Å; L531-M552 HydrophobicContact CD2-SD 4.4Å; T534-M552 HydrophobicContact CG2-CG 4.37Å; A548-M552 WeakPolarHBondContact O-CA 3.42Å; A548-M552 WeakPolarHBondContact O-CB 3.43Å; A548-M552 VanDerWaalsContact O-CG 3.31Å; A548-M552 WeakPolarHBondContact O-CG 3.24Å; A548-M552 PolarHBondContact O-N 3.43Å; M552-V554 HydrophobicContact CE-CG2 4.28Å; M552-V554 HydrophobicContact SD-CG2 4.14Å; M552-H586 HydrophobicContact CB-CB 4.4Å; M552-H586 VanDerWaalsContact CB-CD2 3.5Å; M552-H586 WeakPolarHBondContact CB-CD2 3.33Å; M552-H586 PolarHBondContact O-CE1 2.86Å; M552-H586 PolarHBondContact O-NE2 2.79Å; M552-P589 HydrophobicContact CE-CB 4.16Å; M552-P589 VanDerWaalsContact CE-O 3.24Å; M552-P589 WeakPolarHBondContact CE-O 3.47Å
553	P	97.6	Very high	94.7	Very high	27 Å²	27	31.6 Å²	31.6	18%	0.175	16%	0.157	C	C	.	.	S	Bend	cis	-66.3	165.5	-10.5	33.3	-37.7	0	0	0	111.6	K83 W551 D555 H591	K83-P553 PolarHBondContact NZ-O 2.77Å; W551-P553 VanDerWaalsContact O-O 3.12Å; P553-D555 PolarHBondContact O-N 2.95Å; P553-H591 HydrophobicContact CB-CB 4.42Å; P553-H591 HydrophobicContact CG-CB 4.01Å
554	V	98.7	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	124.5	165.5	178.9	0	0	0	0	107.7	Y85 L87 M552 L556 Y557 P589 F590 H591	Y85-V554 HydrophobicContact CD2-CB 4.25Å; Y85-V554 HydrophobicContact CD2-CG2 3.71Å; Y85-V554 HydrophobicContact CE2-CG2 3.65Å; Y85-V554 HydrophobicContact CG-CB 4.47Å; Y85-V554 HydrophobicContact CG-CG1 4.39Å; Y85-V554 HydrophobicContact CG-CG2 4.27Å; Y85-V554 WeakPolarHBondContact O-CG1 3.24Å; L87-V554 HydrophobicContact CB-CG1 3.72Å; L87-V554 HydrophobicContact CB-CG2 4.49Å; L87-V554 HydrophobicContact CD2-CG2 4.05Å; M552-V554 HydrophobicContact CE-CG2 4.28Å; M552-V554 HydrophobicContact SD-CG2 4.14Å; V554-L556 WeakPolarHBondContact CG1-O 3.49Å; V554-Y557 HydrophobicContact CG1-CD2 4.42Å; V554-P589 WeakPolarHBondContact CB-O 3.26Å; V554-P589 PolarHBondContact N-O 2.83Å; V554-F590 HydrophobicContact CB-CD1 3.9Å; V554-F590 HydrophobicContact CG1-CD1 4.47Å; V554-F590 HydrophobicContact CG2-CD1 3.84Å; V554-F590 HydrophobicContact CG2-CE1 4.23Å; V554-H591 WeakPolarHBondContact O-CB 3.4Å; V554-H591 PolarHBondContact O-N 2.67Å
555	D	98.2	Very high	93.8	Very high	30 Å²	30	31.9 Å²	31.9	16%	0.16	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-39.2	-176	-62.3	-73.7	0	0	0	111.6	K83 F84 Y85 P553 K592	K83-D555 WeakPolarHBondContact CD-OD2 3.42Å; K83-D555 IonicContact NZ-OD1 2.64Å; K83-D555 PolarHBondContact NZ-OD1 3.19Å; K83-D555 IonicContact NZ-OD2 2.76Å; K83-D555 PolarHBondContact NZ-OD2 2.54Å; F84-D555 WeakPolarHBondContact CA-OD2 3.43Å; F84-D555 HydrophobicContact CD2-CB 3.86Å; F84-D555 HydrophobicContact CE1-CB 4.35Å; F84-D555 HydrophobicContact CE2-CB 3.62Å; F84-D555 HydrophobicContact CG-CB 4.32Å; F84-D555 HydrophobicContact CZ-CB 3.91Å; Y85-D555 PolarHBondContact N-OD2 3.13Å; Y85-D555 PolarHBondContact O-N 3.41Å; P553-D555 PolarHBondContact O-N 2.95Å; D555-K592 WeakPolarHBondContact O-CB 3.41Å; D555-K592 PolarHBondContact O-N 3.25Å
556	L	98	Very high	93.3	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	113	175.7	-177.9	68.5	0	0	0	110.7	F84 Y85 V86 L87 V111 V554 I558 K592 L594 H748	F84-L556 HydrophobicContact CE1-CB 4.28Å; F84-L556 HydrophobicContact CZ-CB 4.13Å; Y85-L556 PolarHBondContact O-N 2.89Å; V86-L556 WeakPolarHBondContact CA-O 3.27Å; V86-L556 HydrophobicContact CG2-CB 4.43Å; V86-L556 HydrophobicContact CG2-CD2 4.23Å; L87-L556 PolarHBondContact N-O 3.33Å; V111-L556 HydrophobicContact CB-CD2 4.49Å; V111-L556 HydrophobicContact CG1-CD2 4.01Å; V111-L556 HydrophobicContact CG2-CD2 4.08Å; V554-L556 WeakPolarHBondContact CG1-O 3.49Å; L556-I558 HydrophobicContact CD2-CD1 4.01Å; L556-I558 HydrophobicContact CD2-CG1 4.08Å; L556-I558 HydrophobicContact CG-CD1 4.37Å; L556-I558 HydrophobicContact CG-CG1 3.98Å; L556-K592 HydrophobicContact CD1-CB 4.14Å; L556-L594 HydrophobicContact CD1-CB 4.02Å; L556-H748 WeakPolarHBondContact CD2-NE2 3.25Å
557	Y	98.1	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131	171.4	-164.9	-119.1	0	0	0	110.4	L87 M89 Y529 V554 H567 L568 F590 K592 L593 L594	L87-Y557 HydrophobicContact CB-CD2 3.93Å; L87-Y557 HydrophobicContact CB-CE2 4.32Å; L87-Y557 HydrophobicContact CD2-CD2 3.79Å; L87-Y557 HydrophobicContact CD2-CE2 3.54Å; L87-Y557 HydrophobicContact CG-CD2 3.8Å; L87-Y557 HydrophobicContact CG-CE2 3.67Å; L87-Y557 CarbonylContact O-C 3.51Å; L87-Y557 WeakPolarHBondContact O-CA 3.48Å; L87-Y557 WeakPolarHBondContact O-CD2 3.49Å; M89-Y557 HydrophobicContact CE-CD1 4.4Å; M89-Y557 HydrophobicContact CE-CE1 3.56Å; M89-Y557 HydrophobicContact CG-CE1 3.84Å; M89-Y557 WeakPolarHBondContact CG-OH 3.48Å; Y529-Y557 VanDerWaalsContact OH-CE2 3.27Å; Y529-Y557 WeakPolarHBondContact OH-CE2 3.15Å; Y529-Y557 PolarHBondContact OH-OH 3.06Å; V554-Y557 HydrophobicContact CG1-CD2 4.42Å; Y557-H567 AromaticContact CE1-NE2 3.8Å; Y557-H567 AromaticContact CZ-NE2 3.61Å; Y557-H567 PolarHBondContact OH-NE2 2.67Å; Y557-L568 HydrophobicContact CD1-CD2 3.81Å; Y557-L568 HydrophobicContact CE1-CD2 3.6Å; Y557-F590 HydrophobicContact CD1-CD1 4.14Å; Y557-F590 AromaticContact CD1-CD2 4Å; Y557-F590 HydrophobicContact CD1-CD2 4Å; Y557-F590 HydrophobicContact CD1-CE1 4.22Å; Y557-F590 HydrophobicContact CD1-CE2 4.09Å; Y557-F590 HydrophobicContact CD1-CG 4.04Å; Y557-F590 HydrophobicContact CD1-CZ 4.2Å; Y557-F590 AromaticContact CD2-CD1 3.77Å; Y557-F590 HydrophobicContact CD2-CD1 3.77Å; Y557-F590 AromaticContact CD2-CE1 3.75Å; Y557-F590 HydrophobicContact CD2-CE1 3.75Å; Y557-F590 HydrophobicContact CD2-CG 4.43Å; Y557-F590 HydrophobicContact CD2-CZ 4.4Å; Y557-F590 HydrophobicContact CE1-CD2 4.45Å; Y557-F590 HydrophobicContact CE1-CE1 4.29Å; Y557-F590 HydrophobicContact CE1-CE2 4.07Å; Y557-F590 AromaticContact CE1-CZ 3.99Å; Y557-F590 HydrophobicContact CE1-CZ 3.99Å; Y557-F590 HydrophobicContact CE2-CD1 4.33Å; Y557-F590 AromaticContact CE2-CE1 3.84Å; Y557-F590 HydrophobicContact CE2-CE1 3.84Å; Y557-F590 HydrophobicContact CE2-CZ 4.2Å; Y557-F590 HydrophobicContact CG-CB 4.4Å; Y557-F590 AromaticContact CG-CD1 3.66Å; Y557-F590 HydrophobicContact CG-CD1 3.66Å; Y557-F590 HydrophobicContact CG-CD2 4.29Å; Y557-F590 AromaticContact CG-CE1 3.96Å; Y557-F590 HydrophobicContact CG-CE1 3.96Å; Y557-F590 AromaticContact CG-CG 3.86Å; Y557-F590 HydrophobicContact CG-CG 3.86Å; Y557-F590 HydrophobicContact CG-CZ 4.4Å; Y557-F590 AromaticContact CZ-CZ 3.99Å; Y557-K592 PolarHBondContact N-O 3.16Å; Y557-L593 HydrophobicContact CD1-CD1 3.64Å; Y557-L593 HydrophobicContact CG-CD1 4.36Å; Y557-L593 CarbonylContact O-C 3.59Å; Y557-L593 WeakPolarHBondContact O-CA 3.39Å; Y557-L594 PolarHBondContact O-N 3.49Å
558	I	96.9	Very high	93.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.8	-175	-52.9	157.8	0	0	0	108.4	V86 L87 S88 M89 V104 I107 L556 L594	V86-I558 HydrophobicContact CG2-CD1 3.79Å; L87-I558 PolarHBondContact O-N 3.23Å; S88-I558 WeakPolarHBondContact CA-O 3.49Å; M89-I558 PolarHBondContact N-O 2.76Å; V104-I558 HydrophobicContact CG1-CB 4.43Å; V104-I558 HydrophobicContact CG1-CG2 3.92Å; I107-I558 HydrophobicContact CG2-CD1 3.86Å; I107-I558 HydrophobicContact CG2-CG2 4.4Å; L556-I558 HydrophobicContact CD2-CD1 4.01Å; L556-I558 HydrophobicContact CD2-CG1 4.08Å; L556-I558 HydrophobicContact CG-CD1 4.37Å; L556-I558 HydrophobicContact CG-CG1 3.98Å; I558-L594 WeakPolarHBondContact CA-O 3.32Å; I558-L594 HydrophobicContact CG1-CB 4.15Å; I558-L594 HydrophobicContact CG1-CD2 4.32Å; I558-L594 HydrophobicContact CG2-CB 4.45Å; I558-L594 HydrophobicContact CG2-CD2 4.33Å
559	G	92.3	Very high	93.4	Very high	1 Å²	1	23 Å²	23	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	169.9	-170.7	0	0	0	0	0	115.5	M89 L594 V595 Q596	M89-G559 WeakPolarHBondContact SD-CA 3.28Å; G559-L594 PolarHBondContact N-O 3.11Å; G559-L594 VanDerWaalsContact N-O 3.14Å; G559-V595 CarbonylContact O-C 3.17Å; G559-V595 VanDerWaalsContact O-CA 3.31Å; G559-V595 WeakPolarHBondContact O-CA 3.32Å; G559-Q596 VanDerWaalsContact O-CD 3.25Å; G559-Q596 PolarHBondContact O-N 2.93Å; G559-Q596 PolarHBondContact O-OE1 2.81Å
560	G	87.3	Confident	93.5	Very high	2 Å²	2	21 Å²	21	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	147	-176.9	0	0	0	0	0	112.5	M89 E562 H563	M89-G560 PolarHBondContact SD-N 2.98Å; G560-E562 WeakPolarHBondContact CA-OE2 3.32Å; G560-E562 PolarHBondContact O-N 3.21Å; G560-H563 PolarHBondContact O-N 3.39Å
561	K	87.9	Confident	93.7	Very high	119 Å²	119	18.4 Å²	18.4	52%	0.517	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-60.9	-27.3	177.6	-173.6	168.8	160.4	163.7	0	112.7	I265 M268 H563 A564 V595	I265-K561 HydrophobicContact CD1-CG 4.26Å; M268-K561 HydrophobicContact CE-CD 4Å; M268-K561 HydrophobicContact CE-CG 3.83Å; M268-K561 VanDerWaalsContact SD-CE 3.58Å; M268-K561 HydrophobicContact SD-CG 4.44Å; K561-H563 PolarHBondContact O-N 2.74Å; K561-A564 VanDerWaalsContact O-CB 3.31Å; K561-A564 WeakPolarHBondContact O-CB 3.47Å; K561-A564 PolarHBondContact O-N 2.8Å; K561-A564 VanDerWaalsContact O-N 3.11Å; K561-V595 HydrophobicContact CB-CG1 3.55Å; K561-V595 HydrophobicContact CG-CG1 4.3Å
562	E	83	Confident	93.8	Very high	82 Å²	82	18.1 Å²	18.1	38%	0.383	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-58	-18.9	178.2	62.9	-94.9	-131.7	0	0	113.6	G560 K640	G560-E562 WeakPolarHBondContact CA-OE2 3.32Å; G560-E562 PolarHBondContact O-N 3.21Å; E562-K640 IonicContact OE1-NZ 3.58Å; E562-K640 PolarHBondContact OE1-NZ 3.16Å
563	H	89.5	Confident	93.8	Very high	40 Å²	40	18 Å²	18	19%	0.185	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-95.6	8.8	-178.1	-70.8	-56.5	0	0	0	113.8	M89 G560 K561 V565 H567 L568	M89-H563 HydrophobicContact CE-CB 3.62Å; M89-H563 HydrophobicContact SD-CB 4.19Å; M89-H563 PolarHBondContact SD-CD2 3.06Å; G560-H563 PolarHBondContact O-N 3.39Å; K561-H563 PolarHBondContact O-N 2.74Å; H563-V565 PolarHBondContact O-N 2.87Å; H563-H567 HydrophobicContact CB-CB 4.04Å; H563-L568 WeakPolarHBondContact O-CB 3.49Å; H563-L568 WeakPolarHBondContact O-CG 3.37Å; H563-L568 PolarHBondContact O-N 2.7Å
564	A	88.8	Confident	93.9	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.033	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-50.2	-175.3	0	0	0	0	0	114.4	I265 M268 Q269 K561	I265-A564 HydrophobicContact CD1-CB 3.6Å; I265-A564 HydrophobicContact CG2-CB 4.37Å; M268-A564 HydrophobicContact CB-CB 4.34Å; M268-A564 HydrophobicContact CE-CB 4Å; M268-A564 HydrophobicContact SD-CB 4.06Å; Q269-A564 WeakPolarHBondContact CG-O 3.22Å; Q269-A564 PolarHBondContact NE2-O 3.26Å; K561-A564 VanDerWaalsContact O-CB 3.31Å; K561-A564 WeakPolarHBondContact O-CB 3.47Å; K561-A564 PolarHBondContact O-N 2.8Å; K561-A564 VanDerWaalsContact O-N 3.11Å
565	V	87.4	Confident	93.9	Very high	33 Å²	33	16.8 Å²	16.8	20%	0.2	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-0.1	-173.4	-59.8	0	0	0	0	113.4	M268 W272 H563 F569	M268-V565 HydrophobicContact CB-CG1 4.31Å; W272-V565 HydrophobicContact CB-CB 4.21Å; W272-V565 HydrophobicContact CB-CG1 3.68Å; W272-V565 HydrophobicContact CD2-CB 3.78Å; W272-V565 HydrophobicContact CD2-CG1 4.12Å; W272-V565 HydrophobicContact CD2-CG2 4.2Å; W272-V565 HydrophobicContact CE3-CB 4.17Å; W272-V565 HydrophobicContact CE3-CG1 4.35Å; W272-V565 HydrophobicContact CE3-CG2 4.14Å; W272-V565 HydrophobicContact CG-CB 3.77Å; W272-V565 HydrophobicContact CG-CG1 3.81Å; W272-V565 HydrophobicContact CZ3-CG2 4.46Å; H563-V565 PolarHBondContact O-N 2.87Å; V565-F569 WeakPolarHBondContact O-CB 3.28Å
566	M	86.6	Confident	93.9	Very high	26 Å²	26	15.8 Å²	15.8	13%	0.128	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-104.1	177.1	-60.6	177.9	87.6	0	0	109.2	E218 Q219 F523 L568 F569 Y570	E218-M566 HydrophobicContact CB-CE 3.73Å; E218-M566 HydrophobicContact CB-CG 3.77Å; E218-M566 HydrophobicContact CB-SD 4.23Å; E218-M566 HydrophobicContact CG-CG 4.19Å; Q219-M566 HydrophobicContact CG-CE 3.98Å; F523-M566 HydrophobicContact CD2-CE 4.22Å; F523-M566 HydrophobicContact CE1-CB 4.25Å; F523-M566 HydrophobicContact CE2-CE 3.23Å; F523-M566 HydrophobicContact CE2-SD 4.43Å; F523-M566 HydrophobicContact CZ-CB 4.14Å; F523-M566 HydrophobicContact CZ-CE 3.47Å; F523-M566 VanDerWaalsContact CZ-CE 3.47Å; F523-M566 HydrophobicContact CZ-SD 4.12Å; M566-L568 VanDerWaalsContact C-N 3.34Å; M566-L568 PolarHBondContact O-N 2.74Å; M566-F569 WeakPolarHBondContact O-CA 3.4Å; M566-F569 WeakPolarHBondContact O-CB 3.49Å; M566-F569 PolarHBondContact O-N 3.05Å; M566-Y570 VanDerWaalsContact C-CD2 3.48Å; M566-Y570 HydrophobicContact CB-CE2 4.36Å; M566-Y570 VanDerWaalsContact O-CD2 3.24Å; M566-Y570 WeakPolarHBondContact O-CD2 3.45Å; M566-Y570 PolarHBondContact O-N 2.76Å
567	H	93.9	Very high	93.9	Very high	9 Å²	9	15.9 Å²	15.9	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-45.7	-50.4	179.8	168.6	69.7	0	0	0	113.8	F523 S526 Y529 Y557 H563 F569 Y570 A571	F523-H567 HydrophobicContact CD1-CB 4.09Å; F523-H567 HydrophobicContact CE1-CB 3.98Å; S526-H567 PolarHBondContact O-CE1 3.46Å; S526-H567 PolarHBondContact O-ND1 3.14Å; Y529-H567 AromaticContact CE1-CE1 3.74Å; Y557-H567 AromaticContact CE1-NE2 3.8Å; Y557-H567 AromaticContact CZ-NE2 3.61Å; Y557-H567 PolarHBondContact OH-NE2 2.67Å; H563-H567 HydrophobicContact CB-CB 4.04Å; H567-F569 VanDerWaalsContact C-N 3.28Å; H567-F569 PolarHBondContact O-N 2.96Å; H567-Y570 PolarHBondContact O-N 3.24Å; H567-A571 WeakPolarHBondContact O-CB 3.4Å; H567-A571 PolarHBondContact O-N 2.72Å
568	L	97.1	Very high	93.9	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-65.3	-33.6	-178.4	-69.9	178.8	0	0	0	112.2	M89 I265 Y557 H563 M566 R572 F590 L593	M89-L568 HydrophobicContact CE-CD2 4.22Å; M89-L568 HydrophobicContact CE-CG 4.31Å; I265-L568 HydrophobicContact CD1-CD1 4.47Å; I265-L568 HydrophobicContact CG2-CD1 4Å; Y557-L568 HydrophobicContact CD1-CD2 3.81Å; Y557-L568 HydrophobicContact CE1-CD2 3.6Å; H563-L568 WeakPolarHBondContact O-CB 3.49Å; H563-L568 WeakPolarHBondContact O-CG 3.37Å; H563-L568 PolarHBondContact O-N 2.7Å; M566-L568 VanDerWaalsContact C-N 3.34Å; M566-L568 PolarHBondContact O-N 2.74Å; L568-R572 WeakPolarHBondContact O-CG 3.29Å; L568-R572 PolarHBondContact O-N 3.33Å; L568-F590 HydrophobicContact CD2-CD2 3.85Å; L568-F590 HydrophobicContact CD2-CE2 3.56Å; L568-L593 HydrophobicContact CD1-CD1 4.31Å; L568-L593 HydrophobicContact CD1-CD2 3.58Å; L568-L593 HydrophobicContact CD2-CD1 4.36Å
569	F	96.7	Very high	93.9	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-70.3	-48.3	175.7	175.7	-98.5	0	0	0	111.2	T245 M252 I273 L444 V565 M566 H567 A571 R572 F573	T245-F569 HydrophobicContact CG2-CE1 4.26Å; M252-F569 HydrophobicContact CE-CD2 4.34Å; M252-F569 HydrophobicContact CE-CE1 4.38Å; M252-F569 HydrophobicContact CE-CE2 3.42Å; M252-F569 VanDerWaalsContact CE-CE2 3.42Å; M252-F569 HydrophobicContact CE-CZ 3.46Å; M252-F569 VanDerWaalsContact CE-CZ 3.46Å; M252-F569 HydrophobicContact SD-CD2 4.45Å; M252-F569 HydrophobicContact SD-CE2 4.07Å; M252-F569 HydrophobicContact SD-CZ 4.47Å; I273-F569 HydrophobicContact CD1-CD2 4.35Å; I273-F569 HydrophobicContact CD1-CE2 3.93Å; I273-F569 HydrophobicContact CG1-CD2 4.27Å; I273-F569 HydrophobicContact CG1-CE2 3.67Å; L444-F569 HydrophobicContact CD1-CE1 4.4Å; L444-F569 HydrophobicContact CD1-CZ 3.88Å; L444-F569 HydrophobicContact CD2-CZ 4.1Å; V565-F569 WeakPolarHBondContact O-CB 3.28Å; M566-F569 WeakPolarHBondContact O-CA 3.4Å; M566-F569 WeakPolarHBondContact O-CB 3.49Å; M566-F569 PolarHBondContact O-N 3.05Å; H567-F569 VanDerWaalsContact C-N 3.28Å; H567-F569 PolarHBondContact O-N 2.96Å; F569-A571 VanDerWaalsContact C-N 3.34Å; F569-A571 PolarHBondContact O-N 3.24Å; F569-R572 PolarHBondContact O-N 2.88Å; F569-F573 PolarHBondContact O-N 3.41Å
570	Y	97.6	Very high	94.2	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-36.2	179.1	-57	-43.8	0	0	0	112.7	E218 W447 F523 M566 H567 R572 F573 F574	E218-Y570 PolarHBondContact OE1-OH 3.25Å; W447-Y570 HydrophobicContact CB-CE1 4.03Å; W447-Y570 AromaticContact CD1-CE1 4Å; W447-Y570 AromaticContact CD1-CZ 3.84Å; W447-Y570 AromaticContact CD2-CD1 3.64Å; W447-Y570 HydrophobicContact CD2-CD1 3.64Å; W447-Y570 AromaticContact CD2-CE1 3.49Å; W447-Y570 HydrophobicContact CD2-CE1 3.49Å; W447-Y570 VanDerWaalsContact CD2-CE1 3.49Å; W447-Y570 HydrophobicContact CD2-CE2 4.41Å; W447-Y570 HydrophobicContact CD2-CG 4.21Å; W447-Y570 AromaticContact CD2-CZ 3.9Å; W447-Y570 AromaticContact CE2-CE1 3.91Å; W447-Y570 AromaticContact CE2-CE2 3.97Å; W447-Y570 AromaticContact CE2-CZ 3.84Å; W447-Y570 AromaticContact CE3-CD1 3.4Å; W447-Y570 HydrophobicContact CE3-CD1 3.4Å; W447-Y570 AromaticContact CE3-CE1 3.76Å; W447-Y570 HydrophobicContact CE3-CE1 3.76Å; W447-Y570 AromaticContact CE3-CG 3.93Å; W447-Y570 HydrophobicContact CE3-CG 3.93Å; W447-Y570 HydrophobicContact CG-CD1 4.23Å; W447-Y570 AromaticContact CG-CE1 3.61Å; W447-Y570 HydrophobicContact CG-CE1 3.61Å; W447-Y570 AromaticContact CG-CZ 3.94Å; W447-Y570 HydrophobicContact CH2-CD1 4.08Å; W447-Y570 HydrophobicContact CH2-CD2 4.02Å; W447-Y570 AromaticContact CH2-CG 3.72Å; W447-Y570 HydrophobicContact CH2-CG 3.72Å; W447-Y570 HydrophobicContact CZ2-CD1 4.34Å; W447-Y570 AromaticContact CZ2-CD2 3.96Å; W447-Y570 HydrophobicContact CZ2-CD2 3.96Å; W447-Y570 HydrophobicContact CZ2-CE2 4.13Å; W447-Y570 HydrophobicContact CZ2-CG 4.06Å; W447-Y570 AromaticContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD2 4.38Å; W447-Y570 HydrophobicContact CZ3-CE1 4.34Å; W447-Y570 AromaticContact CZ3-CG 3.65Å; W447-Y570 HydrophobicContact CZ3-CG 3.65Å; W447-Y570 AromaticContact NE1-CZ 3.8Å; F523-Y570 HydrophobicContact CB-CD2 3.67Å; F523-Y570 HydrophobicContact CB-CE2 3.94Å; F523-Y570 HydrophobicContact CD1-CD2 4.35Å; F523-Y570 HydrophobicContact CD2-CE2 4.2Å; F523-Y570 AromaticContact CG-CD2 3.99Å; F523-Y570 HydrophobicContact CG-CD2 3.99Å; F523-Y570 HydrophobicContact CG-CE2 4.02Å; M566-Y570 VanDerWaalsContact C-CD2 3.48Å; M566-Y570 HydrophobicContact CB-CE2 4.36Å; M566-Y570 VanDerWaalsContact O-CD2 3.24Å; M566-Y570 WeakPolarHBondContact O-CD2 3.45Å; M566-Y570 PolarHBondContact O-N 2.76Å; H567-Y570 PolarHBondContact O-N 3.24Å; Y570-R572 VanDerWaalsContact C-N 3.35Å; Y570-R572 PolarHBondContact O-N 2.92Å; Y570-F573 WeakPolarHBondContact O-CB 3.35Å; Y570-F573 PolarHBondContact O-N 3Å; Y570-F574 PolarHBondContact O-N 3.47Å
571	A	98.4	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-43.8	174.3	0	0	0	0	0	112	A527 Y530 H567 F569 F574 S575 P589 F590	A527-A571 WeakPolarHBondContact O-CA 3.47Å; Y530-A571 HydrophobicContact CE1-CB 3.79Å; Y530-A571 PolarHBondContact OH-O 2.81Å; H567-A571 WeakPolarHBondContact O-CB 3.4Å; H567-A571 PolarHBondContact O-N 2.72Å; F569-A571 VanDerWaalsContact C-N 3.34Å; F569-A571 PolarHBondContact O-N 3.24Å; A571-F574 PolarHBondContact O-N 3.26Å; A571-S575 WeakPolarHBondContact O-CB 3.46Å; A571-S575 PolarHBondContact O-N 2.82Å; A571-P589 HydrophobicContact CB-CG 4.43Å; A571-F590 HydrophobicContact CB-CE2 3.78Å; A571-F590 HydrophobicContact CB-CZ 3.74Å
572	R	98.4	Very high	95.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-45.7	175.1	-68.2	175.4	71.3	-135.3	-7.5	111.4	M252 L256 W262 L568 F569 Y570 F574 S575 H576 E588 P589	M252-R572 PolarHBondContact O-NH1 3.1Å; M252-R572 PolarHBondContact O-NH2 2.99Å; M252-R572 HydrophobicContact SD-CB 4.14Å; L256-R572 VanDerWaalsContact CD2-NH1 3.33Å; W262-R572 HydrophobicContact CH2-CG 4.23Å; L568-R572 WeakPolarHBondContact O-CG 3.29Å; L568-R572 PolarHBondContact O-N 3.33Å; F569-R572 PolarHBondContact O-N 2.88Å; Y570-R572 VanDerWaalsContact C-N 3.35Å; Y570-R572 PolarHBondContact O-N 2.92Å; R572-F574 PolarHBondContact O-N 2.86Å; R572-S575 WeakPolarHBondContact O-CB 3.08Å; R572-S575 PolarHBondContact O-N 3.45Å; R572-S575 VanDerWaalsContact O-N 3.15Å; R572-H576 PolarHBondContact O-CD2 2.7Å; R572-H576 VanDerWaalsContact O-CD2 3.24Å; R572-H576 PolarHBondContact O-N 3.16Å; R572-E588 WeakPolarHBondContact CG-OE2 3.45Å; R572-E588 IonicContact CZ-OE1 3.53Å; R572-E588 IonicContact CZ-OE2 3.4Å; R572-E588 IonicContact NE-OE1 3.18Å; R572-E588 PolarHBondContact NE-OE1 2.97Å; R572-E588 IonicContact NE-OE2 3.57Å; R572-E588 PolarHBondContact NE-OE2 2.68Å; R572-E588 IonicContact NH2-OE1 3.7Å; R572-E588 PolarHBondContact NH2-OE1 3.36Å; R572-E588 IonicContact NH2-OE2 2.8Å; R572-P589 HydrophobicContact CG-CG 4.19Å
573	F	98.4	Very high	95.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-53.8	-51.2	175.6	166	-92.9	0	0	0	111.8	L192 I197 I243 T245 Y248 M252 F569 Y570 S575 H576 F577	L192-F573 HydrophobicContact CD2-CE1 4.13Å; L192-F573 HydrophobicContact CD2-CZ 3.87Å; I197-F573 HydrophobicContact CG2-CE2 4.46Å; I197-F573 HydrophobicContact CG2-CZ 3.99Å; I243-F573 HydrophobicContact CG2-CD1 4.47Å; I243-F573 HydrophobicContact CG2-CE1 3.49Å; I243-F573 VanDerWaalsContact CG2-CE1 3.49Å; I243-F573 HydrophobicContact CG2-CE2 4.16Å; I243-F573 HydrophobicContact CG2-CZ 3.3Å; T245-F573 HydrophobicContact CG2-CD1 4.46Å; T245-F573 HydrophobicContact CG2-CD2 3.98Å; T245-F573 HydrophobicContact CG2-CE2 4.2Å; T245-F573 HydrophobicContact CG2-CG 4.12Å; Y248-F573 AromaticContact CD2-CD2 3.95Å; Y248-F573 HydrophobicContact CD2-CD2 3.95Å; Y248-F573 AromaticContact CD2-CE2 3.57Å; Y248-F573 HydrophobicContact CD2-CE2 3.57Å; Y248-F573 HydrophobicContact CE2-CE2 4.17Å; Y248-F573 HydrophobicContact CG-CD2 4.19Å; Y248-F573 HydrophobicContact CG-CE2 4.26Å; M252-F573 HydrophobicContact CE-CB 4.3Å; M252-F573 HydrophobicContact SD-CB 3.89Å; F569-F573 PolarHBondContact O-N 3.41Å; Y570-F573 WeakPolarHBondContact O-CB 3.35Å; Y570-F573 PolarHBondContact O-N 3Å; F573-S575 VanDerWaalsContact C-N 3.31Å; F573-S575 PolarHBondContact O-N 3.37Å; F573-H576 PolarHBondContact O-N 3.24Å; F573-F577 WeakPolarHBondContact O-CB 3.34Å; F573-F577 PolarHBondContact O-N 2.76Å
574	F	98.5	Very high	96.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-35.7	179	-97.5	-92.9	0	0	0	112.5	L188 L192 I243 W447 V524 A527 W528 Y570 A571 R572 F577 C578	L188-F574 HydrophobicContact CB-CE1 4.06Å; L188-F574 HydrophobicContact CD1-CD1 4.3Å; L188-F574 HydrophobicContact CD1-CE1 4.05Å; L192-F574 HydrophobicContact CD1-CE1 4.22Å; L192-F574 HydrophobicContact CD1-CZ 3.96Å; I243-F574 HydrophobicContact CD1-CE2 4.46Å; W447-F574 HydrophobicContact CH2-CE2 4.31Å; W447-F574 HydrophobicContact CZ3-CD2 4.34Å; W447-F574 AromaticContact CZ3-CE2 3.83Å; W447-F574 HydrophobicContact CZ3-CE2 3.83Å; V524-F574 HydrophobicContact CG1-CE2 4.47Å; V524-F574 HydrophobicContact CG1-CZ 4.06Å; A527-F574 HydrophobicContact CB-CB 4.31Å; A527-F574 HydrophobicContact CB-CD2 3.3Å; A527-F574 HydrophobicContact CB-CE2 3.74Å; A527-F574 HydrophobicContact CB-CG 3.93Å; A527-F574 WeakPolarHBondContact O-CB 3.36Å; W528-F574 HydrophobicContact CB-CB 4.45Å; W528-F574 HydrophobicContact CB-CD1 4.12Å; W528-F574 HydrophobicContact CB-CG 4.44Å; Y570-F574 PolarHBondContact O-N 3.47Å; A571-F574 PolarHBondContact O-N 3.26Å; R572-F574 PolarHBondContact O-N 2.86Å; F574-F577 PolarHBondContact O-N 3.33Å; F574-C578 VanDerWaalsContact O-CB 3.31Å; F574-C578 WeakPolarHBondContact O-CB 3.3Å; F574-C578 PolarHBondContact O-N 3.34Å; F574-C578 PolarHBondContact O-SG 2.72Å
575	S	98.3	Very high	96.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-44.9	175.6	-163.5	0	0	0	0	112	Y530 A571 R572 F573 C578 C579 H586 K587	Y530-S575 WeakPolarHBondContact OH-CB 3.49Å; Y530-S575 PolarHBondContact OH-N 3.29Å; A571-S575 WeakPolarHBondContact O-CB 3.46Å; A571-S575 PolarHBondContact O-N 2.82Å; R572-S575 WeakPolarHBondContact O-CB 3.08Å; R572-S575 PolarHBondContact O-N 3.45Å; R572-S575 VanDerWaalsContact O-N 3.15Å; F573-S575 VanDerWaalsContact C-N 3.31Å; F573-S575 PolarHBondContact O-N 3.37Å; S575-C578 PolarHBondContact O-N 2.67Å; S575-C579 VanDerWaalsContact O-CB 3.31Å; S575-C579 WeakPolarHBondContact O-CB 2.99Å; S575-C579 PolarHBondContact O-N 2.7Å; S575-H586 PolarHBondContact OG-O 3.17Å; S575-K587 CarbonylContact C-O 3.52Å; S575-K587 WeakPolarHBondContact CB-O 3.3Å; S575-K587 PolarHBondContact OG-O 3.19Å
576	H	98.3	Very high	96.9	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-45.6	174.9	-82.9	-111.6	0	0	0	111.1	Y248 R572 F573 C579 D580 K587 E588	Y248-H576 HydrophobicContact CD1-CB 3.6Å; Y248-H576 HydrophobicContact CE1-CB 3.84Å; R572-H576 PolarHBondContact O-CD2 2.7Å; R572-H576 VanDerWaalsContact O-CD2 3.24Å; R572-H576 PolarHBondContact O-N 3.16Å; F573-H576 PolarHBondContact O-N 3.24Å; H576-C579 WeakPolarHBondContact O-CB 3.05Å; H576-C579 PolarHBondContact O-N 3.4Å; H576-D580 PolarHBondContact O-N 2.8Å; H576-K587 PolarHBondContact CD2-O 2.78Å; H576-K587 VanDerWaalsContact CD2-O 3.25Å; H576-K587 PolarHBondContact N-O 3.43Å; H576-E588 IonicContact CD2-OE1 3.74Å; H576-E588 IonicContact CE1-OE1 3.99Å; H576-E588 IonicContact NE2-OE1 2.61Å; H576-E588 PolarHBondContact NE2-OE1 2.91Å
577	F	98.3	Very high	97.3	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-46.1	176.9	177.4	-109.5	0	0	0	112.6	K191 L192 A195 I197 Y248 F573 F574 C579 D580 L581	K191-F577 HydrophobicContact CB-CE1 4.18Å; K191-F577 HydrophobicContact CB-CZ 4.06Å; L192-F577 HydrophobicContact CB-CZ 4.34Å; L192-F577 HydrophobicContact CD2-CD1 3.64Å; L192-F577 HydrophobicContact CD2-CD2 3.68Å; L192-F577 HydrophobicContact CD2-CE1 3.54Å; L192-F577 HydrophobicContact CD2-CE2 3.6Å; L192-F577 HydrophobicContact CD2-CG 3.7Å; L192-F577 HydrophobicContact CD2-CZ 3.51Å; L192-F577 HydrophobicContact CG-CD1 4.05Å; L192-F577 HydrophobicContact CG-CE1 3.58Å; L192-F577 HydrophobicContact CG-CE2 4.3Å; L192-F577 HydrophobicContact CG-CZ 3.71Å; A195-F577 HydrophobicContact CB-CE2 4.26Å; I197-F577 HydrophobicContact CD1-CD2 3.73Å; I197-F577 HydrophobicContact CD1-CE2 3.62Å; Y248-F577 HydrophobicContact CE2-CD2 4.39Å; F573-F577 WeakPolarHBondContact O-CB 3.34Å; F573-F577 PolarHBondContact O-N 2.76Å; F574-F577 PolarHBondContact O-N 3.33Å; F577-C579 VanDerWaalsContact C-N 3.27Å; F577-C579 PolarHBondContact O-N 3.21Å; F577-D580 PolarHBondContact O-N 3.32Å; F577-L581 HydrophobicContact CD1-CD1 4.31Å; F577-L581 HydrophobicContact CE1-CD1 3.57Å; F577-L581 HydrophobicContact CE1-CG 4.39Å; F577-L581 HydrophobicContact CE2-CD1 4.14Å; F577-L581 HydrophobicContact CE2-CG 4.26Å; F577-L581 HydrophobicContact CZ-CD1 3.48Å; F577-L581 VanDerWaalsContact CZ-CD1 3.48Å; F577-L581 HydrophobicContact CZ-CG 4.1Å; F577-L581 PolarHBondContact O-N 2.96Å; F577-L581 VanDerWaalsContact O-N 3.11Å
578	C	98.2	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-33.7	176.4	-69.8	0	0	0	0	112	F574 S575 L581 K582 M583 T584	F574-C578 VanDerWaalsContact O-CB 3.31Å; F574-C578 WeakPolarHBondContact O-CB 3.3Å; F574-C578 PolarHBondContact O-N 3.34Å; F574-C578 PolarHBondContact O-SG 2.72Å; S575-C578 PolarHBondContact O-N 2.67Å; C578-L581 PolarHBondContact O-N 3.32Å; C578-K582 PolarHBondContact O-N 3.47Å; C578-M583 HydrophobicContact CB-CB 4.22Å; C578-M583 WeakPolarHBondContact O-CB 3.13Å; C578-M583 PolarHBondContact O-N 2.81Å; C578-T584 HydrophobicContact CB-CG2 4.04Å
579	C	97.9	Very high	97.5	Very high	21 Å²	21	34.3 Å²	34.3	14%	0.142	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-42.9	174.7	-173.2	0	0	0	0	111.9	S575 H576 F577 L581 K582 T584 K587	S575-C579 VanDerWaalsContact O-CB 3.31Å; S575-C579 WeakPolarHBondContact O-CB 2.99Å; S575-C579 PolarHBondContact O-N 2.7Å; H576-C579 WeakPolarHBondContact O-CB 3.05Å; H576-C579 PolarHBondContact O-N 3.4Å; F577-C579 VanDerWaalsContact C-N 3.27Å; F577-C579 PolarHBondContact O-N 3.21Å; C579-L581 VanDerWaalsContact C-N 3.28Å; C579-L581 PolarHBondContact O-N 2.82Å; C579-K582 WeakPolarHBondContact O-CA 3.44Å; C579-K582 PolarHBondContact O-N 3.03Å; C579-T584 WeakPolarHBondContact CA-O 3.48Å; C579-K587 HydrophobicContact CB-CG 4.14Å; C579-K587 VanDerWaalsContact SG-CG 3.53Å
580	D	96.8	Very high	97.6	Very high	95 Å²	95	34.2 Å²	34.2	51%	0.508	16%	0.161	S	C	.	.	H	α-helix	trans	-65	-33.5	177.2	-75.9	-7.7	0	0	0	112.3	Y248 H576 F577 K582	Y248-D580 WeakPolarHBondContact CE1-OD2 3.27Å; Y248-D580 VanDerWaalsContact CZ-OD2 3.24Å; Y248-D580 PolarHBondContact OH-OD2 3.28Å; H576-D580 PolarHBondContact O-N 2.8Å; F577-D580 PolarHBondContact O-N 3.32Å; D580-K582 PolarHBondContact O-N 3.4Å
581	L	96.7	Very high	97.6	Very high	72 Å²	72	38.2 Å²	38.2	38%	0.377	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2	171.3	-66	-172.4	0	0	0	114.1	K191 F577 C578 C579 M583	K191-L581 HydrophobicContact CB-CD1 4.07Å; K191-L581 HydrophobicContact CD-CD1 4.33Å; K191-L581 HydrophobicContact CG-CD1 4.39Å; F577-L581 HydrophobicContact CD1-CD1 4.31Å; F577-L581 HydrophobicContact CE1-CD1 3.57Å; F577-L581 HydrophobicContact CE1-CG 4.39Å; F577-L581 HydrophobicContact CE2-CD1 4.14Å; F577-L581 HydrophobicContact CE2-CG 4.26Å; F577-L581 HydrophobicContact CZ-CD1 3.48Å; F577-L581 VanDerWaalsContact CZ-CD1 3.48Å; F577-L581 HydrophobicContact CZ-CG 4.1Å; F577-L581 PolarHBondContact O-N 2.96Å; F577-L581 VanDerWaalsContact O-N 3.11Å; C578-L581 PolarHBondContact O-N 3.32Å; C579-L581 VanDerWaalsContact C-N 3.28Å; C579-L581 PolarHBondContact O-N 2.82Å; L581-M583 HydrophobicContact CB-CG 3.97Å; L581-M583 HydrophobicContact CB-SD 4.13Å; L581-M583 HydrophobicContact CD1-SD 4.1Å; L581-M583 PolarHBondContact O-N 3.12Å
582	K	97.4	Very high	97.4	Very high	174 Å²	174	39.8 Å²	39.8	76%	0.757	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	29.2	-177.8	-51.9	176.4	-179	175.7	0	113.5	N545 C578 C579 D580	N545-K582 PolarHBondContact ND2-O 2.93Å; C578-K582 PolarHBondContact O-N 3.47Å; C579-K582 WeakPolarHBondContact O-CA 3.44Å; C579-K582 PolarHBondContact O-N 3.03Å; D580-K582 PolarHBondContact O-N 3.4Å
583	M	97.3	Very high	97.3	Very high	20 Å²	20	40.2 Å²	40.2	10%	0.099	19%	0.188	C	C	.	.	S	Bend	trans	-79.1	-27.2	174.4	-62.1	176.1	63.2	0	0	111.6	L188 P542 F543 N545 C578 L581	L188-M583 HydrophobicContact CD2-CE 4.05Å; L188-M583 HydrophobicContact CD2-SD 4.34Å; P542-M583 HydrophobicContact CB-CE 4.35Å; P542-M583 HydrophobicContact CG-CE 4.07Å; F543-M583 HydrophobicContact CE1-CE 3.97Å; F543-M583 HydrophobicContact CE2-CB 4.03Å; F543-M583 HydrophobicContact CE2-CE 4.45Å; F543-M583 WeakPolarHBondContact CE2-O 3.42Å; F543-M583 HydrophobicContact CZ-CB 3.95Å; F543-M583 HydrophobicContact CZ-CE 3.77Å; N545-M583 WeakPolarHBondContact CA-O 3.5Å; N545-M583 WeakPolarHBondContact CB-O 3.35Å; N545-M583 VanDerWaalsContact CG-O 3.27Å; C578-M583 HydrophobicContact CB-CB 4.22Å; C578-M583 WeakPolarHBondContact O-CB 3.13Å; C578-M583 PolarHBondContact O-N 2.81Å; L581-M583 HydrophobicContact CB-CG 3.97Å; L581-M583 HydrophobicContact CB-SD 4.13Å; L581-M583 HydrophobicContact CD1-SD 4.1Å; L581-M583 PolarHBondContact O-N 3.12Å
584	T	96.6	Very high	97.1	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.025	19%	0.19	C	C	.	.			trans	-144.7	151	173.6	174.5	0	0	0	0	108.6	D549 C578 C579 H586	D549-T584 WeakPolarHBondContact OD1-CA 3.32Å; C578-T584 HydrophobicContact CB-CG2 4.04Å; C579-T584 WeakPolarHBondContact CA-O 3.48Å; T584-H586 VanDerWaalsContact C-N 3.29Å; T584-H586 PolarHBondContact OG1-N 2.61Å
585	K	96.9	Very high	96.8	Very high	130 Å²	130	41.5 Å²	41.5	57%	0.565	20%	0.196	S	C	*	.	S	Bend	trans	-81.4	-9.6	172.3	73.6	-169.4	173	-165.6	0	113.6	D549	D549-K585 HydrophobicContact CB-CD 4.15Å; D549-K585 HydrophobicContact CB-CG 4.47Å; D549-K585 WeakPolarHBondContact O-CE 3.34Å; D549-K585 PolarHBondContact O-NZ 2.98Å; D549-K585 WeakPolarHBondContact OD1-CG 3.27Å; D549-K585 PolarHBondContact OD1-N 3.34Å
586	H	96.1	Very high	96.4	Very high	38 Å²	38	42.6 Å²	42.6	18%	0.176	20%	0.201	C	C	.	.			trans	-98.4	116.6	-171.7	-58.2	-77.7	0	0	0	111.1	D549 M552 S575 T584	D549-H586 PolarHBondContact O-NE2 3.33Å; M552-H586 HydrophobicContact CB-CB 4.4Å; M552-H586 VanDerWaalsContact CB-CD2 3.5Å; M552-H586 WeakPolarHBondContact CB-CD2 3.33Å; M552-H586 PolarHBondContact O-CE1 2.86Å; M552-H586 PolarHBondContact O-NE2 2.79Å; S575-H586 PolarHBondContact OG-O 3.17Å; T584-H586 VanDerWaalsContact C-N 3.29Å; T584-H586 PolarHBondContact OG1-N 2.61Å
587	K	95.7	Very high	95.9	Very high	122 Å²	122	42.5 Å²	42.5	53%	0.53	20%	0.202	S	C	.	.	S	Bend	trans	-72.2	-42.1	178.4	-70.7	-175	177.3	-173.6	0	113	S575 H576 C579	S575-K587 CarbonylContact C-O 3.52Å; S575-K587 WeakPolarHBondContact CB-O 3.3Å; S575-K587 PolarHBondContact OG-O 3.19Å; H576-K587 PolarHBondContact CD2-O 2.78Å; H576-K587 VanDerWaalsContact CD2-O 3.25Å; H576-K587 PolarHBondContact N-O 3.43Å; C579-K587 HydrophobicContact CB-CG 4.14Å; C579-K587 VanDerWaalsContact SG-CG 3.53Å
588	E	97.8	Very high	95.4	Very high	28 Å²	28	44.3 Å²	44.3	13%	0.131	21%	0.212	C	C	.	.			trans	-100.1	133	-179	-69.1	-65.1	155.6	0	0	110.7	A255 L259 R572 H576	A255-E588 HydrophobicContact CB-CG 4.45Å; A255-E588 WeakPolarHBondContact CB-OE1 3.12Å; L259-E588 HydrophobicContact CD2-CB 3.79Å; L259-E588 HydrophobicContact CD2-CG 3.67Å; L259-E588 HydrophobicContact CG-CG 4.39Å; R572-E588 WeakPolarHBondContact CG-OE2 3.45Å; R572-E588 IonicContact CZ-OE1 3.53Å; R572-E588 IonicContact CZ-OE2 3.4Å; R572-E588 IonicContact NE-OE1 3.18Å; R572-E588 PolarHBondContact NE-OE1 2.97Å; R572-E588 IonicContact NE-OE2 3.57Å; R572-E588 PolarHBondContact NE-OE2 2.68Å; R572-E588 IonicContact NH2-OE1 3.7Å; R572-E588 PolarHBondContact NH2-OE1 3.36Å; R572-E588 IonicContact NH2-OE2 2.8Å; H576-E588 IonicContact CD2-OE1 3.74Å; H576-E588 IonicContact CE1-OE1 3.99Å; H576-E588 IonicContact NE2-OE1 2.61Å; H576-E588 PolarHBondContact NE2-OE1 2.91Å
589	P	97.9	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-80.7	-28.1	-172.4	30.8	-34.7	0	0	0	113.3	Y530 M552 V554 A571 R572	Y530-P589 HydrophobicContact CD2-CB 3.96Å; Y530-P589 HydrophobicContact CE1-CB 4.02Å; Y530-P589 HydrophobicContact CE2-CB 3.34Å; Y530-P589 VanDerWaalsContact CZ-CB 3.41Å; M552-P589 HydrophobicContact CE-CB 4.16Å; M552-P589 VanDerWaalsContact CE-O 3.24Å; M552-P589 WeakPolarHBondContact CE-O 3.47Å; V554-P589 WeakPolarHBondContact CB-O 3.26Å; V554-P589 PolarHBondContact N-O 2.83Å; A571-P589 HydrophobicContact CB-CG 4.43Å; R572-P589 HydrophobicContact CG-CG 4.19Å
590	F	98.1	Very high	94.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.6	-175.4	-34.5	-61.8	0	0	0	110.4	W262 Y530 V554 Y557 L568 A571	W262-F590 AromaticContact CH2-CD2 3.92Å; W262-F590 HydrophobicContact CH2-CD2 3.92Å; W262-F590 HydrophobicContact CZ2-CB 3.84Å; W262-F590 AromaticContact CZ2-CD2 3.89Å; W262-F590 HydrophobicContact CZ2-CD2 3.89Å; W262-F590 HydrophobicContact CZ2-CG 4.37Å; W262-F590 WeakPolarHBondContact CZ2-O 3.4Å; W262-F590 PolarHBondContact NE1-O 3.07Å; Y530-F590 AromaticContact CD1-CE1 3.83Å; Y530-F590 HydrophobicContact CD1-CE1 3.83Å; Y530-F590 AromaticContact CD1-CZ 3.89Å; Y530-F590 HydrophobicContact CD1-CZ 3.89Å; Y530-F590 HydrophobicContact CE1-CE1 4.37Å; Y530-F590 HydrophobicContact CE1-CZ 4.12Å; Y530-F590 AromaticContact CG-CE1 3.97Å; Y530-F590 HydrophobicContact CG-CE1 3.97Å; Y530-F590 HydrophobicContact CG-CZ 4.49Å; V554-F590 HydrophobicContact CB-CD1 3.9Å; V554-F590 HydrophobicContact CG1-CD1 4.47Å; V554-F590 HydrophobicContact CG2-CD1 3.84Å; V554-F590 HydrophobicContact CG2-CE1 4.23Å; Y557-F590 HydrophobicContact CD1-CD1 4.14Å; Y557-F590 AromaticContact CD1-CD2 4Å; Y557-F590 HydrophobicContact CD1-CD2 4Å; Y557-F590 HydrophobicContact CD1-CE1 4.22Å; Y557-F590 HydrophobicContact CD1-CE2 4.09Å; Y557-F590 HydrophobicContact CD1-CG 4.04Å; Y557-F590 HydrophobicContact CD1-CZ 4.2Å; Y557-F590 AromaticContact CD2-CD1 3.77Å; Y557-F590 HydrophobicContact CD2-CD1 3.77Å; Y557-F590 AromaticContact CD2-CE1 3.75Å; Y557-F590 HydrophobicContact CD2-CE1 3.75Å; Y557-F590 HydrophobicContact CD2-CG 4.43Å; Y557-F590 HydrophobicContact CD2-CZ 4.4Å; Y557-F590 HydrophobicContact CE1-CD2 4.45Å; Y557-F590 HydrophobicContact CE1-CE1 4.29Å; Y557-F590 HydrophobicContact CE1-CE2 4.07Å; Y557-F590 AromaticContact CE1-CZ 3.99Å; Y557-F590 HydrophobicContact CE1-CZ 3.99Å; Y557-F590 HydrophobicContact CE2-CD1 4.33Å; Y557-F590 AromaticContact CE2-CE1 3.84Å; Y557-F590 HydrophobicContact CE2-CE1 3.84Å; Y557-F590 HydrophobicContact CE2-CZ 4.2Å; Y557-F590 HydrophobicContact CG-CB 4.4Å; Y557-F590 AromaticContact CG-CD1 3.66Å; Y557-F590 HydrophobicContact CG-CD1 3.66Å; Y557-F590 HydrophobicContact CG-CD2 4.29Å; Y557-F590 AromaticContact CG-CE1 3.96Å; Y557-F590 HydrophobicContact CG-CE1 3.96Å; Y557-F590 AromaticContact CG-CG 3.86Å; Y557-F590 HydrophobicContact CG-CG 3.86Å; Y557-F590 HydrophobicContact CG-CZ 4.4Å; Y557-F590 AromaticContact CZ-CZ 3.99Å; L568-F590 HydrophobicContact CD2-CD2 3.85Å; L568-F590 HydrophobicContact CD2-CE2 3.56Å; A571-F590 HydrophobicContact CB-CE2 3.78Å; A571-F590 HydrophobicContact CB-CZ 3.74Å
591	H	96.8	Very high	94.2	Very high	84 Å²	84	42.8 Å²	42.8	39%	0.389	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-55.9	178.8	-176.4	62.2	0	0	0	110.8	P260 W262 P553 V554	P260-H591 VanDerWaalsContact CD-O 3.29Å; P260-H591 WeakPolarHBondContact CD-O 3.45Å; P260-H591 VanDerWaalsContact CG-CE1 3.49Å; P260-H591 WeakPolarHBondContact CG-CE1 3.38Å; P260-H591 WeakPolarHBondContact CG-O 3.4Å; W262-H591 PolarHBondContact NE1-O 2.77Å; P553-H591 HydrophobicContact CB-CB 4.42Å; P553-H591 HydrophobicContact CG-CB 4.01Å; V554-H591 WeakPolarHBondContact O-CB 3.4Å; V554-H591 PolarHBondContact O-N 2.67Å
592	K	95.6	Very high	93.9	Very high	33 Å²	33	42.3 Å²	42.3	14%	0.143	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	152.3	174.2	-65.3	179.1	170.6	-145.8	0	111.3	P260 E261 D555 L556 Y557	P260-K592 HydrophobicContact CG-CG 4.47Å; E261-K592 WeakPolarHBondContact OE1-CE 3.39Å; E261-K592 IonicContact OE1-NZ 3.79Å; E261-K592 PolarHBondContact OE1-NZ 3.4Å; E261-K592 VanDerWaalsContact OE2-CD 3.25Å; E261-K592 WeakPolarHBondContact OE2-CD 3.31Å; E261-K592 WeakPolarHBondContact OE2-CE 3.33Å; E261-K592 IonicContact OE2-NZ 3.48Å; E261-K592 PolarHBondContact OE2-NZ 3.17Å; D555-K592 WeakPolarHBondContact O-CB 3.41Å; D555-K592 PolarHBondContact O-N 3.25Å; L556-K592 HydrophobicContact CD1-CB 4.14Å; Y557-K592 PolarHBondContact N-O 3.16Å
593	L	95.4	Very high	93.5	Very high	10 Å²	10	34 Å²	34	5%	0.052	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.6	177.8	-177.9	65.8	0	0	0	110	W262 I265 Y557 L568 V595	W262-L593 HydrophobicContact CD2-CB 4.12Å; W262-L593 HydrophobicContact CD2-CD2 4.06Å; W262-L593 HydrophobicContact CE3-CD2 4.05Å; W262-L593 HydrophobicContact CG-CB 4.04Å; W262-L593 HydrophobicContact CG-CD2 4.45Å; W262-L593 HydrophobicContact CZ3-CD2 4.48Å; I265-L593 HydrophobicContact CB-CD2 4.11Å; I265-L593 HydrophobicContact CD1-CD2 4.36Å; I265-L593 HydrophobicContact CG1-CD2 3.68Å; I265-L593 HydrophobicContact CG2-CD2 4.05Å; Y557-L593 HydrophobicContact CD1-CD1 3.64Å; Y557-L593 HydrophobicContact CG-CD1 4.36Å; Y557-L593 CarbonylContact O-C 3.59Å; Y557-L593 WeakPolarHBondContact O-CA 3.39Å; L568-L593 HydrophobicContact CD1-CD1 4.31Å; L568-L593 HydrophobicContact CD1-CD2 3.58Å; L568-L593 HydrophobicContact CD2-CD1 4.36Å; L593-V595 HydrophobicContact CD2-CG2 3.86Å; L593-V595 HydrophobicContact CG-CG2 3.85Å
594	L	94.8	Very high	93.1	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	102.9	168.8	-176.3	63.3	0	0	0	108.8	I107 L556 Y557 I558 G559 Q596 P673 E674 H748 F750	I107-L594 HydrophobicContact CG2-CD2 3.74Å; L556-L594 HydrophobicContact CD1-CB 4.02Å; Y557-L594 PolarHBondContact O-N 3.49Å; I558-L594 WeakPolarHBondContact CA-O 3.32Å; I558-L594 HydrophobicContact CG1-CB 4.15Å; I558-L594 HydrophobicContact CG1-CD2 4.32Å; I558-L594 HydrophobicContact CG2-CB 4.45Å; I558-L594 HydrophobicContact CG2-CD2 4.33Å; G559-L594 PolarHBondContact N-O 3.11Å; G559-L594 VanDerWaalsContact N-O 3.14Å; L594-Q596 PolarHBondContact O-N 3.43Å; L594-P673 HydrophobicContact CD1-CB 4.02Å; L594-P673 HydrophobicContact CD2-CB 4.08Å; L594-P673 HydrophobicContact CD2-CG 4.5Å; L594-P673 HydrophobicContact CG-CB 4.28Å; L594-E674 HydrophobicContact CD1-CG 4.3Å; L594-H748 HydrophobicContact CD1-CB 4.22Å; L594-H748 HydrophobicContact CD2-CB 4.06Å; L594-F750 HydrophobicContact CD2-CE2 4.47Å
595	V	92.8	Very high	92.9	Very high	22 Å²	22	35.7 Å²	35.7	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	103.6	178.4	-177.2	0	0	0	0	108.7	I265 G559 K561 L593 E674	I265-V595 HydrophobicContact CD1-CG2 4Å; I265-V595 HydrophobicContact CG1-CG2 3.71Å; G559-V595 CarbonylContact O-C 3.17Å; G559-V595 VanDerWaalsContact O-CA 3.31Å; G559-V595 WeakPolarHBondContact O-CA 3.32Å; K561-V595 HydrophobicContact CB-CG1 3.55Å; K561-V595 HydrophobicContact CG-CG1 4.3Å; L593-V595 HydrophobicContact CD2-CG2 3.86Å; L593-V595 HydrophobicContact CG-CG2 3.85Å; V595-E674 WeakPolarHBondContact O-CA 3.23Å
596	Q	89	Confident	92.2	Very high	23 Å²	23	30.1 Å²	30.1	11%	0.107	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	145.4	-179	76.9	-92.4	-14.5	0	0	112.5	V104 G559 L594 P673	V104-Q596 VanDerWaalsContact CG2-CD 3.42Å; V104-Q596 HydrophobicContact CG2-CG 3.87Å; V104-Q596 VanDerWaalsContact CG2-NE2 3.32Å; G559-Q596 VanDerWaalsContact O-CD 3.25Å; G559-Q596 PolarHBondContact O-N 2.93Å; G559-Q596 PolarHBondContact O-OE1 2.81Å; L594-Q596 PolarHBondContact O-N 3.43Å; Q596-P673 CarbonylContact C-O 3.44Å; Q596-P673 WeakPolarHBondContact CA-O 3.31Å
597	G	87.5	Confident	91.6	Very high	5 Å²	5	32.7 Å²	32.7	5%	0.052	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-71.2	158.9	161.8	0	0	0	0	0	111.4	R103 P673 E674	R103-G597 PolarHBondContact NH1-O 2.96Å; G597-P673 PolarHBondContact N-O 2.89Å; G597-E674 WeakPolarHBondContact CA-O 3.47Å; G597-E674 PolarHBondContact N-O 3.29Å
598	L	88.8	Confident	90.8	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.225	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-84.2	150.1	-177.8	-58	175	0	0	0	111.1	K600 K640 D676 I677	L598-K600 HydrophobicContact CB-CG 4.32Å; L598-K640 HydrophobicContact CD1-CB 4.12Å; L598-K640 HydrophobicContact CD1-CD 4.15Å; L598-K640 HydrophobicContact CD1-CG 4.22Å; L598-K640 HydrophobicContact CD2-CD 4Å; L598-K640 HydrophobicContact CD2-CG 4.28Å; L598-D676 PolarHBondContact N-OD1 3.21Å; L598-D676 CarbonylContact O-C 3.57Å; L598-D676 WeakPolarHBondContact O-CA 3.34Å; L598-I677 PolarHBondContact O-N 3Å
599	I	88.2	Confident	89.9	Confident	4 Å²	4	35 Å²	35	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.5	159.6	-55.1	-163.4	0	0	0	107.4	M99 R103 M641 I677 W679	M99-I599 HydrophobicContact CB-CD1 4.01Å; M99-I599 HydrophobicContact CB-CG2 4.37Å; M99-I599 WeakPolarHBondContact O-CD1 3.4Å; R103-I599 HydrophobicContact CB-CD1 3.93Å; R103-I599 HydrophobicContact CB-CG1 4.26Å; I599-M641 HydrophobicContact CB-SD 4.48Å; I599-M641 HydrophobicContact CG2-CE 3.54Å; I599-M641 HydrophobicContact CG2-SD 3.97Å; I599-M641 PolarHBondContact O-N 3.16Å; I599-I677 HydrophobicContact CD1-CD1 4.3Å; I599-I677 HydrophobicContact CG1-CB 4.28Å; I599-I677 HydrophobicContact CG1-CD1 4.35Å; I599-W679 HydrophobicContact CG2-CB 4.41Å
600	K	90	Very high	89	Confident	50 Å²	50	36.9 Å²	36.9	22%	0.217	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.8	180	-62.1	-177.6	178	169.6	0	110.2	L598 W638 E639 D676 I677 L678 W679	L598-K600 HydrophobicContact CB-CG 4.32Å; K600-W638 HydrophobicContact CB-CE3 4.49Å; K600-E639 CarbonylContact C-O 3.48Å; K600-E639 WeakPolarHBondContact CA-O 3.27Å; K600-E639 WeakPolarHBondContact CB-O 3.42Å; K600-D676 HydrophobicContact CD-CB 4.41Å; K600-D676 WeakPolarHBondContact CE-OD2 3.18Å; K600-D676 IonicContact NZ-OD2 3.28Å; K600-D676 PolarHBondContact NZ-OD2 2.88Å; K600-I677 PolarHBondContact N-O 2.73Å; K600-L678 HydrophobicContact CB-CD2 3.93Å; K600-L678 HydrophobicContact CD-CD2 4.01Å; K600-L678 HydrophobicContact CG-CD2 4.47Å; K600-W679 WeakPolarHBondContact O-CB 3.5Å; K600-W679 PolarHBondContact O-N 3.48Å
601	N	89	Confident	88.2	Confident	29 Å²	29	42.2 Å²	42.2	16%	0.155	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.2	173.3	-161.2	5.6	0	0	0	110.2	T603 E639 M641 N647 W679	N601-T603 PolarHBondContact O-N 3.22Å; N601-T603 PolarHBondContact O-OG1 3.37Å; N601-E639 PolarHBondContact N-O 3.28Å; N601-E639 PolarHBondContact O-N 3.46Å; N601-E639 VanDerWaalsContact O-N 3.14Å; N601-M641 HydrophobicContact CB-CE 3.71Å; N601-M641 HydrophobicContact CB-CG 4.03Å; N601-N647 HydrophobicContact CB-CB 4.2Å; N601-N647 VanDerWaalsContact CB-O 3.25Å; N601-N647 WeakPolarHBondContact CB-O 3.49Å; N601-N647 PolarHBondContact ND2-O 2.92Å; N601-W679 PolarHBondContact OD1-O 3.17Å
602	Q	89.6	Confident	87.7	Confident	63 Å²	63	41.4 Å²	41.4	29%	0.294	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	129.9	171.6	-67.2	-172.7	-34.9	0	0	109.9	F604 V636 T637 W638 N647	Q602-F604 HydrophobicContact CB-CE2 3.94Å; Q602-F604 HydrophobicContact CB-CZ 3.78Å; Q602-V636 HydrophobicContact CB-CG1 4.39Å; Q602-V636 HydrophobicContact CG-CG1 4.49Å; Q602-T637 CarbonylContact C-O 3.43Å; Q602-T637 WeakPolarHBondContact CA-O 3.38Å; Q602-W638 HydrophobicContact CG-CD2 4.17Å; Q602-W638 HydrophobicContact CG-CE3 4.3Å; Q602-W638 HydrophobicContact CG-CH2 3.59Å; Q602-W638 HydrophobicContact CG-CZ2 3.45Å; Q602-W638 VanDerWaalsContact CG-CZ2 3.45Å; Q602-W638 HydrophobicContact CG-CZ3 4.03Å; Q602-N647 WeakPolarHBondContact O-CB 3.31Å
603	T	89.4	Confident	87.2	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.5	-177.8	-51.8	0	0	0	0	108	N601 Y612 V636 T637 E639 K645 N647	N601-T603 PolarHBondContact O-N 3.22Å; N601-T603 PolarHBondContact O-OG1 3.37Å; T603-Y612 HydrophobicContact CG2-CD1 3.52Å; T603-Y612 HydrophobicContact CG2-CE1 3.52Å; T603-V636 WeakPolarHBondContact O-CA 3.5Å; T603-T637 PolarHBondContact N-O 2.94Å; T603-T637 PolarHBondContact O-N 2.92Å; T603-E639 HydrophobicContact CG2-CG 4.49Å; T603-E639 WeakPolarHBondContact OG1-CB 3.34Å; T603-K645 HydrophobicContact CG2-CB 3.97Å; T603-K645 HydrophobicContact CG2-CD 4.41Å; T603-K645 HydrophobicContact CG2-CG 4.36Å; T603-N647 PolarHBondContact OG1-ND2 3.45Å
604	F	90.3	Very high	86.9	Confident	12 Å²	12	43.8 Å²	43.8	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.2	-169.6	-58.6	-84	0	0	0	109.3	Q602 Y612 L613 I618 F620 P625 I634 Q635 V636	Q602-F604 HydrophobicContact CB-CE2 3.94Å; Q602-F604 HydrophobicContact CB-CZ 3.78Å; F604-Y612 WeakPolarHBondContact O-CA 3.01Å; F604-L613 HydrophobicContact CB-CB 4.22Å; F604-L613 PolarHBondContact O-N 2.89Å; F604-I618 HydrophobicContact CB-CD1 3.36Å; F604-I618 HydrophobicContact CD1-CD1 3.58Å; F604-I618 HydrophobicContact CD2-CD1 3.41Å; F604-I618 VanDerWaalsContact CD2-CD1 3.41Å; F604-I618 HydrophobicContact CE1-CD1 4.18Å; F604-I618 HydrophobicContact CE2-CD1 4.05Å; F604-I618 HydrophobicContact CG-CD1 3.14Å; F604-I618 HydrophobicContact CZ-CD1 4.4Å; F604-F620 AromaticContact CE1-CE1 3.83Å; F604-F620 HydrophobicContact CE1-CE1 3.83Å; F604-F620 HydrophobicContact CE1-CZ 4.08Å; F604-F620 HydrophobicContact CE2-CZ 4.32Å; F604-F620 AromaticContact CZ-CE1 3.78Å; F604-F620 HydrophobicContact CZ-CE1 3.78Å; F604-F620 AromaticContact CZ-CZ 3.77Å; F604-F620 HydrophobicContact CZ-CZ 3.77Å; F604-P625 HydrophobicContact CE1-CG 4.4Å; F604-I634 HydrophobicContact CB-CG2 3.78Å; F604-I634 HydrophobicContact CD1-CG2 3.94Å; F604-I634 HydrophobicContact CG-CG2 4.37Å; F604-Q635 WeakPolarHBondContact CA-O 3.46Å; F604-V636 HydrophobicContact CD1-CB 4.47Å; F604-V636 HydrophobicContact CD1-CG1 4.15Å; F604-V636 HydrophobicContact CD1-CG2 3.88Å; F604-V636 HydrophobicContact CE1-CB 4.46Å; F604-V636 HydrophobicContact CE1-CG1 3.79Å; F604-V636 HydrophobicContact CE1-CG2 3.91Å; F604-V636 HydrophobicContact CZ-CG1 4.46Å
605	R	90.3	Very high	86.5	Confident	46 Å²	46	50.6 Å²	50.6	17%	0.174	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.7	177.1	-70.4	-173	-68.7	-127.2	-5.6	112	T607 G610 Q611 Y612 I634 Q635 E639	R605-T607 PolarHBondContact O-N 3.18Å; R605-G610 WeakPolarHBondContact CD-O 3.48Å; R605-Q611 CarbonylContact C-O 3.56Å; R605-Q611 VanDerWaalsContact CA-O 3.22Å; R605-Q611 WeakPolarHBondContact CA-O 3.34Å; R605-Y612 VanDerWaalsContact CD-CE1 3.49Å; R605-Y612 HydrophobicContact CG-CD1 3.45Å; R605-Y612 VanDerWaalsContact CG-CD1 3.45Å; R605-Y612 HydrophobicContact CG-CE1 3.53Å; R605-Y612 HydrophobicContact CG-CG 4.17Å; R605-Y612 PolarHBondContact NH1-OH 3.3Å; R605-I634 CarbonylContact O-C 3.58Å; R605-I634 WeakPolarHBondContact O-CA 3.34Å; R605-I634 WeakPolarHBondContact O-CG2 3.34Å; R605-Q635 PolarHBondContact N-O 2.98Å; R605-Q635 VanDerWaalsContact NE-OE1 3.14Å; R605-Q635 PolarHBondContact O-N 3.44Å; R605-E639 IonicContact CZ-OE1 2.83Å; R605-E639 VanDerWaalsContact CZ-OE1 3.24Å; R605-E639 IonicContact NH1-OE1 3.87Å; R605-E639 PolarHBondContact NH1-OE1 2.86Å; R605-E639 IonicContact NH1-OE2 2.73Å; R605-E639 IonicContact NH2-OE1 3.64Å; R605-E639 PolarHBondContact NH2-OE1 2.77Å; R605-E639 VanDerWaalsContact NH2-OE1 3.13Å
606	L	83.9	Confident	86.4	Confident	14 Å²	14	55.8 Å²	55.8	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.1	165.1	-70	176.4	0	0	0	109.7	T608 T609 G610 Q611 L613 H627 E632	L606-T608 PolarHBondContact O-N 2.79Å; L606-T609 WeakPolarHBondContact CB-OG1 3.47Å; L606-G610 VanDerWaalsContact O-CA 3.31Å; L606-G610 WeakPolarHBondContact O-CA 3.34Å; L606-G610 PolarHBondContact O-N 3.31Å; L606-Q611 HydrophobicContact CD1-CB 4.35Å; L606-Q611 PolarHBondContact N-O 2.89Å; L606-L613 HydrophobicContact CD1-CD2 4.31Å; L606-L613 HydrophobicContact CD2-CD1 3.87Å; L606-L613 HydrophobicContact CD2-CD2 4.42Å; L606-L613 HydrophobicContact CG-CD1 4.03Å; L606-L613 HydrophobicContact CG-CD2 4.01Å; L606-L613 HydrophobicContact CG-CG 4.24Å; L606-H627 HydrophobicContact CD2-CB 3.93Å; L606-E632 HydrophobicContact CD2-CB 4.27Å; L606-E632 HydrophobicContact CD2-CG 4.42Å
607	T	83.4	Confident	86.4	Confident	91 Å²	91	57.7 Å²	57.7	56%	0.558	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.6	-177.4	-47.5	0	0	0	0	111.5	R605 K633	R605-T607 PolarHBondContact O-N 3.18Å; T607-K633 PolarHBondContact N-O 3.33Å; T607-K633 PolarHBondContact OG1-O 3.36Å
608	T	78.8	Confident	86.5	Confident	106 Å²	106	58 Å²	58	65%	0.65	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-43.1	-178.3	59	0	0	0	0	113.5	L606 E632	L606-T608 PolarHBondContact O-N 2.79Å; T608-E632 VanDerWaalsContact CB-OE1 3.26Å; T608-E632 WeakPolarHBondContact CB-OE1 3.44Å; T608-E632 WeakPolarHBondContact CG2-OE1 3.4Å; T608-E632 PolarHBondContact N-OE1 2.79Å; T608-E632 PolarHBondContact OG1-OE1 3.33Å
609	T	78.3	Confident	86.6	Confident	93 Å²	93	58.1 Å²	58.1	57%	0.571	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-17	-172.6	63.4	0	0	0	0	114	L606 Q611	L606-T609 WeakPolarHBondContact CB-OG1 3.47Å; T609-Q611 PolarHBondContact O-N 2.93Å; T609-Q611 VanDerWaalsContact OG1-CB 3.32Å; T609-Q611 WeakPolarHBondContact OG1-CB 3.47Å; T609-Q611 PolarHBondContact OG1-N 2.63Å
610	G	79.6	Confident	86.7	Confident	39 Å²	39	62 Å²	62	40%	0.402	31%	0.309	S	S	.	.			trans	72.7	3.9	-171.5	0	0	0	0	0	114.4	R605 L606 Y612	R605-G610 WeakPolarHBondContact CD-O 3.48Å; L606-G610 VanDerWaalsContact O-CA 3.31Å; L606-G610 WeakPolarHBondContact O-CA 3.34Å; L606-G610 PolarHBondContact O-N 3.31Å; G610-Y612 PolarHBondContact O-N 2.88Å
611	Q	81	Confident	86.6	Confident	113 Å²	113	65.7 Å²	65.7	53%	0.528	34%	0.336	S	S	.	.			trans	-64.2	132.2	-179.9	-179.5	-178.4	-1.7	0	0	111.4	R605 L606 T609	R605-Q611 CarbonylContact C-O 3.56Å; R605-Q611 VanDerWaalsContact CA-O 3.22Å; R605-Q611 WeakPolarHBondContact CA-O 3.34Å; L606-Q611 HydrophobicContact CD1-CB 4.35Å; L606-Q611 PolarHBondContact N-O 2.89Å; T609-Q611 PolarHBondContact O-N 2.93Å; T609-Q611 VanDerWaalsContact OG1-CB 3.32Å; T609-Q611 WeakPolarHBondContact OG1-CB 3.47Å; T609-Q611 PolarHBondContact OG1-N 2.63Å
612	Y	85.9	Confident	86.3	Confident	66 Å²	66	66.6 Å²	66.6	26%	0.259	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-72.1	139.6	172.5	-66	-76.1	0	0	0	111.7	T603 F604 R605 G610 K645	T603-Y612 HydrophobicContact CG2-CD1 3.52Å; T603-Y612 HydrophobicContact CG2-CE1 3.52Å; F604-Y612 WeakPolarHBondContact O-CA 3.01Å; R605-Y612 VanDerWaalsContact CD-CE1 3.49Å; R605-Y612 HydrophobicContact CG-CD1 3.45Å; R605-Y612 VanDerWaalsContact CG-CD1 3.45Å; R605-Y612 HydrophobicContact CG-CE1 3.53Å; R605-Y612 HydrophobicContact CG-CG 4.17Å; R605-Y612 PolarHBondContact NH1-OH 3.3Å; G610-Y612 PolarHBondContact O-N 2.88Å; Y612-K645 HydrophobicContact CD1-CB 4.18Å; Y612-K645 HydrophobicContact CD1-CG 4.05Å; Y612-K645 HydrophobicContact CE1-CB 4.31Å; Y612-K645 HydrophobicContact CE1-CD 4.32Å; Y612-K645 HydrophobicContact CE1-CG 3.75Å; Y612-K645 HydrophobicContact CE2-CG 4.25Å; Y612-K645 HydrophobicContact CG-CG 4.44Å
613	L	85.1	Confident	85.9	Confident	3 Å²	3	71 Å²	71	2%	0.016	38%	0.384	C	S	.	.			trans	-113.7	145.3	-176.4	-62.1	174.9	0	0	0	111.5	F604 L606 I618 I634	F604-L613 HydrophobicContact CB-CB 4.22Å; F604-L613 PolarHBondContact O-N 2.89Å; L606-L613 HydrophobicContact CD1-CD2 4.31Å; L606-L613 HydrophobicContact CD2-CD1 3.87Å; L606-L613 HydrophobicContact CD2-CD2 4.42Å; L606-L613 HydrophobicContact CG-CD1 4.03Å; L606-L613 HydrophobicContact CG-CD2 4.01Å; L606-L613 HydrophobicContact CG-CG 4.24Å; L613-I618 HydrophobicContact CB-CD1 4.32Å; L613-I618 HydrophobicContact CB-CG1 4.34Å; L613-I618 HydrophobicContact CD1-CG1 4.49Å; L613-I634 HydrophobicContact CD1-CD1 3.45Å; L613-I634 VanDerWaalsContact CD1-CD1 3.45Å; L613-I634 HydrophobicContact CD1-CG1 3.71Å; L613-I634 HydrophobicContact CD1-CG2 4.46Å
614	K	89.1	Confident	85.8	Confident	90 Å²	90	77.1 Å²	77.1	39%	0.391	41%	0.413	S	S	.	.			trans	-77.7	157.4	168.2	-58.8	178.7	-175.4	176.7	0	110.4	E616 E617 I618 H646	K614-E616 VanDerWaalsContact C-N 3.26Å; K614-E616 HydrophobicContact CB-CG 4.2Å; K614-E616 WeakPolarHBondContact CD-OE1 3.46Å; K614-E616 PolarHBondContact O-N 3.23Å; K614-E617 HydrophobicContact CB-CG 4.24Å; K614-E617 WeakPolarHBondContact CB-OE2 3.45Å; K614-E617 PolarHBondContact N-OE2 3.4Å; K614-E617 WeakPolarHBondContact O-CB 2.97Å; K614-E617 PolarHBondContact O-N 2.97Å; K614-I618 WeakPolarHBondContact O-CG1 3.24Å; K614-H646 HydrophobicContact CG-CB 4.05Å
615	R	85.9	Confident	85.7	Confident	150 Å²	150	77.9 Å²	77.9	57%	0.566	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-59.9	-36.8	-178	-171.9	174.6	-176.2	78.4	4.3	112.6	E617 I618 F620	R615-E617 PolarHBondContact O-N 3.47Å; R615-I618 PolarHBondContact O-N 2.95Å; R615-F620 HydrophobicContact CG-CE2 3.95Å; R615-F620 HydrophobicContact CG-CZ 4.31Å
616	E	90.4	Very high	85.8	Confident	131 Å²	131	77.8 Å²	77.8	61%	0.612	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-69.8	-11.4	177.4	58.8	-93.7	-152.4	0	0	114.5	K614 I618 L628	K614-E616 VanDerWaalsContact C-N 3.26Å; K614-E616 HydrophobicContact CB-CG 4.2Å; K614-E616 WeakPolarHBondContact CD-OE1 3.46Å; K614-E616 PolarHBondContact O-N 3.23Å; E616-I618 VanDerWaalsContact C-N 3.29Å; E616-L628 WeakPolarHBondContact O-CD2 3.38Å
617	E	89.3	Confident	86.2	Confident	64 Å²	64	78.2 Å²	78.2	30%	0.299	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-92	7.6	177.2	-60.4	176.3	118	0	0	112.2	K614 R615 H627 L628	K614-E617 HydrophobicContact CB-CG 4.24Å; K614-E617 WeakPolarHBondContact CB-OE2 3.45Å; K614-E617 PolarHBondContact N-OE2 3.4Å; K614-E617 WeakPolarHBondContact O-CB 2.97Å; K614-E617 PolarHBondContact O-N 2.97Å; R615-E617 PolarHBondContact O-N 3.47Å; E617-H627 PolarHBondContact O-CD2 3.21Å; E617-L628 WeakPolarHBondContact O-CB 3.31Å; E617-L628 PolarHBondContact O-N 2.76Å
618	I	90.3	Very high	86.6	Confident	10 Å²	10	78.4 Å²	78.4	5%	0.051	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132	-169.8	-53.8	174	0	0	0	110.1	F604 L613 K614 R615 E616 F620 P625 I634	F604-I618 HydrophobicContact CB-CD1 3.36Å; F604-I618 HydrophobicContact CD1-CD1 3.58Å; F604-I618 HydrophobicContact CD2-CD1 3.41Å; F604-I618 VanDerWaalsContact CD2-CD1 3.41Å; F604-I618 HydrophobicContact CE1-CD1 4.18Å; F604-I618 HydrophobicContact CE2-CD1 4.05Å; F604-I618 HydrophobicContact CG-CD1 3.14Å; F604-I618 HydrophobicContact CZ-CD1 4.4Å; L613-I618 HydrophobicContact CB-CD1 4.32Å; L613-I618 HydrophobicContact CB-CG1 4.34Å; L613-I618 HydrophobicContact CD1-CG1 4.49Å; K614-I618 WeakPolarHBondContact O-CG1 3.24Å; R615-I618 PolarHBondContact O-N 2.95Å; E616-I618 VanDerWaalsContact C-N 3.29Å; I618-F620 HydrophobicContact CB-CD2 4.38Å; I618-F620 HydrophobicContact CB-CE2 3.73Å; I618-F620 HydrophobicContact CB-CZ 3.93Å; I618-F620 HydrophobicContact CD1-CZ 4.2Å; I618-F620 HydrophobicContact CG2-CD1 4.29Å; I618-F620 HydrophobicContact CG2-CD2 4.09Å; I618-F620 HydrophobicContact CG2-CE1 3.89Å; I618-F620 HydrophobicContact CG2-CE2 3.67Å; I618-F620 HydrophobicContact CG2-CG 4.39Å; I618-F620 HydrophobicContact CG2-CZ 3.56Å; I618-P625 HydrophobicContact CG2-CB 3.64Å; I618-I634 HydrophobicContact CB-CD1 4.3Å; I618-I634 HydrophobicContact CD1-CD1 4.4Å; I618-I634 HydrophobicContact CG1-CD1 3.84Å; I618-I634 HydrophobicContact CG2-CD1 3.88Å
619	D	90.8	Very high	87.2	Confident	47 Å²	47	82.3 Å²	82.3	25%	0.251	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.7	168.7	-172.4	-4.8	0	0	0	110.1	T621 P625 V626 L628	D619-T621 VanDerWaalsContact CG-OG1 3.27Å; D619-T621 VanDerWaalsContact OD1-CB 3.27Å; D619-T621 WeakPolarHBondContact OD1-CB 3.46Å; D619-T621 VanDerWaalsContact OD1-CG2 3.24Å; D619-T621 WeakPolarHBondContact OD1-CG2 3.38Å; D619-T621 PolarHBondContact OD1-N 3.11Å; D619-T621 PolarHBondContact OD1-OG1 2.82Å; D619-T621 PolarHBondContact OD2-OG1 3.29Å; D619-P625 WeakPolarHBondContact O-CA 3.43Å; D619-V626 HydrophobicContact CB-CG2 4.01Å; D619-V626 PolarHBondContact N-O 3.22Å; D619-V626 PolarHBondContact O-N 2.93Å; D619-L628 HydrophobicContact CB-CD1 3.91Å
620	F	89.7	Confident	87.7	Confident	86 Å²	86	82.2 Å²	82.2	38%	0.377	43%	0.429	S	S	.	.			trans	-104	7.5	177.9	-65.1	-82.3	0	0	0	113.3	F604 R615 I618 G622 P625	F604-F620 AromaticContact CE1-CE1 3.83Å; F604-F620 HydrophobicContact CE1-CE1 3.83Å; F604-F620 HydrophobicContact CE1-CZ 4.08Å; F604-F620 HydrophobicContact CE2-CZ 4.32Å; F604-F620 AromaticContact CZ-CE1 3.78Å; F604-F620 HydrophobicContact CZ-CE1 3.78Å; F604-F620 AromaticContact CZ-CZ 3.77Å; F604-F620 HydrophobicContact CZ-CZ 3.77Å; R615-F620 HydrophobicContact CG-CE2 3.95Å; R615-F620 HydrophobicContact CG-CZ 4.31Å; I618-F620 HydrophobicContact CB-CD2 4.38Å; I618-F620 HydrophobicContact CB-CE2 3.73Å; I618-F620 HydrophobicContact CB-CZ 3.93Å; I618-F620 HydrophobicContact CD1-CZ 4.2Å; I618-F620 HydrophobicContact CG2-CD1 4.29Å; I618-F620 HydrophobicContact CG2-CD2 4.09Å; I618-F620 HydrophobicContact CG2-CE1 3.89Å; I618-F620 HydrophobicContact CG2-CE2 3.67Å; I618-F620 HydrophobicContact CG2-CG 4.39Å; I618-F620 HydrophobicContact CG2-CZ 3.56Å; F620-G622 VanDerWaalsContact C-N 3.34Å; F620-P625 HydrophobicContact CD1-CB 4.17Å; F620-P625 HydrophobicContact CE1-CB 4.19Å
621	T	88.2	Confident	88.1	Confident	126 Å²	126	82.7 Å²	82.7	77%	0.773	43%	0.434	S	S	*	.	S	Bend	trans	-73.9	-25	-175.7	61	0	0	0	0	113.4	D619	D619-T621 VanDerWaalsContact CG-OG1 3.27Å; D619-T621 VanDerWaalsContact OD1-CB 3.27Å; D619-T621 WeakPolarHBondContact OD1-CB 3.46Å; D619-T621 VanDerWaalsContact OD1-CG2 3.24Å; D619-T621 WeakPolarHBondContact OD1-CG2 3.38Å; D619-T621 PolarHBondContact OD1-N 3.11Å; D619-T621 PolarHBondContact OD1-OG1 2.82Å; D619-T621 PolarHBondContact OD2-OG1 3.29Å
622	G	82.6	Confident	88.6	Confident	49 Å²	49	79.7 Å²	79.7	51%	0.505	42%	0.42	S	S	.	.	S	Bend	trans	-84.4	-179.5	176.4	0	0	0	0	0	114.4	F620 E624	F620-G622 VanDerWaalsContact C-N 3.34Å; G622-E624 VanDerWaalsContact C-N 3.31Å
623	T	81.9	Confident	88.8	Confident	155 Å²	155	83.3 Å²	83.3	95%	0.951	44%	0.437	S	S	*	.	S	Bend	trans	-70	-27.7	175.1	47.8	0	0	0	0	113.2
624	E	86.4	Confident	89.1	Confident	129 Å²	129	84 Å²	84	60%	0.603	44%	0.441	S	S	*	.	S	Bend	trans	-126.5	142.8	174.4	-65.4	-174.1	168.1	0	0	109.2	G622	G622-E624 VanDerWaalsContact C-N 3.31Å
625	P	88.6	Confident	89.1	Confident	28 Å²	28	84 Å²	84	18%	0.182	44%	0.442	C	S	.	.			trans	-69.7	137.5	177.3	26.9	-30.9	0	0	0	111.3	F604 I618 D619 F620 V636	F604-P625 HydrophobicContact CE1-CG 4.4Å; I618-P625 HydrophobicContact CG2-CB 3.64Å; D619-P625 WeakPolarHBondContact O-CA 3.43Å; F620-P625 HydrophobicContact CD1-CB 4.17Å; F620-P625 HydrophobicContact CE1-CB 4.19Å; P625-V636 HydrophobicContact CG-CG2 3.39Å
626	V	92.6	Very high	89.3	Confident	43 Å²	43	79.7 Å²	79.7	26%	0.261	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	160	176.9	-63.1	0	0	0	0	110.5	D619 L628 E632 I634	D619-V626 HydrophobicContact CB-CG2 4.01Å; D619-V626 PolarHBondContact N-O 3.22Å; D619-V626 PolarHBondContact O-N 2.93Å; V626-L628 PolarHBondContact O-N 3Å; V626-E632 CarbonylContact C-O 3.44Å; V626-E632 WeakPolarHBondContact CA-O 3.25Å; V626-E632 WeakPolarHBondContact CB-O 3.21Å; V626-I634 WeakPolarHBondContact O-CD1 3.42Å
627	H	92.8	Very high	89.3	Confident	23 Å²	23	74.9 Å²	74.9	11%	0.106	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.6	177.8	-179.8	-104.2	0	0	0	110.3	L606 E617 K629 T630 G631 E632 I634	L606-H627 HydrophobicContact CD2-CB 3.93Å; E617-H627 PolarHBondContact O-CD2 3.21Å; H627-K629 PolarHBondContact O-N 3.28Å; H627-K629 VanDerWaalsContact O-N 3.08Å; H627-T630 WeakPolarHBondContact CB-OG1 3.47Å; H627-T630 PolarHBondContact ND1-N 3.05Å; H627-T630 PolarHBondContact ND1-OG1 3.42Å; H627-T630 PolarHBondContact O-N 3.37Å; H627-G631 WeakPolarHBondContact O-CA 3.37Å; H627-G631 PolarHBondContact O-N 2.92Å; H627-E632 HydrophobicContact CB-CB 4.28Å; H627-E632 PolarHBondContact N-O 2.7Å; H627-I634 HydrophobicContact CB-CD1 4.25Å; H627-I634 HydrophobicContact CB-CG1 4.42Å; H627-I634 VanDerWaalsContact N-CD1 3.34Å
628	L	91.6	Very high	89.3	Confident	96 Å²	96	76.1 Å²	76.1	50%	0.503	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.1	-167.4	-178.3	66.3	0	0	0	113.3	E616 E617 D619 V626	E616-L628 WeakPolarHBondContact O-CD2 3.38Å; E617-L628 WeakPolarHBondContact O-CB 3.31Å; E617-L628 PolarHBondContact O-N 2.76Å; D619-L628 HydrophobicContact CB-CD1 3.91Å; V626-L628 PolarHBondContact O-N 3Å
629	K	90.9	Very high	89.1	Confident	187 Å²	187	77 Å²	77	81%	0.813	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-33.5	-176.6	-65.9	-179.6	-179.9	172.3	0	114.2	H627	H627-K629 PolarHBondContact O-N 3.28Å; H627-K629 VanDerWaalsContact O-N 3.08Å
630	T	89.1	Confident	88.8	Confident	91 Å²	91	78.9 Å²	78.9	56%	0.558	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-14.6	-169.8	61.1	0	0	0	0	112.9	H627 E632	H627-T630 WeakPolarHBondContact CB-OG1 3.47Å; H627-T630 PolarHBondContact ND1-N 3.05Å; H627-T630 PolarHBondContact ND1-OG1 3.42Å; H627-T630 PolarHBondContact O-N 3.37Å; T630-E632 PolarHBondContact O-N 3.29Å; T630-E632 WeakPolarHBondContact OG1-CB 3.21Å; T630-E632 PolarHBondContact OG1-N 3.41Å
631	G	88.8	Confident	88.6	Confident	49 Å²	49	74.9 Å²	74.9	51%	0.505	41%	0.406	S	S	.	.			trans	67.4	10.3	-171.6	0	0	0	0	0	113.7	H627	H627-G631 WeakPolarHBondContact O-CA 3.37Å; H627-G631 PolarHBondContact O-N 2.92Å
632	E	90.2	Very high	88.1	Confident	50 Å²	50	70.1 Å²	70.1	23%	0.234	38%	0.378	C	S	.	.			trans	-66.9	145.3	-178.8	-166.5	-173.9	147.6	0	0	111.3	L606 T608 V626 H627 T630	L606-E632 HydrophobicContact CD2-CB 4.27Å; L606-E632 HydrophobicContact CD2-CG 4.42Å; T608-E632 VanDerWaalsContact CB-OE1 3.26Å; T608-E632 WeakPolarHBondContact CB-OE1 3.44Å; T608-E632 WeakPolarHBondContact CG2-OE1 3.4Å; T608-E632 PolarHBondContact N-OE1 2.79Å; T608-E632 PolarHBondContact OG1-OE1 3.33Å; V626-E632 CarbonylContact C-O 3.44Å; V626-E632 WeakPolarHBondContact CA-O 3.25Å; V626-E632 WeakPolarHBondContact CB-O 3.21Å; H627-E632 HydrophobicContact CB-CB 4.28Å; H627-E632 PolarHBondContact N-O 2.7Å; T630-E632 PolarHBondContact O-N 3.29Å; T630-E632 WeakPolarHBondContact OG1-CB 3.21Å; T630-E632 PolarHBondContact OG1-N 3.41Å
633	K	90.9	Very high	87.8	Confident	143 Å²	143	72.4 Å²	72.4	62%	0.622	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-65.4	132.8	176.3	-68.4	-169.3	176.4	-167.7	0	111.8	T607	T607-K633 PolarHBondContact N-O 3.33Å; T607-K633 PolarHBondContact OG1-O 3.36Å
634	I	91.6	Very high	87.3	Confident	17 Å²	17	69.1 Å²	69.1	9%	0.087	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.1	177.7	-66.1	175.4	0	0	0	109.8	F604 R605 L613 I618 V626 H627 V636	F604-I634 HydrophobicContact CB-CG2 3.78Å; F604-I634 HydrophobicContact CD1-CG2 3.94Å; F604-I634 HydrophobicContact CG-CG2 4.37Å; R605-I634 CarbonylContact O-C 3.58Å; R605-I634 WeakPolarHBondContact O-CA 3.34Å; R605-I634 WeakPolarHBondContact O-CG2 3.34Å; L613-I634 HydrophobicContact CD1-CD1 3.45Å; L613-I634 VanDerWaalsContact CD1-CD1 3.45Å; L613-I634 HydrophobicContact CD1-CG1 3.71Å; L613-I634 HydrophobicContact CD1-CG2 4.46Å; I618-I634 HydrophobicContact CB-CD1 4.3Å; I618-I634 HydrophobicContact CD1-CD1 4.4Å; I618-I634 HydrophobicContact CG1-CD1 3.84Å; I618-I634 HydrophobicContact CG2-CD1 3.88Å; V626-I634 WeakPolarHBondContact O-CD1 3.42Å; H627-I634 HydrophobicContact CB-CD1 4.25Å; H627-I634 HydrophobicContact CB-CG1 4.42Å; H627-I634 VanDerWaalsContact N-CD1 3.34Å; I634-V636 HydrophobicContact CG2-CG2 4.47Å
635	Q	89.3	Confident	87.1	Confident	91 Å²	91	65.1 Å²	65.1	43%	0.425	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.1	164.9	-171	-171.9	51.8	0	0	109.5	F604 R605 T637	F604-Q635 WeakPolarHBondContact CA-O 3.46Å; R605-Q635 PolarHBondContact N-O 2.98Å; R605-Q635 VanDerWaalsContact NE-OE1 3.14Å; R605-Q635 PolarHBondContact O-N 3.44Å; Q635-T637 HydrophobicContact CG-CG2 4.18Å
636	V	90.3	Very high	86.9	Confident	59 Å²	59	68.2 Å²	68.2	36%	0.358	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.6	175.7	-168.5	0	0	0	0	109.8	Q602 T603 F604 P625 I634	Q602-V636 HydrophobicContact CB-CG1 4.39Å; Q602-V636 HydrophobicContact CG-CG1 4.49Å; T603-V636 WeakPolarHBondContact O-CA 3.5Å; F604-V636 HydrophobicContact CD1-CB 4.47Å; F604-V636 HydrophobicContact CD1-CG1 4.15Å; F604-V636 HydrophobicContact CD1-CG2 3.88Å; F604-V636 HydrophobicContact CE1-CB 4.46Å; F604-V636 HydrophobicContact CE1-CG1 3.79Å; F604-V636 HydrophobicContact CE1-CG2 3.91Å; F604-V636 HydrophobicContact CZ-CG1 4.46Å; P625-V636 HydrophobicContact CG-CG2 3.39Å; I634-V636 HydrophobicContact CG2-CG2 4.47Å
637	T	89.3	Confident	86.6	Confident	30 Å²	30	66.3 Å²	66.3	18%	0.184	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	161	177.1	54	0	0	0	0	111.3	Q602 T603 Q635 E639	Q602-T637 CarbonylContact C-O 3.43Å; Q602-T637 WeakPolarHBondContact CA-O 3.38Å; T603-T637 PolarHBondContact N-O 2.94Å; T603-T637 PolarHBondContact O-N 2.92Å; Q635-T637 HydrophobicContact CG-CG2 4.18Å; T637-E639 VanDerWaalsContact OG1-CD 3.3Å; T637-E639 WeakPolarHBondContact OG1-CG 3.17Å; T637-E639 PolarHBondContact OG1-OE1 2.76Å
638	W	89.3	Confident	86.2	Confident	90 Å²	90	67.2 Å²	67.2	34%	0.341	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.6	171.4	-74.7	93.8	0	0	0	109.3	K600 Q602 L678 W679 D680	K600-W638 HydrophobicContact CB-CE3 4.49Å; Q602-W638 HydrophobicContact CG-CD2 4.17Å; Q602-W638 HydrophobicContact CG-CE3 4.3Å; Q602-W638 HydrophobicContact CG-CH2 3.59Å; Q602-W638 HydrophobicContact CG-CZ2 3.45Å; Q602-W638 VanDerWaalsContact CG-CZ2 3.45Å; Q602-W638 HydrophobicContact CG-CZ3 4.03Å; W638-L678 HydrophobicContact CB-CD2 4.27Å; W638-L678 HydrophobicContact CD2-CD2 4.33Å; W638-L678 HydrophobicContact CE3-CB 4.11Å; W638-L678 HydrophobicContact CE3-CD2 4.14Å; W638-L678 HydrophobicContact CG-CD2 4.41Å; W638-L678 HydrophobicContact CZ3-CB 4.09Å; W638-W679 WeakPolarHBondContact CH2-O 3.45Å; W638-W679 WeakPolarHBondContact CZ3-O 3.39Å; W638-D680 HydrophobicContact CH2-CB 3.83Å; W638-D680 HydrophobicContact CZ2-CB 4.38Å
639	E	85.8	Confident	86	Confident	28 Å²	28	63.9 Å²	63.9	13%	0.131	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	160.2	-173.5	-54.1	-171.4	178.7	0	0	111.6	K600 N601 T603 R605 T637 M641 K645 N647	K600-E639 CarbonylContact C-O 3.48Å; K600-E639 WeakPolarHBondContact CA-O 3.27Å; K600-E639 WeakPolarHBondContact CB-O 3.42Å; N601-E639 PolarHBondContact N-O 3.28Å; N601-E639 PolarHBondContact O-N 3.46Å; N601-E639 VanDerWaalsContact O-N 3.14Å; T603-E639 HydrophobicContact CG2-CG 4.49Å; T603-E639 WeakPolarHBondContact OG1-CB 3.34Å; R605-E639 IonicContact CZ-OE1 2.83Å; R605-E639 VanDerWaalsContact CZ-OE1 3.24Å; R605-E639 IonicContact NH1-OE1 3.87Å; R605-E639 PolarHBondContact NH1-OE1 2.86Å; R605-E639 IonicContact NH1-OE2 2.73Å; R605-E639 IonicContact NH2-OE1 3.64Å; R605-E639 PolarHBondContact NH2-OE1 2.77Å; R605-E639 VanDerWaalsContact NH2-OE1 3.13Å; T637-E639 VanDerWaalsContact OG1-CD 3.3Å; T637-E639 WeakPolarHBondContact OG1-CG 3.17Å; T637-E639 PolarHBondContact OG1-OE1 2.76Å; E639-M641 PolarHBondContact O-N 2.87Å; E639-K645 HydrophobicContact CB-CD 4.22Å; E639-K645 WeakPolarHBondContact OE2-CD 3.48Å; E639-K645 WeakPolarHBondContact OE2-CE 3.38Å; E639-K645 IonicContact OE2-NZ 2.68Å; E639-K645 PolarHBondContact OE2-NZ 3.18Å; E639-N647 PolarHBondContact O-ND2 3.35Å
640	K	85.1	Confident	85.8	Confident	86 Å²	86	56.8 Å²	56.8	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	134	172.1	-176.4	177.3	174.6	175.2	0	109.5	E562 L598 S642 N647	E562-K640 IonicContact OE1-NZ 3.58Å; E562-K640 PolarHBondContact OE1-NZ 3.16Å; L598-K640 HydrophobicContact CD1-CB 4.12Å; L598-K640 HydrophobicContact CD1-CD 4.15Å; L598-K640 HydrophobicContact CD1-CG 4.22Å; L598-K640 HydrophobicContact CD2-CD 4Å; L598-K640 HydrophobicContact CD2-CG 4.28Å; K640-S642 PolarHBondContact O-N 2.83Å; K640-N647 PolarHBondContact O-ND2 2.74Å; K640-N647 VanDerWaalsContact O-ND2 3.07Å
641	M	85.6	Confident	85.8	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.28	C	S	.	.			trans	-60.2	126.3	173.1	-72.3	-178	-179.3	0	0	110.7	M99 I599 N601 E639 N647 I649 W679	M99-M641 HydrophobicContact CB-CE 4.42Å; M99-M641 HydrophobicContact CB-SD 3.95Å; I599-M641 HydrophobicContact CB-SD 4.48Å; I599-M641 HydrophobicContact CG2-CE 3.54Å; I599-M641 HydrophobicContact CG2-SD 3.97Å; I599-M641 PolarHBondContact O-N 3.16Å; N601-M641 HydrophobicContact CB-CE 3.71Å; N601-M641 HydrophobicContact CB-CG 4.03Å; E639-M641 PolarHBondContact O-N 2.87Å; M641-N647 VanDerWaalsContact CA-OD1 3.28Å; M641-N647 WeakPolarHBondContact CA-OD1 3Å; M641-I649 HydrophobicContact CE-CB 4.2Å; M641-I649 HydrophobicContact CE-CD1 3.53Å; M641-I649 HydrophobicContact CE-CG1 3.74Å; M641-I649 HydrophobicContact SD-CB 4.46Å; M641-I649 HydrophobicContact SD-CG1 4.46Å; M641-W679 HydrophobicContact CE-CB 3.92Å; M641-W679 HydrophobicContact CE-CG 4.2Å
642	S	78.5	Confident	85.9	Confident	27 Å²	27	52.4 Å²	52.4	19%	0.189	27%	0.267	C	S	.	.			trans	-151	157.8	172.1	78.3	0	0	0	0	111.2	K640 S644 K645 H646 N647	K640-S642 PolarHBondContact O-N 2.83Å; S642-S644 PolarHBondContact OG-OG 3.49Å; S642-K645 PolarHBondContact O-N 3.09Å; S642-K645 WeakPolarHBondContact OG-CB 3.14Å; S642-K645 WeakPolarHBondContact OG-CD 3.48Å; S642-K645 WeakPolarHBondContact OG-CG 3.18Å; S642-K645 PolarHBondContact OG-N 2.84Å; S642-H646 PolarHBondContact O-N 2.96Å; S642-N647 PolarHBondContact N-OD1 2.63Å; S642-N647 PolarHBondContact O-OD1 3.46Å; S642-N647 VanDerWaalsContact O-OD1 3.11Å
643	K	74.5	Confident	85.8	Confident	97 Å²	97	56 Å²	56	42%	0.422	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-63.6	-42	176.9	-66.1	174.9	-174.1	144.2	0	111.9	S94 G95 K645 H646	S94-K643 PolarHBondContact O-NZ 3.29Å; G95-K643 VanDerWaalsContact C-NZ 3.32Å; G95-K643 VanDerWaalsContact N-NZ 3.13Å; K643-K645 PolarHBondContact O-N 3.06Å; K643-H646 PolarHBondContact O-N 3.22Å; K643-H646 PolarHBondContact O-ND1 3.39Å
644	S	73	Confident	85.7	Confident	85 Å²	85	49.8 Å²	49.8	59%	0.594	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-63.3	-21.7	-180	53.7	0	0	0	0	114.2	S642	S642-S644 PolarHBondContact OG-OG 3.49Å
645	K	82.4	Confident	85.7	Confident	45 Å²	45	51.7 Å²	51.7	20%	0.196	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-98.6	-2.9	-179.6	-67.4	178.6	-176.8	-163.1	0	113.6	T603 Y612 E639 S642 K643 N647	T603-K645 HydrophobicContact CG2-CB 3.97Å; T603-K645 HydrophobicContact CG2-CD 4.41Å; T603-K645 HydrophobicContact CG2-CG 4.36Å; Y612-K645 HydrophobicContact CD1-CB 4.18Å; Y612-K645 HydrophobicContact CD1-CG 4.05Å; Y612-K645 HydrophobicContact CE1-CB 4.31Å; Y612-K645 HydrophobicContact CE1-CD 4.32Å; Y612-K645 HydrophobicContact CE1-CG 3.75Å; Y612-K645 HydrophobicContact CE2-CG 4.25Å; Y612-K645 HydrophobicContact CG-CG 4.44Å; E639-K645 HydrophobicContact CB-CD 4.22Å; E639-K645 WeakPolarHBondContact OE2-CD 3.48Å; E639-K645 WeakPolarHBondContact OE2-CE 3.38Å; E639-K645 IonicContact OE2-NZ 2.68Å; E639-K645 PolarHBondContact OE2-NZ 3.18Å; S642-K645 PolarHBondContact O-N 3.09Å; S642-K645 WeakPolarHBondContact OG-CB 3.14Å; S642-K645 WeakPolarHBondContact OG-CD 3.48Å; S642-K645 WeakPolarHBondContact OG-CG 3.18Å; S642-K645 PolarHBondContact OG-N 2.84Å; K643-K645 PolarHBondContact O-N 3.06Å; K645-N647 HydrophobicContact CB-CB 4.43Å; K645-N647 PolarHBondContact O-N 3.08Å; K645-N647 VanDerWaalsContact O-N 3.08Å
646	H	83.8	Confident	85.8	Confident	93 Å²	93	53.8 Å²	53.8	43%	0.431	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	28.7	-177.7	-54.9	-51.4	0	0	0	114.5	K614 S642 K643	K614-H646 HydrophobicContact CG-CB 4.05Å; S642-H646 PolarHBondContact O-N 2.96Å; K643-H646 PolarHBondContact O-N 3.22Å; K643-H646 PolarHBondContact O-ND1 3.39Å
647	N	85.9	Confident	85.8	Confident	4 Å²	4	56 Å²	56	2%	0.021	28%	0.279	C	S	.	.			trans	-116.7	4.1	-174.3	71.5	-13	0	0	0	113	N601 Q602 T603 E639 K640 M641 S642 K645	N601-N647 HydrophobicContact CB-CB 4.2Å; N601-N647 VanDerWaalsContact CB-O 3.25Å; N601-N647 WeakPolarHBondContact CB-O 3.49Å; N601-N647 PolarHBondContact ND2-O 2.92Å; Q602-N647 WeakPolarHBondContact O-CB 3.31Å; T603-N647 PolarHBondContact OG1-ND2 3.45Å; E639-N647 PolarHBondContact O-ND2 3.35Å; K640-N647 PolarHBondContact O-ND2 2.74Å; K640-N647 VanDerWaalsContact O-ND2 3.07Å; M641-N647 VanDerWaalsContact CA-OD1 3.28Å; M641-N647 WeakPolarHBondContact CA-OD1 3Å; S642-N647 PolarHBondContact N-OD1 2.63Å; S642-N647 PolarHBondContact O-OD1 3.46Å; S642-N647 VanDerWaalsContact O-OD1 3.11Å; K645-N647 HydrophobicContact CB-CB 4.43Å; K645-N647 PolarHBondContact O-N 3.08Å; K645-N647 VanDerWaalsContact O-N 3.08Å
648	G	85	Confident	85.9	Confident	42 Å²	42	56.7 Å²	56.7	43%	0.433	28%	0.279	S	S	.	.			trans	-74.6	142.1	178.8	0	0	0	0	0	112.7
649	I	85.9	Confident	86.1	Confident	26 Å²	26	52.4 Å²	52.4	13%	0.133	26%	0.263	C	S	.	.			trans	-106.1	130.5	175.5	-60.5	176.6	0	0	0	109.1	H98 M99 M641 P651 L654 W679	H98-I649 WeakPolarHBondContact CA-O 3.35Å; M99-I649 HydrophobicContact CG-CB 4.05Å; M99-I649 HydrophobicContact CG-CG2 4.16Å; M99-I649 PolarHBondContact N-O 3.04Å; M641-I649 HydrophobicContact CE-CB 4.2Å; M641-I649 HydrophobicContact CE-CD1 3.53Å; M641-I649 HydrophobicContact CE-CG1 3.74Å; M641-I649 HydrophobicContact SD-CB 4.46Å; M641-I649 HydrophobicContact SD-CG1 4.46Å; I649-P651 WeakPolarHBondContact O-CD 3.4Å; I649-L654 HydrophobicContact CG2-CD1 3.77Å; I649-L654 HydrophobicContact CG2-CD2 4.45Å; I649-L654 HydrophobicContact CG2-CG 4.03Å; I649-W679 HydrophobicContact CD1-CB 4.34Å; I649-W679 HydrophobicContact CD1-CD2 3.56Å; I649-W679 HydrophobicContact CD1-CE3 4.45Å; I649-W679 HydrophobicContact CD1-CG 3.43Å; I649-W679 VanDerWaalsContact CD1-CG 3.43Å; I649-W679 HydrophobicContact CD1-CZ2 4.18Å
650	D	88	Confident	86.5	Confident	37 Å²	37	51.4 Å²	51.4	20%	0.198	26%	0.258	C	S	.	.			trans	-75.1	117.2	177.6	-167.7	-27.9	0	0	0	110.3	E652 E653	D650-E652 PolarHBondContact O-N 3.16Å; D650-E652 WeakPolarHBondContact OD1-CB 3.22Å; D650-E652 PolarHBondContact OD1-N 3.03Å; D650-E653 HydrophobicContact CB-CB 4.49Å; D650-E653 HydrophobicContact CB-CG 4.03Å; D650-E653 PolarHBondContact O-N 2.83Å
651	P	89.5	Confident	87.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-24.4	179.1	-21.7	34.7	0	0	0	113.9	M99 L102 L164 I649 L654 K655	M99-P651 HydrophobicContact SD-CB 4.04Å; M99-P651 HydrophobicContact SD-CG 4.06Å; L102-P651 HydrophobicContact CD2-CB 3.94Å; L164-P651 HydrophobicContact CD1-CB 3.85Å; L164-P651 HydrophobicContact CD1-CG 4.45Å; L164-P651 HydrophobicContact CD2-CB 3.81Å; L164-P651 HydrophobicContact CG-CB 4.5Å; I649-P651 WeakPolarHBondContact O-CD 3.4Å; P651-L654 PolarHBondContact O-N 3.31Å; P651-K655 PolarHBondContact O-N 3.36Å
652	E	89.7	Confident	87.6	Confident	49 Å²	49	47.2 Å²	47.2	23%	0.229	24%	0.24	C	C	.	.	H	α-helix	trans	-71.8	-32.8	178.8	-68	-176.7	-159.9	0	0	112.9	Q160 D650 K655 K656	Q160-E652 VanDerWaalsContact CG-OE1 3.29Å; Q160-E652 WeakPolarHBondContact CG-OE1 3.39Å; Q160-E652 PolarHBondContact NE2-OE1 3.34Å; D650-E652 PolarHBondContact O-N 3.16Å; D650-E652 WeakPolarHBondContact OD1-CB 3.22Å; D650-E652 PolarHBondContact OD1-N 3.03Å; E652-K655 WeakPolarHBondContact O-CB 3.3Å; E652-K655 PolarHBondContact O-N 3.29Å; E652-K656 WeakPolarHBondContact O-CG 3.14Å; E652-K656 PolarHBondContact O-N 2.88Å
653	E	89	Confident	88.3	Confident	125 Å²	125	46 Å²	46	58%	0.584	23%	0.231	S	C	*	.	H	α-helix	trans	-64.1	-47.3	173.8	-67.3	-175.8	162.4	0	0	109.8	D650 K655 K656 E657	D650-E653 HydrophobicContact CB-CB 4.49Å; D650-E653 HydrophobicContact CB-CG 4.03Å; D650-E653 PolarHBondContact O-N 2.83Å; E653-K655 VanDerWaalsContact C-N 3.3Å; E653-K655 PolarHBondContact O-N 2.97Å; E653-K656 WeakPolarHBondContact O-CB 3.35Å; E653-K656 PolarHBondContact O-N 3.48Å; E653-K656 VanDerWaalsContact O-N 3.12Å; E653-E657 PolarHBondContact O-N 3.07Å; E653-E657 VanDerWaalsContact O-N 3.14Å
654	L	89.3	Confident	89.3	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-39	175	-63.9	177.3	0	0	0	111.6	M99 I649 P651 K656 E657 Y658 I663 W679	M99-L654 HydrophobicContact CE-CD1 3.91Å; M99-L654 HydrophobicContact CG-CD1 3.85Å; M99-L654 HydrophobicContact SD-CD1 3.49Å; M99-L654 WeakPolarHBondContact SD-CD1 3.28Å; I649-L654 HydrophobicContact CG2-CD1 3.77Å; I649-L654 HydrophobicContact CG2-CD2 4.45Å; I649-L654 HydrophobicContact CG2-CG 4.03Å; P651-L654 PolarHBondContact O-N 3.31Å; L654-K656 VanDerWaalsContact C-N 3.31Å; L654-K656 PolarHBondContact O-N 3.29Å; L654-E657 PolarHBondContact O-N 3.26Å; L654-Y658 HydrophobicContact CB-CD2 4.41Å; L654-Y658 HydrophobicContact CD2-CD2 4.04Å; L654-Y658 HydrophobicContact CD2-CE2 3.94Å; L654-Y658 WeakPolarHBondContact O-CB 3.47Å; L654-Y658 PolarHBondContact O-N 2.79Å; L654-I663 HydrophobicContact CB-CD1 3.69Å; L654-I663 HydrophobicContact CB-CG1 4.14Å; L654-W679 HydrophobicContact CD1-CH2 3.41Å; L654-W679 VanDerWaalsContact CD1-CH2 3.41Å; L654-W679 HydrophobicContact CD1-CZ2 3.87Å; L654-W679 HydrophobicContact CD1-CZ3 4.17Å; L654-W679 HydrophobicContact CD2-CH2 4.04Å; L654-W679 HydrophobicContact CD2-CZ2 3.85Å; L654-W679 HydrophobicContact CG-CH2 4.39Å
655	K	91.3	Very high	90.4	Very high	58 Å²	58	37.5 Å²	37.5	25%	0.252	18%	0.183	S	C	.	.	H	α-helix	trans	-58.3	-44.7	175.3	174.8	-170.4	167.4	-178.9	0	110.9	A163 L164 P651 E652 E653 E657 G659 I660 I663	A163-K655 WeakPolarHBondContact O-CD 3.35Å; A163-K655 VanDerWaalsContact O-CE 3.28Å; A163-K655 WeakPolarHBondContact O-CE 3.44Å; A163-K655 PolarHBondContact O-NZ 2.98Å; L164-K655 HydrophobicContact CD2-CB 4.45Å; P651-K655 PolarHBondContact O-N 3.36Å; E652-K655 WeakPolarHBondContact O-CB 3.3Å; E652-K655 PolarHBondContact O-N 3.29Å; E653-K655 VanDerWaalsContact C-N 3.3Å; E653-K655 PolarHBondContact O-N 2.97Å; K655-E657 VanDerWaalsContact C-N 3.27Å; K655-E657 PolarHBondContact O-N 3.22Å; K655-G659 VanDerWaalsContact O-CA 3.28Å; K655-G659 WeakPolarHBondContact O-CA 3.44Å; K655-G659 PolarHBondContact O-N 3.22Å; K655-I660 HydrophobicContact CD-CG1 4.16Å; K655-I660 HydrophobicContact CG-CG1 4.02Å; K655-I663 VanDerWaalsContact CA-CD1 3.48Å; K655-I663 HydrophobicContact CB-CD1 4.13Å; K655-I663 VanDerWaalsContact N-CD1 3.27Å
656	K	90.8	Very high	90.9	Very high	134 Å²	134	35.7 Å²	35.7	58%	0.583	18%	0.175	S	C	*	.	H	α-helix	trans	-63.8	-35.3	-179.9	-71.2	167.1	-173.4	166.7	0	112	K57 E652 E653 L654	K57-K656 WeakPolarHBondContact CE-O 3.22Å; K57-K656 PolarHBondContact NZ-O 2.99Å; E652-K656 WeakPolarHBondContact O-CG 3.14Å; E652-K656 PolarHBondContact O-N 2.88Å; E653-K656 WeakPolarHBondContact O-CB 3.35Å; E653-K656 PolarHBondContact O-N 3.48Å; E653-K656 VanDerWaalsContact O-N 3.12Å; L654-K656 VanDerWaalsContact C-N 3.31Å; L654-K656 PolarHBondContact O-N 3.29Å
657	E	90.4	Very high	91.4	Very high	106 Å²	106	31.4 Å²	31.4	50%	0.495	16%	0.156	S	C	.	.	H	α-helix	trans	-83.6	-43.5	-177.3	-170.5	177.7	171.4	0	0	112.9	L53 E653 L654 K655	L53-E657 WeakPolarHBondContact CD1-O 3.41Å; E653-E657 PolarHBondContact O-N 3.07Å; E653-E657 VanDerWaalsContact O-N 3.14Å; L654-E657 PolarHBondContact O-N 3.26Å; K655-E657 VanDerWaalsContact C-N 3.27Å; K655-E657 PolarHBondContact O-N 3.22Å
658	Y	91.8	Very high	91.8	Very high	45 Å²	45	31.4 Å²	31.4	18%	0.176	16%	0.156	C	C	.	.	H	α-helix	trans	-113.4	-22.3	-168.3	-63.4	-75.4	0	0	0	114.3	R56 L654 T662 M686	R56-Y658 WeakPolarHBondContact CD-O 3.3Å; R56-Y658 VanDerWaalsContact CZ-O 3.29Å; R56-Y658 PolarHBondContact NE-O 3.44Å; R56-Y658 PolarHBondContact NH1-O 2.93Å; L654-Y658 HydrophobicContact CB-CD2 4.41Å; L654-Y658 HydrophobicContact CD2-CD2 4.04Å; L654-Y658 HydrophobicContact CD2-CE2 3.94Å; L654-Y658 WeakPolarHBondContact O-CB 3.47Å; L654-Y658 PolarHBondContact O-N 2.79Å; Y658-T662 VanDerWaalsContact O-CB 3.24Å; Y658-T662 WeakPolarHBondContact O-CB 3.42Å; Y658-T662 PolarHBondContact O-OG1 2.65Å; Y658-M686 HydrophobicContact CD1-CG 3.51Å; Y658-M686 HydrophobicContact CD1-SD 4.2Å; Y658-M686 HydrophobicContact CE1-CG 3.59Å; Y658-M686 HydrophobicContact CG-CG 4.06Å; Y658-M686 HydrophobicContact CG-SD 4.19Å
659	G	93.4	Very high	92.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.			trans	81.8	157.8	-170.3	0	0	0	0	0	113.3	E60 K655 T662 I663	E60-G659 VanDerWaalsContact OE1-C 3.32Å; E60-G659 WeakPolarHBondContact OE1-CA 3.11Å; E60-G659 WeakPolarHBondContact OE2-CA 3.48Å; K655-G659 VanDerWaalsContact O-CA 3.28Å; K655-G659 WeakPolarHBondContact O-CA 3.44Å; K655-G659 PolarHBondContact O-N 3.22Å; G659-T662 PolarHBondContact O-N 3.13Å; G659-I663 WeakPolarHBondContact O-CD1 2.75Å; G659-I663 WeakPolarHBondContact O-CG1 3.23Å; G659-I663 PolarHBondContact O-N 3.47Å
660	I	94.6	Very high	92.6	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-53.8	-175.1	-62.1	171.6	0	0	0	111.7	E60 F64 L164 K655 T662 I663 R664	E60-I660 HydrophobicContact CG-CB 4.46Å; E60-I660 PolarHBondContact OE1-N 3.46Å; E60-I660 PolarHBondContact OE2-N 3.35Å; F64-I660 HydrophobicContact CD2-CD1 4.24Å; L164-I660 VanDerWaalsContact O-CG2 3.24Å; L164-I660 WeakPolarHBondContact O-CG2 3.36Å; K655-I660 HydrophobicContact CD-CG1 4.16Å; K655-I660 HydrophobicContact CG-CG1 4.02Å; I660-T662 VanDerWaalsContact C-N 3.26Å; I660-T662 PolarHBondContact O-N 3.31Å; I660-I663 PolarHBondContact O-N 3.26Å; I660-R664 HydrophobicContact CG2-CG 4.32Å; I660-R664 WeakPolarHBondContact O-CG 3.34Å; I660-R664 PolarHBondContact O-N 2.79Å
661	D	96.6	Very high	92.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-29.5	-172.7	-83.7	-2.1	0	0	0	112.3	E60 L665 A793 P794 H795 V796	E60-D661 PolarHBondContact OE1-N 3.42Å; E60-D661 VanDerWaalsContact OE1-N 3.11Å; D661-L665 WeakPolarHBondContact O-CB 3.32Å; D661-L665 VanDerWaalsContact O-CG 3.23Å; D661-L665 WeakPolarHBondContact O-CG 3.42Å; D661-L665 PolarHBondContact O-N 3.27Å; D661-A793 HydrophobicContact CB-CB 3.93Å; D661-A793 VanDerWaalsContact OD2-C 3.24Å; D661-P794 WeakPolarHBondContact OD1-CD 3.47Å; D661-H795 IonicContact OD1-CE1 3.02Å; D661-H795 IonicContact OD1-CG 2.69Å; D661-H795 IonicContact OD1-ND1 3.16Å; D661-H795 PolarHBondContact OD1-ND1 3.11Å; D661-H795 WeakPolarHBondContact OD2-CA 3.34Å; D661-H795 VanDerWaalsContact OD2-CB 3.31Å; D661-H795 WeakPolarHBondContact OD2-CB 3.29Å; D661-H795 IonicContact OD2-CG 2.6Å; D661-H795 PolarHBondContact OD2-N 3.18Å; D661-H795 IonicContact OD2-ND1 2.9Å; D661-V796 WeakPolarHBondContact OD2-CG1 3.36Å; D661-V796 PolarHBondContact OD2-N 3.41Å
662	T	95.4	Very high	92.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-45.2	176	-49	0	0	0	0	110.8	R56 Y658 G659 I660 L665 Y666 M686 V689 Q690 Q693	R56-T662 WeakPolarHBondContact CD-OG1 3.45Å; R56-T662 VanDerWaalsContact CZ-OG1 3.31Å; R56-T662 PolarHBondContact NE-OG1 3.08Å; R56-T662 VanDerWaalsContact NE-OG1 3.08Å; Y658-T662 VanDerWaalsContact O-CB 3.24Å; Y658-T662 WeakPolarHBondContact O-CB 3.42Å; Y658-T662 PolarHBondContact O-OG1 2.65Å; G659-T662 PolarHBondContact O-N 3.13Å; I660-T662 VanDerWaalsContact C-N 3.26Å; I660-T662 PolarHBondContact O-N 3.31Å; T662-L665 PolarHBondContact O-N 3.26Å; T662-Y666 WeakPolarHBondContact O-CB 3.17Å; T662-Y666 PolarHBondContact O-N 2.55Å; T662-M686 HydrophobicContact CG2-CG 4.24Å; T662-M686 HydrophobicContact CG2-SD 3.78Å; T662-V689 HydrophobicContact CG2-CG1 4.04Å; T662-Q690 HydrophobicContact CG2-CG 3.63Å; T662-Q693 PolarHBondContact OG1-NE2 3.12Å; T662-Q693 PolarHBondContact OG1-OE1 3.11Å; T662-Q693 VanDerWaalsContact OG1-OE1 3.12Å
663	I	93.8	Very high	92.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-43.3	-179.7	-62.2	161.8	0	0	0	110.4	M99 L102 L654 K655 G659 I660 Y666 I667	M99-I663 HydrophobicContact CE-CG2 3.8Å; M99-I663 HydrophobicContact SD-CG2 4.4Å; L102-I663 HydrophobicContact CD2-CG2 3.57Å; L654-I663 HydrophobicContact CB-CD1 3.69Å; L654-I663 HydrophobicContact CB-CG1 4.14Å; K655-I663 VanDerWaalsContact CA-CD1 3.48Å; K655-I663 HydrophobicContact CB-CD1 4.13Å; K655-I663 VanDerWaalsContact N-CD1 3.27Å; G659-I663 WeakPolarHBondContact O-CD1 2.75Å; G659-I663 WeakPolarHBondContact O-CG1 3.23Å; G659-I663 PolarHBondContact O-N 3.47Å; I660-I663 PolarHBondContact O-N 3.26Å; I663-Y666 WeakPolarHBondContact O-CB 3.34Å; I663-Y666 PolarHBondContact O-N 3.26Å; I663-I667 HydrophobicContact CG2-CD1 3.89Å; I663-I667 HydrophobicContact CG2-CG1 4.42Å; I663-I667 WeakPolarHBondContact O-CB 3.3Å; I663-I667 VanDerWaalsContact O-CG1 3.31Å; I663-I667 WeakPolarHBondContact O-CG1 3.25Å; I663-I667 PolarHBondContact O-N 3.47Å
664	R	95.6	Very high	92.7	Very high	2 Å²	2	30 Å²	30	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-49.1	177.4	-68.8	172.7	59.2	91.4	5.4	111.5	T106 D109 I660 Y666 I667 L668 P791 M792	T106-R664 HydrophobicContact CG2-CB 3.9Å; T106-R664 HydrophobicContact CG2-CG 3.99Å; D109-R664 IonicContact OD2-CZ 2.69Å; D109-R664 IonicContact OD2-NH1 2.72Å; D109-R664 PolarHBondContact OD2-NH1 3.48Å; D109-R664 IonicContact OD2-NH2 3.46Å; D109-R664 PolarHBondContact OD2-NH2 2.64Å; I660-R664 HydrophobicContact CG2-CG 4.32Å; I660-R664 WeakPolarHBondContact O-CG 3.34Å; I660-R664 PolarHBondContact O-N 2.79Å; R664-Y666 VanDerWaalsContact C-N 3.33Å; R664-Y666 PolarHBondContact O-N 3.02Å; R664-I667 PolarHBondContact O-N 3.43Å; R664-L668 VanDerWaalsContact O-CG 3.29Å; R664-L668 WeakPolarHBondContact O-CG 3.17Å; R664-L668 PolarHBondContact O-N 3.15Å; R664-L668 VanDerWaalsContact O-N 3.07Å; R664-P791 PolarHBondContact NH2-O 3.05Å; R664-P791 VanDerWaalsContact NH2-O 3.07Å; R664-M792 WeakPolarHBondContact CB-O 3.49Å; R664-M792 PolarHBondContact NE-O 2.93Å
665	L	96.2	Very high	92.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-40.4	177.2	-73.9	176.9	0	0	0	112.2	D661 T662 L668 F669 V689 W692 Q693 I754 M792 A793	D661-L665 WeakPolarHBondContact O-CB 3.32Å; D661-L665 VanDerWaalsContact O-CG 3.23Å; D661-L665 WeakPolarHBondContact O-CG 3.42Å; D661-L665 PolarHBondContact O-N 3.27Å; T662-L665 PolarHBondContact O-N 3.26Å; L665-L668 PolarHBondContact O-N 3.47Å; L665-F669 WeakPolarHBondContact O-CB 3.5Å; L665-F669 PolarHBondContact O-N 3.18Å; L665-V689 HydrophobicContact CB-CG1 3.44Å; L665-V689 VanDerWaalsContact CB-CG1 3.44Å; L665-V689 HydrophobicContact CB-CG2 4.48Å; L665-V689 HydrophobicContact CD1-CG1 3.96Å; L665-V689 HydrophobicContact CG-CG1 4.37Å; L665-W692 HydrophobicContact CD1-CE3 4.2Å; L665-W692 HydrophobicContact CD1-CZ3 4.04Å; L665-W692 HydrophobicContact CD2-CZ3 3.87Å; L665-Q693 HydrophobicContact CD1-CG 3.9Å; L665-I754 HydrophobicContact CD2-CD1 4.12Å; L665-M792 HydrophobicContact CD2-CB 3.81Å; L665-A793 HydrophobicContact CD1-CB 3.86Å; L665-A793 HydrophobicContact CD2-CB 4.04Å; L665-A793 HydrophobicContact CG-CB 3.89Å
666	Y	93.9	Very high	92.7	Very high	6 Å²	6	35.3 Å²	35.3	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-52	174	167.6	-94.9	0	0	0	111.4	T662 I663 R664 L668 F669 A670 I677 W679 D684 A685 M686	T662-Y666 WeakPolarHBondContact O-CB 3.17Å; T662-Y666 PolarHBondContact O-N 2.55Å; I663-Y666 WeakPolarHBondContact O-CB 3.34Å; I663-Y666 PolarHBondContact O-N 3.26Å; R664-Y666 VanDerWaalsContact C-N 3.33Å; R664-Y666 PolarHBondContact O-N 3.02Å; Y666-L668 VanDerWaalsContact C-N 3.26Å; Y666-L668 PolarHBondContact O-N 3.26Å; Y666-F669 PolarHBondContact O-N 3.02Å; Y666-F669 VanDerWaalsContact O-N 3.11Å; Y666-A670 HydrophobicContact CD2-CB 4.13Å; Y666-A670 HydrophobicContact CE1-CB 4.33Å; Y666-A670 HydrophobicContact CE2-CB 3.7Å; Y666-A670 VanDerWaalsContact O-CB 3.23Å; Y666-A670 WeakPolarHBondContact O-CB 3.23Å; Y666-A670 PolarHBondContact O-N 2.88Å; Y666-I677 WeakPolarHBondContact OH-CG2 3.31Å; Y666-W679 HydrophobicContact CD1-CZ3 4.02Å; Y666-W679 AromaticContact CE1-CE3 3.83Å; Y666-W679 HydrophobicContact CE1-CE3 3.83Å; Y666-W679 HydrophobicContact CE1-CH2 4.23Å; Y666-W679 AromaticContact CE1-CZ3 3.32Å; Y666-W679 HydrophobicContact CE1-CZ3 3.32Å; Y666-W679 AromaticContact CZ-CZ3 3.83Å; Y666-D684 WeakPolarHBondContact CD2-OD1 3.47Å; Y666-D684 WeakPolarHBondContact CE2-OD1 3.3Å; Y666-A685 HydrophobicContact CD2-CB 3.99Å; Y666-A685 HydrophobicContact CE2-CB 3.98Å; Y666-M686 HydrophobicContact CD1-CE 4Å; Y666-M686 HydrophobicContact CD2-CE 4.02Å; Y666-M686 HydrophobicContact CD2-SD 4.32Å; Y666-M686 HydrophobicContact CG-CE 3.7Å; Y666-M686 HydrophobicContact CG-SD 4.02Å
667	I	93.2	Very high	92.6	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-55.6	-43	-179.5	-76.5	172.5	0	0	0	111.7	M99 L102 R103 T106 I663 R664	M99-I667 HydrophobicContact CE-CD1 3.78Å; M99-I667 HydrophobicContact CE-CG1 3.94Å; L102-I667 HydrophobicContact CB-CD1 4.05Å; L102-I667 HydrophobicContact CD2-CD1 3.72Å; L102-I667 HydrophobicContact CG-CD1 3.48Å; L102-I667 VanDerWaalsContact CG-CD1 3.48Å; R103-I667 HydrophobicContact CB-CG2 4.13Å; R103-I667 HydrophobicContact CG-CG2 3.97Å; T106-I667 HydrophobicContact CG2-CG2 4.24Å; I663-I667 HydrophobicContact CG2-CD1 3.89Å; I663-I667 HydrophobicContact CG2-CG1 4.42Å; I663-I667 WeakPolarHBondContact O-CB 3.3Å; I663-I667 VanDerWaalsContact O-CG1 3.31Å; I663-I667 WeakPolarHBondContact O-CG1 3.25Å; I663-I667 PolarHBondContact O-N 3.47Å; R664-I667 PolarHBondContact O-N 3.43Å
668	L	95.4	Very high	92.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-79.2	-21.5	-177.4	-65.1	173.2	0	0	0	113	T106 I107 A110 R664 L665 Y666 F750 N751 I754 M792	T106-L668 HydrophobicContact CG2-CD1 4Å; T106-L668 HydrophobicContact CG2-CD2 4.17Å; T106-L668 HydrophobicContact CG2-CG 3.91Å; I107-L668 HydrophobicContact CG1-CD2 3.85Å; A110-L668 HydrophobicContact CB-CD1 4.11Å; R664-L668 VanDerWaalsContact O-CG 3.29Å; R664-L668 WeakPolarHBondContact O-CG 3.17Å; R664-L668 PolarHBondContact O-N 3.15Å; R664-L668 VanDerWaalsContact O-N 3.07Å; L665-L668 PolarHBondContact O-N 3.47Å; Y666-L668 VanDerWaalsContact C-N 3.26Å; Y666-L668 PolarHBondContact O-N 3.26Å; L668-F750 HydrophobicContact CB-CB 4.02Å; L668-F750 HydrophobicContact CD2-CB 4.06Å; L668-F750 HydrophobicContact CD2-CD2 3.9Å; L668-F750 HydrophobicContact CD2-CG 3.94Å; L668-F750 CarbonylContact O-C 3.54Å; L668-N751 VanDerWaalsContact O-CA 3.3Å; L668-N751 WeakPolarHBondContact O-CA 3.48Å; L668-N751 PolarHBondContact O-N 3.47Å; L668-I754 HydrophobicContact CB-CD1 3.7Å; L668-M792 HydrophobicContact CD1-CB 3.83Å; L668-M792 HydrophobicContact CD1-CG 3.75Å
669	F	95.1	Very high	92.1	Very high	52 Å²	52	27.7 Å²	27.7	23%	0.228	14%	0.144	C	C	.	.	H	α-helix	trans	-100.4	-35.9	-175.1	-179.1	-118.2	0	0	0	114.1	L665 Y666 A671 A685 V689 N751 I754 M758	L665-F669 WeakPolarHBondContact O-CB 3.5Å; L665-F669 PolarHBondContact O-N 3.18Å; Y666-F669 PolarHBondContact O-N 3.02Å; Y666-F669 VanDerWaalsContact O-N 3.11Å; F669-A671 PolarHBondContact O-N 3.36Å; F669-A671 VanDerWaalsContact O-N 3.17Å; F669-A685 HydrophobicContact CD1-CB 4.26Å; F669-A685 HydrophobicContact CE1-CB 4.49Å; F669-V689 HydrophobicContact CD1-CG2 4.13Å; F669-N751 WeakPolarHBondContact O-CB 3.22Å; F669-I754 HydrophobicContact CB-CD1 3.85Å; F669-I754 HydrophobicContact CB-CG2 4.22Å; F669-I754 HydrophobicContact CD2-CB 3.91Å; F669-I754 HydrophobicContact CD2-CG2 3.5Å; F669-I754 HydrophobicContact CE2-CG2 4.11Å; F669-I754 HydrophobicContact CG-CG2 4.01Å; F669-M758 HydrophobicContact CD1-CE 4.39Å; F669-M758 HydrophobicContact CD2-CE 4.41Å; F669-M758 HydrophobicContact CE1-CE 4.15Å; F669-M758 HydrophobicContact CE2-CE 4.16Å; F669-M758 HydrophobicContact CE2-SD 4.07Å; F669-M758 HydrophobicContact CZ-CE 4.03Å; F669-M758 HydrophobicContact CZ-SD 3.98Å
670	A	91.3	Very high	91.1	Very high	38 Å²	38	29.7 Å²	29.7	31%	0.314	15%	0.154	S	C	.	.	S	Bend	trans	-58.2	-35.7	-167.2	0	0	0	0	0	113.4	Y666 I677	Y666-A670 HydrophobicContact CD2-CB 4.13Å; Y666-A670 HydrophobicContact CE1-CB 4.33Å; Y666-A670 HydrophobicContact CE2-CB 3.7Å; Y666-A670 VanDerWaalsContact O-CB 3.23Å; Y666-A670 WeakPolarHBondContact O-CB 3.23Å; Y666-A670 PolarHBondContact O-N 2.88Å; A670-I677 HydrophobicContact CB-CD1 4.07Å; A670-I677 HydrophobicContact CB-CG1 4.33Å; A670-I677 HydrophobicContact CB-CG2 4.45Å
671	A	90.3	Very high	89.3	Confident	10 Å²	10	33.6 Å²	33.6	8%	0.083	19%	0.187	C	C	.	.	S	Bend	trans	-153.8	158.5	174.8	0	0	0	0	0	110.5	F669 Q675 I677	F669-A671 PolarHBondContact O-N 3.36Å; F669-A671 VanDerWaalsContact O-N 3.17Å; A671-Q675 HydrophobicContact CB-CB 4.14Å; A671-I677 HydrophobicContact CB-CG1 3.76Å
672	P	90.6	Very high	87	Confident	28 Å²	28	42.9 Å²	42.9	18%	0.182	23%	0.228	C	C	.	.			trans	-49.4	148	163.4	-23.1	31.9	0	0	0	111.3	R103 E674 Q675 L749 N751	R103-P672 PolarHBondContact NH2-O 3.13Å; P672-E674 PolarHBondContact O-N 3.19Å; P672-E674 VanDerWaalsContact O-N 3.1Å; P672-Q675 HydrophobicContact CB-CG 4.24Å; P672-Q675 HydrophobicContact CG-CG 4.21Å; P672-Q675 PolarHBondContact O-N 3.14Å; P672-L749 HydrophobicContact CB-CD2 4.36Å; P672-N751 WeakPolarHBondContact CA-OD1 3.25Å
673	P	89.5	Confident	85.1	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.039	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.2	-175.2	-29.2	36	0	0	0	114.4	R103 I107 L594 Q596 G597 H748 F750	R103-P673 PolarHBondContact NH2-O 2.78Å; I107-P673 HydrophobicContact CD1-CB 4.17Å; L594-P673 HydrophobicContact CD1-CB 4.02Å; L594-P673 HydrophobicContact CD2-CB 4.08Å; L594-P673 HydrophobicContact CD2-CG 4.5Å; L594-P673 HydrophobicContact CG-CB 4.28Å; Q596-P673 CarbonylContact C-O 3.44Å; Q596-P673 WeakPolarHBondContact CA-O 3.31Å; G597-P673 PolarHBondContact N-O 2.89Å; P673-H748 WeakPolarHBondContact CG-O 3.4Å; P673-F750 HydrophobicContact CG-CD2 3.67Å; P673-F750 HydrophobicContact CG-CE2 3.84Å
674	E	89.3	Confident	83.8	Confident	116 Å²	116	49.4 Å²	49.4	54%	0.542	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-17.4	-177.3	-55.6	-178.6	164.3	0	0	113.7	L594 V595 G597 P672	L594-E674 HydrophobicContact CD1-CG 4.3Å; V595-E674 WeakPolarHBondContact O-CA 3.23Å; G597-E674 WeakPolarHBondContact CA-O 3.47Å; G597-E674 PolarHBondContact N-O 3.29Å; P672-E674 PolarHBondContact O-N 3.19Å; P672-E674 VanDerWaalsContact O-N 3.1Å
675	Q	90.4	Very high	83.2	Confident	115 Å²	115	50.7 Å²	50.7	54%	0.537	28%	0.278	S	S	.	.	S	Bend	trans	-89.8	145.5	-177.7	-70.5	-172.4	1	0	0	111.9	R103 A671 P672	R103-Q675 PolarHBondContact NH1-O 3.5Å; R103-Q675 PolarHBondContact NH2-O 3.4Å; A671-Q675 HydrophobicContact CB-CB 4.14Å; P672-Q675 HydrophobicContact CB-CG 4.24Å; P672-Q675 HydrophobicContact CG-CG 4.21Å; P672-Q675 PolarHBondContact O-N 3.14Å
676	D	90.3	Very high	82.8	Confident	66 Å²	66	50.7 Å²	50.7	35%	0.353	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-65.6	142	173.8	-66.8	-26.7	0	0	0	111.1	L598 K600	L598-D676 PolarHBondContact N-OD1 3.21Å; L598-D676 CarbonylContact O-C 3.57Å; L598-D676 WeakPolarHBondContact O-CA 3.34Å; K600-D676 HydrophobicContact CD-CB 4.41Å; K600-D676 WeakPolarHBondContact CE-OD2 3.18Å; K600-D676 IonicContact NZ-OD2 3.28Å; K600-D676 PolarHBondContact NZ-OD2 2.88Å
677	I	88.1	Confident	82.6	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.2	168.8	-64	168.1	0	0	0	107.4	L598 I599 K600 Y666 A670 A671	L598-I677 PolarHBondContact O-N 3Å; I599-I677 HydrophobicContact CD1-CD1 4.3Å; I599-I677 HydrophobicContact CG1-CB 4.28Å; I599-I677 HydrophobicContact CG1-CD1 4.35Å; K600-I677 PolarHBondContact N-O 2.73Å; Y666-I677 WeakPolarHBondContact OH-CG2 3.31Å; A670-I677 HydrophobicContact CB-CD1 4.07Å; A670-I677 HydrophobicContact CB-CG1 4.33Å; A670-I677 HydrophobicContact CB-CG2 4.45Å; A671-I677 HydrophobicContact CB-CG1 3.76Å
678	L	87.3	Confident	82.6	Confident	93 Å²	93	54.1 Å²	54.1	49%	0.487	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.7	168.8	-55.7	-175.7	0	0	0	108.1	K600 W638 D680	K600-L678 HydrophobicContact CB-CD2 3.93Å; K600-L678 HydrophobicContact CD-CD2 4.01Å; K600-L678 HydrophobicContact CG-CD2 4.47Å; W638-L678 HydrophobicContact CB-CD2 4.27Å; W638-L678 HydrophobicContact CD2-CD2 4.33Å; W638-L678 HydrophobicContact CE3-CB 4.11Å; W638-L678 HydrophobicContact CE3-CD2 4.14Å; W638-L678 HydrophobicContact CG-CD2 4.41Å; W638-L678 HydrophobicContact CZ3-CB 4.09Å; L678-D680 PolarHBondContact O-N 2.96Å; L678-D680 VanDerWaalsContact O-N 3.12Å
679	W	84.3	Confident	82.6	Confident	25 Å²	25	54 Å²	54	10%	0.095	30%	0.304	C	S	.	.			trans	-76.9	97	178.7	-172.8	-77.5	0	0	0	110.8	M99 I599 K600 N601 W638 M641 I649 L654 Y666 M686	M99-W679 HydrophobicContact CE-CH2 4.38Å; M99-W679 HydrophobicContact CE-CZ3 3.83Å; I599-W679 HydrophobicContact CG2-CB 4.41Å; K600-W679 WeakPolarHBondContact O-CB 3.5Å; K600-W679 PolarHBondContact O-N 3.48Å; N601-W679 PolarHBondContact OD1-O 3.17Å; W638-W679 WeakPolarHBondContact CH2-O 3.45Å; W638-W679 WeakPolarHBondContact CZ3-O 3.39Å; M641-W679 HydrophobicContact CE-CB 3.92Å; M641-W679 HydrophobicContact CE-CG 4.2Å; I649-W679 HydrophobicContact CD1-CB 4.34Å; I649-W679 HydrophobicContact CD1-CD2 3.56Å; I649-W679 HydrophobicContact CD1-CE3 4.45Å; I649-W679 HydrophobicContact CD1-CG 3.43Å; I649-W679 VanDerWaalsContact CD1-CG 3.43Å; I649-W679 HydrophobicContact CD1-CZ2 4.18Å; L654-W679 HydrophobicContact CD1-CH2 3.41Å; L654-W679 VanDerWaalsContact CD1-CH2 3.41Å; L654-W679 HydrophobicContact CD1-CZ2 3.87Å; L654-W679 HydrophobicContact CD1-CZ3 4.17Å; L654-W679 HydrophobicContact CD2-CH2 4.04Å; L654-W679 HydrophobicContact CD2-CZ2 3.85Å; L654-W679 HydrophobicContact CG-CH2 4.39Å; Y666-W679 HydrophobicContact CD1-CZ3 4.02Å; Y666-W679 AromaticContact CE1-CE3 3.83Å; Y666-W679 HydrophobicContact CE1-CE3 3.83Å; Y666-W679 HydrophobicContact CE1-CH2 4.23Å; Y666-W679 AromaticContact CE1-CZ3 3.32Å; Y666-W679 HydrophobicContact CE1-CZ3 3.32Å; Y666-W679 AromaticContact CZ-CZ3 3.83Å; W679-M686 HydrophobicContact CH2-CE 3.78Å; W679-M686 HydrophobicContact CZ3-CE 4.46Å
680	D	72.1	Confident	82.5	Confident	42 Å²	42	54.1 Å²	54.1	23%	0.225	31%	0.306	C	S	.	.			trans	-122	120.2	174.1	173.8	17.2	0	0	0	110.5	W638 L678 K682 T683 D684	W638-D680 HydrophobicContact CH2-CB 3.83Å; W638-D680 HydrophobicContact CZ2-CB 4.38Å; L678-D680 PolarHBondContact O-N 2.96Å; L678-D680 VanDerWaalsContact O-N 3.12Å; D680-K682 PolarHBondContact O-N 2.78Å; D680-K682 PolarHBondContact OD1-N 2.95Å; D680-T683 VanDerWaalsContact CB-OG1 3.3Å; D680-T683 WeakPolarHBondContact CB-OG1 3.07Å; D680-T683 PolarHBondContact O-N 2.97Å; D680-T683 VanDerWaalsContact O-N 3.16Å; D680-T683 PolarHBondContact OD2-OG1 3.36Å; D680-D684 PolarHBondContact O-N 3.11Å; D680-D684 VanDerWaalsContact O-N 3.11Å
681	A	57.5	Low	82.7	Confident	88 Å²	88	60 Å²	60	73%	0.727	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.3	177.9	0	0	0	0	0	113.7
682	K	46.8	Very low	83.1	Confident	195 Å²	195	59.7 Å²	59.7	85%	0.848	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-23.9	179.4	-65.9	-178	179.5	177.9	0	114.3	D680	D680-K682 PolarHBondContact O-N 2.78Å; D680-K682 PolarHBondContact OD1-N 2.95Å
683	T	55.7	Low	83.4	Confident	110 Å²	110	58.4 Å²	58.4	68%	0.675	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	14.3	-177.5	52.1	0	0	0	0	112.8	D680	D680-T683 VanDerWaalsContact CB-OG1 3.3Å; D680-T683 WeakPolarHBondContact CB-OG1 3.07Å; D680-T683 PolarHBondContact O-N 2.97Å; D680-T683 VanDerWaalsContact O-N 3.16Å; D680-T683 PolarHBondContact OD2-OG1 3.36Å
684	D	68	Low	83.8	Confident	30 Å²	30	60.9 Å²	60.9	16%	0.16	32%	0.323	C	S	.	.			trans	-61.5	132	-176.6	-165.5	-7.3	0	0	0	112.9	Y666 D680 M686 P687	Y666-D684 WeakPolarHBondContact CD2-OD1 3.47Å; Y666-D684 WeakPolarHBondContact CE2-OD1 3.3Å; D680-D684 PolarHBondContact O-N 3.11Å; D680-D684 VanDerWaalsContact O-N 3.11Å; D684-M686 HydrophobicContact CB-CB 4.47Å; D684-M686 VanDerWaalsContact CG-CB 3.48Å; D684-M686 PolarHBondContact O-N 3.44Å; D684-M686 WeakPolarHBondContact OD1-CB 3.33Å; D684-M686 PolarHBondContact OD1-N 3.46Å; D684-M686 VanDerWaalsContact OD2-CB 3.3Å; D684-M686 WeakPolarHBondContact OD2-CB 3.4Å; D684-P687 WeakPolarHBondContact O-CD 3.26Å
685	A	81.8	Confident	84.2	Confident	29 Å²	29	58.7 Å²	58.7	24%	0.24	31%	0.31	C	S	.	.	S	Bend	trans	-71.9	-10.6	173.7	0	0	0	0	0	113	Y666 F669 G688 V689	Y666-A685 HydrophobicContact CD2-CB 3.99Å; Y666-A685 HydrophobicContact CE2-CB 3.98Å; F669-A685 HydrophobicContact CD1-CB 4.26Å; F669-A685 HydrophobicContact CE1-CB 4.49Å; A685-G688 WeakPolarHBondContact O-CA 3.36Å; A685-G688 PolarHBondContact O-N 2.93Å; A685-V689 PolarHBondContact O-N 3.31Å; A685-V689 VanDerWaalsContact O-N 3.12Å
686	M	88.8	Confident	84.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-50.5	-46.6	-177.3	-156.1	77.1	67.3	0	0	114.5	Y658 T662 Y666 W679 D684 G688 V689 Q690	Y658-M686 HydrophobicContact CD1-CG 3.51Å; Y658-M686 HydrophobicContact CD1-SD 4.2Å; Y658-M686 HydrophobicContact CE1-CG 3.59Å; Y658-M686 HydrophobicContact CG-CG 4.06Å; Y658-M686 HydrophobicContact CG-SD 4.19Å; T662-M686 HydrophobicContact CG2-CG 4.24Å; T662-M686 HydrophobicContact CG2-SD 3.78Å; Y666-M686 HydrophobicContact CD1-CE 4Å; Y666-M686 HydrophobicContact CD2-CE 4.02Å; Y666-M686 HydrophobicContact CD2-SD 4.32Å; Y666-M686 HydrophobicContact CG-CE 3.7Å; Y666-M686 HydrophobicContact CG-SD 4.02Å; W679-M686 HydrophobicContact CH2-CE 3.78Å; W679-M686 HydrophobicContact CZ3-CE 4.46Å; D684-M686 HydrophobicContact CB-CB 4.47Å; D684-M686 VanDerWaalsContact CG-CB 3.48Å; D684-M686 PolarHBondContact O-N 3.44Å; D684-M686 WeakPolarHBondContact OD1-CB 3.33Å; D684-M686 PolarHBondContact OD1-N 3.46Å; D684-M686 VanDerWaalsContact OD2-CB 3.3Å; D684-M686 WeakPolarHBondContact OD2-CB 3.4Å; M686-G688 VanDerWaalsContact C-N 3.25Å; M686-G688 PolarHBondContact O-N 3.4Å; M686-V689 WeakPolarHBondContact O-CB 3.48Å; M686-V689 PolarHBondContact O-N 3.47Å; M686-V689 VanDerWaalsContact O-N 3.16Å; M686-Q690 WeakPolarHBondContact O-CG 3.46Å; M686-Q690 PolarHBondContact O-N 3.27Å
687	P	90	Very high	85	Confident	59 Å²	59	50.2 Å²	50.2	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-31.7	178.3	-22.2	35.9	0	0	0	112.6	D684 R691	D684-P687 WeakPolarHBondContact O-CD 3.26Å; P687-R691 WeakPolarHBondContact O-CB 3.35Å; P687-R691 VanDerWaalsContact O-CG 3.32Å; P687-R691 WeakPolarHBondContact O-CG 3.26Å; P687-R691 PolarHBondContact O-N 2.93Å; P687-R691 PolarHBondContact O-NH1 3.02Å
688	G	92.2	Very high	85.4	Confident	22 Å²	22	51.8 Å²	51.8	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-44.6	174.2	0	0	0	0	0	111.9	A685 M686 R691 W692	A685-G688 WeakPolarHBondContact O-CA 3.36Å; A685-G688 PolarHBondContact O-N 2.93Å; M686-G688 VanDerWaalsContact C-N 3.25Å; M686-G688 PolarHBondContact O-N 3.4Å; G688-R691 PolarHBondContact O-N 3.01Å; G688-W692 PolarHBondContact O-N 3.47Å
689	V	94.6	Very high	86	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-47.2	175.6	172.5	0	0	0	0	111.3	T662 L665 F669 A685 M686 R691 W692 Q693	T662-V689 HydrophobicContact CG2-CG1 4.04Å; L665-V689 HydrophobicContact CB-CG1 3.44Å; L665-V689 VanDerWaalsContact CB-CG1 3.44Å; L665-V689 HydrophobicContact CB-CG2 4.48Å; L665-V689 HydrophobicContact CD1-CG1 3.96Å; L665-V689 HydrophobicContact CG-CG1 4.37Å; F669-V689 HydrophobicContact CD1-CG2 4.13Å; A685-V689 PolarHBondContact O-N 3.31Å; A685-V689 VanDerWaalsContact O-N 3.12Å; M686-V689 WeakPolarHBondContact O-CB 3.48Å; M686-V689 PolarHBondContact O-N 3.47Å; M686-V689 VanDerWaalsContact O-N 3.16Å; V689-R691 PolarHBondContact O-N 3.1Å; V689-W692 PolarHBondContact O-N 3.07Å; V689-W692 VanDerWaalsContact O-N 3.16Å; V689-Q693 PolarHBondContact O-N 2.91Å
690	Q	94.3	Very high	86.6	Confident	56 Å²	56	46.2 Å²	46.2	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-44.7	178.2	-69.1	-176.1	-42.6	0	0	112.1	T662 M686 W692 Q693 T694	T662-Q690 HydrophobicContact CG2-CG 3.63Å; M686-Q690 WeakPolarHBondContact O-CG 3.46Å; M686-Q690 PolarHBondContact O-N 3.27Å; Q690-W692 VanDerWaalsContact C-N 3.26Å; Q690-W692 PolarHBondContact O-N 3.2Å; Q690-Q693 PolarHBondContact O-N 2.83Å; Q690-T694 PolarHBondContact O-N 3.16Å; Q690-T694 PolarHBondContact O-OG1 3.2Å
691	R	95.3	Very high	87.8	Confident	162 Å²	162	44.6 Å²	44.6	61%	0.611	24%	0.243	S	C	*	.	H	α-helix	trans	-59.3	-38.7	175.1	-75.8	-170.9	-58.8	-91.5	5.3	111.9	P687 G688 V689 T694 R695	P687-R691 WeakPolarHBondContact O-CB 3.35Å; P687-R691 VanDerWaalsContact O-CG 3.32Å; P687-R691 WeakPolarHBondContact O-CG 3.26Å; P687-R691 PolarHBondContact O-N 2.93Å; P687-R691 PolarHBondContact O-NH1 3.02Å; G688-R691 PolarHBondContact O-N 3.01Å; V689-R691 PolarHBondContact O-N 3.1Å; R691-T694 PolarHBondContact O-N 3.04Å; R691-R695 PolarHBondContact O-N 3.48Å
692	W	97.6	Very high	89.7	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-42.8	177.3	-177	49.4	0	0	0	112.3	L665 G688 V689 Q690 T694 R695 L696 I754 L757 M758 S761 V789	L665-W692 HydrophobicContact CD1-CE3 4.2Å; L665-W692 HydrophobicContact CD1-CZ3 4.04Å; L665-W692 HydrophobicContact CD2-CZ3 3.87Å; G688-W692 PolarHBondContact O-N 3.47Å; V689-W692 PolarHBondContact O-N 3.07Å; V689-W692 VanDerWaalsContact O-N 3.16Å; Q690-W692 VanDerWaalsContact C-N 3.26Å; Q690-W692 PolarHBondContact O-N 3.2Å; W692-T694 VanDerWaalsContact C-N 3.34Å; W692-T694 PolarHBondContact O-N 2.83Å; W692-R695 WeakPolarHBondContact O-CA 3.48Å; W692-R695 WeakPolarHBondContact O-CB 3.22Å; W692-R695 PolarHBondContact O-N 3.12Å; W692-L696 HydrophobicContact CD2-CD1 4.18Å; W692-L696 HydrophobicContact CE3-CD1 4.45Å; W692-L696 HydrophobicContact CH2-CD1 4.29Å; W692-L696 HydrophobicContact CZ2-CD1 3.97Å; W692-L696 HydrophobicContact CZ2-CD2 4.23Å; W692-L696 HydrophobicContact CZ2-CG 4.45Å; W692-L696 WeakPolarHBondContact O-CG 3.01Å; W692-L696 PolarHBondContact O-N 3.13Å; W692-I754 HydrophobicContact CE3-CG2 4.26Å; W692-I754 HydrophobicContact CH2-CG2 4.14Å; W692-I754 HydrophobicContact CZ3-CG2 3.8Å; W692-L757 HydrophobicContact CH2-CB 4.02Å; W692-L757 HydrophobicContact CH2-CD1 4.47Å; W692-L757 HydrophobicContact CZ2-CB 3.68Å; W692-M758 HydrophobicContact CB-CE 3.88Å; W692-M758 HydrophobicContact CD2-CE 3.74Å; W692-M758 HydrophobicContact CD2-CG 3.62Å; W692-M758 HydrophobicContact CE3-CE 3.7Å; W692-M758 HydrophobicContact CE3-CG 4.29Å; W692-M758 HydrophobicContact CG-CE 3.83Å; W692-M758 HydrophobicContact CG-CG 3.71Å; W692-M758 HydrophobicContact CG-SD 4.45Å; W692-M758 HydrophobicContact CZ2-CG 4.13Å; W692-M758 HydrophobicContact CZ3-CE 4.48Å; W692-S761 PolarHBondContact NE1-OG 3.08Å; W692-V789 HydrophobicContact CH2-CG2 3.95Å; W692-V789 HydrophobicContact CZ2-CG2 4.18Å
693	Q	97.8	Very high	92.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-45.8	172.4	-71.7	-179.6	-32.6	0	0	112.1	Y51 R56 T662 L665 V689 Q690 R695 L696 W697	Y51-Q693 HydrophobicContact CD1-CB 4.17Å; Y51-Q693 HydrophobicContact CE1-CB 3.95Å; R56-Q693 VanDerWaalsContact NH2-OE1 3.09Å; T662-Q693 PolarHBondContact OG1-NE2 3.12Å; T662-Q693 PolarHBondContact OG1-OE1 3.11Å; T662-Q693 VanDerWaalsContact OG1-OE1 3.12Å; L665-Q693 HydrophobicContact CD1-CG 3.9Å; V689-Q693 PolarHBondContact O-N 2.91Å; Q690-Q693 PolarHBondContact O-N 2.83Å; Q693-R695 VanDerWaalsContact C-N 3.27Å; Q693-R695 PolarHBondContact O-N 2.75Å; Q693-L696 PolarHBondContact O-N 2.97Å; Q693-W697 PolarHBondContact O-N 3.35Å
694	T	97.4	Very high	94	Very high	58 Å²	58	29.4 Å²	29.4	36%	0.356	15%	0.151	S	C	.	.	H	α-helix	trans	-60.8	-37.6	175.7	-56.4	0	0	0	0	111.5	Q690 R691 W692 W697 T698	Q690-T694 PolarHBondContact O-N 3.16Å; Q690-T694 PolarHBondContact O-OG1 3.2Å; R691-T694 PolarHBondContact O-N 3.04Å; W692-T694 VanDerWaalsContact C-N 3.34Å; W692-T694 PolarHBondContact O-N 2.83Å; T694-W697 PolarHBondContact O-N 3.13Å; T694-T698 WeakPolarHBondContact O-CB 3.31Å; T694-T698 PolarHBondContact O-N 3.45Å; T694-T698 PolarHBondContact O-OG1 2.93Å
695	R	98.1	Very high	95.2	Very high	70 Å²	70	31.8 Å²	31.8	26%	0.264	16%	0.161	S	C	.	.	H	α-helix	trans	-63.1	-48.1	174.9	-175.8	-174.6	-63.7	140.3	-1.2	111.8	R691 W692 Q693 W697 T698 L699 N762 Y765	R691-R695 PolarHBondContact O-N 3.48Å; W692-R695 WeakPolarHBondContact O-CA 3.48Å; W692-R695 WeakPolarHBondContact O-CB 3.22Å; W692-R695 PolarHBondContact O-N 3.12Å; Q693-R695 VanDerWaalsContact C-N 3.27Å; Q693-R695 PolarHBondContact O-N 2.75Å; R695-W697 VanDerWaalsContact C-N 3.31Å; R695-W697 PolarHBondContact O-N 2.8Å; R695-T698 WeakPolarHBondContact O-CB 3.38Å; R695-T698 PolarHBondContact O-N 2.85Å; R695-T698 VanDerWaalsContact O-N 3.15Å; R695-L699 WeakPolarHBondContact O-CG 3.17Å; R695-L699 PolarHBondContact O-N 3Å; R695-N762 PolarHBondContact NE-OD1 3.47Å; R695-N762 PolarHBondContact NH1-OD1 3.23Å; R695-N762 PolarHBondContact NH2-OD1 2.6Å; R695-Y765 HydrophobicContact CG-CD2 3.76Å; R695-Y765 HydrophobicContact CG-CE2 4.3Å; R695-Y765 HydrophobicContact CG-CG 4.23Å
696	L	98.5	Very high	95.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-55.7	-48.9	177.1	-66.2	174.7	0	0	0	110.7	W692 Q693 T698 L699 V700 L785 V789 M800	W692-L696 HydrophobicContact CD2-CD1 4.18Å; W692-L696 HydrophobicContact CE3-CD1 4.45Å; W692-L696 HydrophobicContact CH2-CD1 4.29Å; W692-L696 HydrophobicContact CZ2-CD1 3.97Å; W692-L696 HydrophobicContact CZ2-CD2 4.23Å; W692-L696 HydrophobicContact CZ2-CG 4.45Å; W692-L696 WeakPolarHBondContact O-CG 3.01Å; W692-L696 PolarHBondContact O-N 3.13Å; Q693-L696 PolarHBondContact O-N 2.97Å; L696-T698 VanDerWaalsContact C-N 3.32Å; L696-T698 PolarHBondContact O-N 3.04Å; L696-L699 WeakPolarHBondContact O-CB 3.35Å; L696-L699 PolarHBondContact O-N 2.76Å; L696-V700 PolarHBondContact O-N 3.33Å; L696-L785 HydrophobicContact CD2-CD1 4.35Å; L696-L785 HydrophobicContact CD2-CD2 3.62Å; L696-L785 HydrophobicContact CD2-CG 3.99Å; L696-V789 HydrophobicContact CD1-CG1 4.33Å; L696-V789 HydrophobicContact CD1-CG2 4.22Å; L696-M800 HydrophobicContact CB-CE 4.23Å; L696-M800 HydrophobicContact CB-SD 3.73Å; L696-M800 HydrophobicContact CD1-CE 4.46Å
697	W	98.4	Very high	95.9	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-40.5	176.9	-167.6	-90	0	0	0	113	W47 E48 Y51 T55 V59 Q693 T694 R695 L699 V700 T701 V796 E799 M800	W47-W697 AromaticContact CE2-CZ2 3.98Å; W47-W697 HydrophobicContact CH2-CD2 4.16Å; W47-W697 AromaticContact CH2-CE2 3.93Å; W47-W697 HydrophobicContact CH2-CE3 4.04Å; W47-W697 AromaticContact CH2-CH2 3.5Å; W47-W697 HydrophobicContact CH2-CH2 3.5Å; W47-W697 VanDerWaalsContact CH2-CH2 3.5Å; W47-W697 AromaticContact CH2-CZ2 3.62Å; W47-W697 HydrophobicContact CH2-CZ2 3.62Å; W47-W697 AromaticContact CH2-CZ3 3.71Å; W47-W697 HydrophobicContact CH2-CZ3 3.71Å; W47-W697 AromaticContact CZ2-CD2 3.81Å; W47-W697 HydrophobicContact CZ2-CD2 3.81Å; W47-W697 AromaticContact CZ2-CE2 3.44Å; W47-W697 VanDerWaalsContact CZ2-CE2 3.44Å; W47-W697 HydrophobicContact CZ2-CE3 4.16Å; W47-W697 HydrophobicContact CZ2-CG 4.41Å; W47-W697 AromaticContact CZ2-CH2 3.9Å; W47-W697 HydrophobicContact CZ2-CH2 3.9Å; W47-W697 AromaticContact CZ2-CZ2 3.51Å; W47-W697 HydrophobicContact CZ2-CZ2 3.51Å; W47-W697 HydrophobicContact CZ2-CZ3 4.2Å; W47-W697 AromaticContact CZ2-NE1 3.82Å; W47-W697 HydrophobicContact CZ3-CH2 4.01Å; W47-W697 HydrophobicContact CZ3-CZ2 4.22Å; E48-W697 HydrophobicContact CB-CZ2 4.37Å; E48-W697 WeakPolarHBondContact O-CZ2 3.15Å; E48-W697 PolarHBondContact O-NE1 3.06Å; Y51-W697 VanDerWaalsContact CB-CG 3.48Å; Y51-W697 AromaticContact CD2-CD2 3.52Å; Y51-W697 HydrophobicContact CD2-CD2 3.52Å; Y51-W697 AromaticContact CD2-CE2 3.99Å; Y51-W697 AromaticContact CD2-CE3 3.44Å; Y51-W697 HydrophobicContact CD2-CE3 3.44Å; Y51-W697 VanDerWaalsContact CD2-CE3 3.44Å; Y51-W697 HydrophobicContact CD2-CG 4.03Å; Y51-W697 HydrophobicContact CD2-CH2 4.28Å; Y51-W697 HydrophobicContact CD2-CZ2 4.35Å; Y51-W697 AromaticContact CD2-CZ3 3.85Å; Y51-W697 HydrophobicContact CD2-CZ3 3.85Å; Y51-W697 HydrophobicContact CE2-CD2 4.32Å; Y51-W697 AromaticContact CE2-CE3 3.77Å; Y51-W697 HydrophobicContact CE2-CE3 3.77Å; Y51-W697 AromaticContact CE2-CZ3 3.89Å; Y51-W697 HydrophobicContact CE2-CZ3 3.89Å; Y51-W697 HydrophobicContact CG-CB 4.05Å; Y51-W697 AromaticContact CG-CD2 3.93Å; Y51-W697 HydrophobicContact CG-CD2 3.93Å; Y51-W697 HydrophobicContact CG-CE3 4.13Å; Y51-W697 AromaticContact CG-CG 3.92Å; Y51-W697 HydrophobicContact CG-CG 3.92Å; T55-W697 HydrophobicContact CG2-CZ2 4.34Å; V59-W697 HydrophobicContact CG2-CH2 4.34Å; V59-W697 HydrophobicContact CG2-CZ3 4.45Å; Q693-W697 PolarHBondContact O-N 3.35Å; T694-W697 PolarHBondContact O-N 3.13Å; R695-W697 VanDerWaalsContact C-N 3.31Å; R695-W697 PolarHBondContact O-N 2.8Å; W697-L699 VanDerWaalsContact C-N 3.35Å; W697-L699 PolarHBondContact O-N 3.43Å; W697-V700 PolarHBondContact O-N 3.5Å; W697-T701 WeakPolarHBondContact O-CB 3.06Å; W697-T701 PolarHBondContact O-N 2.76Å; W697-T701 PolarHBondContact O-OG1 2.71Å; W697-V796 HydrophobicContact CE3-CG2 4.26Å; W697-E799 HydrophobicContact CH2-CB 4.41Å; W697-E799 HydrophobicContact CH2-CG 3.49Å; W697-E799 VanDerWaalsContact CH2-CG 3.49Å; W697-E799 HydrophobicContact CZ3-CB 4.11Å; W697-E799 HydrophobicContact CZ3-CG 3.68Å; W697-M800 HydrophobicContact CE3-CG 3.92Å; W697-M800 HydrophobicContact CZ3-CG 4.25Å
698	T	98.3	Very high	95.7	Very high	38 Å²	38	32.4 Å²	32.4	23%	0.233	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-38.4	178.3	-57.4	0	0	0	0	111.6	T694 R695 L696 T701 K702 Y765	T694-T698 WeakPolarHBondContact O-CB 3.31Å; T694-T698 PolarHBondContact O-N 3.45Å; T694-T698 PolarHBondContact O-OG1 2.93Å; R695-T698 WeakPolarHBondContact O-CB 3.38Å; R695-T698 PolarHBondContact O-N 2.85Å; R695-T698 VanDerWaalsContact O-N 3.15Å; L696-T698 VanDerWaalsContact C-N 3.32Å; L696-T698 PolarHBondContact O-N 3.04Å; T698-T701 PolarHBondContact O-N 3.46Å; T698-K702 HydrophobicContact CG2-CD 4.46Å; T698-K702 HydrophobicContact CG2-CG 4.45Å; T698-K702 WeakPolarHBondContact O-CG 3.23Å; T698-K702 PolarHBondContact O-N 2.73Å; T698-Y765 HydrophobicContact CG2-CE2 3.81Å
699	L	98.4	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-48	176.1	-71.9	170.2	0	0	0	111.6	R695 L696 W697 T701 K702 L703 L764 Y765 L782 L785	R695-L699 WeakPolarHBondContact O-CG 3.17Å; R695-L699 PolarHBondContact O-N 3Å; L696-L699 WeakPolarHBondContact O-CB 3.35Å; L696-L699 PolarHBondContact O-N 2.76Å; W697-L699 VanDerWaalsContact C-N 3.35Å; W697-L699 PolarHBondContact O-N 3.43Å; L699-T701 VanDerWaalsContact C-N 3.35Å; L699-K702 PolarHBondContact O-N 3.2Å; L699-L703 PolarHBondContact O-N 3.39Å; L699-L703 VanDerWaalsContact O-N 3.16Å; L699-L764 HydrophobicContact CD1-CB 4.1Å; L699-L764 HydrophobicContact CD2-CB 3.86Å; L699-Y765 HydrophobicContact CD2-CD2 4.03Å; L699-Y765 HydrophobicContact CG-CD2 4.35Å; L699-L782 HydrophobicContact CB-CD1 3.72Å; L699-L782 HydrophobicContact CB-CD2 4.22Å; L699-L782 HydrophobicContact CD1-CD1 4.2Å; L699-L785 HydrophobicContact CD1-CD2 4.38Å
700	V	98.2	Very high	94.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-44.6	176.1	176.5	0	0	0	0	110.9	W47 L696 W697 K702 L703 I704 L782 M800 L804	W47-V700 HydrophobicContact CH2-CB 4.39Å; W47-V700 HydrophobicContact CH2-CG1 3.6Å; W47-V700 HydrophobicContact CZ2-CB 4.03Å; W47-V700 HydrophobicContact CZ2-CG1 3.5Å; W47-V700 HydrophobicContact CZ3-CG1 4.3Å; L696-V700 PolarHBondContact O-N 3.33Å; W697-V700 PolarHBondContact O-N 3.5Å; V700-K702 PolarHBondContact O-N 3.01Å; V700-L703 PolarHBondContact O-N 3.26Å; V700-I704 HydrophobicContact CG1-CD1 3.63Å; V700-I704 HydrophobicContact CG1-CG1 4.3Å; V700-I704 WeakPolarHBondContact O-CG1 3.47Å; V700-I704 PolarHBondContact O-N 3.02Å; V700-L782 HydrophobicContact CG2-CD1 4.3Å; V700-L782 HydrophobicContact CG2-CD2 4.33Å; V700-L782 HydrophobicContact CG2-CG 4.48Å; V700-M800 HydrophobicContact CG2-CB 4.01Å; V700-M800 HydrophobicContact CG2-CG 3.96Å; V700-M800 HydrophobicContact CG2-SD 3.99Å; V700-L804 HydrophobicContact CG1-CD2 3.93Å; V700-L804 HydrophobicContact CG1-CG 4.02Å; V700-L804 HydrophobicContact CG2-CD1 4.34Å; V700-L804 HydrophobicContact CG2-CD2 4.43Å; V700-L804 HydrophobicContact CG2-CG 4.38Å
701	T	97	Very high	94.2	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.055	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-49.5	176.2	-56.4	0	0	0	0	111.9	W47 K49 W697 T698 L699 L703 I704 E705	W47-T701 PolarHBondContact NE1-OG1 3.21Å; K49-T701 HydrophobicContact CB-CG2 4.15Å; K49-T701 HydrophobicContact CG-CG2 4.11Å; W697-T701 WeakPolarHBondContact O-CB 3.06Å; W697-T701 PolarHBondContact O-N 2.76Å; W697-T701 PolarHBondContact O-OG1 2.71Å; T698-T701 PolarHBondContact O-N 3.46Å; L699-T701 VanDerWaalsContact C-N 3.35Å; T701-L703 VanDerWaalsContact C-N 3.32Å; T701-L703 PolarHBondContact O-N 2.8Å; T701-I704 PolarHBondContact O-N 3.18Å; T701-E705 HydrophobicContact CG2-CG 4.37Å; T701-E705 WeakPolarHBondContact O-CB 3.29Å; T701-E705 WeakPolarHBondContact O-CG 3.4Å; T701-E705 PolarHBondContact O-N 3.34Å
702	K	96.5	Very high	94	Very high	56 Å²	56	36.8 Å²	36.8	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-42.1	179.6	-76.4	178.3	175.2	-176.3	0	112.2	T698 L699 V700 A706 I772	T698-K702 HydrophobicContact CG2-CD 4.46Å; T698-K702 HydrophobicContact CG2-CG 4.45Å; T698-K702 WeakPolarHBondContact O-CG 3.23Å; T698-K702 PolarHBondContact O-N 2.73Å; L699-K702 PolarHBondContact O-N 3.2Å; V700-K702 PolarHBondContact O-N 3.01Å; K702-A706 VanDerWaalsContact O-CB 3.32Å; K702-A706 WeakPolarHBondContact O-CB 3.49Å; K702-A706 PolarHBondContact O-N 3.19Å; K702-I772 HydrophobicContact CB-CD1 4.29Å; K702-I772 HydrophobicContact CD-CD1 4.12Å
703	L	96.8	Very high	93.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.7	-46.9	179.7	-177.3	59.2	0	0	0	111.7	L699 V700 T701 E705 A706 R707 I772 F778 E779 L782 L804 M807	L699-L703 PolarHBondContact O-N 3.39Å; L699-L703 VanDerWaalsContact O-N 3.16Å; V700-L703 PolarHBondContact O-N 3.26Å; T701-L703 VanDerWaalsContact C-N 3.32Å; T701-L703 PolarHBondContact O-N 2.8Å; L703-E705 VanDerWaalsContact C-N 3.32Å; L703-E705 PolarHBondContact O-N 3.29Å; L703-A706 PolarHBondContact O-N 3.47Å; L703-R707 HydrophobicContact CD1-CG 4.03Å; L703-R707 HydrophobicContact CG-CG 4.49Å; L703-R707 WeakPolarHBondContact O-CB 2.81Å; L703-R707 VanDerWaalsContact O-CG 3.28Å; L703-R707 WeakPolarHBondContact O-CG 3.44Å; L703-R707 PolarHBondContact O-N 3.02Å; L703-I772 HydrophobicContact CB-CG2 4.32Å; L703-I772 HydrophobicContact CD1-CG2 4.04Å; L703-I772 WeakPolarHBondContact CD1-O 3.36Å; L703-F778 HydrophobicContact CB-CE1 4.33Å; L703-F778 HydrophobicContact CD1-CD1 4.32Å; L703-F778 HydrophobicContact CD1-CE1 4.29Å; L703-F778 HydrophobicContact CD2-CE1 4.42Å; L703-E779 HydrophobicContact CD2-CB 4.41Å; L703-E779 HydrophobicContact CD2-CG 4.19Å; L703-L782 HydrophobicContact CB-CD2 4.15Å; L703-L782 HydrophobicContact CD2-CD2 3.85Å; L703-L804 HydrophobicContact CD2-CD2 3.88Å; L703-M807 HydrophobicContact CD1-SD 4.46Å; L703-M807 HydrophobicContact CD2-CE 4.36Å; L703-M807 HydrophobicContact CD2-SD 4.24Å; L703-M807 HydrophobicContact CG-CE 4.37Å; L703-M807 HydrophobicContact CG-SD 3.76Å
704	I	95.3	Very high	93.6	Very high	18 Å²	18	40.8 Å²	40.8	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-46.1	177	-69.7	172.1	0	0	0	110.5	W47 V700 T701 R707 T708	W47-I704 HydrophobicContact CB-CG2 4.46Å; W47-I704 HydrophobicContact CD2-CD1 3.5Å; W47-I704 HydrophobicContact CE3-CD1 3.7Å; W47-I704 HydrophobicContact CG-CD1 3.87Å; W47-I704 HydrophobicContact CG-CG2 4.47Å; W47-I704 HydrophobicContact CZ2-CD1 4.35Å; W47-I704 HydrophobicContact CZ3-CD1 4.24Å; V700-I704 HydrophobicContact CG1-CD1 3.63Å; V700-I704 HydrophobicContact CG1-CG1 4.3Å; V700-I704 WeakPolarHBondContact O-CG1 3.47Å; V700-I704 PolarHBondContact O-N 3.02Å; T701-I704 PolarHBondContact O-N 3.18Å; I704-R707 PolarHBondContact O-N 3.37Å; I704-T708 WeakPolarHBondContact O-CB 3.3Å; I704-T708 PolarHBondContact O-N 2.97Å; I704-T708 PolarHBondContact O-OG1 2.75Å
705	E	93.7	Very high	93.4	Very high	79 Å²	79	40.4 Å²	40.4	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-44.3	178	-73.5	-178	150	0	0	112.2	K49 T701 L703 R707 T708 S709	K49-E705 VanDerWaalsContact CD-OE1 3.28Å; K49-E705 WeakPolarHBondContact CD-OE1 3.36Å; K49-E705 WeakPolarHBondContact CE-OE1 3.23Å; K49-E705 IonicContact NZ-OE1 3.39Å; K49-E705 PolarHBondContact NZ-OE1 3.46Å; T701-E705 HydrophobicContact CG2-CG 4.37Å; T701-E705 WeakPolarHBondContact O-CB 3.29Å; T701-E705 WeakPolarHBondContact O-CG 3.4Å; T701-E705 PolarHBondContact O-N 3.34Å; L703-E705 VanDerWaalsContact C-N 3.32Å; L703-E705 PolarHBondContact O-N 3.29Å; E705-R707 VanDerWaalsContact C-N 3.3Å; E705-R707 PolarHBondContact O-N 2.92Å; E705-T708 PolarHBondContact O-N 3.3Å; E705-S709 PolarHBondContact O-N 3.39Å; E705-S709 VanDerWaalsContact O-N 3.13Å
706	A	93.4	Very high	93.2	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-45.5	176.5	0	0	0	0	0	111	K702 L703 S709 I772 L773	K702-A706 VanDerWaalsContact O-CB 3.32Å; K702-A706 WeakPolarHBondContact O-CB 3.49Å; K702-A706 PolarHBondContact O-N 3.19Å; L703-A706 PolarHBondContact O-N 3.47Å; A706-S709 WeakPolarHBondContact O-CB 3.3Å; A706-S709 PolarHBondContact O-N 2.89Å; A706-S709 PolarHBondContact O-OG 3.39Å; A706-I772 HydrophobicContact CB-CG2 3.96Å; A706-L773 HydrophobicContact CB-CB 4.38Å; A706-L773 HydrophobicContact CB-CD1 3.99Å; A706-L773 WeakPolarHBondContact O-CD1 3.4Å
707	R	91.3	Very high	93	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-76.7	-21.5	-176.1	-67.3	-107.7	178.5	-72.9	1.1	114.2	L703 I704 E705 L773 E779 M807 N809	L703-R707 HydrophobicContact CD1-CG 4.03Å; L703-R707 HydrophobicContact CG-CG 4.49Å; L703-R707 WeakPolarHBondContact O-CB 2.81Å; L703-R707 VanDerWaalsContact O-CG 3.28Å; L703-R707 WeakPolarHBondContact O-CG 3.44Å; L703-R707 PolarHBondContact O-N 3.02Å; I704-R707 PolarHBondContact O-N 3.37Å; E705-R707 VanDerWaalsContact C-N 3.3Å; E705-R707 PolarHBondContact O-N 2.92Å; R707-L773 VanDerWaalsContact CZ-O 3.31Å; R707-L773 VanDerWaalsContact NH1-C 3.31Å; R707-L773 PolarHBondContact NH1-O 3.34Å; R707-L773 PolarHBondContact NH2-O 2.95Å; R707-E779 IonicContact CZ-OE2 3.84Å; R707-E779 IonicContact NE-OE2 3.1Å; R707-E779 PolarHBondContact NE-OE2 2.88Å; R707-E779 IonicContact NH2-OE2 2.82Å; R707-M807 HydrophobicContact CB-CE 4.46Å; R707-M807 HydrophobicContact CB-CG 3.61Å; R707-M807 HydrophobicContact CB-SD 3.59Å; R707-M807 VanDerWaalsContact CB-SD 3.59Å; R707-M807 HydrophobicContact CG-CE 3.92Å; R707-M807 HydrophobicContact CG-CG 4.09Å; R707-M807 HydrophobicContact CG-SD 3.4Å; R707-M807 WeakPolarHBondContact CG-SD 3.29Å; R707-N809 VanDerWaalsContact CD-O 3.28Å; R707-N809 WeakPolarHBondContact CD-O 3.49Å; R707-N809 PolarHBondContact NE-O 3.2Å
708	T	86.3	Confident	92.9	Very high	101 Å²	101	49 Å²	49	62%	0.62	28%	0.283	S	S	*	.	H	α-helix	trans	-93.2	-5	177	-46.2	0	0	0	0	112.4	I704 E705 G710	I704-T708 WeakPolarHBondContact O-CB 3.3Å; I704-T708 PolarHBondContact O-N 2.97Å; I704-T708 PolarHBondContact O-OG1 2.75Å; E705-T708 PolarHBondContact O-N 3.3Å; T708-G710 PolarHBondContact O-N 3.3Å; T708-G710 VanDerWaalsContact O-N 3.14Å
709	S	81.8	Confident	92.7	Very high	73 Å²	73	49.8 Å²	49.8	51%	0.51	29%	0.291	S	S	.	.	S	Bend	trans	-68.2	-7.9	-178.5	70.4	0	0	0	0	115.4	E705 A706	E705-S709 PolarHBondContact O-N 3.39Å; E705-S709 VanDerWaalsContact O-N 3.13Å; A706-S709 WeakPolarHBondContact O-CB 3.3Å; A706-S709 PolarHBondContact O-N 2.89Å; A706-S709 PolarHBondContact O-OG 3.39Å
710	G	79.6	Confident	92.5	Very high	69 Å²	69	59 Å²	59	71%	0.711	33%	0.331	S	S	*	.	S	Bend	trans	89.7	-8.3	-176	0	0	0	0	0	114.8	T708	T708-G710 PolarHBondContact O-N 3.3Å; T708-G710 VanDerWaalsContact O-N 3.14Å
711	T	88.4	Confident	92.2	Very high	70 Å²	70	67 Å²	67	43%	0.429	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-83.6	123.8	173.5	-51.3	0	0	0	0	110.8	L773	T711-L773 HydrophobicContact CG2-CD2 3.8Å
712	M	91.3	Very high	92.2	Very high	121 Å²	121	68.2 Å²	68.2	60%	0.596	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-71.7	133.7	176.7	-70.6	-59.3	-69.1	0	0	111.5	N809	M712-N809 HydrophobicContact CE-CB 4.36Å; M712-N809 WeakPolarHBondContact CE-OD1 3.48Å; M712-N809 PolarHBondContact SD-OD1 3.3Å
713	P	92.9	Very high	92.1	Very high	19 Å²	19	69.7 Å²	69.7	12%	0.123	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-66.8	135.5	174.2	23.4	-28.1	0	0	0	111.7	L773 N809 L811	P713-L773 VanDerWaalsContact CB-O 3.32Å; P713-L773 WeakPolarHBondContact CB-O 3.29Å; P713-N809 HydrophobicContact CG-CB 3.68Å; P713-N809 WeakPolarHBondContact CG-O 3.43Å; P713-L811 HydrophobicContact CB-CD1 4.06Å; P713-L811 HydrophobicContact CB-CD2 3.91Å; P713-L811 HydrophobicContact CB-CG 4.09Å; P713-L811 HydrophobicContact CG-CD2 4.04Å; P713-L811 HydrophobicContact CG-CG 4.34Å
714	N	94.4	Very high	91.8	Very high	68 Å²	68	72.3 Å²	72.3	36%	0.364	40%	0.398	S	S	.	.			trans	-146.3	107.4	173.7	179.6	-1.1	0	0	0	109.6	E716 L717 H774	N714-E716 PolarHBondContact O-N 2.91Å; N714-E716 VanDerWaalsContact O-N 3.08Å; N714-E716 WeakPolarHBondContact OD1-CB 3.29Å; N714-E716 PolarHBondContact OD1-N 2.88Å; N714-L717 HydrophobicContact CB-CD1 3.89Å; N714-L717 HydrophobicContact CB-CG 3.95Å; N714-L717 WeakPolarHBondContact O-CB 3.46Å; N714-L717 PolarHBondContact O-N 3.33Å; N714-H774 PolarHBondContact N-ND1 3.08Å; N714-H774 WeakPolarHBondContact O-CB 2.9Å
715	P	93.2	Very high	91.8	Very high	49 Å²	49	74.4 Å²	74.4	32%	0.318	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.5	178.8	-27	35	0	0	0	114.8	L717 L718 H774 L811	P715-L717 PolarHBondContact O-N 3.28Å; P715-L718 WeakPolarHBondContact O-CB 3.42Å; P715-L718 WeakPolarHBondContact O-CG 3.16Å; P715-L718 PolarHBondContact O-N 3.05Å; P715-H774 VanDerWaalsContact CA-O 3.29Å; P715-H774 WeakPolarHBondContact CA-O 3.28Å; P715-H774 WeakPolarHBondContact CG-O 3.33Å; P715-L811 HydrophobicContact CG-CD1 4.39Å
716	E	94	Very high	92	Very high	135 Å²	135	70.7 Å²	70.7	63%	0.631	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-71.1	-16.1	178.6	-64.5	-52.9	145.6	0	0	114	N714 L718 K723	N714-E716 PolarHBondContact O-N 2.91Å; N714-E716 VanDerWaalsContact O-N 3.08Å; N714-E716 WeakPolarHBondContact OD1-CB 3.29Å; N714-E716 PolarHBondContact OD1-N 2.88Å; E716-L718 PolarHBondContact O-N 2.99Å; E716-K723 IonicContact OE2-NZ 2.76Å; E716-K723 PolarHBondContact OE2-NZ 3.13Å
717	L	94.1	Very high	92	Very high	108 Å²	108	75.2 Å²	75.2	57%	0.565	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-77.2	-7.3	175.5	-61.4	178.5	0	0	0	113.1	N714 P715	N714-L717 HydrophobicContact CB-CD1 3.89Å; N714-L717 HydrophobicContact CB-CG 3.95Å; N714-L717 WeakPolarHBondContact O-CB 3.46Å; N714-L717 PolarHBondContact O-N 3.33Å; P715-L717 PolarHBondContact O-N 3.28Å
718	L	95.3	Very high	92.2	Very high	11 Å²	11	81.4 Å²	81.4	6%	0.058	43%	0.434	C	S	.	.	S	Bend	trans	-73.5	128.3	176	-64.5	177.7	0	0	0	110.7	P715 E716 Q722 K723 L771 H774	P715-L718 WeakPolarHBondContact O-CB 3.42Å; P715-L718 WeakPolarHBondContact O-CG 3.16Å; P715-L718 PolarHBondContact O-N 3.05Å; E716-L718 PolarHBondContact O-N 2.99Å; L718-Q722 HydrophobicContact CB-CB 4.08Å; L718-Q722 HydrophobicContact CD2-CB 3.99Å; L718-K723 HydrophobicContact CB-CG 3.67Å; L718-K723 WeakPolarHBondContact O-CE 3.45Å; L718-L771 HydrophobicContact CD1-CD2 4.29Å; L718-L771 HydrophobicContact CD2-CD2 4.03Å; L718-H774 HydrophobicContact CD2-CB 3.76Å; L718-H774 HydrophobicContact CG-CB 3.97Å
719	S	95.3	Very high	92.7	Very high	56 Å²	56	76.8 Å²	76.8	39%	0.392	41%	0.405	S	S	.	.			trans	-61.1	160.1	169.4	66.2	0	0	0	0	111.4	K721 Q722 K723	S719-K721 PolarHBondContact O-N 3.21Å; S719-K721 VanDerWaalsContact O-N 3.14Å; S719-Q722 CarbonylContact O-C 3.54Å; S719-Q722 WeakPolarHBondContact O-CA 3.4Å; S719-Q722 PolarHBondContact O-N 2.76Å; S719-Q722 VanDerWaalsContact OG-CD 3.27Å; S719-Q722 WeakPolarHBondContact OG-CG 3.06Å; S719-Q722 PolarHBondContact OG-N 3.25Å; S719-Q722 PolarHBondContact OG-OE1 3.05Å; S719-K723 PolarHBondContact O-N 3.11Å
720	K	92.9	Very high	93.4	Very high	194 Å²	194	74.1 Å²	74.1	84%	0.843	38%	0.384	S	S	*	.	H	α-helix	trans	-51.3	-40	175.7	-172.6	178.2	-179.6	-179.7	0	112.8	A724	K720-A724 PolarHBondContact O-N 2.67Å; K720-A724 VanDerWaalsContact O-N 3.1Å
721	K	93.4	Very high	94.2	Very high	168 Å²	168	74.3 Å²	74.3	73%	0.73	37%	0.367	S	S	*	.	H	α-helix	trans	-63.9	-43.6	176.5	-176.6	-178.4	176.6	-176.4	0	111.6	S719 A724 E725	S719-K721 PolarHBondContact O-N 3.21Å; S719-K721 VanDerWaalsContact O-N 3.14Å; K721-A724 PolarHBondContact O-N 2.81Å; K721-E725 PolarHBondContact O-N 3.18Å
722	Q	95.6	Very high	94.5	Very high	35 Å²	35	74.3 Å²	74.3	16%	0.164	36%	0.362	C	S	.	.	H	α-helix	trans	-70.9	-39	178.9	-71.3	159.7	-37.2	0	0	111.9	L718 S719 A724 E725 A726 L771	L718-Q722 HydrophobicContact CB-CB 4.08Å; L718-Q722 HydrophobicContact CD2-CB 3.99Å; S719-Q722 CarbonylContact O-C 3.54Å; S719-Q722 WeakPolarHBondContact O-CA 3.4Å; S719-Q722 PolarHBondContact O-N 2.76Å; S719-Q722 VanDerWaalsContact OG-CD 3.27Å; S719-Q722 WeakPolarHBondContact OG-CG 3.06Å; S719-Q722 PolarHBondContact OG-N 3.25Å; S719-Q722 PolarHBondContact OG-OE1 3.05Å; Q722-A724 VanDerWaalsContact C-N 3.26Å; Q722-A724 PolarHBondContact O-N 3.37Å; Q722-E725 WeakPolarHBondContact O-CB 3.28Å; Q722-E725 PolarHBondContact O-N 3.01Å; Q722-E725 VanDerWaalsContact O-N 3.09Å; Q722-A726 WeakPolarHBondContact O-CB 3.47Å; Q722-A726 PolarHBondContact O-N 3.26Å; Q722-L771 HydrophobicContact CB-CD2 3.96Å; Q722-L771 HydrophobicContact CB-CG 4.23Å; Q722-L771 HydrophobicContact CG-CG 4.28Å; Q722-L771 WeakPolarHBondContact O-CD2 3.46Å
723	K	94.3	Very high	94.9	Very high	87 Å²	87	69.1 Å²	69.1	38%	0.378	34%	0.336	S	S	.	.	H	α-helix	trans	-58.3	-40.2	172.3	-68.1	-171.8	177.3	-169.6	0	111.3	E716 L718 S719 A726 R727	E716-K723 IonicContact OE2-NZ 2.76Å; E716-K723 PolarHBondContact OE2-NZ 3.13Å; L718-K723 HydrophobicContact CB-CG 3.67Å; L718-K723 WeakPolarHBondContact O-CE 3.45Å; S719-K723 PolarHBondContact O-N 3.11Å; K723-A726 PolarHBondContact O-N 2.95Å; K723-R727 PolarHBondContact O-N 3.39Å
724	A	92.3	Very high	95.1	Very high	54 Å²	54	68.2 Å²	68.2	45%	0.446	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-36.7	173.8	0	0	0	0	0	113.2	K720 K721 Q722 R727 K728	K720-A724 PolarHBondContact O-N 2.67Å; K720-A724 VanDerWaalsContact O-N 3.1Å; K721-A724 PolarHBondContact O-N 2.81Å; Q722-A724 VanDerWaalsContact C-N 3.26Å; Q722-A724 PolarHBondContact O-N 3.37Å; A724-R727 PolarHBondContact O-N 3.36Å; A724-K728 WeakPolarHBondContact O-CG 3.16Å; A724-K728 PolarHBondContact O-N 2.98Å; A724-K728 VanDerWaalsContact O-N 3.12Å
725	E	95.1	Very high	95	Very high	63 Å²	63	67.3 Å²	67.3	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-68.2	-40.7	174.5	-168.8	176.7	162	0	0	112	K721 Q722 K728 I729 L771	K721-E725 PolarHBondContact O-N 3.18Å; Q722-E725 WeakPolarHBondContact O-CB 3.28Å; Q722-E725 PolarHBondContact O-N 3.01Å; Q722-E725 VanDerWaalsContact O-N 3.09Å; E725-K728 WeakPolarHBondContact O-CB 3.02Å; E725-K728 PolarHBondContact O-N 3Å; E725-I729 PolarHBondContact O-N 3.47Å; E725-L771 HydrophobicContact CB-CD1 3.94Å; E725-L771 HydrophobicContact CG-CD1 3.66Å; E725-L771 VanDerWaalsContact OE1-CD1 3.29Å; E725-L771 WeakPolarHBondContact OE1-CD1 3.47Å; E725-L771 WeakPolarHBondContact OE2-CD1 3.49Å
726	A	96.3	Very high	95.3	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-43.1	172.9	0	0	0	0	0	111.7	Q722 K723 K728 I729 W730 L771 S775 E777	Q722-A726 WeakPolarHBondContact O-CB 3.47Å; Q722-A726 PolarHBondContact O-N 3.26Å; K723-A726 PolarHBondContact O-N 2.95Å; A726-K728 VanDerWaalsContact C-N 3.33Å; A726-K728 PolarHBondContact O-N 3.05Å; A726-I729 WeakPolarHBondContact O-CB 3.37Å; A726-I729 PolarHBondContact O-N 3.47Å; A726-I729 VanDerWaalsContact O-N 3.11Å; A726-W730 PolarHBondContact O-N 3.16Å; A726-L771 HydrophobicContact CB-CD2 4Å; A726-S775 WeakPolarHBondContact CB-OG 3.3Å; A726-E777 HydrophobicContact CB-CB 4.31Å; A726-E777 HydrophobicContact CB-CG 4.31Å; A726-E777 WeakPolarHBondContact O-CB 3.37Å
727	R	94.7	Very high	95.5	Very high	97 Å²	97	58.8 Å²	58.8	37%	0.366	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-42.7	173.7	-177.5	60.4	174.5	-158.6	-4.4	112.1	K723 A724 I729 W730 E731 E832	K723-R727 PolarHBondContact O-N 3.39Å; A724-R727 PolarHBondContact O-N 3.36Å; R727-I729 VanDerWaalsContact C-N 3.32Å; R727-I729 PolarHBondContact O-N 3.16Å; R727-W730 WeakPolarHBondContact O-CB 3.4Å; R727-W730 PolarHBondContact O-N 3.12Å; R727-W730 VanDerWaalsContact O-N 3.15Å; R727-E731 WeakPolarHBondContact O-CG 3.33Å; R727-E731 PolarHBondContact O-N 3.4Å; R727-E832 IonicContact CZ-OE1 3.25Å; R727-E832 VanDerWaalsContact CZ-OE1 3.25Å; R727-E832 IonicContact NH1-OE1 2.76Å; R727-E832 PolarHBondContact NH1-OE1 2.78Å; R727-E832 IonicContact NH2-OE1 2.78Å; R727-E832 PolarHBondContact NH2-OE1 2.84Å
728	K	94.2	Very high	95.5	Very high	131 Å²	131	55.8 Å²	55.8	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-38.7	174.6	-71.9	176.6	-179.1	-177.3	0	112.3	A724 E725 A726 W730 E731 Q732	A724-K728 WeakPolarHBondContact O-CG 3.16Å; A724-K728 PolarHBondContact O-N 2.98Å; A724-K728 VanDerWaalsContact O-N 3.12Å; E725-K728 WeakPolarHBondContact O-CB 3.02Å; E725-K728 PolarHBondContact O-N 3Å; A726-K728 VanDerWaalsContact C-N 3.33Å; A726-K728 PolarHBondContact O-N 3.05Å; K728-W730 VanDerWaalsContact C-N 3.31Å; K728-W730 PolarHBondContact O-N 3Å; K728-E731 PolarHBondContact O-N 2.89Å; K728-Q732 WeakPolarHBondContact O-CB 3.3Å; K728-Q732 WeakPolarHBondContact O-CG 3.49Å; K728-Q732 PolarHBondContact O-N 2.81Å
729	I	97.9	Very high	95.5	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-44.3	174.3	-69.6	168.3	0	0	0	110.4	E725 A726 R727 Q732 K733 I763 L764 F778 A781	E725-I729 PolarHBondContact O-N 3.47Å; A726-I729 WeakPolarHBondContact O-CB 3.37Å; A726-I729 PolarHBondContact O-N 3.47Å; A726-I729 VanDerWaalsContact O-N 3.11Å; R727-I729 VanDerWaalsContact C-N 3.32Å; R727-I729 PolarHBondContact O-N 3.16Å; I729-Q732 PolarHBondContact O-N 2.78Å; I729-K733 WeakPolarHBondContact O-CB 3.41Å; I729-K733 PolarHBondContact O-N 3.22Å; I729-I763 HydrophobicContact CG1-CG2 4.12Å; I729-L764 HydrophobicContact CD1-CD2 4.34Å; I729-L764 HydrophobicContact CG1-CD2 4.45Å; I729-L764 HydrophobicContact CG2-CD2 3.68Å; I729-F778 HydrophobicContact CD1-CD2 4.21Å; I729-A781 HydrophobicContact CG2-CB 3.48Å; I729-A781 VanDerWaalsContact CG2-CB 3.48Å
730	W	97	Very high	95.6	Very high	18 Å²	18	54.6 Å²	54.6	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-42.8	175.6	171.1	94.7	0	0	0	112.7	A726 R727 K728 Q732 K733 N734 E777 D830 E832 Y833	A726-W730 PolarHBondContact O-N 3.16Å; R727-W730 WeakPolarHBondContact O-CB 3.4Å; R727-W730 PolarHBondContact O-N 3.12Å; R727-W730 VanDerWaalsContact O-N 3.15Å; K728-W730 VanDerWaalsContact C-N 3.31Å; K728-W730 PolarHBondContact O-N 3Å; W730-Q732 PolarHBondContact O-N 3.17Å; W730-K733 PolarHBondContact O-N 3.29Å; W730-N734 PolarHBondContact NE1-ND2 2.88Å; W730-N734 PolarHBondContact O-N 2.98Å; W730-N734 VanDerWaalsContact O-N 3.1Å; W730-N734 PolarHBondContact O-ND2 3.42Å; W730-E777 HydrophobicContact CB-CB 4.17Å; W730-E777 HydrophobicContact CB-CG 3.96Å; W730-D830 HydrophobicContact CZ2-CB 3.9Å; W730-D830 PolarHBondContact NE1-OD2 3.31Å; W730-E832 HydrophobicContact CH2-CB 4.24Å; W730-E832 HydrophobicContact CH2-CG 4.3Å; W730-E832 HydrophobicContact CZ2-CB 4Å; W730-E832 HydrophobicContact CZ2-CG 4.43Å; W730-Y833 HydrophobicContact CH2-CD2 4.19Å; W730-Y833 HydrophobicContact CH2-CG 4.46Å; W730-Y833 HydrophobicContact CZ3-CD2 4.05Å
731	E	94.8	Very high	95.9	Very high	73 Å²	73	46.8 Å²	46.8	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-46	175.5	-70.7	166.6	-176.9	0	0	111.3	R727 K728 N734 L735 Y833	R727-E731 WeakPolarHBondContact O-CG 3.33Å; R727-E731 PolarHBondContact O-N 3.4Å; K728-E731 PolarHBondContact O-N 2.89Å; E731-N734 PolarHBondContact O-N 3.26Å; E731-L735 PolarHBondContact O-N 3.02Å; E731-Y833 HydrophobicContact CB-CE2 4.28Å
732	Q	96.5	Very high	95.9	Very high	70 Å²	70	42.7 Å²	42.7	33%	0.327	21%	0.209	S	C	.	.	H	α-helix	trans	-69.1	-37.2	-179.2	-66.6	-62.5	-53	0	0	112.1	K728 I729 W730 L735 V736 L760 I763	K728-Q732 WeakPolarHBondContact O-CB 3.3Å; K728-Q732 WeakPolarHBondContact O-CG 3.49Å; K728-Q732 PolarHBondContact O-N 2.81Å; I729-Q732 PolarHBondContact O-N 2.78Å; W730-Q732 PolarHBondContact O-N 3.17Å; Q732-L735 PolarHBondContact O-N 2.76Å; Q732-V736 WeakPolarHBondContact O-CB 3.46Å; Q732-V736 WeakPolarHBondContact O-CG2 3.43Å; Q732-V736 PolarHBondContact O-N 2.71Å; Q732-L760 HydrophobicContact CB-CD1 4.47Å; Q732-I763 HydrophobicContact CB-CD1 4.04Å; Q732-I763 HydrophobicContact CG-CD1 3.88Å
733	K	97.9	Very high	95.9	Very high	12 Å²	12	43.1 Å²	43.1	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-55.9	-51.6	171.1	-179	-154.9	67.4	165	0	110.5	I729 W730 V736 I737 D780 A781 T784	I729-K733 WeakPolarHBondContact O-CB 3.41Å; I729-K733 PolarHBondContact O-N 3.22Å; W730-K733 PolarHBondContact O-N 3.29Å; K733-V736 PolarHBondContact O-N 3.11Å; K733-I737 HydrophobicContact CD-CD1 4.37Å; K733-I737 HydrophobicContact CG-CD1 4.1Å; K733-I737 VanDerWaalsContact O-CG1 3.3Å; K733-I737 WeakPolarHBondContact O-CG1 3.44Å; K733-I737 PolarHBondContact O-N 3.01Å; K733-D780 IonicContact NZ-OD2 3.34Å; K733-D780 PolarHBondContact NZ-OD2 3.29Å; K733-A781 HydrophobicContact CB-CB 4.07Å; K733-A781 HydrophobicContact CD-CB 4.34Å; K733-A781 HydrophobicContact CG-CB 4.17Å; K733-T784 HydrophobicContact CD-CG2 4.3Å; K733-T784 HydrophobicContact CG-CG2 3.91Å
734	N	97.3	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-40.9	-178.1	-78.2	-64.1	0	0	0	113.1	W730 E731 V736 I737 S738 I829 D830 Y833	W730-N734 PolarHBondContact NE1-ND2 2.88Å; W730-N734 PolarHBondContact O-N 2.98Å; W730-N734 VanDerWaalsContact O-N 3.1Å; W730-N734 PolarHBondContact O-ND2 3.42Å; E731-N734 PolarHBondContact O-N 3.26Å; N734-V736 VanDerWaalsContact C-N 3.34Å; N734-V736 PolarHBondContact O-N 2.83Å; N734-I737 PolarHBondContact O-N 2.84Å; N734-S738 PolarHBondContact O-N 2.59Å; N734-I829 HydrophobicContact CB-CG2 4.29Å; N734-D830 WeakPolarHBondContact OD1-CB 3.46Å; N734-D830 PolarHBondContact OD1-N 2.76Å; N734-Y833 HydrophobicContact CB-CD1 3.7Å; N734-Y833 HydrophobicContact CB-CD2 3.68Å; N734-Y833 HydrophobicContact CB-CE1 4.1Å; N734-Y833 HydrophobicContact CB-CE2 4.1Å; N734-Y833 HydrophobicContact CB-CG 3.46Å; N734-Y833 VanDerWaalsContact CB-CG 3.46Å
735	L	93.9	Very high	95.9	Very high	48 Å²	48	37.8 Å²	37.8	25%	0.251	18%	0.182	S	C	.	.	H	α-helix	trans	-57.9	-47.6	172.6	178.9	61.4	0	0	0	111.2	E731 Q732 S738 E739	E731-L735 PolarHBondContact O-N 3.02Å; Q732-L735 PolarHBondContact O-N 2.76Å; L735-S738 WeakPolarHBondContact O-CB 3.18Å; L735-S738 PolarHBondContact O-N 3.46Å; L735-S738 VanDerWaalsContact O-N 3.17Å; L735-E739 HydrophobicContact CD1-CG 4.12Å; L735-E739 HydrophobicContact CG-CG 4.46Å; L735-E739 PolarHBondContact O-N 3.38Å
736	V	98	Very high	95.6	Very high	4 Å²	4	40 Å²	40	2%	0.024	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-39.2	-179.7	169.9	0	0	0	0	111.4	Q732 K733 N734 S738 V740 R756 L757 L760 M788	Q732-V736 WeakPolarHBondContact O-CB 3.46Å; Q732-V736 WeakPolarHBondContact O-CG2 3.43Å; Q732-V736 PolarHBondContact O-N 2.71Å; K733-V736 PolarHBondContact O-N 3.11Å; N734-V736 VanDerWaalsContact C-N 3.34Å; N734-V736 PolarHBondContact O-N 2.83Å; V736-S738 VanDerWaalsContact C-N 3.3Å; V736-S738 PolarHBondContact O-N 2.93Å; V736-V740 HydrophobicContact CG1-CG2 3.88Å; V736-V740 VanDerWaalsContact O-CB 3.25Å; V736-V740 WeakPolarHBondContact O-CB 3.5Å; V736-V740 VanDerWaalsContact O-CG2 3.22Å; V736-V740 WeakPolarHBondContact O-CG2 3.2Å; V736-V740 PolarHBondContact O-N 3.48Å; V736-R756 HydrophobicContact CG1-CB 4.36Å; V736-R756 HydrophobicContact CG2-CB 4.44Å; V736-L757 HydrophobicContact CG1-CD2 3.87Å; V736-L760 HydrophobicContact CB-CD2 4.4Å; V736-L760 HydrophobicContact CG1-CB 4.46Å; V736-L760 HydrophobicContact CG1-CD2 4.14Å; V736-L760 HydrophobicContact CG2-CB 4.22Å; V736-M788 HydrophobicContact CG1-CE 4.16Å
737	I	98.3	Very high	95.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-55.7	-49.1	171.1	-68.3	168.1	0	0	0	109.7	K733 N734 T741 T784 M788 P827 I829	K733-I737 HydrophobicContact CD-CD1 4.37Å; K733-I737 HydrophobicContact CG-CD1 4.1Å; K733-I737 VanDerWaalsContact O-CG1 3.3Å; K733-I737 WeakPolarHBondContact O-CG1 3.44Å; K733-I737 PolarHBondContact O-N 3.01Å; N734-I737 PolarHBondContact O-N 2.84Å; I737-T741 WeakPolarHBondContact O-CB 3.39Å; I737-T741 PolarHBondContact O-N 3.35Å; I737-T741 PolarHBondContact O-OG1 2.92Å; I737-T784 HydrophobicContact CD1-CG2 3.83Å; I737-T784 HydrophobicContact CG1-CG2 3.81Å; I737-M788 HydrophobicContact CG1-CE 4.47Å; I737-M788 HydrophobicContact CG1-SD 3.91Å; I737-P827 HydrophobicContact CD1-CB 3.82Å; I737-P827 HydrophobicContact CG1-CB 4Å; I737-P827 HydrophobicContact CG2-CB 4.4Å; I737-P827 WeakPolarHBondContact CG2-O 3.43Å; I737-I829 HydrophobicContact CB-CG1 4.46Å; I737-I829 HydrophobicContact CG2-CG1 3.93Å
738	S	95.6	Very high	95	Very high	44 Å²	44	39.3 Å²	39.3	31%	0.308	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-57.4	179.3	-167.8	0	0	0	0	112.1	N734 L735 V736 T741 E742	N734-S738 PolarHBondContact O-N 2.59Å; L735-S738 WeakPolarHBondContact O-CB 3.18Å; L735-S738 PolarHBondContact O-N 3.46Å; L735-S738 VanDerWaalsContact O-N 3.17Å; V736-S738 VanDerWaalsContact C-N 3.3Å; V736-S738 PolarHBondContact O-N 2.93Å; S738-T741 PolarHBondContact O-N 3.01Å; S738-E742 PolarHBondContact O-N 2.91Å
739	E	94.7	Very high	94.9	Very high	42 Å²	42	36 Å²	36	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-46.4	-174.9	-69.6	-177.4	153.5	0	0	111.8	L735 T741 E742 Y743 R756	L735-E739 HydrophobicContact CD1-CG 4.12Å; L735-E739 HydrophobicContact CG-CG 4.46Å; L735-E739 PolarHBondContact O-N 3.38Å; E739-T741 PolarHBondContact O-N 3.49Å; E739-E742 PolarHBondContact O-N 2.94Å; E739-Y743 HydrophobicContact CB-CE2 4.14Å; E739-Y743 WeakPolarHBondContact O-CD2 3.32Å; E739-Y743 VanDerWaalsContact O-CG 3.26Å; E739-Y743 PolarHBondContact O-N 2.9Å; E739-R756 HydrophobicContact CB-CG 4.42Å; E739-R756 IonicContact OE1-CZ 2.75Å; E739-R756 IonicContact OE1-NH1 2.66Å; E739-R756 PolarHBondContact OE1-NH1 3.48Å; E739-R756 VanDerWaalsContact OE1-NH1 3.1Å; E739-R756 WeakPolarHBondContact OE2-CD 3.41Å; E739-R756 WeakPolarHBondContact OE2-CG 3.42Å; E739-R756 IonicContact OE2-CZ 3.77Å; E739-R756 IonicContact OE2-NE 2.85Å; E739-R756 PolarHBondContact OE2-NE 3.43Å; E739-R756 IonicContact OE2-NH1 3.17Å; E739-R756 PolarHBondContact OE2-NH1 2.72Å
740	V	98.1	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-37.6	-179.6	174.5	0	0	0	0	111.3	V736 E742 Y743 F744 A753 R756 L757 M788 W826	V736-V740 HydrophobicContact CG1-CG2 3.88Å; V736-V740 VanDerWaalsContact O-CB 3.25Å; V736-V740 WeakPolarHBondContact O-CB 3.5Å; V736-V740 VanDerWaalsContact O-CG2 3.22Å; V736-V740 WeakPolarHBondContact O-CG2 3.2Å; V736-V740 PolarHBondContact O-N 3.48Å; V740-E742 VanDerWaalsContact C-N 3.31Å; V740-E742 PolarHBondContact O-N 3.37Å; V740-Y743 PolarHBondContact O-N 3.3Å; V740-F744 HydrophobicContact CG1-CD2 3.83Å; V740-F744 HydrophobicContact CG1-CE2 4.06Å; V740-F744 WeakPolarHBondContact O-CD2 3.4Å; V740-F744 PolarHBondContact O-N 3.36Å; V740-A753 HydrophobicContact CG1-CB 3.99Å; V740-A753 HydrophobicContact CG2-CB 4.37Å; V740-R756 HydrophobicContact CG2-CB 3.91Å; V740-L757 HydrophobicContact CG2-CD2 4.1Å; V740-L757 HydrophobicContact CG2-CG 4.17Å; V740-M788 HydrophobicContact CB-CE 3.32Å; V740-M788 HydrophobicContact CG1-CE 3.52Å; V740-M788 HydrophobicContact CG2-CE 3.74Å; V740-W826 HydrophobicContact CG1-CH2 4.33Å; V740-W826 HydrophobicContact CG1-CZ2 4.06Å
741	T	97.7	Very high	94.8	Very high	31 Å²	31	36.4 Å²	36.4	19%	0.19	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-41.5	175.6	-57.5	0	0	0	0	110.7	F114 I737 S738 E739 F744 A745 W826	F114-T741 HydrophobicContact CZ-CG2 4.33Å; I737-T741 WeakPolarHBondContact O-CB 3.39Å; I737-T741 PolarHBondContact O-N 3.35Å; I737-T741 PolarHBondContact O-OG1 2.92Å; S738-T741 PolarHBondContact O-N 3.01Å; E739-T741 PolarHBondContact O-N 3.49Å; T741-F744 PolarHBondContact O-N 3.36Å; T741-A745 WeakPolarHBondContact O-CB 3.16Å; T741-A745 PolarHBondContact O-N 3.39Å; T741-W826 PolarHBondContact OG1-NE1 3.48Å
742	E	93.8	Very high	94.8	Very high	81 Å²	81	33.9 Å²	33.9	38%	0.379	18%	0.177	S	C	.	.	H	α-helix	trans	-64.1	-46.7	175.9	-177.5	148.8	-127.6	0	0	111.8	S738 E739 V740 F744 A745 K746 D747	S738-E742 PolarHBondContact O-N 2.91Å; E739-E742 PolarHBondContact O-N 2.94Å; V740-E742 VanDerWaalsContact C-N 3.31Å; V740-E742 PolarHBondContact O-N 3.37Å; E742-F744 VanDerWaalsContact C-N 3.29Å; E742-F744 PolarHBondContact O-N 2.9Å; E742-A745 PolarHBondContact O-N 3.38Å; E742-K746 HydrophobicContact CG-CD 4.19Å; E742-K746 PolarHBondContact O-N 3.34Å; E742-K746 IonicContact OE1-NZ 2.6Å; E742-K746 PolarHBondContact OE1-NZ 2.97Å; E742-D747 PolarHBondContact O-N 2.91Å
743	Y	95.6	Very high	94.8	Very high	44 Å²	44	30.5 Å²	30.5	17%	0.173	16%	0.161	C	C	.	.	I	π-helix	trans	-61	-33.8	176.2	-66.1	-36.7	0	0	0	113.5	E739 V740 D747 H748 L749 A752 A753 R756	E739-Y743 HydrophobicContact CB-CE2 4.14Å; E739-Y743 WeakPolarHBondContact O-CD2 3.32Å; E739-Y743 VanDerWaalsContact O-CG 3.26Å; E739-Y743 PolarHBondContact O-N 2.9Å; V740-Y743 PolarHBondContact O-N 3.3Å; Y743-D747 HydrophobicContact CD1-CB 4.41Å; Y743-D747 WeakPolarHBondContact CD1-OD2 3.32Å; Y743-H748 CarbonylContact O-C 3.53Å; Y743-H748 WeakPolarHBondContact O-CA 3.2Å; Y743-H748 PolarHBondContact O-N 3.26Å; Y743-L749 HydrophobicContact CD1-CB 3.96Å; Y743-L749 HydrophobicContact CD1-CD1 4.15Å; Y743-L749 HydrophobicContact CE1-CD1 4.24Å; Y743-L749 HydrophobicContact CG-CB 4.27Å; Y743-L749 PolarHBondContact O-N 3.43Å; Y743-L749 VanDerWaalsContact O-N 3.08Å; Y743-A752 HydrophobicContact CD1-CB 4.35Å; Y743-A752 HydrophobicContact CD2-CB 3.89Å; Y743-A752 HydrophobicContact CE1-CB 4.15Å; Y743-A752 HydrophobicContact CE2-CB 3.64Å; Y743-A752 HydrophobicContact CG-CB 4.24Å; Y743-A753 HydrophobicContact CD2-CB 4.25Å; Y743-R756 HydrophobicContact CE2-CG 4.04Å
744	F	95.5	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-80.2	-39.8	175.7	-94.8	-95.4	0	0	0	113.3	A110 F114 V740 T741 E742 F750 A753 P791 M792	A110-F744 HydrophobicContact CB-CE1 4.48Å; F114-F744 HydrophobicContact CB-CD1 3.61Å; F114-F744 HydrophobicContact CB-CE1 3.97Å; F114-F744 HydrophobicContact CB-CG 4.47Å; F114-F744 HydrophobicContact CD1-CB 3.79Å; F114-F744 AromaticContact CD1-CD1 3.94Å; F114-F744 HydrophobicContact CD1-CD1 3.94Å; F114-F744 HydrophobicContact CD1-CG 4.28Å; F114-F744 HydrophobicContact CD2-CB 3.83Å; F114-F744 AromaticContact CD2-CD1 3.94Å; F114-F744 HydrophobicContact CD2-CD1 3.94Å; F114-F744 AromaticContact CD2-CG 3.95Å; F114-F744 HydrophobicContact CD2-CG 3.95Å; F114-F744 HydrophobicContact CE1-CB 3.58Å; F114-F744 HydrophobicContact CE2-CB 3.61Å; F114-F744 HydrophobicContact CE2-CG 4.18Å; F114-F744 HydrophobicContact CG-CB 3.9Å; F114-F744 AromaticContact CG-CD1 3.56Å; F114-F744 HydrophobicContact CG-CD1 3.56Å; F114-F744 HydrophobicContact CG-CE1 4.36Å; F114-F744 AromaticContact CG-CG 3.98Å; F114-F744 HydrophobicContact CG-CG 3.98Å; F114-F744 HydrophobicContact CZ-CB 3.45Å; F114-F744 VanDerWaalsContact CZ-CB 3.45Å; F114-F744 HydrophobicContact CZ-CG 4.44Å; V740-F744 HydrophobicContact CG1-CD2 3.83Å; V740-F744 HydrophobicContact CG1-CE2 4.06Å; V740-F744 WeakPolarHBondContact O-CD2 3.4Å; V740-F744 PolarHBondContact O-N 3.36Å; T741-F744 PolarHBondContact O-N 3.36Å; E742-F744 VanDerWaalsContact C-N 3.29Å; E742-F744 PolarHBondContact O-N 2.9Å; F744-F750 HydrophobicContact CD1-CD1 4.16Å; F744-F750 AromaticContact CD1-CE1 3.83Å; F744-F750 HydrophobicContact CD1-CE1 3.83Å; F744-F750 AromaticContact CE1-CD1 3.8Å; F744-F750 HydrophobicContact CE1-CD1 3.8Å; F744-F750 AromaticContact CE1-CE1 3.76Å; F744-F750 HydrophobicContact CE1-CE1 3.76Å; F744-F750 HydrophobicContact CE2-CD1 4.21Å; F744-F750 HydrophobicContact CG-CE1 4.41Å; F744-F750 AromaticContact CZ-CD1 3.82Å; F744-F750 HydrophobicContact CZ-CD1 3.82Å; F744-F750 HydrophobicContact CZ-CE1 4.27Å; F744-A753 HydrophobicContact CD2-CB 4.1Å; F744-A753 HydrophobicContact CE2-CB 3.86Å; F744-P791 HydrophobicContact CE1-CB 4.31Å; F744-M792 HydrophobicContact CE2-CE 4.19Å; F744-M792 HydrophobicContact CE2-SD 4Å; F744-M792 HydrophobicContact CZ-CE 4.14Å; F744-M792 HydrophobicContact CZ-CG 3.77Å; F744-M792 HydrophobicContact CZ-SD 3.74Å
745	A	92.2	Very high	94.8	Very high	30 Å²	30	32.1 Å²	32.1	25%	0.248	17%	0.174	C	C	.	.	I	π-helix	trans	-86.4	-25.8	-171	0	0	0	0	0	114.1	F114 T741 E742	F114-A745 HydrophobicContact CE1-CB 4.08Å; F114-A745 HydrophobicContact CZ-CB 4.05Å; T741-A745 WeakPolarHBondContact O-CB 3.16Å; T741-A745 PolarHBondContact O-N 3.39Å; E742-A745 PolarHBondContact O-N 3.38Å
746	K	87.4	Confident	95	Very high	109 Å²	109	34.2 Å²	34.2	47%	0.474	18%	0.178	S	C	.	.	I	π-helix	trans	-120.2	-62	-175.4	-59.6	-173.1	-167.7	163	0	111.9	E742 H748	E742-K746 HydrophobicContact CG-CD 4.19Å; E742-K746 PolarHBondContact O-N 3.34Å; E742-K746 IonicContact OE1-NZ 2.6Å; E742-K746 PolarHBondContact OE1-NZ 2.97Å; K746-H748 PolarHBondContact O-CE1 3.4Å; K746-H748 PolarHBondContact O-ND1 3.25Å; K746-H748 VanDerWaalsContact O-ND1 3.13Å
747	D	85.8	Confident	95	Very high	74 Å²	74	34 Å²	34	40%	0.396	18%	0.177	S	C	.	.	I	π-helix	trans	-85.7	-18.6	-165.1	-48.6	-38.1	0	0	0	113.3	E742 Y743 L749	E742-D747 PolarHBondContact O-N 2.91Å; Y743-D747 HydrophobicContact CD1-CB 4.41Å; Y743-D747 WeakPolarHBondContact CD1-OD2 3.32Å; D747-L749 HydrophobicContact CB-CB 4.28Å; D747-L749 HydrophobicContact CB-CD1 3.8Å; D747-L749 HydrophobicContact CB-CG 3.72Å; D747-L749 PolarHBondContact O-N 3.21Å
748	H	92.8	Very high	95.1	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.046	18%	0.183	C	C	.	.			trans	54.4	27.7	-170.3	-52.1	91.9	0	0	0	113.8	L556 L594 P673 Y743 K746 F750	L556-H748 WeakPolarHBondContact CD2-NE2 3.25Å; L594-H748 HydrophobicContact CD1-CB 4.22Å; L594-H748 HydrophobicContact CD2-CB 4.06Å; P673-H748 WeakPolarHBondContact CG-O 3.4Å; Y743-H748 CarbonylContact O-C 3.53Å; Y743-H748 WeakPolarHBondContact O-CA 3.2Å; Y743-H748 PolarHBondContact O-N 3.26Å; K746-H748 PolarHBondContact O-CE1 3.4Å; K746-H748 PolarHBondContact O-ND1 3.25Å; K746-H748 VanDerWaalsContact O-ND1 3.13Å; H748-F750 HydrophobicContact CB-CE2 4.14Å; H748-F750 HydrophobicContact CB-CZ 3.97Å; H748-F750 VanDerWaalsContact O-CD2 3.22Å; H748-F750 WeakPolarHBondContact O-CD2 3.31Å; H748-F750 WeakPolarHBondContact O-CE2 3.22Å; H748-F750 PolarHBondContact O-N 3.49Å
749	L	93.4	Very high	95.1	Very high	60 Å²	60	36 Å²	36	31%	0.314	19%	0.188	S	C	.	.			trans	-84.1	72.2	-178.2	-67.8	174.7	0	0	0	112.5	P672 Y743 D747 N751 A752 A753	P672-L749 HydrophobicContact CB-CD2 4.36Å; Y743-L749 HydrophobicContact CD1-CB 3.96Å; Y743-L749 HydrophobicContact CD1-CD1 4.15Å; Y743-L749 HydrophobicContact CE1-CD1 4.24Å; Y743-L749 HydrophobicContact CG-CB 4.27Å; Y743-L749 PolarHBondContact O-N 3.43Å; Y743-L749 VanDerWaalsContact O-N 3.08Å; D747-L749 HydrophobicContact CB-CB 4.28Å; D747-L749 HydrophobicContact CB-CD1 3.8Å; D747-L749 HydrophobicContact CB-CG 3.72Å; D747-L749 PolarHBondContact O-N 3.21Å; L749-N751 VanDerWaalsContact C-N 3.29Å; L749-N751 PolarHBondContact O-N 3.37Å; L749-A752 HydrophobicContact CB-CB 3.97Å; L749-A752 WeakPolarHBondContact O-CB 3.37Å; L749-A752 PolarHBondContact O-N 2.93Å; L749-A752 VanDerWaalsContact O-N 3.13Å; L749-A753 PolarHBondContact O-N 3.44Å
750	F	96	Very high	95.3	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-31.9	-176	-48.7	-69.3	0	0	0	114	I107 V111 L594 L668 P673 F744 H748 A752 A753 I754	I107-F750 HydrophobicContact CB-CE2 4.33Å; I107-F750 HydrophobicContact CG1-CD2 4.36Å; I107-F750 HydrophobicContact CG1-CE2 4.15Å; I107-F750 HydrophobicContact CG2-CD2 4.47Å; I107-F750 HydrophobicContact CG2-CE2 3.5Å; I107-F750 VanDerWaalsContact CG2-CE2 3.5Å; I107-F750 HydrophobicContact CG2-CZ 3.88Å; V111-F750 HydrophobicContact CG2-CE1 3.87Å; V111-F750 HydrophobicContact CG2-CZ 3.55Å; L594-F750 HydrophobicContact CD2-CE2 4.47Å; L668-F750 HydrophobicContact CB-CB 4.02Å; L668-F750 HydrophobicContact CD2-CB 4.06Å; L668-F750 HydrophobicContact CD2-CD2 3.9Å; L668-F750 HydrophobicContact CD2-CG 3.94Å; L668-F750 CarbonylContact O-C 3.54Å; P673-F750 HydrophobicContact CG-CD2 3.67Å; P673-F750 HydrophobicContact CG-CE2 3.84Å; F744-F750 HydrophobicContact CD1-CD1 4.16Å; F744-F750 AromaticContact CD1-CE1 3.83Å; F744-F750 HydrophobicContact CD1-CE1 3.83Å; F744-F750 AromaticContact CE1-CD1 3.8Å; F744-F750 HydrophobicContact CE1-CD1 3.8Å; F744-F750 AromaticContact CE1-CE1 3.76Å; F744-F750 HydrophobicContact CE1-CE1 3.76Å; F744-F750 HydrophobicContact CE2-CD1 4.21Å; F744-F750 HydrophobicContact CG-CE1 4.41Å; F744-F750 AromaticContact CZ-CD1 3.82Å; F744-F750 HydrophobicContact CZ-CD1 3.82Å; F744-F750 HydrophobicContact CZ-CE1 4.27Å; H748-F750 HydrophobicContact CB-CE2 4.14Å; H748-F750 HydrophobicContact CB-CZ 3.97Å; H748-F750 VanDerWaalsContact O-CD2 3.22Å; H748-F750 WeakPolarHBondContact O-CD2 3.31Å; H748-F750 WeakPolarHBondContact O-CE2 3.22Å; H748-F750 PolarHBondContact O-N 3.49Å; F750-A752 VanDerWaalsContact C-N 3.34Å; F750-A753 WeakPolarHBondContact O-CB 3.32Å; F750-A753 PolarHBondContact O-N 3.04Å; F750-I754 WeakPolarHBondContact O-CG1 3.26Å; F750-I754 PolarHBondContact O-N 3.24Å
751	N	94.8	Very high	95.3	Very high	30 Å²	30	34 Å²	34	16%	0.16	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-38.6	176.5	65	-55.5	0	0	0	111.6	L668 F669 P672 L749 S755	L668-N751 VanDerWaalsContact O-CA 3.3Å; L668-N751 WeakPolarHBondContact O-CA 3.48Å; L668-N751 PolarHBondContact O-N 3.47Å; F669-N751 WeakPolarHBondContact O-CB 3.22Å; P672-N751 WeakPolarHBondContact CA-OD1 3.25Å; L749-N751 VanDerWaalsContact C-N 3.29Å; L749-N751 PolarHBondContact O-N 3.37Å; N751-S755 WeakPolarHBondContact O-CB 3.43Å; N751-S755 PolarHBondContact O-N 2.77Å; N751-S755 PolarHBondContact O-OG 3.49Å
752	A	95	Very high	95.3	Very high	19 Å²	19	35.4 Å²	35.4	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-69.2	-42.6	174.1	0	0	0	0	0	110.8	Y743 L749 F750 I754 S755 R756	Y743-A752 HydrophobicContact CD1-CB 4.35Å; Y743-A752 HydrophobicContact CD2-CB 3.89Å; Y743-A752 HydrophobicContact CE1-CB 4.15Å; Y743-A752 HydrophobicContact CE2-CB 3.64Å; Y743-A752 HydrophobicContact CG-CB 4.24Å; L749-A752 HydrophobicContact CB-CB 3.97Å; L749-A752 WeakPolarHBondContact O-CB 3.37Å; L749-A752 PolarHBondContact O-N 2.93Å; L749-A752 VanDerWaalsContact O-N 3.13Å; F750-A752 VanDerWaalsContact C-N 3.34Å; A752-I754 PolarHBondContact O-N 2.64Å; A752-S755 WeakPolarHBondContact O-CB 3.15Å; A752-S755 PolarHBondContact O-N 3.11Å; A752-S755 VanDerWaalsContact O-N 3.16Å; A752-R756 WeakPolarHBondContact O-CG 3.42Å; A752-R756 PolarHBondContact O-N 3.37Å
753	A	97.8	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56	-50.5	173.7	0	0	0	0	0	112.3	V740 Y743 F744 L749 F750 S755 R756 L757	V740-A753 HydrophobicContact CG1-CB 3.99Å; V740-A753 HydrophobicContact CG2-CB 4.37Å; Y743-A753 HydrophobicContact CD2-CB 4.25Å; F744-A753 HydrophobicContact CD2-CB 4.1Å; F744-A753 HydrophobicContact CE2-CB 3.86Å; L749-A753 PolarHBondContact O-N 3.44Å; F750-A753 WeakPolarHBondContact O-CB 3.32Å; F750-A753 PolarHBondContact O-N 3.04Å; A753-S755 VanDerWaalsContact C-N 3.29Å; A753-S755 PolarHBondContact O-N 3Å; A753-R756 PolarHBondContact O-N 3.16Å; A753-R756 VanDerWaalsContact O-N 3.11Å; A753-L757 WeakPolarHBondContact O-CG 3.36Å; A753-L757 PolarHBondContact O-N 2.93Å
754	I	98.1	Very high	95.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-40.5	176.6	-70	169.8	0	0	0	110.8	L665 L668 F669 W692 F750 A752 R756 L757 M758 M792	L665-I754 HydrophobicContact CD2-CD1 4.12Å; L668-I754 HydrophobicContact CB-CD1 3.7Å; F669-I754 HydrophobicContact CB-CD1 3.85Å; F669-I754 HydrophobicContact CB-CG2 4.22Å; F669-I754 HydrophobicContact CD2-CB 3.91Å; F669-I754 HydrophobicContact CD2-CG2 3.5Å; F669-I754 HydrophobicContact CE2-CG2 4.11Å; F669-I754 HydrophobicContact CG-CG2 4.01Å; W692-I754 HydrophobicContact CE3-CG2 4.26Å; W692-I754 HydrophobicContact CH2-CG2 4.14Å; W692-I754 HydrophobicContact CZ3-CG2 3.8Å; F750-I754 WeakPolarHBondContact O-CG1 3.26Å; F750-I754 PolarHBondContact O-N 3.24Å; A752-I754 PolarHBondContact O-N 2.64Å; I754-R756 VanDerWaalsContact C-N 3.29Å; I754-R756 PolarHBondContact O-N 2.97Å; I754-L757 PolarHBondContact O-N 3.07Å; I754-M758 HydrophobicContact CG2-CE 3.62Å; I754-M758 HydrophobicContact CG2-CG 4.31Å; I754-M758 HydrophobicContact CG2-SD 4.24Å; I754-M758 WeakPolarHBondContact O-CB 3.28Å; I754-M758 WeakPolarHBondContact O-CG 3.38Å; I754-M758 PolarHBondContact O-N 3.44Å; I754-M792 HydrophobicContact CD1-SD 4Å; I754-M792 HydrophobicContact CG1-SD 3.51Å; I754-M792 VanDerWaalsContact CG1-SD 3.51Å
755	S	97.2	Very high	95.7	Very high	45 Å²	45	36.9 Å²	36.9	32%	0.315	19%	0.191	S	C	.	.	H	α-helix	trans	-59.8	-38	176.2	-60	0	0	0	0	112.4	N751 A752 A753 M758 S759	N751-S755 WeakPolarHBondContact O-CB 3.43Å; N751-S755 PolarHBondContact O-N 2.77Å; N751-S755 PolarHBondContact O-OG 3.49Å; A752-S755 WeakPolarHBondContact O-CB 3.15Å; A752-S755 PolarHBondContact O-N 3.11Å; A752-S755 VanDerWaalsContact O-N 3.16Å; A753-S755 VanDerWaalsContact C-N 3.29Å; A753-S755 PolarHBondContact O-N 3Å; S755-M758 WeakPolarHBondContact O-CB 3.44Å; S755-M758 PolarHBondContact O-N 3.35Å; S755-S759 PolarHBondContact O-N 2.78Å; S755-S759 PolarHBondContact O-OG 3.06Å
756	R	97.9	Very high	95.9	Very high	91 Å²	91	42.8 Å²	42.8	34%	0.343	21%	0.214	S	C	.	.	H	α-helix	trans	-70.6	-39.3	175.6	-62.8	-53.6	164.5	146.3	-20.1	113.4	V736 E739 V740 Y743 A752 A753 I754 M758 S759 L760	V736-R756 HydrophobicContact CG1-CB 4.36Å; V736-R756 HydrophobicContact CG2-CB 4.44Å; E739-R756 HydrophobicContact CB-CG 4.42Å; E739-R756 IonicContact OE1-CZ 2.75Å; E739-R756 IonicContact OE1-NH1 2.66Å; E739-R756 PolarHBondContact OE1-NH1 3.48Å; E739-R756 VanDerWaalsContact OE1-NH1 3.1Å; E739-R756 WeakPolarHBondContact OE2-CD 3.41Å; E739-R756 WeakPolarHBondContact OE2-CG 3.42Å; E739-R756 IonicContact OE2-CZ 3.77Å; E739-R756 IonicContact OE2-NE 2.85Å; E739-R756 PolarHBondContact OE2-NE 3.43Å; E739-R756 IonicContact OE2-NH1 3.17Å; E739-R756 PolarHBondContact OE2-NH1 2.72Å; V740-R756 HydrophobicContact CG2-CB 3.91Å; Y743-R756 HydrophobicContact CE2-CG 4.04Å; A752-R756 WeakPolarHBondContact O-CG 3.42Å; A752-R756 PolarHBondContact O-N 3.37Å; A753-R756 PolarHBondContact O-N 3.16Å; A753-R756 VanDerWaalsContact O-N 3.11Å; I754-R756 VanDerWaalsContact C-N 3.29Å; I754-R756 PolarHBondContact O-N 2.97Å; R756-M758 VanDerWaalsContact C-N 3.32Å; R756-M758 PolarHBondContact O-N 3.15Å; R756-S759 WeakPolarHBondContact O-CB 3.45Å; R756-S759 PolarHBondContact O-N 2.91Å; R756-L760 PolarHBondContact O-N 3.15Å
757	L	98.6	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-36.3	172.8	-60.5	174.9	0	0	0	111.8	W692 V736 V740 A753 I754 L760 S761 L785 M788 V789 M792	W692-L757 HydrophobicContact CH2-CB 4.02Å; W692-L757 HydrophobicContact CH2-CD1 4.47Å; W692-L757 HydrophobicContact CZ2-CB 3.68Å; V736-L757 HydrophobicContact CG1-CD2 3.87Å; V740-L757 HydrophobicContact CG2-CD2 4.1Å; V740-L757 HydrophobicContact CG2-CG 4.17Å; A753-L757 WeakPolarHBondContact O-CG 3.36Å; A753-L757 PolarHBondContact O-N 2.93Å; I754-L757 PolarHBondContact O-N 3.07Å; L757-L760 PolarHBondContact O-N 3.41Å; L757-S761 WeakPolarHBondContact O-CB 3.46Å; L757-S761 PolarHBondContact O-N 3.07Å; L757-S761 PolarHBondContact O-OG 2.82Å; L757-L785 HydrophobicContact CB-CD1 3.85Å; L757-L785 HydrophobicContact CD2-CD1 3.82Å; L757-L785 HydrophobicContact CG-CD1 4.37Å; L757-M788 HydrophobicContact CD1-CB 4.41Å; L757-M788 HydrophobicContact CD2-CB 3.73Å; L757-M788 HydrophobicContact CD2-CE 4.01Å; L757-M788 HydrophobicContact CD2-SD 4.16Å; L757-V789 HydrophobicContact CD1-CG2 4.08Å; L757-M792 HydrophobicContact CD1-CE 3.34Å
758	M	98.4	Very high	96.8	Very high	28 Å²	28	36.5 Å²	36.5	14%	0.138	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-44.9	171.3	-74.8	-178	179.5	0	0	111.5	F669 W692 I754 S755 R756 S761 N762	F669-M758 HydrophobicContact CD1-CE 4.39Å; F669-M758 HydrophobicContact CD2-CE 4.41Å; F669-M758 HydrophobicContact CE1-CE 4.15Å; F669-M758 HydrophobicContact CE2-CE 4.16Å; F669-M758 HydrophobicContact CE2-SD 4.07Å; F669-M758 HydrophobicContact CZ-CE 4.03Å; F669-M758 HydrophobicContact CZ-SD 3.98Å; W692-M758 HydrophobicContact CB-CE 3.88Å; W692-M758 HydrophobicContact CD2-CE 3.74Å; W692-M758 HydrophobicContact CD2-CG 3.62Å; W692-M758 HydrophobicContact CE3-CE 3.7Å; W692-M758 HydrophobicContact CE3-CG 4.29Å; W692-M758 HydrophobicContact CG-CE 3.83Å; W692-M758 HydrophobicContact CG-CG 3.71Å; W692-M758 HydrophobicContact CG-SD 4.45Å; W692-M758 HydrophobicContact CZ2-CG 4.13Å; W692-M758 HydrophobicContact CZ3-CE 4.48Å; I754-M758 HydrophobicContact CG2-CE 3.62Å; I754-M758 HydrophobicContact CG2-CG 4.31Å; I754-M758 HydrophobicContact CG2-SD 4.24Å; I754-M758 WeakPolarHBondContact O-CB 3.28Å; I754-M758 WeakPolarHBondContact O-CG 3.38Å; I754-M758 PolarHBondContact O-N 3.44Å; S755-M758 WeakPolarHBondContact O-CB 3.44Å; S755-M758 PolarHBondContact O-N 3.35Å; R756-M758 VanDerWaalsContact C-N 3.32Å; R756-M758 PolarHBondContact O-N 3.15Å; M758-S761 WeakPolarHBondContact CA-OG 3Å; M758-S761 PolarHBondContact O-N 3.49Å; M758-S761 PolarHBondContact O-OG 2.74Å; M758-N762 VanDerWaalsContact O-CG 3.3Å; M758-N762 PolarHBondContact O-N 3.36Å; M758-N762 PolarHBondContact O-ND2 3.02Å
759	S	97.4	Very high	97	Very high	59 Å²	59	41.1 Å²	41.1	41%	0.413	21%	0.212	S	C	.	.	H	α-helix	trans	-60.2	-46.4	175.4	-67.1	0	0	0	0	112.6	S755 R756 S761 N762 I763	S755-S759 PolarHBondContact O-N 2.78Å; S755-S759 PolarHBondContact O-OG 3.06Å; R756-S759 WeakPolarHBondContact O-CB 3.45Å; R756-S759 PolarHBondContact O-N 2.91Å; S759-S761 VanDerWaalsContact C-N 3.35Å; S759-S761 PolarHBondContact O-N 3.36Å; S759-N762 WeakPolarHBondContact O-CB 3.49Å; S759-N762 PolarHBondContact O-N 3.28Å; S759-I763 WeakPolarHBondContact O-CG1 3.38Å; S759-I763 PolarHBondContact O-N 2.99Å; S759-I763 VanDerWaalsContact O-N 3.12Å
760	L	98.4	Very high	97	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-46.1	174.9	-175.6	56.7	0	0	0	111.3	Q732 V736 R756 L757 N762 I763 L764 L785	Q732-L760 HydrophobicContact CB-CD1 4.47Å; V736-L760 HydrophobicContact CB-CD2 4.4Å; V736-L760 HydrophobicContact CG1-CB 4.46Å; V736-L760 HydrophobicContact CG1-CD2 4.14Å; V736-L760 HydrophobicContact CG2-CB 4.22Å; R756-L760 PolarHBondContact O-N 3.15Å; L757-L760 PolarHBondContact O-N 3.41Å; L760-N762 VanDerWaalsContact C-N 3.25Å; L760-N762 PolarHBondContact O-N 3.09Å; L760-I763 PolarHBondContact O-N 3.44Å; L760-L764 HydrophobicContact CD1-CG 4.48Å; L760-L764 HydrophobicContact CG-CD1 4.31Å; L760-L764 WeakPolarHBondContact O-CG 3.44Å; L760-L764 PolarHBondContact O-N 2.83Å; L760-L785 HydrophobicContact CD2-CB 4.18Å; L760-L785 HydrophobicContact CD2-CD1 4.4Å
761	S	98.4	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-33.1	178	77.5	0	0	0	0	112.8	W692 L757 M758 S759 Y765	W692-S761 PolarHBondContact NE1-OG 3.08Å; L757-S761 WeakPolarHBondContact O-CB 3.46Å; L757-S761 PolarHBondContact O-N 3.07Å; L757-S761 PolarHBondContact O-OG 2.82Å; M758-S761 WeakPolarHBondContact CA-OG 3Å; M758-S761 PolarHBondContact O-N 3.49Å; M758-S761 PolarHBondContact O-OG 2.74Å; S759-S761 VanDerWaalsContact C-N 3.35Å; S759-S761 PolarHBondContact O-N 3.36Å; S761-Y765 VanDerWaalsContact O-CB 3.25Å; S761-Y765 WeakPolarHBondContact O-CB 3.44Å; S761-Y765 PolarHBondContact O-N 3.17Å
762	N	98	Very high	97.1	Very high	60 Å²	60	39.4 Å²	39.4	32%	0.321	21%	0.206	S	C	.	.	H	α-helix	trans	-67.6	-43.7	175.8	-74.5	-31	0	0	0	111.7	R695 M758 S759 L760 Y765 Q766	R695-N762 PolarHBondContact NE-OD1 3.47Å; R695-N762 PolarHBondContact NH1-OD1 3.23Å; R695-N762 PolarHBondContact NH2-OD1 2.6Å; M758-N762 VanDerWaalsContact O-CG 3.3Å; M758-N762 PolarHBondContact O-N 3.36Å; M758-N762 PolarHBondContact O-ND2 3.02Å; S759-N762 WeakPolarHBondContact O-CB 3.49Å; S759-N762 PolarHBondContact O-N 3.28Å; L760-N762 VanDerWaalsContact C-N 3.25Å; L760-N762 PolarHBondContact O-N 3.09Å; N762-Y765 PolarHBondContact O-N 3.37Å; N762-Q766 WeakPolarHBondContact O-CG 3.34Å; N762-Q766 PolarHBondContact O-N 3.5Å
763	I	97.3	Very high	97.2	Very high	53 Å²	53	39.3 Å²	39.3	27%	0.272	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-49.8	177.2	-67.3	160.9	0	0	0	109.6	I729 Q732 S759 L760 Y765 Q766	I729-I763 HydrophobicContact CG1-CG2 4.12Å; Q732-I763 HydrophobicContact CB-CD1 4.04Å; Q732-I763 HydrophobicContact CG-CD1 3.88Å; S759-I763 WeakPolarHBondContact O-CG1 3.38Å; S759-I763 PolarHBondContact O-N 2.99Å; S759-I763 VanDerWaalsContact O-N 3.12Å; L760-I763 PolarHBondContact O-N 3.44Å; I763-Y765 PolarHBondContact O-N 2.84Å; I763-Q766 PolarHBondContact O-N 2.87Å
764	L	98.4	Very high	97.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-36.3	176.6	-63.6	177.8	0	0	0	111.8	L699 I729 L760 Q766 A767 F778 A781 L782 L785	L699-L764 HydrophobicContact CD1-CB 4.1Å; L699-L764 HydrophobicContact CD2-CB 3.86Å; I729-L764 HydrophobicContact CD1-CD2 4.34Å; I729-L764 HydrophobicContact CG1-CD2 4.45Å; I729-L764 HydrophobicContact CG2-CD2 3.68Å; L760-L764 HydrophobicContact CD1-CG 4.48Å; L760-L764 HydrophobicContact CG-CD1 4.31Å; L760-L764 WeakPolarHBondContact O-CG 3.44Å; L760-L764 PolarHBondContact O-N 2.83Å; L764-Q766 PolarHBondContact O-N 3.44Å; L764-A767 VanDerWaalsContact O-CB 3.26Å; L764-A767 WeakPolarHBondContact O-CB 3.48Å; L764-A767 PolarHBondContact O-N 2.82Å; L764-A767 VanDerWaalsContact O-N 3.13Å; L764-F778 HydrophobicContact CB-CE2 3.89Å; L764-F778 HydrophobicContact CB-CZ 4.49Å; L764-F778 HydrophobicContact CD2-CD2 3.71Å; L764-F778 HydrophobicContact CD2-CE2 3.85Å; L764-F778 HydrophobicContact CD2-CG 4.46Å; L764-F778 HydrophobicContact CG-CE2 4.44Å; L764-F778 WeakPolarHBondContact O-CE2 3.45Å; L764-A781 HydrophobicContact CD1-CB 4.36Å; L764-A781 HydrophobicContact CD2-CB 3.89Å; L764-L782 HydrophobicContact CD1-CB 4.22Å; L764-L782 HydrophobicContact CD1-CD1 4.34Å; L764-L785 HydrophobicContact CD1-CD2 4.04Å
765	Y	97.1	Very high	97.1	Very high	103 Å²	103	40.1 Å²	40.1	40%	0.404	21%	0.206	S	C	.	.	H	α-helix	trans	-67.3	-24.6	-177.9	-166.1	-96.8	0	0	0	113.5	R695 T698 L699 S761 N762 I763	R695-Y765 HydrophobicContact CG-CD2 3.76Å; R695-Y765 HydrophobicContact CG-CE2 4.3Å; R695-Y765 HydrophobicContact CG-CG 4.23Å; T698-Y765 HydrophobicContact CG2-CE2 3.81Å; L699-Y765 HydrophobicContact CD2-CD2 4.03Å; L699-Y765 HydrophobicContact CG-CD2 4.35Å; S761-Y765 VanDerWaalsContact O-CB 3.25Å; S761-Y765 WeakPolarHBondContact O-CB 3.44Å; S761-Y765 PolarHBondContact O-N 3.17Å; N762-Y765 PolarHBondContact O-N 3.37Å; I763-Y765 PolarHBondContact O-N 2.84Å
766	Q	96.1	Very high	97	Very high	154 Å²	154	39.3 Å²	39.3	72%	0.72	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-10	177.2	-67	174.9	6.9	0	0	113.3	N762 I763 L764 S768	N762-Q766 WeakPolarHBondContact O-CG 3.34Å; N762-Q766 PolarHBondContact O-N 3.5Å; I763-Q766 PolarHBondContact O-N 2.87Å; L764-Q766 PolarHBondContact O-N 3.44Å; Q766-S768 PolarHBondContact O-N 3.36Å
767	A	96.4	Very high	97	Very high	9 Å²	9	38.1 Å²	38.1	7%	0.074	20%	0.2	C	C	.	.			trans	-60.6	136.5	-177.4	0	0	0	0	0	112	L764 L771 I772 F778	L764-A767 VanDerWaalsContact O-CB 3.26Å; L764-A767 WeakPolarHBondContact O-CB 3.48Å; L764-A767 PolarHBondContact O-N 2.82Å; L764-A767 VanDerWaalsContact O-N 3.13Å; A767-L771 HydrophobicContact CB-CB 4.26Å; A767-I772 HydrophobicContact CB-CG1 4.12Å; A767-F778 HydrophobicContact CB-CD2 3.73Å; A767-F778 HydrophobicContact CB-CE2 3.6Å
768	S	96.3	Very high	97	Very high	42 Å²	42	38.1 Å²	38.1	29%	0.294	20%	0.2	S	C	.	.			trans	-68.8	156.7	176.5	66.7	0	0	0	0	112.4	Q766 P770 L771 I772	Q766-S768 PolarHBondContact O-N 3.36Å; S768-P770 VanDerWaalsContact C-N 3.33Å; S768-L771 WeakPolarHBondContact O-CA 3.5Å; S768-L771 WeakPolarHBondContact O-CB 3.32Å; S768-L771 PolarHBondContact O-N 3Å; S768-I772 WeakPolarHBondContact O-CG1 3.39Å; S768-I772 PolarHBondContact O-N 3.17Å
769	Q	95.1	Very high	97	Very high	107 Å²	107	36.9 Å²	36.9	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-53.9	-41.5	178.9	-169.9	65.2	21.4	0	0	113.6	L771 I772 L773	Q769-L771 VanDerWaalsContact C-N 3.31Å; Q769-L771 PolarHBondContact O-N 3.48Å; Q769-I772 PolarHBondContact O-N 3.45Å; Q769-L773 WeakPolarHBondContact O-CB 3.4Å; Q769-L773 PolarHBondContact O-N 3.14Å
770	P	95.4	Very high	97	Very high	51 Å²	51	34.7 Å²	34.7	33%	0.331	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-33.9	174.6	-23.8	35.1	0	0	0	113.6	S768 L773 H774	S768-P770 VanDerWaalsContact C-N 3.33Å; P770-L773 PolarHBondContact O-N 3.13Å; P770-H774 VanDerWaalsContact O-CB 3.27Å; P770-H774 WeakPolarHBondContact O-CB 3.33Å; P770-H774 PolarHBondContact O-CD2 2.97Å; P770-H774 PolarHBondContact O-N 3.39Å
771	L	96.1	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-47.9	175.2	-80.2	169.9	0	0	0	111.3	L718 Q722 E725 A726 A767 S768 Q769 L773 H774 S775	L718-L771 HydrophobicContact CD1-CD2 4.29Å; L718-L771 HydrophobicContact CD2-CD2 4.03Å; Q722-L771 HydrophobicContact CB-CD2 3.96Å; Q722-L771 HydrophobicContact CB-CG 4.23Å; Q722-L771 HydrophobicContact CG-CG 4.28Å; Q722-L771 WeakPolarHBondContact O-CD2 3.46Å; E725-L771 HydrophobicContact CB-CD1 3.94Å; E725-L771 HydrophobicContact CG-CD1 3.66Å; E725-L771 VanDerWaalsContact OE1-CD1 3.29Å; E725-L771 WeakPolarHBondContact OE1-CD1 3.47Å; E725-L771 WeakPolarHBondContact OE2-CD1 3.49Å; A726-L771 HydrophobicContact CB-CD2 4Å; A767-L771 HydrophobicContact CB-CB 4.26Å; S768-L771 WeakPolarHBondContact O-CA 3.5Å; S768-L771 WeakPolarHBondContact O-CB 3.32Å; S768-L771 PolarHBondContact O-N 3Å; Q769-L771 VanDerWaalsContact C-N 3.31Å; Q769-L771 PolarHBondContact O-N 3.48Å; L771-L773 PolarHBondContact O-N 3.41Å; L771-H774 PolarHBondContact O-N 3.34Å; L771-S775 VanDerWaalsContact O-CB 3.22Å; L771-S775 WeakPolarHBondContact O-CB 3.3Å; L771-S775 PolarHBondContact O-N 2.68Å
772	I	96.5	Very high	97	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-56.3	-40.1	176	-61	172.7	0	0	0	110.1	K702 L703 A706 A767 S768 Q769 F778	K702-I772 HydrophobicContact CB-CD1 4.29Å; K702-I772 HydrophobicContact CD-CD1 4.12Å; L703-I772 HydrophobicContact CB-CG2 4.32Å; L703-I772 HydrophobicContact CD1-CG2 4.04Å; L703-I772 WeakPolarHBondContact CD1-O 3.36Å; A706-I772 HydrophobicContact CB-CG2 3.96Å; A767-I772 HydrophobicContact CB-CG1 4.12Å; S768-I772 WeakPolarHBondContact O-CG1 3.39Å; S768-I772 PolarHBondContact O-N 3.17Å; Q769-I772 PolarHBondContact O-N 3.45Å; I772-F778 HydrophobicContact CB-CE1 4.34Å; I772-F778 HydrophobicContact CG1-CD2 4.47Å; I772-F778 HydrophobicContact CG1-CE1 4.13Å; I772-F778 HydrophobicContact CG1-CE2 4Å; I772-F778 HydrophobicContact CG1-CZ 3.82Å; I772-F778 HydrophobicContact CG2-CE1 4.03Å; I772-F778 HydrophobicContact CG2-CZ 4.44Å
773	L	96	Very high	97	Very high	17 Å²	17	32 Å²	32	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-83.2	-23.7	-178.3	-173.6	65.3	0	0	0	114.5	A706 R707 T711 P713 Q769 P770 L771	A706-L773 HydrophobicContact CB-CB 4.38Å; A706-L773 HydrophobicContact CB-CD1 3.99Å; A706-L773 WeakPolarHBondContact O-CD1 3.4Å; R707-L773 VanDerWaalsContact CZ-O 3.31Å; R707-L773 VanDerWaalsContact NH1-C 3.31Å; R707-L773 PolarHBondContact NH1-O 3.34Å; R707-L773 PolarHBondContact NH2-O 2.95Å; T711-L773 HydrophobicContact CG2-CD2 3.8Å; P713-L773 VanDerWaalsContact CB-O 3.32Å; P713-L773 WeakPolarHBondContact CB-O 3.29Å; Q769-L773 WeakPolarHBondContact O-CB 3.4Å; Q769-L773 PolarHBondContact O-N 3.14Å; P770-L773 PolarHBondContact O-N 3.13Å; L771-L773 PolarHBondContact O-N 3.41Å
774	H	96.7	Very high	97.1	Very high	17 Å²	17	29.6 Å²	29.6	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-127.5	-13.9	-169.6	-59.8	-48.5	0	0	0	114.8	N714 P715 L718 P770 L771	N714-H774 PolarHBondContact N-ND1 3.08Å; N714-H774 WeakPolarHBondContact O-CB 2.9Å; P715-H774 VanDerWaalsContact CA-O 3.29Å; P715-H774 WeakPolarHBondContact CA-O 3.28Å; P715-H774 WeakPolarHBondContact CG-O 3.33Å; L718-H774 HydrophobicContact CD2-CB 3.76Å; L718-H774 HydrophobicContact CG-CB 3.97Å; P770-H774 VanDerWaalsContact O-CB 3.27Å; P770-H774 WeakPolarHBondContact O-CB 3.33Å; P770-H774 PolarHBondContact O-CD2 2.97Å; P770-H774 PolarHBondContact O-N 3.39Å; L771-H774 PolarHBondContact O-N 3.34Å
775	S	97	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.			trans	-86.9	126.9	-179.6	172.8	0	0	0	0	111.9	A726 L771 E777 F778	A726-S775 WeakPolarHBondContact CB-OG 3.3Å; L771-S775 VanDerWaalsContact O-CB 3.22Å; L771-S775 WeakPolarHBondContact O-CB 3.3Å; L771-S775 PolarHBondContact O-N 2.68Å; S775-E777 VanDerWaalsContact C-N 3.34Å; S775-E777 PolarHBondContact OG-N 2.99Å; S775-E777 PolarHBondContact OG-OE2 3.41Å; S775-F778 PolarHBondContact OG-N 3.26Å
776	A	96.3	Very high	97.2	Very high	28 Å²	28	24.9 Å²	24.9	23%	0.231	13%	0.133	C	C	.	.	H	α-helix	trans	-72.1	-33.4	169.1	0	0	0	0	0	110.8	F778 E779 D780 L811 C812	A776-F778 VanDerWaalsContact C-N 3.33Å; A776-F778 PolarHBondContact O-N 3.41Å; A776-E779 PolarHBondContact O-N 3.36Å; A776-D780 VanDerWaalsContact O-CB 3.3Å; A776-D780 WeakPolarHBondContact O-CB 3.19Å; A776-D780 PolarHBondContact O-N 3.26Å; A776-L811 HydrophobicContact CB-CB 3.85Å; A776-L811 HydrophobicContact CB-CD1 4.16Å; A776-C812 PolarHBondContact O-SG 2.76Å
777	E	97.4	Very high	97.3	Very high	66 Å²	66	17.6 Å²	17.6	31%	0.308	10%	0.099	S	C	.	.	H	α-helix	trans	-63.1	-38.2	178	-56	81.6	173.6	0	0	111.9	A726 W730 S775 A781	A726-E777 HydrophobicContact CB-CB 4.31Å; A726-E777 HydrophobicContact CB-CG 4.31Å; A726-E777 WeakPolarHBondContact O-CB 3.37Å; W730-E777 HydrophobicContact CB-CB 4.17Å; W730-E777 HydrophobicContact CB-CG 3.96Å; S775-E777 VanDerWaalsContact C-N 3.34Å; S775-E777 PolarHBondContact OG-N 2.99Å; S775-E777 PolarHBondContact OG-OE2 3.41Å; E777-A781 WeakPolarHBondContact O-CB 3.4Å; E777-A781 PolarHBondContact O-N 3.18Å
778	F	98.1	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-49.6	173.3	-179.6	-85.5	0	0	0	111.8	L703 I729 L764 A767 I772 S775 A776 D780 A781 L782	L703-F778 HydrophobicContact CB-CE1 4.33Å; L703-F778 HydrophobicContact CD1-CD1 4.32Å; L703-F778 HydrophobicContact CD1-CE1 4.29Å; L703-F778 HydrophobicContact CD2-CE1 4.42Å; I729-F778 HydrophobicContact CD1-CD2 4.21Å; L764-F778 HydrophobicContact CB-CE2 3.89Å; L764-F778 HydrophobicContact CB-CZ 4.49Å; L764-F778 HydrophobicContact CD2-CD2 3.71Å; L764-F778 HydrophobicContact CD2-CE2 3.85Å; L764-F778 HydrophobicContact CD2-CG 4.46Å; L764-F778 HydrophobicContact CG-CE2 4.44Å; L764-F778 WeakPolarHBondContact O-CE2 3.45Å; A767-F778 HydrophobicContact CB-CD2 3.73Å; A767-F778 HydrophobicContact CB-CE2 3.6Å; I772-F778 HydrophobicContact CB-CE1 4.34Å; I772-F778 HydrophobicContact CG1-CD2 4.47Å; I772-F778 HydrophobicContact CG1-CE1 4.13Å; I772-F778 HydrophobicContact CG1-CE2 4Å; I772-F778 HydrophobicContact CG1-CZ 3.82Å; I772-F778 HydrophobicContact CG2-CE1 4.03Å; I772-F778 HydrophobicContact CG2-CZ 4.44Å; S775-F778 PolarHBondContact OG-N 3.26Å; A776-F778 VanDerWaalsContact C-N 3.33Å; A776-F778 PolarHBondContact O-N 3.41Å; F778-D780 VanDerWaalsContact C-N 3.35Å; F778-D780 PolarHBondContact O-N 2.96Å; F778-A781 PolarHBondContact O-N 3.29Å; F778-L782 HydrophobicContact CE1-CD2 4.14Å; F778-L782 WeakPolarHBondContact O-CB 3.28Å; F778-L782 PolarHBondContact O-N 3Å
779	E	98	Very high	97.5	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-59.7	-46.7	179.1	-178.5	176.5	126	0	0	111	L703 R707 A776 L782 A783 K810 L811 C812	L703-E779 HydrophobicContact CD2-CB 4.41Å; L703-E779 HydrophobicContact CD2-CG 4.19Å; R707-E779 IonicContact CZ-OE2 3.84Å; R707-E779 IonicContact NE-OE2 3.1Å; R707-E779 PolarHBondContact NE-OE2 2.88Å; R707-E779 IonicContact NH2-OE2 2.82Å; A776-E779 PolarHBondContact O-N 3.36Å; E779-L782 PolarHBondContact O-N 2.94Å; E779-A783 WeakPolarHBondContact O-CB 3.21Å; E779-A783 PolarHBondContact O-N 3.23Å; E779-K810 WeakPolarHBondContact OE1-CA 3.27Å; E779-K810 WeakPolarHBondContact OE1-CB 3.43Å; E779-L811 VanDerWaalsContact CD-N 3.3Å; E779-L811 PolarHBondContact OE1-N 3.3Å; E779-L811 PolarHBondContact OE2-N 3.22Å; E779-C812 PolarHBondContact OE1-N 2.78Å
780	D	97.8	Very high	97.6	Very high	13 Å²	13	10.1 Å²	10.1	7%	0.07	6%	0.058	C	C	.	.	H	α-helix	trans	-63.6	-45	178.6	-175.5	31.3	0	0	0	112.6	K733 A776 F778 L782 A783 T784 H814 H815	K733-D780 IonicContact NZ-OD2 3.34Å; K733-D780 PolarHBondContact NZ-OD2 3.29Å; A776-D780 VanDerWaalsContact O-CB 3.3Å; A776-D780 WeakPolarHBondContact O-CB 3.19Å; A776-D780 PolarHBondContact O-N 3.26Å; F778-D780 VanDerWaalsContact C-N 3.35Å; F778-D780 PolarHBondContact O-N 2.96Å; D780-L782 VanDerWaalsContact C-N 3.32Å; D780-L782 PolarHBondContact O-N 2.91Å; D780-A783 PolarHBondContact O-N 2.99Å; D780-T784 WeakPolarHBondContact O-CB 3.44Å; D780-T784 PolarHBondContact O-N 3.16Å; D780-T784 PolarHBondContact O-OG1 3.45Å; D780-H814 IonicContact OD1-CE1 2.82Å; D780-H814 PolarHBondContact OD1-CE1 3.23Å; D780-H814 IonicContact OD1-NE2 3.36Å; D780-H814 PolarHBondContact OD1-NE2 3.18Å; D780-H814 VanDerWaalsContact OD1-NE2 3.15Å; D780-H814 IonicContact OD2-CE1 3.5Å; D780-H815 IonicContact OD1-CD2 3.67Å; D780-H815 IonicContact OD1-CE1 3.71Å; D780-H815 IonicContact OD1-NE2 2.83Å; D780-H815 PolarHBondContact OD1-NE2 3.04Å
781	A	98.5	Very high	97.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.9	-36.6	178.3	0	0	0	0	0	112.1	I729 K733 L764 E777 F778 L785	I729-A781 HydrophobicContact CG2-CB 3.48Å; I729-A781 VanDerWaalsContact CG2-CB 3.48Å; K733-A781 HydrophobicContact CB-CB 4.07Å; K733-A781 HydrophobicContact CD-CB 4.34Å; K733-A781 HydrophobicContact CG-CB 4.17Å; L764-A781 HydrophobicContact CD1-CB 4.36Å; L764-A781 HydrophobicContact CD2-CB 3.89Å; E777-A781 WeakPolarHBondContact O-CB 3.4Å; E777-A781 PolarHBondContact O-N 3.18Å; F778-A781 PolarHBondContact O-N 3.29Å; A781-L785 VanDerWaalsContact O-CB 3.26Å; A781-L785 WeakPolarHBondContact O-CB 3.17Å; A781-L785 PolarHBondContact O-N 2.82Å
782	L	98.6	Very high	97.8	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.021	4%	0.042	C	C	.	.	H	α-helix	trans	-70.3	-42.3	175.5	-177.7	57	0	0	0	112.1	L699 V700 L703 L764 F778 E779 D780 L785 C786 L804	L699-L782 HydrophobicContact CB-CD1 3.72Å; L699-L782 HydrophobicContact CB-CD2 4.22Å; L699-L782 HydrophobicContact CD1-CD1 4.2Å; V700-L782 HydrophobicContact CG2-CD1 4.3Å; V700-L782 HydrophobicContact CG2-CD2 4.33Å; V700-L782 HydrophobicContact CG2-CG 4.48Å; L703-L782 HydrophobicContact CB-CD2 4.15Å; L703-L782 HydrophobicContact CD2-CD2 3.85Å; L764-L782 HydrophobicContact CD1-CB 4.22Å; L764-L782 HydrophobicContact CD1-CD1 4.34Å; F778-L782 HydrophobicContact CE1-CD2 4.14Å; F778-L782 WeakPolarHBondContact O-CB 3.28Å; F778-L782 PolarHBondContact O-N 3Å; E779-L782 PolarHBondContact O-N 2.94Å; D780-L782 VanDerWaalsContact C-N 3.32Å; D780-L782 PolarHBondContact O-N 2.91Å; L782-L785 HydrophobicContact CD1-CD2 4.4Å; L782-L785 PolarHBondContact O-N 2.97Å; L782-C786 PolarHBondContact O-N 3.1Å; L782-L804 HydrophobicContact CD2-CD2 4.34Å; L782-L804 HydrophobicContact CG-CD1 4.42Å
783	A	98.4	Very high	97.9	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-61.6	-47	174.3	0	0	0	0	0	111.2	E779 D780 L785 C786 I787 W801 W817	E779-A783 WeakPolarHBondContact O-CB 3.21Å; E779-A783 PolarHBondContact O-N 3.23Å; D780-A783 PolarHBondContact O-N 2.99Å; A783-L785 PolarHBondContact O-N 3.49Å; A783-C786 VanDerWaalsContact O-CB 3.28Å; A783-C786 WeakPolarHBondContact O-CB 3.32Å; A783-C786 PolarHBondContact O-N 3.34Å; A783-C786 VanDerWaalsContact O-N 3.11Å; A783-I787 WeakPolarHBondContact O-CG1 3.4Å; A783-I787 PolarHBondContact O-N 2.7Å; A783-W801 HydrophobicContact CB-CZ3 4.04Å; A783-W817 HydrophobicContact CB-CH2 3.77Å; A783-W817 HydrophobicContact CB-CZ3 4.44Å
784	T	98.6	Very high	98	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.012	4%	0.037	C	C	.	.	H	α-helix	trans	-57.4	-47	174.3	-65.5	0	0	0	0	111.6	K733 I737 D780 C786 I787 M788 P827	K733-T784 HydrophobicContact CD-CG2 4.3Å; K733-T784 HydrophobicContact CG-CG2 3.91Å; I737-T784 HydrophobicContact CD1-CG2 3.83Å; I737-T784 HydrophobicContact CG1-CG2 3.81Å; D780-T784 WeakPolarHBondContact O-CB 3.44Å; D780-T784 PolarHBondContact O-N 3.16Å; D780-T784 PolarHBondContact O-OG1 3.45Å; T784-C786 VanDerWaalsContact C-N 3.27Å; T784-C786 PolarHBondContact O-N 2.96Å; T784-I787 PolarHBondContact O-N 3.12Å; T784-M788 HydrophobicContact CG2-CG 4.35Å; T784-M788 HydrophobicContact CG2-SD 3.7Å; T784-M788 VanDerWaalsContact O-CG 3.31Å; T784-M788 WeakPolarHBondContact O-CG 3.04Å; T784-M788 PolarHBondContact O-N 3.31Å; T784-P827 HydrophobicContact CG2-CB 3.98Å; T784-P827 HydrophobicContact CG2-CG 3.94Å
785	L	98.7	Very high	98	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-57.3	-42	175.6	176.1	61	0	0	0	111.3	L696 L699 L757 L760 L764 A781 L782 A783 M788 V789	L696-L785 HydrophobicContact CD2-CD1 4.35Å; L696-L785 HydrophobicContact CD2-CD2 3.62Å; L696-L785 HydrophobicContact CD2-CG 3.99Å; L699-L785 HydrophobicContact CD1-CD2 4.38Å; L757-L785 HydrophobicContact CB-CD1 3.85Å; L757-L785 HydrophobicContact CD2-CD1 3.82Å; L757-L785 HydrophobicContact CG-CD1 4.37Å; L760-L785 HydrophobicContact CD2-CB 4.18Å; L760-L785 HydrophobicContact CD2-CD1 4.4Å; L764-L785 HydrophobicContact CD1-CD2 4.04Å; A781-L785 VanDerWaalsContact O-CB 3.26Å; A781-L785 WeakPolarHBondContact O-CB 3.17Å; A781-L785 PolarHBondContact O-N 2.82Å; L782-L785 HydrophobicContact CD1-CD2 4.4Å; L782-L785 PolarHBondContact O-N 2.97Å; A783-L785 PolarHBondContact O-N 3.49Å; L785-M788 PolarHBondContact O-N 3.18Å; L785-V789 HydrophobicContact CD1-CG2 4.12Å; L785-V789 WeakPolarHBondContact O-CB 3.36Å; L785-V789 WeakPolarHBondContact O-CG2 3.37Å; L785-V789 PolarHBondContact O-N 3Å
786	C	98.4	Very high	98.1	Very high	3 Å²	3	6 Å²	6	2%	0.02	3%	0.034	C	C	.	.	H	α-helix	trans	-61.8	-44.4	176.7	-166.2	0	0	0	0	112.2	L782 A783 T784 V789 A790 A797 W801 L804	L782-C786 PolarHBondContact O-N 3.1Å; A783-C786 VanDerWaalsContact O-CB 3.28Å; A783-C786 WeakPolarHBondContact O-CB 3.32Å; A783-C786 PolarHBondContact O-N 3.34Å; A783-C786 VanDerWaalsContact O-N 3.11Å; T784-C786 VanDerWaalsContact C-N 3.27Å; T784-C786 PolarHBondContact O-N 2.96Å; C786-V789 PolarHBondContact O-N 3.17Å; C786-A790 PolarHBondContact O-N 2.94Å; C786-A797 PolarHBondContact SG-O 3.28Å; C786-W801 HydrophobicContact CB-CE3 4.28Å; C786-L804 HydrophobicContact CB-CD1 4.49Å
787	I	98.7	Very high	98.2	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.01	2%	0.023	C	C	.	.	H	α-helix	trans	-61.8	-46.2	176.3	-63.5	169.1	0	0	0	110.5	M117 A783 T784 V789 A790 W801 V821 Q824 P827	M117-I787 HydrophobicContact CE-CG2 3.36Å; A783-I787 WeakPolarHBondContact O-CG1 3.4Å; A783-I787 PolarHBondContact O-N 2.7Å; T784-I787 PolarHBondContact O-N 3.12Å; I787-V789 VanDerWaalsContact C-N 3.31Å; I787-V789 PolarHBondContact O-N 3.4Å; I787-A790 VanDerWaalsContact O-CB 3.31Å; I787-A790 WeakPolarHBondContact O-CB 3.37Å; I787-A790 PolarHBondContact O-N 2.78Å; I787-W801 HydrophobicContact CD1-CH2 3.78Å; I787-W801 HydrophobicContact CD1-CZ3 3.68Å; I787-W801 HydrophobicContact CG1-CE3 4.06Å; I787-W801 HydrophobicContact CG1-CH2 4.02Å; I787-W801 HydrophobicContact CG1-CZ3 3.51Å; I787-V821 HydrophobicContact CG1-CG2 4.25Å; I787-Q824 HydrophobicContact CD1-CB 4.05Å; I787-Q824 HydrophobicContact CD1-CG 4.12Å; I787-Q824 HydrophobicContact CG1-CB 4.14Å; I787-Q824 HydrophobicContact CG1-CG 4.11Å; I787-Q824 HydrophobicContact CG2-CB 4.17Å; I787-P827 HydrophobicContact CB-CG 4.19Å; I787-P827 HydrophobicContact CG2-CG 3.86Å
788	M	98.8	Very high	98.2	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-71.4	-24.4	-176.5	-65.3	175.3	76.4	0	0	113.7	V736 I737 V740 L757 T784 L785 M792 W826 P827	V736-M788 HydrophobicContact CG1-CE 4.16Å; I737-M788 HydrophobicContact CG1-CE 4.47Å; I737-M788 HydrophobicContact CG1-SD 3.91Å; V740-M788 HydrophobicContact CB-CE 3.32Å; V740-M788 HydrophobicContact CG1-CE 3.52Å; V740-M788 HydrophobicContact CG2-CE 3.74Å; L757-M788 HydrophobicContact CD1-CB 4.41Å; L757-M788 HydrophobicContact CD2-CB 3.73Å; L757-M788 HydrophobicContact CD2-CE 4.01Å; L757-M788 HydrophobicContact CD2-SD 4.16Å; T784-M788 HydrophobicContact CG2-CG 4.35Å; T784-M788 HydrophobicContact CG2-SD 3.7Å; T784-M788 VanDerWaalsContact O-CG 3.31Å; T784-M788 WeakPolarHBondContact O-CG 3.04Å; T784-M788 PolarHBondContact O-N 3.31Å; L785-M788 PolarHBondContact O-N 3.18Å; M788-M792 WeakPolarHBondContact O-CE 3.46Å; M788-W826 HydrophobicContact CB-CH2 3.91Å; M788-W826 HydrophobicContact CB-CZ2 4.45Å; M788-W826 HydrophobicContact CB-CZ3 4.42Å; M788-W826 HydrophobicContact CE-CZ2 4Å; M788-W826 HydrophobicContact CG-CH2 3.9Å; M788-W826 HydrophobicContact CG-CZ2 4.01Å; M788-W826 HydrophobicContact CG-CZ3 4.39Å; M788-P827 HydrophobicContact CG-CG 3.96Å
789	V	98.6	Very high	98.2	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-75.4	-27.3	173.2	169.2	0	0	0	0	111.9	W692 L696 L757 L785 C786 I787 M792 A793 A797	W692-V789 HydrophobicContact CH2-CG2 3.95Å; W692-V789 HydrophobicContact CZ2-CG2 4.18Å; L696-V789 HydrophobicContact CD1-CG1 4.33Å; L696-V789 HydrophobicContact CD1-CG2 4.22Å; L757-V789 HydrophobicContact CD1-CG2 4.08Å; L785-V789 HydrophobicContact CD1-CG2 4.12Å; L785-V789 WeakPolarHBondContact O-CB 3.36Å; L785-V789 WeakPolarHBondContact O-CG2 3.37Å; L785-V789 PolarHBondContact O-N 3Å; C786-V789 PolarHBondContact O-N 3.17Å; I787-V789 VanDerWaalsContact C-N 3.31Å; I787-V789 PolarHBondContact O-N 3.4Å; V789-M792 PolarHBondContact O-N 3.41Å; V789-A793 HydrophobicContact CG1-CB 3.9Å; V789-A793 PolarHBondContact O-N 3.02Å; V789-A797 HydrophobicContact CG1-CB 4.39Å
790	A	98.2	Very high	98.2	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.1	-170	0	0	0	0	0	115.8	M117 C786 I787 M792 P794 A797 V821 L822	M117-A790 HydrophobicContact CE-CB 4.5Å; C786-A790 PolarHBondContact O-N 2.94Å; I787-A790 VanDerWaalsContact O-CB 3.31Å; I787-A790 WeakPolarHBondContact O-CB 3.37Å; I787-A790 PolarHBondContact O-N 2.78Å; A790-M792 PolarHBondContact O-N 2.93Å; A790-P794 WeakPolarHBondContact O-CA 3.25Å; A790-P794 WeakPolarHBondContact O-CB 3.34Å; A790-A797 HydrophobicContact CB-CB 3.75Å; A790-V821 HydrophobicContact CB-CG1 3.88Å; A790-V821 HydrophobicContact CB-CG2 3.9Å; A790-L822 HydrophobicContact CB-CD2 3.85Å
791	P	97.5	Very high	98.2	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.006	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.3	174.7	-25.2	35.1	0	0	0	113.9	A110 R113 F114 M117 R664 F744 W826	A110-P791 WeakPolarHBondContact CA-O 3.49Å; A110-P791 WeakPolarHBondContact O-CB 3.42Å; R113-P791 HydrophobicContact CB-CB 3.9Å; R113-P791 HydrophobicContact CB-CG 4.46Å; R113-P791 WeakPolarHBondContact CD-O 3.26Å; F114-P791 HydrophobicContact CB-CB 4.32Å; F114-P791 HydrophobicContact CB-CG 4.26Å; M117-P791 HydrophobicContact SD-CG 3.82Å; R664-P791 PolarHBondContact NH2-O 3.05Å; R664-P791 VanDerWaalsContact NH2-O 3.07Å; F744-P791 HydrophobicContact CE1-CB 4.31Å; P791-W826 HydrophobicContact CG-CH2 4.49Å; P791-W826 HydrophobicContact CG-CZ3 3.74Å
792	M	97.7	Very high	98.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-40.8	-173.6	-60.1	168.6	-78.9	0	0	111.8	R664 L665 L668 F744 I754 L757 M788 V789 A790	R664-M792 WeakPolarHBondContact CB-O 3.49Å; R664-M792 PolarHBondContact NE-O 2.93Å; L665-M792 HydrophobicContact CD2-CB 3.81Å; L668-M792 HydrophobicContact CD1-CB 3.83Å; L668-M792 HydrophobicContact CD1-CG 3.75Å; F744-M792 HydrophobicContact CE2-CE 4.19Å; F744-M792 HydrophobicContact CE2-SD 4Å; F744-M792 HydrophobicContact CZ-CE 4.14Å; F744-M792 HydrophobicContact CZ-CG 3.77Å; F744-M792 HydrophobicContact CZ-SD 3.74Å; I754-M792 HydrophobicContact CD1-SD 4Å; I754-M792 HydrophobicContact CG1-SD 3.51Å; I754-M792 VanDerWaalsContact CG1-SD 3.51Å; L757-M792 HydrophobicContact CD1-CE 3.34Å; M788-M792 WeakPolarHBondContact O-CE 3.46Å; V789-M792 PolarHBondContact O-N 3.41Å; A790-M792 PolarHBondContact O-N 2.93Å
793	A	97.9	Very high	98	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-131.2	72.3	-179.2	0	0	0	0	0	110.5	D661 L665 V789 H795 V796 A797	D661-A793 HydrophobicContact CB-CB 3.93Å; D661-A793 VanDerWaalsContact OD2-C 3.24Å; L665-A793 HydrophobicContact CD1-CB 3.86Å; L665-A793 HydrophobicContact CD2-CB 4.04Å; L665-A793 HydrophobicContact CG-CB 3.89Å; V789-A793 HydrophobicContact CG1-CB 3.9Å; V789-A793 PolarHBondContact O-N 3.02Å; A793-H795 VanDerWaalsContact C-N 3.33Å; A793-H795 PolarHBondContact O-N 3.37Å; A793-V796 HydrophobicContact CB-CG1 3.65Å; A793-A797 VanDerWaalsContact O-CB 3.23Å; A793-A797 WeakPolarHBondContact O-CB 3.22Å; A793-A797 PolarHBondContact O-N 2.92Å; A793-A797 VanDerWaalsContact O-N 3.17Å
794	P	97.5	Very high	97.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-67.2	-29	-168.3	26.2	-36.3	0	0	0	113.8	I67 D661 A790 S798 L822	I67-P794 HydrophobicContact CD1-CB 3.98Å; I67-P794 HydrophobicContact CG2-CB 4.47Å; D661-P794 WeakPolarHBondContact OD1-CD 3.47Å; A790-P794 WeakPolarHBondContact O-CA 3.25Å; A790-P794 WeakPolarHBondContact O-CB 3.34Å; P794-S798 VanDerWaalsContact O-CB 3.3Å; P794-S798 WeakPolarHBondContact O-CB 3.41Å; P794-S798 PolarHBondContact O-N 3.33Å; P794-S798 PolarHBondContact O-OG 3.34Å; P794-L822 HydrophobicContact CB-CD1 4.16Å; P794-L822 HydrophobicContact CB-CD2 4.46Å
795	H	97.7	Very high	97.7	Very high	3 Å²	3	4.4 Å²	4.4	1%	0.014	2%	0.022	C	C	.	.	H	α-helix	trans	-75	-51.6	-175.4	-50.4	84.7	0	0	0	111.2	V59 E60 W63 F64 I67 D661 A793 A797 S798 E799	V59-H795 HydrophobicContact CG1-CB 4.2Å; V59-H795 WeakPolarHBondContact CG1-O 3.39Å; E60-H795 HydrophobicContact CG-CB 3.9Å; W63-H795 HydrophobicContact CB-CB 4.45Å; F64-H795 AromaticContact CD2-NE2 3.91Å; I67-H795 HydrophobicContact CD1-CB 4.46Å; D661-H795 IonicContact OD1-CE1 3.02Å; D661-H795 IonicContact OD1-CG 2.69Å; D661-H795 IonicContact OD1-ND1 3.16Å; D661-H795 PolarHBondContact OD1-ND1 3.11Å; D661-H795 WeakPolarHBondContact OD2-CA 3.34Å; D661-H795 VanDerWaalsContact OD2-CB 3.31Å; D661-H795 WeakPolarHBondContact OD2-CB 3.29Å; D661-H795 IonicContact OD2-CG 2.6Å; D661-H795 PolarHBondContact OD2-N 3.18Å; D661-H795 IonicContact OD2-ND1 2.9Å; A793-H795 VanDerWaalsContact C-N 3.33Å; A793-H795 PolarHBondContact O-N 3.37Å; H795-A797 VanDerWaalsContact C-N 3.33Å; H795-A797 PolarHBondContact O-N 3.22Å; H795-S798 PolarHBondContact O-N 2.89Å; H795-E799 PolarHBondContact O-N 2.82Å; H795-E799 VanDerWaalsContact O-N 3.15Å
796	V	97.9	Very high	97.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.5	-39.6	177.6	69.8	0	0	0	0	111.1	Y51 D661 W697 A793 S798 E799 M800	Y51-V796 HydrophobicContact CE1-CG2 4.07Å; Y51-V796 HydrophobicContact CE2-CG2 4.05Å; Y51-V796 WeakPolarHBondContact OH-CB 3.32Å; Y51-V796 WeakPolarHBondContact OH-CG2 3.44Å; D661-V796 WeakPolarHBondContact OD2-CG1 3.36Å; D661-V796 PolarHBondContact OD2-N 3.41Å; W697-V796 HydrophobicContact CE3-CG2 4.26Å; A793-V796 HydrophobicContact CB-CG1 3.65Å; V796-S798 VanDerWaalsContact C-N 3.33Å; V796-S798 PolarHBondContact O-N 3.42Å; V796-E799 PolarHBondContact O-N 3.27Å; V796-M800 HydrophobicContact CG1-CE 4.39Å; V796-M800 HydrophobicContact CG2-CE 4.17Å; V796-M800 HydrophobicContact CG2-CG 4.38Å; V796-M800 HydrophobicContact CG2-SD 4.28Å; V796-M800 WeakPolarHBondContact O-CB 3.36Å; V796-M800 VanDerWaalsContact O-CG 3.26Å; V796-M800 WeakPolarHBondContact O-CG 3.46Å; V796-M800 PolarHBondContact O-N 3.45Å
797	A	98.4	Very high	97.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63	-39.7	176.2	0	0	0	0	0	111.9	C786 V789 A790 A793 H795 W801 V821	C786-A797 PolarHBondContact SG-O 3.28Å; V789-A797 HydrophobicContact CG1-CB 4.39Å; A790-A797 HydrophobicContact CB-CB 3.75Å; A793-A797 VanDerWaalsContact O-CB 3.23Å; A793-A797 WeakPolarHBondContact O-CB 3.22Å; A793-A797 PolarHBondContact O-N 2.92Å; A793-A797 VanDerWaalsContact O-N 3.17Å; H795-A797 VanDerWaalsContact C-N 3.33Å; H795-A797 PolarHBondContact O-N 3.22Å; A797-W801 VanDerWaalsContact O-CB 3.23Å; A797-W801 WeakPolarHBondContact O-CB 3.4Å; A797-W801 PolarHBondContact O-N 3.44Å; A797-V821 HydrophobicContact CB-CG1 4.3Å
798	S	98.1	Very high	96.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-43.1	178.9	-61.1	0	0	0	0	111.9	W63 P794 H795 V796 W801 K802 V821	W63-S798 WeakPolarHBondContact CZ2-O 3.26Å; P794-S798 VanDerWaalsContact O-CB 3.3Å; P794-S798 WeakPolarHBondContact O-CB 3.41Å; P794-S798 PolarHBondContact O-N 3.33Å; P794-S798 PolarHBondContact O-OG 3.34Å; H795-S798 PolarHBondContact O-N 2.89Å; V796-S798 VanDerWaalsContact C-N 3.33Å; V796-S798 PolarHBondContact O-N 3.42Å; S798-W801 PolarHBondContact O-N 3.49Å; S798-K802 WeakPolarHBondContact O-CB 3.49Å; S798-K802 PolarHBondContact O-N 3.1Å; S798-V821 WeakPolarHBondContact OG-CG1 3.39Å
799	E	98.3	Very high	96.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.5	-44.2	177.4	-173.5	67.2	-169.8	0	0	112.2	I40 Y41 S42 W47 V59 W63 W697 H795 V796 W801 K802 G803	I40-E799 WeakPolarHBondContact CB-OE1 3.37Å; Y41-E799 WeakPolarHBondContact CA-OE1 3.43Å; Y41-E799 VanDerWaalsContact CB-OE1 3.26Å; Y41-E799 WeakPolarHBondContact CB-OE1 3.2Å; Y41-E799 PolarHBondContact N-OE1 2.95Å; S42-E799 VanDerWaalsContact CB-OE2 3.27Å; S42-E799 WeakPolarHBondContact CB-OE2 3.41Å; S42-E799 PolarHBondContact N-OE1 3.28Å; S42-E799 VanDerWaalsContact N-OE1 3.08Å; S42-E799 PolarHBondContact OG-OE2 2.87Å; W47-E799 HydrophobicContact CZ3-CG 4.47Å; V59-E799 HydrophobicContact CG1-CB 3.82Å; V59-E799 HydrophobicContact CG1-CG 4.45Å; V59-E799 HydrophobicContact CG2-CB 4.04Å; V59-E799 HydrophobicContact CG2-CG 3.73Å; W63-E799 PolarHBondContact NE1-OE2 3.44Å; W697-E799 HydrophobicContact CH2-CB 4.41Å; W697-E799 HydrophobicContact CH2-CG 3.49Å; W697-E799 VanDerWaalsContact CH2-CG 3.49Å; W697-E799 HydrophobicContact CZ3-CB 4.11Å; W697-E799 HydrophobicContact CZ3-CG 3.68Å; H795-E799 PolarHBondContact O-N 2.82Å; H795-E799 VanDerWaalsContact O-N 3.15Å; V796-E799 PolarHBondContact O-N 3.27Å; E799-W801 VanDerWaalsContact C-N 3.34Å; E799-W801 PolarHBondContact O-N 3.18Å; E799-K802 PolarHBondContact O-N 2.63Å; E799-G803 PolarHBondContact O-N 3.43Å
800	M	98.3	Very high	95.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-47.4	174.8	-76.5	-171.3	-53.3	0	0	111.5	L696 W697 V700 V796 K802 G803 L804	L696-M800 HydrophobicContact CB-CE 4.23Å; L696-M800 HydrophobicContact CB-SD 3.73Å; L696-M800 HydrophobicContact CD1-CE 4.46Å; W697-M800 HydrophobicContact CE3-CG 3.92Å; W697-M800 HydrophobicContact CZ3-CG 4.25Å; V700-M800 HydrophobicContact CG2-CB 4.01Å; V700-M800 HydrophobicContact CG2-CG 3.96Å; V700-M800 HydrophobicContact CG2-SD 3.99Å; V796-M800 HydrophobicContact CG1-CE 4.39Å; V796-M800 HydrophobicContact CG2-CE 4.17Å; V796-M800 HydrophobicContact CG2-CG 4.38Å; V796-M800 HydrophobicContact CG2-SD 4.28Å; V796-M800 WeakPolarHBondContact O-CB 3.36Å; V796-M800 VanDerWaalsContact O-CG 3.26Å; V796-M800 WeakPolarHBondContact O-CG 3.46Å; V796-M800 PolarHBondContact O-N 3.45Å; M800-K802 PolarHBondContact O-N 3.26Å; M800-G803 PolarHBondContact O-N 3.04Å; M800-L804 WeakPolarHBondContact O-CG 3.4Å; M800-L804 PolarHBondContact O-N 2.86Å
801	W	98	Very high	95.7	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-43.9	177.1	-175.9	-98.8	0	0	0	111.9	A783 C786 I787 A797 S798 E799 G803 L804 A805 H815 W817 A819 V821 Q824	A783-W801 HydrophobicContact CB-CZ3 4.04Å; C786-W801 HydrophobicContact CB-CE3 4.28Å; I787-W801 HydrophobicContact CD1-CH2 3.78Å; I787-W801 HydrophobicContact CD1-CZ3 3.68Å; I787-W801 HydrophobicContact CG1-CE3 4.06Å; I787-W801 HydrophobicContact CG1-CH2 4.02Å; I787-W801 HydrophobicContact CG1-CZ3 3.51Å; A797-W801 VanDerWaalsContact O-CB 3.23Å; A797-W801 WeakPolarHBondContact O-CB 3.4Å; A797-W801 PolarHBondContact O-N 3.44Å; S798-W801 PolarHBondContact O-N 3.49Å; E799-W801 VanDerWaalsContact C-N 3.34Å; E799-W801 PolarHBondContact O-N 3.18Å; W801-G803 VanDerWaalsContact C-N 3.31Å; W801-G803 PolarHBondContact O-N 2.91Å; W801-L804 PolarHBondContact O-N 3.38Å; W801-A805 VanDerWaalsContact O-CB 3.29Å; W801-A805 WeakPolarHBondContact O-CB 3.44Å; W801-A805 PolarHBondContact O-N 2.93Å; W801-H815 HydrophobicContact CH2-CB 3.93Å; W801-H815 HydrophobicContact CZ2-CB 4.44Å; W801-W817 HydrophobicContact CH2-CE3 4.14Å; W801-W817 AromaticContact CH2-CZ3 3.94Å; W801-W817 HydrophobicContact CH2-CZ3 3.94Å; W801-W817 AromaticContact CZ2-CE3 3.95Å; W801-W817 HydrophobicContact CZ2-CE3 3.95Å; W801-W817 HydrophobicContact CZ2-CZ3 4.18Å; W801-W817 HydrophobicContact CZ3-CZ3 4.13Å; W801-A819 PolarHBondContact NE1-O 3.11Å; W801-V821 HydrophobicContact CB-CB 3.64Å; W801-V821 HydrophobicContact CB-CG2 3.97Å; W801-V821 HydrophobicContact CD2-CB 4.13Å; W801-V821 HydrophobicContact CD2-CG2 4.06Å; W801-V821 HydrophobicContact CE3-CG2 4.11Å; W801-V821 HydrophobicContact CG-CB 3.64Å; W801-V821 HydrophobicContact CG-CG2 4.01Å; W801-Q824 HydrophobicContact CH2-CG 3.95Å; W801-Q824 HydrophobicContact CZ2-CG 3.63Å
802	K	97	Very high	95.3	Very high	60 Å²	60	24.1 Å²	24.1	26%	0.261	12%	0.117	S	C	.	.	H	α-helix	trans	-60.4	-42	178.3	-167.6	70.6	172.2	178.9	0	111.8	Y41 S42 W63 S798 E799 M800 A805 H806	Y41-K802 HydrophobicContact CD1-CG 3.94Å; Y41-K802 HydrophobicContact CE1-CG 4.22Å; S42-K802 WeakPolarHBondContact OG-CG 3.26Å; W63-K802 HydrophobicContact CH2-CB 4.3Å; W63-K802 HydrophobicContact CH2-CD 4.37Å; W63-K802 HydrophobicContact CZ2-CB 3.83Å; W63-K802 HydrophobicContact CZ2-CG 4.22Å; S798-K802 WeakPolarHBondContact O-CB 3.49Å; S798-K802 PolarHBondContact O-N 3.1Å; E799-K802 PolarHBondContact O-N 2.63Å; M800-K802 PolarHBondContact O-N 3.26Å; K802-A805 PolarHBondContact O-N 3.33Å; K802-H806 VanDerWaalsContact CD-CE1 3.47Å; K802-H806 WeakPolarHBondContact CD-CE1 3.42Å; K802-H806 WeakPolarHBondContact CE-CE1 3.48Å; K802-H806 PolarHBondContact NZ-CE1 3.37Å; K802-H806 VanDerWaalsContact NZ-CE1 3.34Å; K802-H806 PolarHBondContact O-N 3.48Å; K802-H806 PolarHBondContact O-ND1 2.99Å
803	G	95.8	Very high	94.7	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-47.6	173.8	0	0	0	0	0	112.6	E799 M800 W801 H806 M807	E799-G803 PolarHBondContact O-N 3.43Å; M800-G803 PolarHBondContact O-N 3.04Å; W801-G803 VanDerWaalsContact C-N 3.31Å; W801-G803 PolarHBondContact O-N 2.91Å; G803-H806 PolarHBondContact O-N 3.15Å; G803-M807 PolarHBondContact O-N 3.04Å
804	L	95.7	Very high	94.3	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-43.4	176.7	-67.8	176.9	0	0	0	112.4	V700 L703 L782 C786 M800 W801 H806 M807 W817	V700-L804 HydrophobicContact CG1-CD2 3.93Å; V700-L804 HydrophobicContact CG1-CG 4.02Å; V700-L804 HydrophobicContact CG2-CD1 4.34Å; V700-L804 HydrophobicContact CG2-CD2 4.43Å; V700-L804 HydrophobicContact CG2-CG 4.38Å; L703-L804 HydrophobicContact CD2-CD2 3.88Å; L782-L804 HydrophobicContact CD2-CD2 4.34Å; L782-L804 HydrophobicContact CG-CD1 4.42Å; C786-L804 HydrophobicContact CB-CD1 4.49Å; M800-L804 WeakPolarHBondContact O-CG 3.4Å; M800-L804 PolarHBondContact O-N 2.86Å; W801-L804 PolarHBondContact O-N 3.38Å; L804-H806 VanDerWaalsContact C-N 3.3Å; L804-H806 PolarHBondContact O-N 3.05Å; L804-M807 WeakPolarHBondContact O-CB 3.46Å; L804-M807 PolarHBondContact O-N 3.41Å; L804-W817 HydrophobicContact CB-CZ3 4.03Å
805	A	95	Very high	94.1	Very high	10 Å²	10	36.5 Å²	36.5	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-36.7	-178.5	0	0	0	0	0	113.1	W801 K802 K810 W817	W801-A805 VanDerWaalsContact O-CB 3.29Å; W801-A805 WeakPolarHBondContact O-CB 3.44Å; W801-A805 PolarHBondContact O-N 2.93Å; K802-A805 PolarHBondContact O-N 3.33Å; A805-K810 PolarHBondContact O-NZ 2.93Å; A805-W817 HydrophobicContact CB-CE3 4.15Å; A805-W817 VanDerWaalsContact CB-O 3.29Å; A805-W817 WeakPolarHBondContact CB-O 3.44Å
806	H	92.8	Very high	94	Very high	92 Å²	92	40.6 Å²	40.6	43%	0.426	21%	0.207	S	C	.	.	H	α-helix	trans	-90.8	-6.7	-179.1	-66.7	69.7	0	0	0	113.9	Y41 K802 G803 L804 Q808	Y41-H806 HydrophobicContact CE1-CB 3.72Å; Y41-H806 AromaticContact CE1-CG 3.59Å; Y41-H806 AromaticContact CE1-ND1 3.74Å; Y41-H806 AromaticContact CZ-CG 3.81Å; Y41-H806 WeakPolarHBondContact OH-CB 3.5Å; Y41-H806 VanDerWaalsContact OH-CG 3.28Å; K802-H806 VanDerWaalsContact CD-CE1 3.47Å; K802-H806 WeakPolarHBondContact CD-CE1 3.42Å; K802-H806 WeakPolarHBondContact CE-CE1 3.48Å; K802-H806 PolarHBondContact NZ-CE1 3.37Å; K802-H806 VanDerWaalsContact NZ-CE1 3.34Å; K802-H806 PolarHBondContact O-N 3.48Å; K802-H806 PolarHBondContact O-ND1 2.99Å; G803-H806 PolarHBondContact O-N 3.15Å; L804-H806 VanDerWaalsContact C-N 3.3Å; L804-H806 PolarHBondContact O-N 3.05Å; H806-Q808 PolarHBondContact O-N 3.49Å
807	M	91.4	Very high	93.8	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.034	21%	0.213	C	C	.	.			trans	-58.1	135.4	172	-172.3	-170.5	69.3	0	0	110.2	L703 R707 G803 L804 K810	L703-M807 HydrophobicContact CD1-SD 4.46Å; L703-M807 HydrophobicContact CD2-CE 4.36Å; L703-M807 HydrophobicContact CD2-SD 4.24Å; L703-M807 HydrophobicContact CG-CE 4.37Å; L703-M807 HydrophobicContact CG-SD 3.76Å; R707-M807 HydrophobicContact CB-CE 4.46Å; R707-M807 HydrophobicContact CB-CG 3.61Å; R707-M807 HydrophobicContact CB-SD 3.59Å; R707-M807 VanDerWaalsContact CB-SD 3.59Å; R707-M807 HydrophobicContact CG-CE 3.92Å; R707-M807 HydrophobicContact CG-CG 4.09Å; R707-M807 HydrophobicContact CG-SD 3.4Å; R707-M807 WeakPolarHBondContact CG-SD 3.29Å; G803-M807 PolarHBondContact O-N 3.04Å; L804-M807 WeakPolarHBondContact O-CB 3.46Å; L804-M807 PolarHBondContact O-N 3.41Å; M807-K810 HydrophobicContact CE-CG 3.64Å; M807-K810 PolarHBondContact O-NZ 3.25Å
808	Q	88.2	Confident	93.5	Very high	142 Å²	142	49.9 Å²	49.9	66%	0.664	25%	0.254	S	S	*	.	S	Bend	trans	-76.7	162.8	173.9	-65.5	-174.2	-16.3	0	0	111.1	H806 K810	H806-Q808 PolarHBondContact O-N 3.49Å; Q808-K810 VanDerWaalsContact C-N 3.34Å; Q808-K810 PolarHBondContact O-N 3.13Å
809	N	89.8	Confident	93.3	Very high	54 Å²	54	50.8 Å²	50.8	29%	0.289	26%	0.261	S	S	.	.	S	Bend	trans	59.1	40.6	172.6	-46.2	-43.6	0	0	0	113.9	R707 M712 P713	R707-N809 VanDerWaalsContact CD-O 3.28Å; R707-N809 WeakPolarHBondContact CD-O 3.49Å; R707-N809 PolarHBondContact NE-O 3.2Å; M712-N809 HydrophobicContact CE-CB 4.36Å; M712-N809 WeakPolarHBondContact CE-OD1 3.48Å; M712-N809 PolarHBondContact SD-OD1 3.3Å; P713-N809 HydrophobicContact CG-CB 3.68Å; P713-N809 WeakPolarHBondContact CG-O 3.43Å
810	K	92.8	Very high	93.1	Very high	72 Å²	72	52.5 Å²	52.5	31%	0.313	27%	0.271	S	S	.	.			trans	-63.9	139	172.2	-70.2	179.9	-69.9	-77.5	0	110.4	E779 A805 M807 Q808 W817	E779-K810 WeakPolarHBondContact OE1-CA 3.27Å; E779-K810 WeakPolarHBondContact OE1-CB 3.43Å; A805-K810 PolarHBondContact O-NZ 2.93Å; M807-K810 HydrophobicContact CE-CG 3.64Å; M807-K810 PolarHBondContact O-NZ 3.25Å; Q808-K810 VanDerWaalsContact C-N 3.34Å; Q808-K810 PolarHBondContact O-N 3.13Å; K810-W817 HydrophobicContact CD-CD2 3.65Å; K810-W817 HydrophobicContact CD-CE3 4.12Å; K810-W817 HydrophobicContact CD-CG 3.95Å; K810-W817 HydrophobicContact CD-CH2 4.39Å; K810-W817 HydrophobicContact CD-CZ2 3.99Å; K810-W817 HydrophobicContact CD-CZ3 4.46Å
811	L	93.2	Very high	93.1	Very high	45 Å²	45	52.4 Å²	52.4	24%	0.236	27%	0.27	C	S	.	.	S	Bend	trans	-94.2	-20.9	177.8	-68.9	178.5	0	0	0	112.9	P713 P715 A776 E779 P813	P713-L811 HydrophobicContact CB-CD1 4.06Å; P713-L811 HydrophobicContact CB-CD2 3.91Å; P713-L811 HydrophobicContact CB-CG 4.09Å; P713-L811 HydrophobicContact CG-CD2 4.04Å; P713-L811 HydrophobicContact CG-CG 4.34Å; P715-L811 HydrophobicContact CG-CD1 4.39Å; A776-L811 HydrophobicContact CB-CB 3.85Å; A776-L811 HydrophobicContact CB-CD1 4.16Å; E779-L811 VanDerWaalsContact CD-N 3.3Å; E779-L811 PolarHBondContact OE1-N 3.3Å; E779-L811 PolarHBondContact OE2-N 3.22Å; L811-P813 WeakPolarHBondContact O-CD 3.45Å
812	C	88.9	Confident	92.9	Very high	9 Å²	9	53.4 Å²	53.4	6%	0.061	28%	0.276	C	S	.	.			trans	-104.6	109.9	-172.7	-58.9	0	0	0	0	112.3	A776 E779 W817	A776-C812 PolarHBondContact O-SG 2.76Å; E779-C812 PolarHBondContact OE1-N 2.78Å; C812-W817 HydrophobicContact CB-CZ2 4.4Å; C812-W817 PolarHBondContact O-NE1 3.08Å
813	P	85.9	Confident	92.8	Very high	120 Å²	120	55.4 Å²	55.4	78%	0.779	29%	0.286	S	S	*	.			trans	-88.3	-11.4	-176	33.6	-36.4	0	0	0	114.9	L811	L811-P813 WeakPolarHBondContact O-CD 3.45Å
814	H	90.4	Very high	92.8	Very high	121 Å²	121	55.8 Å²	55.8	56%	0.56	29%	0.287	S	S	*	.	S	Bend	trans	-82.9	-15.8	-169.7	68.4	-93.2	0	0	0	114.5	D780	D780-H814 IonicContact OD1-CE1 2.82Å; D780-H814 PolarHBondContact OD1-CE1 3.23Å; D780-H814 IonicContact OD1-NE2 3.36Å; D780-H814 PolarHBondContact OD1-NE2 3.18Å; D780-H814 VanDerWaalsContact OD1-NE2 3.15Å; D780-H814 IonicContact OD2-CE1 3.5Å
815	H	93.4	Very high	92.8	Very high	19 Å²	19	60.1 Å²	60.1	9%	0.088	32%	0.317	C	S	.	.	S	Bend	trans	-78.2	143.5	172.7	-69	-58.9	0	0	0	110.2	D780 W801 W817	D780-H815 IonicContact OD1-CD2 3.67Å; D780-H815 IonicContact OD1-CE1 3.71Å; D780-H815 IonicContact OD1-NE2 2.83Å; D780-H815 PolarHBondContact OD1-NE2 3.04Å; W801-H815 HydrophobicContact CH2-CB 3.93Å; W801-H815 HydrophobicContact CZ2-CB 4.44Å; H815-W817 VanDerWaalsContact C-N 3.34Å; H815-W817 HydrophobicContact CB-CD2 4.09Å; H815-W817 HydrophobicContact CB-CH2 4.4Å; H815-W817 HydrophobicContact CB-CZ2 3.88Å; H815-W817 AromaticContact CD2-CZ2 3.83Å; H815-W817 VanDerWaalsContact O-CD1 3.31Å; H815-W817 PolarHBondContact O-N 3.04Å
816	N	94	Very high	92.9	Very high	89 Å²	89	60.3 Å²	60.3	48%	0.476	32%	0.316	S	S	.	.			trans	-83.1	81	174.6	-176	-3.4	0	0	0	109.9	D818 A819 Q824	N816-D818 PolarHBondContact O-N 2.67Å; N816-D818 VanDerWaalsContact O-N 3.13Å; N816-D818 PolarHBondContact OD1-N 3.44Å; N816-A819 HydrophobicContact CB-CB 4.25Å; N816-A819 WeakPolarHBondContact ND2-CB 3.44Å; N816-A819 PolarHBondContact O-N 3.49Å; N816-A819 PolarHBondContact OD1-N 2.97Å; N816-Q824 PolarHBondContact O-NE2 3.27Å
817	W	94.1	Very high	93.1	Very high	34 Å²	34	56.8 Å²	56.8	13%	0.129	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.9	-174.7	-62.7	110.1	0	0	0	114.7	A783 W801 L804 A805 K810 C812 H815	A783-W817 HydrophobicContact CB-CH2 3.77Å; A783-W817 HydrophobicContact CB-CZ3 4.44Å; W801-W817 HydrophobicContact CH2-CE3 4.14Å; W801-W817 AromaticContact CH2-CZ3 3.94Å; W801-W817 HydrophobicContact CH2-CZ3 3.94Å; W801-W817 AromaticContact CZ2-CE3 3.95Å; W801-W817 HydrophobicContact CZ2-CE3 3.95Å; W801-W817 HydrophobicContact CZ2-CZ3 4.18Å; W801-W817 HydrophobicContact CZ3-CZ3 4.13Å; L804-W817 HydrophobicContact CB-CZ3 4.03Å; A805-W817 HydrophobicContact CB-CE3 4.15Å; A805-W817 VanDerWaalsContact CB-O 3.29Å; A805-W817 WeakPolarHBondContact CB-O 3.44Å; K810-W817 HydrophobicContact CD-CD2 3.65Å; K810-W817 HydrophobicContact CD-CE3 4.12Å; K810-W817 HydrophobicContact CD-CG 3.95Å; K810-W817 HydrophobicContact CD-CH2 4.39Å; K810-W817 HydrophobicContact CD-CZ2 3.99Å; K810-W817 HydrophobicContact CD-CZ3 4.46Å; C812-W817 HydrophobicContact CB-CZ2 4.4Å; C812-W817 PolarHBondContact O-NE1 3.08Å; H815-W817 VanDerWaalsContact C-N 3.34Å; H815-W817 HydrophobicContact CB-CD2 4.09Å; H815-W817 HydrophobicContact CB-CH2 4.4Å; H815-W817 HydrophobicContact CB-CZ2 3.88Å; H815-W817 AromaticContact CD2-CZ2 3.83Å; H815-W817 VanDerWaalsContact O-CD1 3.31Å; H815-W817 PolarHBondContact O-N 3.04Å
818	D	92.4	Very high	93.2	Very high	160 Å²	160	65.1 Å²	65.1	86%	0.856	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-18.2	177.7	-62.9	-40.7	0	0	0	112.7	N816	N816-D818 PolarHBondContact O-N 2.67Å; N816-D818 VanDerWaalsContact O-N 3.13Å; N816-D818 PolarHBondContact OD1-N 3.44Å
819	A	93.5	Very high	93.5	Very high	20 Å²	20	60.5 Å²	60.5	17%	0.165	32%	0.317	C	S	.	.	S	Bend	trans	-93.2	148.7	178.6	0	0	0	0	0	112.3	W801 N816 H823 Q824	W801-A819 PolarHBondContact NE1-O 3.11Å; N816-A819 HydrophobicContact CB-CB 4.25Å; N816-A819 WeakPolarHBondContact ND2-CB 3.44Å; N816-A819 PolarHBondContact O-N 3.49Å; N816-A819 PolarHBondContact OD1-N 2.97Å; A819-H823 HydrophobicContact CB-CB 4.25Å; A819-Q824 PolarHBondContact O-NE2 3.12Å; A819-Q824 VanDerWaalsContact O-NE2 3.13Å
820	D	95.1	Very high	93.6	Very high	37 Å²	37	60.3 Å²	60.3	20%	0.198	32%	0.316	C	S	.	.			trans	-66	158.5	173.3	-69.2	-23.2	0	0	0	112	Q70 L822 H823 Q824	Q70-D820 PolarHBondContact NE2-OD2 3.41Å; D820-L822 VanDerWaalsContact C-N 3.3Å; D820-L822 PolarHBondContact O-N 3.43Å; D820-H823 WeakPolarHBondContact O-CB 3.5Å; D820-H823 PolarHBondContact O-N 2.81Å; D820-Q824 PolarHBondContact O-N 3.21Å
821	V	97.1	Very high	93.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-58.6	-37.9	-171.9	74.3	0	0	0	0	113.6	I787 A790 A797 S798 W801 H823 Q824	I787-V821 HydrophobicContact CG1-CG2 4.25Å; A790-V821 HydrophobicContact CB-CG1 3.88Å; A790-V821 HydrophobicContact CB-CG2 3.9Å; A797-V821 HydrophobicContact CB-CG1 4.3Å; S798-V821 WeakPolarHBondContact OG-CG1 3.39Å; W801-V821 HydrophobicContact CB-CB 3.64Å; W801-V821 HydrophobicContact CB-CG2 3.97Å; W801-V821 HydrophobicContact CD2-CB 4.13Å; W801-V821 HydrophobicContact CD2-CG2 4.06Å; W801-V821 HydrophobicContact CE3-CG2 4.11Å; W801-V821 HydrophobicContact CG-CB 3.64Å; W801-V821 HydrophobicContact CG-CG2 4.01Å; V821-H823 PolarHBondContact O-N 3.02Å; V821-Q824 WeakPolarHBondContact O-CB 3.2Å; V821-Q824 WeakPolarHBondContact O-CG 3.46Å; V821-Q824 PolarHBondContact O-N 3.43Å
822	L	95.1	Very high	93.2	Very high	24 Å²	24	63.7 Å²	63.7	13%	0.126	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-75.4	-12	-179.9	-69.3	173.4	0	0	0	113.2	I67 M117 A790 P794 D820	I67-L822 HydrophobicContact CB-CD1 4.41Å; I67-L822 HydrophobicContact CG1-CD1 4.02Å; I67-L822 HydrophobicContact CG2-CD1 3.8Å; M117-L822 HydrophobicContact SD-CD2 4.27Å; A790-L822 HydrophobicContact CB-CD2 3.85Å; P794-L822 HydrophobicContact CB-CD1 4.16Å; P794-L822 HydrophobicContact CB-CD2 4.46Å; D820-L822 VanDerWaalsContact C-N 3.3Å; D820-L822 PolarHBondContact O-N 3.43Å
823	H	94	Very high	93.1	Very high	102 Å²	102	66.8 Å²	66.8	47%	0.472	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-95.1	-4.3	171.8	-62.1	123.1	0	0	0	112.7	Q70 A819 D820 V821	Q70-H823 VanDerWaalsContact CD-CE1 3.41Å; Q70-H823 VanDerWaalsContact CG-CE1 3.48Å; Q70-H823 WeakPolarHBondContact CG-CE1 3.36Å; A819-H823 HydrophobicContact CB-CB 4.25Å; D820-H823 WeakPolarHBondContact O-CB 3.5Å; D820-H823 PolarHBondContact O-N 2.81Å; V821-H823 PolarHBondContact O-N 3.02Å
824	Q	96.1	Very high	92.8	Very high	10 Å²	10	66.7 Å²	66.7	5%	0.047	34%	0.343	C	S	.	.	S	Bend	trans	-66.1	145.2	171.7	-60.6	-56.7	-50.5	0	0	110	I787 W801 N816 A819 D820 V821	I787-Q824 HydrophobicContact CD1-CB 4.05Å; I787-Q824 HydrophobicContact CD1-CG 4.12Å; I787-Q824 HydrophobicContact CG1-CB 4.14Å; I787-Q824 HydrophobicContact CG1-CG 4.11Å; I787-Q824 HydrophobicContact CG2-CB 4.17Å; W801-Q824 HydrophobicContact CH2-CG 3.95Å; W801-Q824 HydrophobicContact CZ2-CG 3.63Å; N816-Q824 PolarHBondContact O-NE2 3.27Å; A819-Q824 PolarHBondContact O-NE2 3.12Å; A819-Q824 VanDerWaalsContact O-NE2 3.13Å; D820-Q824 PolarHBondContact O-N 3.21Å; V821-Q824 WeakPolarHBondContact O-CB 3.2Å; V821-Q824 WeakPolarHBondContact O-CG 3.46Å; V821-Q824 PolarHBondContact O-N 3.43Å
825	S	95.6	Very high	92.2	Very high	94 Å²	94	67.3 Å²	67.3	66%	0.657	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-64.8	142.6	165.4	-66.7	0	0	0	0	109.4	M117	M117-S825 CarbonylContact O-C 3.52Å; M117-S825 WeakPolarHBondContact O-CA 3.29Å
826	W	97.7	Very high	90.7	Very high	15 Å²	15	71 Å²	71	6%	0.057	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-57.2	134.3	172.4	-172.2	-98.8	0	0	0	109.9	F114 M117 R118 V740 T741 M788 P791	F114-W826 AromaticContact CD2-CD2 3.8Å; F114-W826 HydrophobicContact CD2-CD2 3.8Å; F114-W826 AromaticContact CD2-CE2 3.85Å; F114-W826 AromaticContact CD2-CE3 3.81Å; F114-W826 HydrophobicContact CD2-CE3 3.81Å; F114-W826 AromaticContact CD2-CH2 3.9Å; F114-W826 HydrophobicContact CD2-CH2 3.9Å; F114-W826 AromaticContact CD2-CZ2 3.89Å; F114-W826 HydrophobicContact CD2-CZ2 3.89Å; F114-W826 AromaticContact CD2-CZ3 3.88Å; F114-W826 HydrophobicContact CD2-CZ3 3.88Å; F114-W826 AromaticContact CE2-CD2 3.77Å; F114-W826 HydrophobicContact CE2-CD2 3.77Å; F114-W826 AromaticContact CE2-CE2 3.5Å; F114-W826 VanDerWaalsContact CE2-CE2 3.5Å; F114-W826 HydrophobicContact CE2-CE3 4.27Å; F114-W826 HydrophobicContact CE2-CG 4.21Å; F114-W826 HydrophobicContact CE2-CH2 4.24Å; F114-W826 AromaticContact CE2-CZ2 3.75Å; F114-W826 HydrophobicContact CE2-CZ2 3.75Å; F114-W826 HydrophobicContact CE2-CZ3 4.49Å; F114-W826 AromaticContact CE2-NE1 3.78Å; M117-W826 HydrophobicContact CB-CB 4.27Å; M117-W826 HydrophobicContact CB-CE3 4.35Å; M117-W826 HydrophobicContact CE-CE3 4.27Å; M117-W826 PolarHBondContact O-N 2.95Å; M117-W826 HydrophobicContact SD-CE3 4.41Å; R118-W826 HydrophobicContact CG-CB 3.73Å; R118-W826 HydrophobicContact CG-CG 4.02Å; V740-W826 HydrophobicContact CG1-CH2 4.33Å; V740-W826 HydrophobicContact CG1-CZ2 4.06Å; T741-W826 PolarHBondContact OG1-NE1 3.48Å; M788-W826 HydrophobicContact CB-CH2 3.91Å; M788-W826 HydrophobicContact CB-CZ2 4.45Å; M788-W826 HydrophobicContact CB-CZ3 4.42Å; M788-W826 HydrophobicContact CE-CZ2 4Å; M788-W826 HydrophobicContact CG-CH2 3.9Å; M788-W826 HydrophobicContact CG-CZ2 4.01Å; M788-W826 HydrophobicContact CG-CZ3 4.39Å; P791-W826 HydrophobicContact CG-CH2 4.49Å; P791-W826 HydrophobicContact CG-CZ3 3.74Å
827	P	96.8	Very high	89.2	Confident	17 Å²	17	70.3 Å²	70.3	11%	0.11	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-60	142.9	-174.9	-24.7	36.1	0	0	0	112	I737 T784 I787 M788	I737-P827 HydrophobicContact CD1-CB 3.82Å; I737-P827 HydrophobicContact CG1-CB 4Å; I737-P827 HydrophobicContact CG2-CB 4.4Å; I737-P827 WeakPolarHBondContact CG2-O 3.43Å; T784-P827 HydrophobicContact CG2-CB 3.98Å; T784-P827 HydrophobicContact CG2-CG 3.94Å; I787-P827 HydrophobicContact CB-CG 4.19Å; I787-P827 HydrophobicContact CG2-CG 3.86Å; M788-P827 HydrophobicContact CG-CG 3.96Å
828	K	93.7	Very high	88	Confident	182 Å²	182	75.4 Å²	75.4	79%	0.791	40%	0.404	S	S	*	.			trans	-106.4	149	175.9	-64.8	-178.3	-177.4	176.7	0	109.8	D830	K828-D830 PolarHBondContact O-N 2.98Å
829	I	93.4	Very high	87.1	Confident	46 Å²	46	70.9 Å²	70.9	24%	0.236	38%	0.382	C	S	.	.			trans	-63.1	132.6	170.6	-55.1	170.9	0	0	0	107.7	N734 I737 P831 Y833 L834	N734-I829 HydrophobicContact CB-CG2 4.29Å; I737-I829 HydrophobicContact CB-CG1 4.46Å; I737-I829 HydrophobicContact CG2-CG1 3.93Å; I829-P831 WeakPolarHBondContact O-CD 3.27Å; I829-Y833 HydrophobicContact CG2-CD1 3.69Å; I829-Y833 HydrophobicContact CG2-CG 4.33Å; I829-L834 HydrophobicContact CG2-CD1 4.34Å; I829-L834 HydrophobicContact CG2-CD2 4.03Å; I829-L834 HydrophobicContact CG2-CG 3.92Å
830	D	91.9	Very high	86.6	Confident	50 Å²	50	71.9 Å²	71.9	27%	0.267	38%	0.384	S	S	.	.			trans	-61.2	123.8	172.2	-167.5	-34.8	0	0	0	109.4	W730 N734 K828 E832 Y833	W730-D830 HydrophobicContact CZ2-CB 3.9Å; W730-D830 PolarHBondContact NE1-OD2 3.31Å; N734-D830 WeakPolarHBondContact OD1-CB 3.46Å; N734-D830 PolarHBondContact OD1-N 2.76Å; K828-D830 PolarHBondContact O-N 2.98Å; D830-E832 PolarHBondContact O-N 2.7Å; D830-E832 VanDerWaalsContact O-N 3.11Å; D830-E832 WeakPolarHBondContact OD1-CB 3.32Å; D830-E832 PolarHBondContact OD1-N 3.41Å; D830-Y833 VanDerWaalsContact O-CB 3.29Å; D830-Y833 WeakPolarHBondContact O-CB 3.4Å; D830-Y833 PolarHBondContact O-N 3.01Å
831	P	90.1	Very high	86.3	Confident	96 Å²	96	74.5 Å²	74.5	62%	0.623	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-54.2	-29.9	178.3	-27.1	35.6	0	0	0	113.9	I829 Y833 L834 Q835	I829-P831 WeakPolarHBondContact O-CD 3.27Å; P831-Y833 VanDerWaalsContact C-N 3.27Å; P831-Y833 PolarHBondContact O-N 3.38Å; P831-L834 PolarHBondContact O-N 3.09Å; P831-Q835 PolarHBondContact O-N 3.25Å
832	E	88.4	Confident	86	Confident	91 Å²	91	74.5 Å²	74.5	43%	0.425	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-64.1	-32.7	176.2	-169.2	-167.4	143.5	0	0	111.7	R727 W730 D830 L834 Q835	R727-E832 IonicContact CZ-OE1 3.25Å; R727-E832 VanDerWaalsContact CZ-OE1 3.25Å; R727-E832 IonicContact NH1-OE1 2.76Å; R727-E832 PolarHBondContact NH1-OE1 2.78Å; R727-E832 IonicContact NH2-OE1 2.78Å; R727-E832 PolarHBondContact NH2-OE1 2.84Å; W730-E832 HydrophobicContact CH2-CB 4.24Å; W730-E832 HydrophobicContact CH2-CG 4.3Å; W730-E832 HydrophobicContact CZ2-CB 4Å; W730-E832 HydrophobicContact CZ2-CG 4.43Å; D830-E832 PolarHBondContact O-N 2.7Å; D830-E832 VanDerWaalsContact O-N 3.11Å; D830-E832 WeakPolarHBondContact OD1-CB 3.32Å; D830-E832 PolarHBondContact OD1-N 3.41Å; E832-L834 VanDerWaalsContact C-N 3.25Å; E832-L834 PolarHBondContact O-N 3.36Å; E832-Q835 WeakPolarHBondContact O-CB 3.5Å; E832-Q835 PolarHBondContact O-N 3.14Å
833	Y	86.6	Confident	86	Confident	75 Å²	75	75.2 Å²	75.2	29%	0.294	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-66.9	-28.4	176.3	-179.8	-99.5	0	0	0	112.7	W730 E731 N734 I829 D830 P831 Q835	W730-Y833 HydrophobicContact CH2-CD2 4.19Å; W730-Y833 HydrophobicContact CH2-CG 4.46Å; W730-Y833 HydrophobicContact CZ3-CD2 4.05Å; E731-Y833 HydrophobicContact CB-CE2 4.28Å; N734-Y833 HydrophobicContact CB-CD1 3.7Å; N734-Y833 HydrophobicContact CB-CD2 3.68Å; N734-Y833 HydrophobicContact CB-CE1 4.1Å; N734-Y833 HydrophobicContact CB-CE2 4.1Å; N734-Y833 HydrophobicContact CB-CG 3.46Å; N734-Y833 VanDerWaalsContact CB-CG 3.46Å; I829-Y833 HydrophobicContact CG2-CD1 3.69Å; I829-Y833 HydrophobicContact CG2-CG 4.33Å; D830-Y833 VanDerWaalsContact O-CB 3.29Å; D830-Y833 WeakPolarHBondContact O-CB 3.4Å; D830-Y833 PolarHBondContact O-N 3.01Å; P831-Y833 VanDerWaalsContact C-N 3.27Å; P831-Y833 PolarHBondContact O-N 3.38Å; Y833-Q835 VanDerWaalsContact C-N 3.31Å
834	L	80.1	Confident	86.1	Confident	118 Å²	118	70.4 Å²	70.4	62%	0.618	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-83	-10.3	178.8	-62.6	175.5	0	0	0	112.8	I829 P831 E832	I829-L834 HydrophobicContact CG2-CD1 4.34Å; I829-L834 HydrophobicContact CG2-CD2 4.03Å; I829-L834 HydrophobicContact CG2-CG 3.92Å; P831-L834 PolarHBondContact O-N 3.09Å; E832-L834 VanDerWaalsContact C-N 3.25Å; E832-L834 PolarHBondContact O-N 3.36Å
835	Q	76.9	Confident	86.1	Confident	133 Å²	133	71.5 Å²	71.5	62%	0.621	39%	0.386	S	S	*	.	S	Bend	trans	-71	136	175	-63.5	-168.3	-8.5	0	0	109.4	P831 E832 Y833 S837	P831-Q835 PolarHBondContact O-N 3.25Å; E832-Q835 WeakPolarHBondContact O-CB 3.5Å; E832-Q835 PolarHBondContact O-N 3.14Å; Y833-Q835 VanDerWaalsContact C-N 3.31Å; Q835-S837 PolarHBondContact O-N 2.94Å
836	P	62.3	Low	86	Confident	98 Å²	98	67.7 Å²	67.7	64%	0.636	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-54.1	126.7	171.6	-19.5	29.9	0	0	0	108.8	D838	P836-D838 PolarHBondContact O-N 3.32Å
837	S	63	Low	85.8	Confident	73 Å²	73	69.3 Å²	69.3	51%	0.51	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-55.4	137.2	172	174.1	0	0	0	0	108.9	Q835 V839 Q858	Q835-S837 PolarHBondContact O-N 2.94Å; S837-V839 VanDerWaalsContact CB-O 3.27Å; S837-V839 WeakPolarHBondContact CB-O 3.49Å; S837-V839 PolarHBondContact O-N 3.14Å; S837-V839 PolarHBondContact OG-N 3.1Å; S837-V839 VanDerWaalsContact OG-N 3.14Å; S837-V839 PolarHBondContact OG-O 3.39Å; S837-Q858 WeakPolarHBondContact O-CB 3.37Å; S837-Q858 PolarHBondContact O-OE1 3.04Å
838	D	68.9	Low	85.5	Confident	142 Å²	142	74.1 Å²	74.1	76%	0.759	39%	0.392	S	S	*	.	S	Bend	trans	-64.5	-4.2	171.7	-67.7	-34.2	0	0	0	112.3	P836 P857 Q858	P836-D838 PolarHBondContact O-N 3.32Å; D838-P857 CarbonylContact O-C 3.57Å; D838-P857 VanDerWaalsContact O-CA 3.23Å; D838-P857 WeakPolarHBondContact O-CA 3.23Å; D838-Q858 PolarHBondContact O-N 2.83Å
839	V	73.7	Confident	85.4	Confident	65 Å²	65	72.8 Å²	72.8	39%	0.394	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.1	-175.1	-172.3	0	0	0	0	110.9	S837 V856	S837-V839 VanDerWaalsContact CB-O 3.27Å; S837-V839 WeakPolarHBondContact CB-O 3.49Å; S837-V839 PolarHBondContact O-N 3.14Å; S837-V839 PolarHBondContact OG-N 3.1Å; S837-V839 VanDerWaalsContact OG-N 3.14Å; S837-V839 PolarHBondContact OG-O 3.39Å; V839-V856 CarbonylContact C-O 3.52Å; V839-V856 WeakPolarHBondContact CA-O 3.33Å
840	I	81.4	Confident	85.3	Confident	41 Å²	41	75 Å²	75	21%	0.21	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.6	175.6	-70.9	175.4	0	0	0	109.7	M842 V856 Q858 A861 A896	I840-M842 PolarHBondContact O-N 3.45Å; I840-V856 PolarHBondContact N-O 2.76Å; I840-V856 PolarHBondContact O-N 3.42Å; I840-Q858 HydrophobicContact CD1-CB 4.41Å; I840-Q858 VanDerWaalsContact CD1-CD 3.48Å; I840-Q858 HydrophobicContact CD1-CG 4.24Å; I840-Q858 HydrophobicContact CG1-CB 4.45Å; I840-A861 HydrophobicContact CB-CB 4.06Å; I840-A861 HydrophobicContact CD1-CB 3.43Å; I840-A861 VanDerWaalsContact CD1-CB 3.43Å; I840-A861 HydrophobicContact CG1-CB 4.2Å; I840-A861 HydrophobicContact CG2-CB 4.37Å; I840-A896 HydrophobicContact CG2-CB 3.37Å
841	E	88.8	Confident	85.3	Confident	92 Å²	92	74.7 Å²	74.7	43%	0.43	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	97.8	170.3	-72.7	-63.5	130.7	0	0	111.1	S843 K853 S855	E841-S843 PolarHBondContact O-N 3.44Å; E841-K853 HydrophobicContact CB-CD 4.11Å; E841-K853 WeakPolarHBondContact OE2-CB 3.44Å; E841-S855 WeakPolarHBondContact OE1-CB 3.33Å; E841-S855 PolarHBondContact OE1-OG 3.33Å
842	M	91.8	Very high	85.4	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.4	179.8	-172.2	65.8	58.1	0	0	110.6	I840 V844 K853 V854 V856 A861 V867 L891 A896 L897 I898	I840-M842 PolarHBondContact O-N 3.45Å; M842-V844 PolarHBondContact O-N 2.56Å; M842-K853 CarbonylContact O-C 3.51Å; M842-K853 VanDerWaalsContact O-CA 3.26Å; M842-K853 WeakPolarHBondContact O-CA 3.35Å; M842-V854 WeakPolarHBondContact CB-O 3.33Å; M842-V854 PolarHBondContact N-O 3.38Å; M842-V854 PolarHBondContact O-N 3.08Å; M842-V856 HydrophobicContact CB-CB 4.44Å; M842-V856 HydrophobicContact CB-CG2 3.74Å; M842-V856 HydrophobicContact CG-CG2 4.44Å; M842-A861 HydrophobicContact CE-CB 4.21Å; M842-V867 HydrophobicContact CE-CG1 3.89Å; M842-V867 HydrophobicContact CE-CG2 3.91Å; M842-V867 HydrophobicContact CG-CG1 3.77Å; M842-V867 HydrophobicContact SD-CG1 4.06Å; M842-L891 HydrophobicContact CE-CD1 3.79Å; M842-L891 HydrophobicContact SD-CD1 3.59Å; M842-L891 VanDerWaalsContact SD-CD1 3.59Å; M842-A896 HydrophobicContact SD-CB 4.44Å; M842-L897 VanDerWaalsContact SD-C 3.53Å; M842-L897 VanDerWaalsContact SD-CA 3.57Å; M842-L897 PolarHBondContact SD-N 3.38Å; M842-I898 HydrophobicContact CG-CB 4.41Å; M842-I898 HydrophobicContact CG-CG2 3.89Å; M842-I898 HydrophobicContact SD-CB 4.49Å
843	S	95.3	Very high	85.6	Confident	39 Å²	39	73.8 Å²	73.8	27%	0.273	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127	176.4	-60	0	0	0	0	110.7	E841 A896 L897 I898	E841-S843 PolarHBondContact O-N 3.44Å; S843-A896 PolarHBondContact N-O 3.32Å; S843-L897 CarbonylContact O-C 3.53Å; S843-L897 VanDerWaalsContact O-CA 3.25Å; S843-L897 WeakPolarHBondContact O-CA 3.37Å; S843-I898 PolarHBondContact O-N 2.7Å
844	V	95.7	Very high	85.9	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.006	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121	-178.3	-173.8	0	0	0	0	110.3	M842 C851 G852 V854 V871 L876 I898 F900	M842-V844 PolarHBondContact O-N 2.56Å; V844-C851 PolarHBondContact O-N 3.1Å; V844-G852 PolarHBondContact N-O 3.42Å; V844-V854 HydrophobicContact CG2-CB 4.38Å; V844-V854 HydrophobicContact CG2-CG2 3.79Å; V844-V871 HydrophobicContact CB-CG1 4.48Å; V844-V871 HydrophobicContact CG1-CG1 3.89Å; V844-V871 HydrophobicContact CG2-CG1 3.72Å; V844-V871 HydrophobicContact CG2-CG2 3.91Å; V844-L876 HydrophobicContact CB-CD1 4.37Å; V844-L876 HydrophobicContact CB-CD2 3.96Å; V844-L876 HydrophobicContact CG1-CD2 3.73Å; V844-L876 HydrophobicContact CG2-CD2 4.41Å; V844-I898 WeakPolarHBondContact CA-O 3.4Å; V844-I898 HydrophobicContact CG2-CG2 4.11Å; V844-F900 HydrophobicContact CG1-CD2 4Å; V844-F900 HydrophobicContact CG1-CE2 4.08Å
845	L	96.4	Very high	86.2	Confident	33 Å²	33	68.6 Å²	68.6	17%	0.173	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.7	171	-66.6	162.7	0	0	0	110.1	K849 A850 L897 I898 N899 F900	L845-K849 CarbonylContact C-O 3.49Å; L845-K849 VanDerWaalsContact CA-O 3.24Å; L845-K849 WeakPolarHBondContact CA-O 3.03Å; L845-K849 VanDerWaalsContact CD2-C 3.5Å; L845-A850 HydrophobicContact CD2-CB 4.12Å; L845-L897 HydrophobicContact CD1-CD1 3.67Å; L845-L897 HydrophobicContact CD1-CD2 3.73Å; L845-L897 HydrophobicContact CD1-CG 3.89Å; L845-L897 HydrophobicContact CG-CD1 4.39Å; L845-L897 HydrophobicContact CG-CG 4.47Å; L845-I898 PolarHBondContact N-O 3.48Å; L845-N899 HydrophobicContact CB-CB 3.84Å; L845-N899 WeakPolarHBondContact CB-OD1 3.27Å; L845-N899 HydrophobicContact CD1-CB 4.07Å; L845-N899 CarbonylContact O-C 3.52Å; L845-N899 WeakPolarHBondContact O-CA 3.33Å; L845-N899 PolarHBondContact O-OD1 2.8Å; L845-F900 PolarHBondContact O-N 3.12Å
846	I	93.4	Very high	86.8	Confident	13 Å²	13	62.2 Å²	62.2	7%	0.067	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.7	169.3	-57.3	176.7	0	0	0	108.2	N848 K849 C851 H880 L881 F900 V902	I846-N848 PolarHBondContact O-N 3.18Å; I846-K849 PolarHBondContact N-O 3.46Å; I846-K849 WeakPolarHBondContact O-CB 3.49Å; I846-K849 PolarHBondContact O-N 2.8Å; I846-C851 HydrophobicContact CD1-CB 4.29Å; I846-C851 HydrophobicContact CG1-CB 4.4Å; I846-H880 HydrophobicContact CD1-CB 3.32Å; I846-L881 HydrophobicContact CD1-CD2 3.59Å; I846-L881 HydrophobicContact CD1-CG 3.95Å; I846-L881 HydrophobicContact CG1-CD2 3.96Å; I846-L881 HydrophobicContact CG2-CD2 4.43Å; I846-F900 CarbonylContact C-O 3.52Å; I846-F900 VanDerWaalsContact CA-O 3.29Å; I846-F900 WeakPolarHBondContact CA-O 3.31Å; I846-F900 HydrophobicContact CG1-CB 4.41Å; I846-V902 HydrophobicContact CG2-CB 4.46Å; I846-V902 HydrophobicContact CG2-CG1 4.16Å; I846-V902 HydrophobicContact CG2-CG2 3.48Å; I846-V902 VanDerWaalsContact CG2-CG2 3.48Å
847	N	92.2	Very high	87.9	Confident	50 Å²	50	59.8 Å²	59.8	27%	0.267	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	46	-171.4	-67.5	-14.4	0	0	0	111.8	K849 F900 L901 V902	N847-K849 PolarHBondContact O-N 2.85Å; N847-F900 PolarHBondContact N-O 3.4Å; N847-L901 WeakPolarHBondContact OD1-CA 3.34Å; N847-V902 PolarHBondContact ND2-O 3.28Å; N847-V902 VanDerWaalsContact ND2-O 3.12Å; N847-V902 PolarHBondContact OD1-N 3.29Å; N847-V902 PolarHBondContact OD1-O 3.1Å
848	N	91.4	Very high	88.7	Confident	117 Å²	117	60.6 Å²	60.6	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	11	-177	-54.6	-44.3	0	0	0	115.9	I846 N899	I846-N848 PolarHBondContact O-N 3.18Å; N848-N899 PolarHBondContact N-OD1 3.25Å; N848-N899 PolarHBondContact OD1-ND2 2.92Å
849	K	91.3	Very high	89.3	Confident	155 Å²	155	62.2 Å²	62.2	67%	0.674	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.7	175.8	-65.7	179.7	-179.9	173.1	0	110.9	L845 I846 N847 C851	L845-K849 CarbonylContact C-O 3.49Å; L845-K849 VanDerWaalsContact CA-O 3.24Å; L845-K849 WeakPolarHBondContact CA-O 3.03Å; L845-K849 VanDerWaalsContact CD2-C 3.5Å; I846-K849 PolarHBondContact N-O 3.46Å; I846-K849 WeakPolarHBondContact O-CB 3.49Å; I846-K849 PolarHBondContact O-N 2.8Å; N847-K849 PolarHBondContact O-N 2.85Å; K849-C851 PolarHBondContact O-N 2.76Å; K849-C851 PolarHBondContact O-SG 2.8Å
850	A	92.3	Very high	89.8	Confident	92 Å²	92	59.2 Å²	59.2	76%	0.76	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	123.5	-178.5	0	0	0	0	0	111.1	L845	L845-A850 HydrophobicContact CD2-CB 4.12Å
851	C	90.6	Very high	89.9	Confident	43 Å²	43	57.8 Å²	57.8	29%	0.291	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-18.4	-177.6	-65.2	0	0	0	0	113.2	V844 I846 K849 L876	V844-C851 PolarHBondContact O-N 3.1Å; I846-C851 HydrophobicContact CD1-CB 4.29Å; I846-C851 HydrophobicContact CG1-CB 4.4Å; K849-C851 PolarHBondContact O-N 2.76Å; K849-C851 PolarHBondContact O-SG 2.8Å; C851-L876 HydrophobicContact CB-CD2 4.08Å
852	G	91.8	Very high	89.8	Confident	36 Å²	36	64.7 Å²	64.7	37%	0.371	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-159.5	178.1	0	0	0	0	0	112.3	V844 L876	V844-G852 PolarHBondContact N-O 3.42Å; G852-L876 VanDerWaalsContact CA-CD1 3.49Å
853	K	93.4	Very high	89.7	Confident	133 Å²	133	67.1 Å²	67.1	58%	0.578	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.9	178.9	-58	-172.9	-178.1	-177.8	0	110.8	E841 M842	E841-K853 HydrophobicContact CB-CD 4.11Å; E841-K853 WeakPolarHBondContact OE2-CB 3.44Å; M842-K853 CarbonylContact O-C 3.51Å; M842-K853 VanDerWaalsContact O-CA 3.26Å; M842-K853 WeakPolarHBondContact O-CA 3.35Å
854	V	92.4	Very high	89.6	Confident	13 Å²	13	68.6 Å²	68.6	8%	0.079	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.2	176.1	176.7	0	0	0	0	108.7	M842 V844 V856 V871 S874 L876	M842-V854 WeakPolarHBondContact CB-O 3.33Å; M842-V854 PolarHBondContact N-O 3.38Å; M842-V854 PolarHBondContact O-N 3.08Å; V844-V854 HydrophobicContact CG2-CB 4.38Å; V844-V854 HydrophobicContact CG2-CG2 3.79Å; V854-V856 HydrophobicContact CG1-CG2 4.39Å; V854-V856 PolarHBondContact O-N 2.85Å; V854-V871 HydrophobicContact CB-CG2 4.01Å; V854-V871 HydrophobicContact CG1-CG2 4.19Å; V854-V871 HydrophobicContact CG2-CG1 4.42Å; V854-V871 HydrophobicContact CG2-CG2 4.1Å; V854-S874 WeakPolarHBondContact CG2-OG 3.38Å; V854-L876 HydrophobicContact CG2-CB 4.31Å
855	S	87.9	Confident	89.4	Confident	70 Å²	70	74.6 Å²	74.6	49%	0.49	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.4	175.9	-46.3	0	0	0	0	110.5	E841	E841-S855 WeakPolarHBondContact OE1-CB 3.33Å; E841-S855 PolarHBondContact OE1-OG 3.33Å
856	V	88.3	Confident	89.1	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.5	-177	173.9	0	0	0	0	109.8	V839 I840 M842 V854 Q858 A860 A861 V867 L870	V839-V856 CarbonylContact C-O 3.52Å; V839-V856 WeakPolarHBondContact CA-O 3.33Å; I840-V856 PolarHBondContact N-O 2.76Å; I840-V856 PolarHBondContact O-N 3.42Å; M842-V856 HydrophobicContact CB-CB 4.44Å; M842-V856 HydrophobicContact CB-CG2 3.74Å; M842-V856 HydrophobicContact CG-CG2 4.44Å; V854-V856 HydrophobicContact CG1-CG2 4.39Å; V854-V856 PolarHBondContact O-N 2.85Å; V856-Q858 PolarHBondContact O-N 2.92Å; V856-A860 HydrophobicContact CG1-CB 3.86Å; V856-A861 HydrophobicContact CG1-CB 4.36Å; V856-V867 HydrophobicContact CG1-CG2 3.97Å; V856-L870 HydrophobicContact CB-CD1 4.38Å; V856-L870 HydrophobicContact CG1-CD1 3.75Å; V856-L870 HydrophobicContact CG2-CB 4.43Å; V856-L870 HydrophobicContact CG2-CD1 4.29Å
857	P	86.7	Confident	89.1	Confident	47 Å²	47	76.4 Å²	76.4	31%	0.305	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	138.3	175.6	-26.1	35	0	0	0	112.7	D838 Q859 A860 A861	D838-P857 CarbonylContact O-C 3.57Å; D838-P857 VanDerWaalsContact O-CA 3.23Å; D838-P857 WeakPolarHBondContact O-CA 3.23Å; P857-Q859 HydrophobicContact CB-CG 4.07Å; P857-Q859 PolarHBondContact O-N 2.94Å; P857-A860 HydrophobicContact CB-CB 4.06Å; P857-A860 HydrophobicContact CG-CB 4.41Å; P857-A860 CarbonylContact O-C 3.5Å; P857-A860 WeakPolarHBondContact O-CA 3.27Å; P857-A860 WeakPolarHBondContact O-CB 3.32Å; P857-A860 PolarHBondContact O-N 2.82Å; P857-A861 PolarHBondContact O-N 3.18Å
858	Q	79.6	Confident	89.2	Confident	89 Å²	89	76.1 Å²	76.1	42%	0.416	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.8	-178.3	178.8	93.9	13.9	0	0	111.8	S837 D838 I840 V856 A860 A861	S837-Q858 WeakPolarHBondContact O-CB 3.37Å; S837-Q858 PolarHBondContact O-OE1 3.04Å; D838-Q858 PolarHBondContact O-N 2.83Å; I840-Q858 HydrophobicContact CD1-CB 4.41Å; I840-Q858 VanDerWaalsContact CD1-CD 3.48Å; I840-Q858 HydrophobicContact CD1-CG 4.24Å; I840-Q858 HydrophobicContact CG1-CB 4.45Å; V856-Q858 PolarHBondContact O-N 2.92Å; Q858-A860 VanDerWaalsContact C-N 3.3Å; Q858-A860 PolarHBondContact O-N 3.44Å; Q858-A861 PolarHBondContact O-N 2.82Å
859	Q	81.2	Confident	89.3	Confident	177 Å²	177	75.9 Å²	75.9	83%	0.827	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.6	175.2	63.6	-173.4	6.1	0	0	113.2	P857	P857-Q859 HydrophobicContact CB-CG 4.07Å; P857-Q859 PolarHBondContact O-N 2.94Å
860	A	84.4	Confident	89.4	Confident	2 Å²	2	71.2 Å²	71.2	2%	0.017	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-23.8	179.5	0	0	0	0	0	112.3	V856 P857 Q858 R862 N863 E866 V867 L870	V856-A860 HydrophobicContact CG1-CB 3.86Å; P857-A860 HydrophobicContact CB-CB 4.06Å; P857-A860 HydrophobicContact CG-CB 4.41Å; P857-A860 CarbonylContact O-C 3.5Å; P857-A860 WeakPolarHBondContact O-CA 3.27Å; P857-A860 WeakPolarHBondContact O-CB 3.32Å; P857-A860 PolarHBondContact O-N 2.82Å; Q858-A860 VanDerWaalsContact C-N 3.3Å; Q858-A860 PolarHBondContact O-N 3.44Å; A860-R862 PolarHBondContact O-N 2.89Å; A860-N863 WeakPolarHBondContact O-CB 3.25Å; A860-N863 PolarHBondContact O-N 2.86Å; A860-E866 WeakPolarHBondContact CA-OE2 3.13Å; A860-E866 HydrophobicContact CB-CB 4.03Å; A860-E866 WeakPolarHBondContact CB-OE2 3.3Å; A860-V867 VanDerWaalsContact O-CG2 3.27Å; A860-V867 WeakPolarHBondContact O-CG2 3.28Å; A860-L870 HydrophobicContact CB-CD1 4.36Å
861	A	83.4	Confident	89.5	Confident	11 Å²	11	66.8 Å²	66.8	9%	0.091	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.1	-168.4	0	0	0	0	0	115.6	I840 M842 V856 P857 Q858	I840-A861 HydrophobicContact CB-CB 4.06Å; I840-A861 HydrophobicContact CD1-CB 3.43Å; I840-A861 VanDerWaalsContact CD1-CB 3.43Å; I840-A861 HydrophobicContact CG1-CB 4.2Å; I840-A861 HydrophobicContact CG2-CB 4.37Å; M842-A861 HydrophobicContact CE-CB 4.21Å; V856-A861 HydrophobicContact CG1-CB 4.36Å; P857-A861 PolarHBondContact O-N 3.18Å; Q858-A861 PolarHBondContact O-N 2.82Å
862	R	85.6	Confident	89.6	Confident	236 Å²	236	67.6 Å²	67.6	89%	0.891	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-8.5	174	-64.3	-172.1	179	-174.9	0.7	113.6	A860	A860-R862 PolarHBondContact O-N 2.89Å
863	N	90.3	Very high	89.6	Confident	53 Å²	53	71.7 Å²	71.7	28%	0.283	34%	0.341	S	S	.	.			trans	-88.7	115.1	176.3	-176	-32.6	0	0	0	108.6	A860 E865 E866 V867	A860-N863 WeakPolarHBondContact O-CB 3.25Å; A860-N863 PolarHBondContact O-N 2.86Å; N863-E865 PolarHBondContact OD1-N 3.49Å; N863-E865 PolarHBondContact OD1-OE2 2.87Å; N863-E865 VanDerWaalsContact OD1-OE2 3.09Å; N863-E866 HydrophobicContact CB-CB 4.05Å; N863-E866 HydrophobicContact CB-CG 4.14Å; N863-E866 PolarHBondContact ND2-OE1 2.95Å; N863-E866 PolarHBondContact OD1-N 2.87Å; N863-V867 WeakPolarHBondContact O-CB 3.44Å; N863-V867 WeakPolarHBondContact O-CG2 3.24Å; N863-V867 PolarHBondContact O-N 2.76Å; N863-V867 VanDerWaalsContact O-N 3.07Å
864	F	92.4	Very high	89.5	Confident	69 Å²	69	66.3 Å²	66.3	30%	0.303	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-46.6	-177	169.2	-97.7	0	0	0	111.6	V867 H868 A889 L891 I898	F864-V867 PolarHBondContact O-N 3.09Å; F864-H868 HydrophobicContact CZ-CB 4.5Å; F864-H868 AromaticContact CZ-CD2 3.92Å; F864-H868 WeakPolarHBondContact O-CB 3.38Å; F864-H868 PolarHBondContact O-N 3.4Å; F864-A889 HydrophobicContact CE2-CB 3.94Å; F864-A889 WeakPolarHBondContact CE2-O 3.26Å; F864-A889 HydrophobicContact CZ-CB 3.89Å; F864-L891 HydrophobicContact CB-CB 4.49Å; F864-L891 HydrophobicContact CB-CD2 4.37Å; F864-L891 HydrophobicContact CD2-CB 3.75Å; F864-I898 HydrophobicContact CE2-CD1 4.36Å
865	E	91.7	Very high	89.4	Confident	127 Å²	127	74.1 Å²	74.1	59%	0.593	36%	0.356	S	S	*	.	H	α-helix	trans	-62.9	-46.5	-176.5	-69.2	73.3	-164.7	0	0	111.3	N863 H868 E869	N863-E865 PolarHBondContact OD1-N 3.49Å; N863-E865 PolarHBondContact OD1-OE2 2.87Å; N863-E865 VanDerWaalsContact OD1-OE2 3.09Å; E865-H868 PolarHBondContact O-N 2.92Å; E865-E869 WeakPolarHBondContact O-CB 3.45Å; E865-E869 PolarHBondContact O-N 3.43Å
866	E	90.9	Very high	89.5	Confident	85 Å²	85	71.9 Å²	71.9	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-44.8	179.2	-68.9	176.9	-143.3	0	0	111.8	A860 N863 H868 E869 L870	A860-E866 WeakPolarHBondContact CA-OE2 3.13Å; A860-E866 HydrophobicContact CB-CB 4.03Å; A860-E866 WeakPolarHBondContact CB-OE2 3.3Å; N863-E866 HydrophobicContact CB-CB 4.05Å; N863-E866 HydrophobicContact CB-CG 4.14Å; N863-E866 PolarHBondContact ND2-OE1 2.95Å; N863-E866 PolarHBondContact OD1-N 2.87Å; E866-H868 VanDerWaalsContact C-N 3.33Å; E866-H868 PolarHBondContact O-N 2.88Å; E866-E869 PolarHBondContact O-N 2.72Å; E866-L870 WeakPolarHBondContact O-CB 3.47Å; E866-L870 WeakPolarHBondContact O-CD1 3.42Å; E866-L870 WeakPolarHBondContact O-CG 3.36Å; E866-L870 PolarHBondContact O-N 3.21Å
867	V	93.1	Very high	89.6	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-43.1	176.6	174.4	0	0	0	0	110.7	M842 V856 A860 N863 F864 L870 V871 L891 I898	M842-V867 HydrophobicContact CE-CG1 3.89Å; M842-V867 HydrophobicContact CE-CG2 3.91Å; M842-V867 HydrophobicContact CG-CG1 3.77Å; M842-V867 HydrophobicContact SD-CG1 4.06Å; V856-V867 HydrophobicContact CG1-CG2 3.97Å; A860-V867 VanDerWaalsContact O-CG2 3.27Å; A860-V867 WeakPolarHBondContact O-CG2 3.28Å; N863-V867 WeakPolarHBondContact O-CB 3.44Å; N863-V867 WeakPolarHBondContact O-CG2 3.24Å; N863-V867 PolarHBondContact O-N 2.76Å; N863-V867 VanDerWaalsContact O-N 3.07Å; F864-V867 PolarHBondContact O-N 3.09Å; V867-L870 PolarHBondContact O-N 3.06Å; V867-V871 HydrophobicContact CG1-CG2 4.38Å; V867-V871 WeakPolarHBondContact O-CB 3.09Å; V867-V871 VanDerWaalsContact O-CG2 3.3Å; V867-V871 WeakPolarHBondContact O-CG2 3.3Å; V867-V871 PolarHBondContact O-N 3.24Å; V867-L891 HydrophobicContact CB-CD2 4.37Å; V867-L891 HydrophobicContact CG1-CD1 4.06Å; V867-L891 HydrophobicContact CG2-CD1 4.43Å; V867-L891 HydrophobicContact CG2-CD2 4.04Å; V867-I898 HydrophobicContact CG1-CB 4.21Å; V867-I898 HydrophobicContact CG1-CD1 3.88Å; V867-I898 HydrophobicContact CG1-CG2 4.22Å
868	H	94.2	Very high	89.9	Confident	44 Å²	44	73.9 Å²	73.9	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-46.9	179.9	-177.9	-86.6	0	0	0	110.9	F864 E865 E866 V871 L872 I898 F900	F864-H868 HydrophobicContact CZ-CB 4.5Å; F864-H868 AromaticContact CZ-CD2 3.92Å; F864-H868 WeakPolarHBondContact O-CB 3.38Å; F864-H868 PolarHBondContact O-N 3.4Å; E865-H868 PolarHBondContact O-N 2.92Å; E866-H868 VanDerWaalsContact C-N 3.33Å; E866-H868 PolarHBondContact O-N 2.88Å; H868-V871 PolarHBondContact O-N 3.46Å; H868-L872 VanDerWaalsContact CE1-CD1 3.41Å; H868-L872 WeakPolarHBondContact CE1-CD1 3.42Å; H868-L872 WeakPolarHBondContact O-CG 3.47Å; H868-L872 PolarHBondContact O-N 3.43Å; H868-I898 HydrophobicContact CB-CD1 4.21Å; H868-F900 AromaticContact CD2-CE1 3.37Å; H868-F900 WeakPolarHBondContact CD2-CE1 3.19Å; H868-F900 AromaticContact CD2-CZ 3.88Å; H868-F900 AromaticContact NE2-CE1 3.46Å; H868-F900 WeakPolarHBondContact NE2-CE1 3.47Å
869	E	93	Very high	90.5	Very high	112 Å²	112	77.1 Å²	77.1	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-46.8	177.7	-174.1	170.7	-172.3	0	0	112.4	E865 E866 V871 L872 Q873	E865-E869 WeakPolarHBondContact O-CB 3.45Å; E865-E869 PolarHBondContact O-N 3.43Å; E866-E869 PolarHBondContact O-N 2.72Å; E869-V871 VanDerWaalsContact C-N 3.28Å; E869-V871 PolarHBondContact O-N 3.07Å; E869-L872 PolarHBondContact O-N 3.47Å; E869-L872 VanDerWaalsContact O-N 3.14Å; E869-Q873 HydrophobicContact CG-CG 4.43Å; E869-Q873 VanDerWaalsContact CG-NE2 3.34Å; E869-Q873 WeakPolarHBondContact O-CG 3.44Å; E869-Q873 PolarHBondContact O-N 2.96Å; E869-Q873 PolarHBondContact OE1-NE2 3.26Å
870	L	93.4	Very high	90.9	Very high	56 Å²	56	71.1 Å²	71.1	29%	0.293	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-39	177.7	-73.9	168.3	0	0	0	112.2	V856 A860 E866 V867 S874	V856-L870 HydrophobicContact CB-CD1 4.38Å; V856-L870 HydrophobicContact CG1-CD1 3.75Å; V856-L870 HydrophobicContact CG2-CB 4.43Å; V856-L870 HydrophobicContact CG2-CD1 4.29Å; A860-L870 HydrophobicContact CB-CD1 4.36Å; E866-L870 WeakPolarHBondContact O-CB 3.47Å; E866-L870 WeakPolarHBondContact O-CD1 3.42Å; E866-L870 WeakPolarHBondContact O-CG 3.36Å; E866-L870 PolarHBondContact O-N 3.21Å; V867-L870 PolarHBondContact O-N 3.06Å; L870-S874 WeakPolarHBondContact O-CB 3.22Å; L870-S874 PolarHBondContact O-N 3.07Å; L870-S874 VanDerWaalsContact O-N 3.07Å
871	V	94.2	Very high	91.2	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-40.3	176.1	173.4	0	0	0	0	111.4	V844 V854 V867 H868 E869 Q873 S874 G877 L881 I898 F900	V844-V871 HydrophobicContact CB-CG1 4.48Å; V844-V871 HydrophobicContact CG1-CG1 3.89Å; V844-V871 HydrophobicContact CG2-CG1 3.72Å; V844-V871 HydrophobicContact CG2-CG2 3.91Å; V854-V871 HydrophobicContact CB-CG2 4.01Å; V854-V871 HydrophobicContact CG1-CG2 4.19Å; V854-V871 HydrophobicContact CG2-CG1 4.42Å; V854-V871 HydrophobicContact CG2-CG2 4.1Å; V867-V871 HydrophobicContact CG1-CG2 4.38Å; V867-V871 WeakPolarHBondContact O-CB 3.09Å; V867-V871 VanDerWaalsContact O-CG2 3.3Å; V867-V871 WeakPolarHBondContact O-CG2 3.3Å; V867-V871 PolarHBondContact O-N 3.24Å; H868-V871 PolarHBondContact O-N 3.46Å; E869-V871 VanDerWaalsContact C-N 3.28Å; E869-V871 PolarHBondContact O-N 3.07Å; V871-Q873 VanDerWaalsContact C-N 3.31Å; V871-Q873 PolarHBondContact O-N 2.85Å; V871-S874 WeakPolarHBondContact O-CB 3.2Å; V871-S874 PolarHBondContact O-N 3.33Å; V871-S874 PolarHBondContact O-OG 2.96Å; V871-G877 WeakPolarHBondContact O-CA 3.49Å; V871-G877 PolarHBondContact O-N 3.06Å; V871-L881 HydrophobicContact CG1-CD1 4.31Å; V871-I898 HydrophobicContact CG2-CG2 3.97Å; V871-F900 HydrophobicContact CB-CE2 4.19Å; V871-F900 HydrophobicContact CB-CZ 4.13Å; V871-F900 HydrophobicContact CG1-CE2 3.57Å; V871-F900 HydrophobicContact CG1-CZ 3.86Å
872	L	92.8	Very high	91.4	Very high	60 Å²	60	77.6 Å²	77.6	31%	0.314	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-36.1	176.3	-72.8	178.7	0	0	0	113.1	H868 E869 S874 L881 I886 F900	H868-L872 VanDerWaalsContact CE1-CD1 3.41Å; H868-L872 WeakPolarHBondContact CE1-CD1 3.42Å; H868-L872 WeakPolarHBondContact O-CG 3.47Å; H868-L872 PolarHBondContact O-N 3.43Å; E869-L872 PolarHBondContact O-N 3.47Å; E869-L872 VanDerWaalsContact O-N 3.14Å; L872-S874 VanDerWaalsContact C-N 3.34Å; L872-L881 HydrophobicContact CD2-CB 3.92Å; L872-L881 HydrophobicContact CD2-CD1 3.85Å; L872-I886 HydrophobicContact CD2-CD1 3.7Å; L872-F900 HydrophobicContact CD2-CE1 4.36Å
873	Q	92.6	Very high	91.4	Very high	121 Å²	121	70.6 Å²	70.6	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-80.8	-14.5	178.5	-67.1	177.1	3.8	0	0	113.3	E869 V871	E869-Q873 HydrophobicContact CG-CG 4.43Å; E869-Q873 VanDerWaalsContact CG-NE2 3.34Å; E869-Q873 WeakPolarHBondContact O-CG 3.44Å; E869-Q873 PolarHBondContact O-N 2.96Å; E869-Q873 PolarHBondContact OE1-NE2 3.26Å; V871-Q873 VanDerWaalsContact C-N 3.31Å; V871-Q873 PolarHBondContact O-N 2.85Å
874	S	92.2	Very high	91.3	Very high	21 Å²	21	74 Å²	74	15%	0.147	37%	0.369	C	S	.	.	S	Bend	trans	-69.4	159.1	176.5	77.1	0	0	0	0	112.3	V854 L870 V871 L872 L876 G877 I878	V854-S874 WeakPolarHBondContact CG2-OG 3.38Å; L870-S874 WeakPolarHBondContact O-CB 3.22Å; L870-S874 PolarHBondContact O-N 3.07Å; L870-S874 VanDerWaalsContact O-N 3.07Å; V871-S874 WeakPolarHBondContact O-CB 3.2Å; V871-S874 PolarHBondContact O-N 3.33Å; V871-S874 PolarHBondContact O-OG 2.96Å; L872-S874 VanDerWaalsContact C-N 3.34Å; S874-L876 PolarHBondContact O-N 3.12Å; S874-L876 VanDerWaalsContact O-N 3.12Å; S874-L876 PolarHBondContact OG-N 3.39Å; S874-G877 PolarHBondContact O-N 2.63Å; S874-G877 PolarHBondContact OG-N 2.83Å; S874-G877 VanDerWaalsContact OG-N 3.1Å; S874-I878 WeakPolarHBondContact O-CG1 3.29Å; S874-I878 PolarHBondContact O-N 3.45Å
875	E	89.2	Confident	91.2	Very high	176 Å²	176	75.2 Å²	75.2	82%	0.822	38%	0.383	S	S	*	.	H	α-helix	trans	-53.7	-33.9	172.4	-67.2	-175.4	173.3	0	0	112.5	K879	E875-K879 WeakPolarHBondContact O-CB 3.24Å; E875-K879 PolarHBondContact O-N 3.47Å
876	L	91.1	Very high	91.3	Very high	24 Å²	24	71.6 Å²	71.6	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-70.3	-43.6	178.7	-166.3	159	0	0	0	111.2	V844 C851 G852 V854 S874 K879 H880	V844-L876 HydrophobicContact CB-CD1 4.37Å; V844-L876 HydrophobicContact CB-CD2 3.96Å; V844-L876 HydrophobicContact CG1-CD2 3.73Å; V844-L876 HydrophobicContact CG2-CD2 4.41Å; C851-L876 HydrophobicContact CB-CD2 4.08Å; G852-L876 VanDerWaalsContact CA-CD1 3.49Å; V854-L876 HydrophobicContact CG2-CB 4.31Å; S874-L876 PolarHBondContact O-N 3.12Å; S874-L876 VanDerWaalsContact O-N 3.12Å; S874-L876 PolarHBondContact OG-N 3.39Å; L876-K879 PolarHBondContact O-N 3.1Å; L876-H880 WeakPolarHBondContact O-CB 3.47Å; L876-H880 PolarHBondContact O-CD2 3.37Å; L876-H880 PolarHBondContact O-N 3.38Å
877	G	90.1	Very high	91.3	Very high	1 Å²	1	74.2 Å²	74.2	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-64.2	-45.3	174.5	0	0	0	0	0	112.3	V871 S874 K879 H880 L881 Q882	V871-G877 WeakPolarHBondContact O-CA 3.49Å; V871-G877 PolarHBondContact O-N 3.06Å; S874-G877 PolarHBondContact O-N 2.63Å; S874-G877 PolarHBondContact OG-N 2.83Å; S874-G877 VanDerWaalsContact OG-N 3.1Å; G877-K879 VanDerWaalsContact C-N 3.3Å; G877-K879 PolarHBondContact O-N 2.94Å; G877-H880 PolarHBondContact O-N 3.42Å; G877-L881 CarbonylContact O-C 3.55Å; G877-L881 WeakPolarHBondContact O-CA 3.38Å; G877-L881 WeakPolarHBondContact O-CB 3.19Å; G877-L881 PolarHBondContact O-N 2.83Å; G877-Q882 PolarHBondContact O-N 2.86Å
878	I	92.1	Very high	91.2	Very high	87 Å²	87	79.8 Å²	79.8	45%	0.446	40%	0.401	S	S	.	.	H	α-helix	trans	-55.7	-47.4	173.9	-69.6	171.2	0	0	0	110.3	S874 Q882	S874-I878 WeakPolarHBondContact O-CG1 3.29Å; S874-I878 PolarHBondContact O-N 3.45Å; I878-Q882 WeakPolarHBondContact O-CB 3.38Å; I878-Q882 PolarHBondContact O-OE1 2.83Å
879	K	91.7	Very high	91.1	Very high	158 Å²	158	78.4 Å²	78.4	69%	0.687	40%	0.397	S	S	*	.	H	α-helix	trans	-70.8	-39.3	-177.2	-177.5	177.3	175.3	-173.7	0	114	E875 L876 G877	E875-K879 WeakPolarHBondContact O-CB 3.24Å; E875-K879 PolarHBondContact O-N 3.47Å; L876-K879 PolarHBondContact O-N 3.1Å; G877-K879 VanDerWaalsContact C-N 3.3Å; G877-K879 PolarHBondContact O-N 2.94Å
880	H	90.3	Very high	91.2	Very high	51 Å²	51	77.2 Å²	77.2	24%	0.236	39%	0.391	C	S	.	.	H	α-helix	trans	-113.9	-18.5	-166.1	-66.9	-78.2	0	0	0	115.2	I846 L876 G877 R884	I846-H880 HydrophobicContact CD1-CB 3.32Å; L876-H880 WeakPolarHBondContact O-CB 3.47Å; L876-H880 PolarHBondContact O-CD2 3.37Å; L876-H880 PolarHBondContact O-N 3.38Å; G877-H880 PolarHBondContact O-N 3.42Å; H880-R884 VanDerWaalsContact O-CD 3.31Å; H880-R884 WeakPolarHBondContact O-CD 3.37Å; H880-R884 PolarHBondContact O-NE 2.91Å
881	L	90.1	Very high	91.2	Very high	4 Å²	4	76.1 Å²	76.1	2%	0.021	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-25.6	-175.4	-60.3	173.9	0	0	0	112.8	I846 V871 L872 G877 G883 R884 F900 V902	I846-L881 HydrophobicContact CD1-CD2 3.59Å; I846-L881 HydrophobicContact CD1-CG 3.95Å; I846-L881 HydrophobicContact CG1-CD2 3.96Å; I846-L881 HydrophobicContact CG2-CD2 4.43Å; V871-L881 HydrophobicContact CG1-CD1 4.31Å; L872-L881 HydrophobicContact CD2-CB 3.92Å; L872-L881 HydrophobicContact CD2-CD1 3.85Å; G877-L881 CarbonylContact O-C 3.55Å; G877-L881 WeakPolarHBondContact O-CA 3.38Å; G877-L881 WeakPolarHBondContact O-CB 3.19Å; G877-L881 PolarHBondContact O-N 2.83Å; L881-G883 PolarHBondContact O-N 3.36Å; L881-R884 PolarHBondContact O-N 3.26Å; L881-R884 VanDerWaalsContact O-N 3.1Å; L881-F900 HydrophobicContact CD1-CB 4.47Å; L881-F900 HydrophobicContact CD1-CD1 3.82Å; L881-F900 HydrophobicContact CD1-CD2 3.77Å; L881-F900 HydrophobicContact CD1-CE1 3.87Å; L881-F900 HydrophobicContact CD1-CE2 3.86Å; L881-F900 HydrophobicContact CD1-CG 3.76Å; L881-F900 HydrophobicContact CD1-CZ 3.91Å; L881-F900 HydrophobicContact CD2-CB 3.8Å; L881-F900 HydrophobicContact CD2-CD1 4.29Å; L881-F900 HydrophobicContact CD2-CG 3.99Å; L881-V902 HydrophobicContact CD2-CG1 3.61Å
882	Q	89	Confident	91	Very high	144 Å²	144	77.7 Å²	77.7	67%	0.673	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	130.4	179.8	-164.7	178.5	17.6	0	0	111.6	G877 I878 R884	G877-Q882 PolarHBondContact O-N 2.86Å; I878-Q882 WeakPolarHBondContact O-CB 3.38Å; I878-Q882 PolarHBondContact O-OE1 2.83Å; Q882-R884 PolarHBondContact O-N 3.29Å
883	G	84	Confident	90.3	Very high	90 Å²	90	81 Å²	81	93%	0.928	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	0.3	-179	0	0	0	0	0	115	L881	L881-G883 PolarHBondContact O-N 3.36Å
884	R	89.5	Confident	89.5	Confident	124 Å²	124	86.4 Å²	86.4	47%	0.468	44%	0.436	S	S	.	.	S	Bend	trans	-98	146.6	175.1	-59.1	-167.8	-175.7	-158.8	-2.2	111.4	H880 L881 Q882 I886	H880-R884 VanDerWaalsContact O-CD 3.31Å; H880-R884 WeakPolarHBondContact O-CD 3.37Å; H880-R884 PolarHBondContact O-NE 2.91Å; L881-R884 PolarHBondContact O-N 3.26Å; L881-R884 VanDerWaalsContact O-N 3.1Å; Q882-R884 PolarHBondContact O-N 3.29Å; R884-I886 PolarHBondContact O-N 2.97Å
885	T	89.8	Confident	89.1	Confident	95 Å²	95	89.4 Å²	89.4	58%	0.583	45%	0.453	S	S	*	.			trans	-79.3	107	173.9	-54.2	0	0	0	0	110	K887 Q903	T885-K887 PolarHBondContact O-N 2.97Å; T885-Q903 PolarHBondContact O-N 3.39Å
886	I	93.1	Very high	89.1	Confident	51 Å²	51	82.9 Å²	82.9	26%	0.262	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.2	173.8	-57	168.9	0	0	0	108	L872 R884 F900 V902	L872-I886 HydrophobicContact CD2-CD1 3.7Å; R884-I886 PolarHBondContact O-N 2.97Å; I886-F900 HydrophobicContact CD1-CD1 3.95Å; I886-F900 HydrophobicContact CD1-CE1 4.21Å; I886-F900 HydrophobicContact CG1-CD1 4.45Å; I886-F900 HydrophobicContact CG2-CD1 3.96Å; I886-V902 HydrophobicContact CG1-CG1 4.07Å
887	K	91.1	Very high	89.3	Confident	139 Å²	139	84 Å²	84	60%	0.604	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	-36.9	177.4	-69.8	-171.5	175.4	-179.3	0	111.8	T885 L901 Q903	T885-K887 PolarHBondContact O-N 2.97Å; K887-L901 PolarHBondContact N-O 3.36Å; K887-Q903 VanDerWaalsContact CE-CD 3.49Å; K887-Q903 VanDerWaalsContact CE-OE1 3.27Å
888	K	91.6	Very high	89.6	Confident	118 Å²	118	84 Å²	84	51%	0.513	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	148.9	-179.3	-159.4	158.8	177.8	-173.7	0	110.7	F890 L901	K888-F890 HydrophobicContact CB-CE2 4.05Å; K888-F890 HydrophobicContact CB-CZ 4.37Å; K888-F890 HydrophobicContact CD-CE1 3.84Å; K888-F890 HydrophobicContact CD-CE2 3.84Å; K888-F890 HydrophobicContact CD-CZ 3.28Å; K888-F890 HydrophobicContact CG-CD2 4.34Å; K888-F890 HydrophobicContact CG-CE1 4.17Å; K888-F890 HydrophobicContact CG-CE2 3.7Å; K888-F890 HydrophobicContact CG-CZ 3.64Å; K888-L901 HydrophobicContact CB-CB 4.37Å; K888-L901 HydrophobicContact CB-CD1 4.44Å; K888-L901 PolarHBondContact N-O 3.39Å; K888-L901 PolarHBondContact O-N 2.94Å
889	A	93.1	Very high	89.8	Confident	15 Å²	15	80.5 Å²	80.5	12%	0.124	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.9	168	0	0	0	0	0	110.2	F864 N899 F900	F864-A889 HydrophobicContact CE2-CB 3.94Å; F864-A889 WeakPolarHBondContact CE2-O 3.26Å; F864-A889 HydrophobicContact CZ-CB 3.89Å; A889-N899 CarbonylContact C-O 3.59Å; A889-N899 VanDerWaalsContact CA-O 3.24Å; A889-N899 WeakPolarHBondContact CA-O 3.34Å; A889-F900 HydrophobicContact CB-CD1 3.73Å; A889-F900 HydrophobicContact CB-CE1 3.91Å; A889-F900 HydrophobicContact CB-CG 4.33Å
890	F	93.9	Very high	90	Very high	87 Å²	87	73 Å²	73	38%	0.382	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	118.9	-177.7	-57.1	-92.6	0	0	0	110.1	K888 I898 N899 L901	K888-F890 HydrophobicContact CB-CE2 4.05Å; K888-F890 HydrophobicContact CB-CZ 4.37Å; K888-F890 HydrophobicContact CD-CE1 3.84Å; K888-F890 HydrophobicContact CD-CE2 3.84Å; K888-F890 HydrophobicContact CD-CZ 3.28Å; K888-F890 HydrophobicContact CG-CD2 4.34Å; K888-F890 HydrophobicContact CG-CE1 4.17Å; K888-F890 HydrophobicContact CG-CE2 3.7Å; K888-F890 HydrophobicContact CG-CZ 3.64Å; F890-I898 CarbonylContact O-C 3.58Å; F890-I898 VanDerWaalsContact O-CA 3.28Å; F890-I898 WeakPolarHBondContact O-CA 3.1Å; F890-N899 PolarHBondContact N-O 3.28Å; F890-N899 PolarHBondContact O-N 2.99Å; F890-L901 HydrophobicContact CE2-CD1 3.66Å; F890-L901 HydrophobicContact CE2-CG 3.99Å; F890-L901 HydrophobicContact CZ-CD1 4.42Å
891	L	94.6	Very high	90.2	Very high	33 Å²	33	73.1 Å²	73.1	17%	0.173	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130.6	166.4	178.6	62.3	0	0	0	109.2	M842 F864 V867 L897 I898	M842-L891 HydrophobicContact CE-CD1 3.79Å; M842-L891 HydrophobicContact SD-CD1 3.59Å; M842-L891 VanDerWaalsContact SD-CD1 3.59Å; F864-L891 HydrophobicContact CB-CB 4.49Å; F864-L891 HydrophobicContact CB-CD2 4.37Å; F864-L891 HydrophobicContact CD2-CB 3.75Å; V867-L891 HydrophobicContact CB-CD2 4.37Å; V867-L891 HydrophobicContact CG1-CD1 4.06Å; V867-L891 HydrophobicContact CG2-CD1 4.43Å; V867-L891 HydrophobicContact CG2-CD2 4.04Å; L891-L897 VanDerWaalsContact CD1-O 3.3Å; L891-L897 WeakPolarHBondContact CD1-O 3.36Å; L891-I898 HydrophobicContact CD1-CB 4.24Å
892	S	89.9	Confident	90.2	Very high	32 Å²	32	73.2 Å²	73.2	22%	0.224	39%	0.388	C	S	.	.			trans	-72.1	130.5	177.2	171.7	0	0	0	0	110.3	R894 T895 L897	S892-R894 PolarHBondContact O-N 3.44Å; S892-R894 PolarHBondContact OG-N 3.14Å; S892-T895 VanDerWaalsContact CB-O 3.27Å; S892-T895 WeakPolarHBondContact CB-O 3.32Å; S892-T895 WeakPolarHBondContact CB-OG1 3.46Å; S892-T895 PolarHBondContact OG-N 3.03Å; S892-T895 VanDerWaalsContact OG-N 3.08Å; S892-T895 PolarHBondContact OG-O 2.89Å; S892-T895 PolarHBondContact OG-OG1 2.75Å; S892-L897 WeakPolarHBondContact CB-O 3.41Å; S892-L897 PolarHBondContact N-O 3.42Å
893	P	78.1	Confident	89.9	Confident	129 Å²	129	71.2 Å²	71.2	84%	0.838	38%	0.378	S	S	*	.	S	Bend	trans	-78.8	-9.4	177	31.1	-33.8	0	0	0	112.9
894	R	75.3	Confident	88.9	Confident	235 Å²	235	77.6 Å²	77.6	89%	0.887	38%	0.384	S	S	*	.	S	Bend	trans	-115.5	-22.5	-173.5	-66.1	-177	-176.8	174.9	0.8	113.9	S892	S892-R894 PolarHBondContact O-N 3.44Å; S892-R894 PolarHBondContact OG-N 3.14Å
895	T	82.6	Confident	88.8	Confident	84 Å²	84	75.3 Å²	75.3	52%	0.515	38%	0.38	S	S	.	.	S	Bend	trans	-137.1	150.2	-174.6	52.9	0	0	0	0	109.6	S892 L897	S892-T895 VanDerWaalsContact CB-O 3.27Å; S892-T895 WeakPolarHBondContact CB-O 3.32Å; S892-T895 WeakPolarHBondContact CB-OG1 3.46Å; S892-T895 PolarHBondContact OG-N 3.03Å; S892-T895 VanDerWaalsContact OG-N 3.08Å; S892-T895 PolarHBondContact OG-O 2.89Å; S892-T895 PolarHBondContact OG-OG1 2.75Å; T895-L897 PolarHBondContact O-N 2.8Å
896	A	89.6	Confident	88.8	Confident	39 Å²	39	74.2 Å²	74.2	32%	0.322	37%	0.369	S	S	.	.	S	Bend	trans	-71.7	77.7	175.9	0	0	0	0	0	110.5	I840 M842 S843	I840-A896 HydrophobicContact CG2-CB 3.37Å; M842-A896 HydrophobicContact SD-CB 4.44Å; S843-A896 PolarHBondContact N-O 3.32Å
897	L	95.1	Very high	88.5	Confident	48 Å²	48	75.5 Å²	75.5	25%	0.251	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	135.2	-174.3	176.3	157.6	0	0	0	111.9	M842 S843 L845 L891 S892 T895 N899	M842-L897 VanDerWaalsContact SD-C 3.53Å; M842-L897 VanDerWaalsContact SD-CA 3.57Å; M842-L897 PolarHBondContact SD-N 3.38Å; S843-L897 CarbonylContact O-C 3.53Å; S843-L897 VanDerWaalsContact O-CA 3.25Å; S843-L897 WeakPolarHBondContact O-CA 3.37Å; L845-L897 HydrophobicContact CD1-CD1 3.67Å; L845-L897 HydrophobicContact CD1-CD2 3.73Å; L845-L897 HydrophobicContact CD1-CG 3.89Å; L845-L897 HydrophobicContact CG-CD1 4.39Å; L845-L897 HydrophobicContact CG-CG 4.47Å; L891-L897 VanDerWaalsContact CD1-O 3.3Å; L891-L897 WeakPolarHBondContact CD1-O 3.36Å; S892-L897 WeakPolarHBondContact CB-O 3.41Å; S892-L897 PolarHBondContact N-O 3.42Å; T895-L897 PolarHBondContact O-N 2.8Å; L897-N899 HydrophobicContact CD2-CB 4.4Å
898	I	96.6	Very high	88.4	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.6	168.8	-170.4	166.8	0	0	0	110.3	M842 S843 V844 L845 F864 V867 H868 V871 F890 L891 F900	M842-I898 HydrophobicContact CG-CB 4.41Å; M842-I898 HydrophobicContact CG-CG2 3.89Å; M842-I898 HydrophobicContact SD-CB 4.49Å; S843-I898 PolarHBondContact O-N 2.7Å; V844-I898 WeakPolarHBondContact CA-O 3.4Å; V844-I898 HydrophobicContact CG2-CG2 4.11Å; L845-I898 PolarHBondContact N-O 3.48Å; F864-I898 HydrophobicContact CE2-CD1 4.36Å; V867-I898 HydrophobicContact CG1-CB 4.21Å; V867-I898 HydrophobicContact CG1-CD1 3.88Å; V867-I898 HydrophobicContact CG1-CG2 4.22Å; H868-I898 HydrophobicContact CB-CD1 4.21Å; V871-I898 HydrophobicContact CG2-CG2 3.97Å; F890-I898 CarbonylContact O-C 3.58Å; F890-I898 VanDerWaalsContact O-CA 3.28Å; F890-I898 WeakPolarHBondContact O-CA 3.1Å; L891-I898 HydrophobicContact CD1-CB 4.24Å; I898-F900 HydrophobicContact CB-CE2 4.42Å; I898-F900 HydrophobicContact CD1-CE2 3.93Å; I898-F900 HydrophobicContact CD1-CZ 3.8Å; I898-F900 HydrophobicContact CG1-CD2 4.43Å; I898-F900 HydrophobicContact CG1-CE2 3.86Å; I898-F900 HydrophobicContact CG1-CZ 4.22Å; I898-F900 HydrophobicContact CG2-CE2 3.77Å
899	N	96.3	Very high	88.2	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.08	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.4	-178.5	-176.4	25.4	0	0	0	111.1	L845 N848 A889 F890 L897	L845-N899 HydrophobicContact CB-CB 3.84Å; L845-N899 WeakPolarHBondContact CB-OD1 3.27Å; L845-N899 HydrophobicContact CD1-CB 4.07Å; L845-N899 CarbonylContact O-C 3.52Å; L845-N899 WeakPolarHBondContact O-CA 3.33Å; L845-N899 PolarHBondContact O-OD1 2.8Å; N848-N899 PolarHBondContact N-OD1 3.25Å; N848-N899 PolarHBondContact OD1-ND2 2.92Å; A889-N899 CarbonylContact C-O 3.59Å; A889-N899 VanDerWaalsContact CA-O 3.24Å; A889-N899 WeakPolarHBondContact CA-O 3.34Å; F890-N899 PolarHBondContact N-O 3.28Å; F890-N899 PolarHBondContact O-N 2.99Å; L897-N899 HydrophobicContact CD2-CB 4.4Å
900	F	96.1	Very high	87.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.1	178	-66.9	-96	0	0	0	110.2	V844 L845 I846 N847 H868 V871 L872 L881 I886 A889 I898 V902	V844-F900 HydrophobicContact CG1-CD2 4Å; V844-F900 HydrophobicContact CG1-CE2 4.08Å; L845-F900 PolarHBondContact O-N 3.12Å; I846-F900 CarbonylContact C-O 3.52Å; I846-F900 VanDerWaalsContact CA-O 3.29Å; I846-F900 WeakPolarHBondContact CA-O 3.31Å; I846-F900 HydrophobicContact CG1-CB 4.41Å; N847-F900 PolarHBondContact N-O 3.4Å; H868-F900 AromaticContact CD2-CE1 3.37Å; H868-F900 WeakPolarHBondContact CD2-CE1 3.19Å; H868-F900 AromaticContact CD2-CZ 3.88Å; H868-F900 AromaticContact NE2-CE1 3.46Å; H868-F900 WeakPolarHBondContact NE2-CE1 3.47Å; V871-F900 HydrophobicContact CB-CE2 4.19Å; V871-F900 HydrophobicContact CB-CZ 4.13Å; V871-F900 HydrophobicContact CG1-CE2 3.57Å; V871-F900 HydrophobicContact CG1-CZ 3.86Å; L872-F900 HydrophobicContact CD2-CE1 4.36Å; L881-F900 HydrophobicContact CD1-CB 4.47Å; L881-F900 HydrophobicContact CD1-CD1 3.82Å; L881-F900 HydrophobicContact CD1-CD2 3.77Å; L881-F900 HydrophobicContact CD1-CE1 3.87Å; L881-F900 HydrophobicContact CD1-CE2 3.86Å; L881-F900 HydrophobicContact CD1-CG 3.76Å; L881-F900 HydrophobicContact CD1-CZ 3.91Å; L881-F900 HydrophobicContact CD2-CB 3.8Å; L881-F900 HydrophobicContact CD2-CD1 4.29Å; L881-F900 HydrophobicContact CD2-CG 3.99Å; I886-F900 HydrophobicContact CD1-CD1 3.95Å; I886-F900 HydrophobicContact CD1-CE1 4.21Å; I886-F900 HydrophobicContact CG1-CD1 4.45Å; I886-F900 HydrophobicContact CG2-CD1 3.96Å; A889-F900 HydrophobicContact CB-CD1 3.73Å; A889-F900 HydrophobicContact CB-CE1 3.91Å; A889-F900 HydrophobicContact CB-CG 4.33Å; I898-F900 HydrophobicContact CB-CE2 4.42Å; I898-F900 HydrophobicContact CD1-CE2 3.93Å; I898-F900 HydrophobicContact CD1-CZ 3.8Å; I898-F900 HydrophobicContact CG1-CD2 4.43Å; I898-F900 HydrophobicContact CG1-CE2 3.86Å; I898-F900 HydrophobicContact CG1-CZ 4.22Å; I898-F900 HydrophobicContact CG2-CE2 3.77Å; F900-V902 HydrophobicContact CB-CG1 4.36Å
901	L	94.1	Very high	87.4	Confident	53 Å²	53	71.4 Å²	71.4	28%	0.277	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	107.8	167.3	-60.2	-172.4	0	0	0	108.6	N847 K887 K888 F890	N847-L901 WeakPolarHBondContact OD1-CA 3.34Å; K887-L901 PolarHBondContact N-O 3.36Å; K888-L901 HydrophobicContact CB-CB 4.37Å; K888-L901 HydrophobicContact CB-CD1 4.44Å; K888-L901 PolarHBondContact N-O 3.39Å; K888-L901 PolarHBondContact O-N 2.94Å; F890-L901 HydrophobicContact CE2-CD1 3.66Å; F890-L901 HydrophobicContact CE2-CG 3.99Å; F890-L901 HydrophobicContact CZ-CD1 4.42Å
902	V	91.8	Very high	86.9	Confident	7 Å²	7	74.4 Å²	74.4	4%	0.042	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.5	179.6	-59.9	0	0	0	0	109.9	I846 N847 L881 I886 F900 E904	I846-V902 HydrophobicContact CG2-CB 4.46Å; I846-V902 HydrophobicContact CG2-CG1 4.16Å; I846-V902 HydrophobicContact CG2-CG2 3.48Å; I846-V902 VanDerWaalsContact CG2-CG2 3.48Å; N847-V902 PolarHBondContact ND2-O 3.28Å; N847-V902 VanDerWaalsContact ND2-O 3.12Å; N847-V902 PolarHBondContact OD1-N 3.29Å; N847-V902 PolarHBondContact OD1-O 3.1Å; L881-V902 HydrophobicContact CD2-CG1 3.61Å; I886-V902 HydrophobicContact CG1-CG1 4.07Å; F900-V902 HydrophobicContact CB-CG1 4.36Å; V902-E904 PolarHBondContact O-N 3Å
903	Q	82.1	Confident	86.6	Confident	101 Å²	101	77.9 Å²	77.9	47%	0.472	39%	0.394	S	S	.	.			trans	-66.1	126.6	168.5	-162.9	156.9	-6.8	0	0	108.4	T885 K887	T885-Q903 PolarHBondContact O-N 3.39Å; K887-Q903 VanDerWaalsContact CE-CD 3.49Å; K887-Q903 VanDerWaalsContact CE-OE1 3.27Å
904	E	62	Low	87.4	Confident	224 Å²	224	73.3 Å²	73.3	100%	1.047	35%	0.354	S	S	*	.			trans	-61.8	0	175.8	-74.5	-170.1	161	0	0	112.2	V902	V902-E904 PolarHBondContact O-N 3Å

Retrieved 904 of 904 residues in 2218.1 ms (Link to these results)

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