A0A077Z4H2_TRITR Loading...

Pkinase Tyr and F5 F8 type C domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077Z4H2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 886 aa.

						>A0A077Z4H2_TRITR|A0A077Z4H2
MIDRFGENLASGRKSGDGLLSLATPTRIDCNLALGMESREIADEALTSSSSFDESSVGPRNARIKTEQNGGAWCPRRQISPTVREWLQIDLGTRRLITSIETQGRYGEGVGQEYATAYSIEYWRPELAGWHRYKDRNENEILPANNDTSTPVTRKMDSPFVASKIRIVPWSDHTRTVCMRVELRGCSFADPLRSYAAPWSFAEDNRRWMDNSYDGDVFSNGTMTGGLGQLYDGVVGSERFLNCSYDWVGWRRSETGSMVELEFNFASFRNFTSIALHVGYFEAKMMGAFSSASLHFGTSREDALQRLPLQFGPPIESLSRGTRWVIIPTKHRVARCVLIKLEMATEWLLISELKFESTPARMMSIGQRRMGTLPVGGLLNPSRKSSVAILSYDFVPTEYVALAIGVILVLIGMGTVFLAVYLVRQKRMNAGKERRSHMAPIYAYDCLAPVGRADPALAKGLEALLTSNGTVLSMARRPTVLPSRPSDKAPSSSARLYDARELSPTDDCYYSEYADPDMASSPTVPLIPPPPAVERRRSISGSSTLQTTLFGKKRRSCPLDQQHGLAYSLYYASSDVTNPEEEEQPQRATAKPTPLMELFASLGCPLVERSRLEMQEKLGEGEFSEVHLCRMKINDSVSCQVAVKTRRSGGNDHCWKDFERELRVLAKLDHANIIRLLGVSADNDNCLLVFERMENGDLNQYLRLRGSRLSSSDLLRFAGQIADGMRYLESLHFVHRDLATRNCLLDHQLNIKIADFGMARSLYQNDYYRIEGRFVLPIRWMAWECVLLGKFSTKTDVWAFGVTLWEVYMLASEQPFAVCNDQQVIENLQHMYYNESLLVYLRKPDICPPELYALMMSCWSKDETDRPTFADIRSLLRGFTSAIASS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.1	Very low	29.7	Very low	234 Å²	234	161.5 Å²	161.5	100%	1.153	86%	0.859	S	S	*	*				0	87.1	0	-171.8	175.7	-79.5	0	0	107.6
2	I	33	Very low	29.5	Very low	147 Å²	147	154.2 Å²	154.2	75%	0.754	85%	0.85	S	S	*	*			trans	55.7	100	141.5	-53.5	173.4	0	0	0	118
3	D	28.5	Very low	29.4	Very low	143 Å²	143	161.6 Å²	161.6	77%	0.765	86%	0.858	S	S	*	*			trans	43.5	124.6	132.7	-48.3	-28.4	0	0	0	121.6
4	R	33.3	Very low	29	Very low	237 Å²	237	165.6 Å²	165.6	89%	0.894	86%	0.864	S	S	*	*				-162.9	101.3	121.5	-105.5	175	-159.3	-151.3	4.8	111
5	F	29.8	Very low	29.1	Very low	217 Å²	217	162 Å²	162	95%	0.952	86%	0.858	S	S	*	*			trans	-167.4	82	133.7	-104.7	-66.5	0	0	0	108.9
6	G	30.2	Very low	28.9	Very low	64 Å²	64	156.1 Å²	156.1	66%	0.66	85%	0.848	S	S	*	*			trans	-85.4	128.9	167.9	0	0	0	0	0	110.8
7	E	29.5	Very low	28.7	Very low	193 Å²	193	156.4 Å²	156.4	90%	0.902	85%	0.849	S	S	*	*				58.6	124.4	120.9	-60.8	-170.5	147.3	0	0	120.4
8	N	29	Very low	28.5	Very low	152 Å²	152	152.3 Å²	152.3	81%	0.813	85%	0.849	S	S	*	*	S	Bend	trans	-134	132.6	144.7	-115.2	-36.9	0	0	0	109.7
9	L	30.8	Very low	28.4	Very low	164 Å²	164	151.8 Å²	151.8	86%	0.859	84%	0.844	S	S	*	*			trans	72.2	90.7	162.1	-61.5	163.9	0	0	0	118.3
10	A	26.2	Very low	28.2	Very low	94 Å²	94	152.4 Å²	152.4	78%	0.777	85%	0.845	S	S	*	*			trans	-75.1	144.2	161.7	0	0	0	0	0	112.7
11	S	26.1	Very low	27.9	Very low	132 Å²	132	150.5 Å²	150.5	92%	0.923	84%	0.842	S	S	*	*			trans	157.3	74.9	137	51.1	0	0	0	0	112.1
12	G	27.9	Very low	27.7	Very low	73 Å²	73	145.6 Å²	145.6	75%	0.753	82%	0.819	S	S	*	*			trans	-141.3	126.2	171.2	0	0	0	0	0	109.6
13	R	27.6	Very low	27.3	Very low	251 Å²	251	141.5 Å²	141.5	95%	0.947	81%	0.808	S	S	*	*			trans	-63.7	134.3	-173	-73.4	174.7	172.9	161	-3.3	111.4
14	K	24.7	Very low	27.2	Very low	217 Å²	217	138.4 Å²	138.4	94%	0.943	79%	0.794	S	S	*	*			trans	-76.4	119.2	164	-73.9	-174.9	176.9	-178.2	0	110.1
15	S	30.6	Very low	26.8	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	76%	0.764	S	S	*	*			trans	-143.2	126.2	154	49.7	0	0	0	0	105.1
16	G	25.7	Very low	26.7	Very low	67 Å²	67	122.3 Å²	122.3	69%	0.691	74%	0.741	S	S	*	*			cis	119.4	90.9	23.4	0	0	0	0	0	106.9
17	D	25.2	Very low	27.2	Very low	162 Å²	162	124.9 Å²	124.9	87%	0.866	73%	0.731	S	S	*	*			trans	42	77.5	164.7	-51	-28.9	0	0	0	117.1	L19	D17-L19 PolarHBondContact O-N 2.84Å
18	G	25	Very low	28	Very low	83 Å²	83	119 Å²	119	86%	0.856	70%	0.704	S	S	*	*			trans	-72.1	71.3	162.5	0	0	0	0	0	111.7	L20	G18-L20 PolarHBondContact O-N 3.33Å
19	L	25.7	Very low	29.5	Very low	143 Å²	143	117.2 Å²	117.2	75%	0.749	70%	0.695	S	S	*	*			trans	-58.6	131.5	171.8	-164.9	78.5	0	0	0	109.2	D17 S21	D17-L19 PolarHBondContact O-N 2.84Å; L19-S21 PolarHBondContact O-N 2.88Å
20	L	24.8	Very low	31.7	Very low	163 Å²	163	109.8 Å²	109.8	85%	0.853	66%	0.657	S	S	*	*			trans	-60.3	95.7	179.7	-83.7	156.9	0	0	0	111.1	G18 L22	G18-L20 PolarHBondContact O-N 3.33Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.25Å
21	S	22.9	Very low	34.6	Very low	112 Å²	112	108.1 Å²	108.1	78%	0.783	64%	0.635	S	S	*	*			trans	-63.1	93.7	161	178.8	0	0	0	0	107.9	L19 A23	L19-S21 PolarHBondContact O-N 2.88Å; S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.12Å
22	L	25.8	Very low	37.6	Very low	131 Å²	131	104.2 Å²	104.2	69%	0.686	60%	0.603	S	S	*	*			trans	-60.1	99.7	165.6	-86.3	158.1	0	0	0	107.5	L20 T24	L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.25Å; L22-T24 PolarHBondContact O-N 2.84Å
23	A	23.7	Very low	40.7	Very low	61 Å²	61	102.2 Å²	102.2	50%	0.504	58%	0.58	S	S	.	*			trans	-52.1	134.4	172.6	0	0	0	0	0	109	S21	S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.12Å
24	T	27.2	Very low	43.7	Very low	78 Å²	78	90.6 Å²	90.6	48%	0.479	54%	0.536	S	S	.	.			trans	-75.3	137.1	-174.4	38.7	0	0	0	0	110.3	L22 T26	L22-T24 PolarHBondContact O-N 2.84Å; T24-T26 PolarHBondContact O-N 3.27Å
25	P	25.1	Very low	46.9	Very low	42 Å²	42	80.3 Å²	80.3	27%	0.273	49%	0.492	S	S	.	.			trans	-59.7	112.3	-173.9	-23.3	32.4	0	0	0	112.8	R27 Q822 Q823 E826	P25-R27 PolarHBondContact O-N 2.88Å; P25-Q822 HydrophobicContact CB-CB 3.9Å; P25-Q822 HydrophobicContact CB-CG 3.39Å; P25-Q823 HydrophobicContact CG-CG 4.21Å; P25-E826 WeakPolarHBondContact CA-OE1 3.35Å; P25-E826 WeakPolarHBondContact CA-OE2 3.09Å
26	T	27.3	Very low	49.9	Very low	75 Å²	75	75 Å²	75	46%	0.46	45%	0.454	S	S	.	.			trans	-72.4	70.2	-178.5	48.1	0	0	0	0	112.1	T24 Q822 E826	T24-T26 PolarHBondContact O-N 3.27Å; T26-Q822 PolarHBondContact O-NE2 2.69Å; T26-E826 WeakPolarHBondContact CB-OE1 3.46Å; T26-E826 PolarHBondContact N-OE1 3.41Å; T26-E826 WeakPolarHBondContact OG1-CG 3.48Å; T26-E826 PolarHBondContact OG1-OE1 3.33Å
27	R	41.4	Very low	53.2	Low	117 Å²	117	75.4 Å²	75.4	44%	0.442	44%	0.438	S	S	.	.			trans	-0.7	116.1	161.4	-151.9	179.9	-169.1	163.2	3.9	114.3	P25 D29 D232 G233 Q822	P25-R27 PolarHBondContact O-N 2.88Å; R27-D29 PolarHBondContact O-N 3.01Å; R27-D232 PolarHBondContact NH2-O 2.97Å; R27-G233 PolarHBondContact NH1-O 3.49Å; R27-Q822 VanDerWaalsContact C-OE1 3.32Å
28	I	46.5	Very low	56.2	Low	69 Å²	69	71.6 Å²	71.6	35%	0.354	43%	0.425	S	S	.	.			trans	-41.2	127.9	157	-56.9	116.5	0	0	0	107.6	C30 Y768 I825	I28-C30 PolarHBondContact O-N 3.18Å; I28-Y768 HydrophobicContact CD1-CE2 3.97Å; I28-Y768 WeakPolarHBondContact CD1-OH 3.49Å; I28-Y768 VanDerWaalsContact CG1-OH 3.26Å; I28-Y768 WeakPolarHBondContact CG1-OH 3.2Å; I28-I825 HydrophobicContact CG1-CD1 4.13Å
29	D	58.6	Low	59.4	Low	116 Å²	116	72.8 Å²	72.8	62%	0.62	40%	0.403	S	S	*	.			trans	-65	93.5	-168.2	-169.5	9.2	0	0	0	111.1	R27 N31	R27-D29 PolarHBondContact O-N 3.01Å; D29-N31 PolarHBondContact O-N 2.72Å
30	C	78.8	Confident	62.4	Low	8 Å²	8	70.6 Å²	70.6	5%	0.054	39%	0.389	C	S	.	.			trans	-79.4	55.1	-175.8	-175.2	0	0	0	0	110	I28 T98 G185 C186	I28-C30 PolarHBondContact O-N 3.18Å; C30-T98 WeakPolarHBondContact O-CB 3.32Å; C30-T98 WeakPolarHBondContact O-CG2 3.44Å; C30-T98 PolarHBondContact O-OG1 3.03Å; C30-G185 CarbonylContact C-O 3.56Å; C30-G185 CarbonylContact O-C 3.55Å; C30-G185 WeakPolarHBondContact O-CA 3.16Å; C30-C186 HydrophobicContact CB-CB 3.8Å; C30-C186 WeakPolarHBondContact CB-SG 3.44Å; C30-C186 WeakPolarHBondContact SG-CB 3.43Å; C30-C186 PolarHBondContact SG-N 2.84Å; C30-C186 CovalentContact SG-SG 2.04Å; C30-C186 PolarHBondContact SG-SG 2.9Å
31	N	86.6	Confident	65.5	Low	58 Å²	58	63.4 Å²	63.4	31%	0.31	35%	0.352	S	S	.	.			trans	-141	27.7	-177.8	-164.5	39.8	0	0	0	111.6	D29 T98 S99 R184 G185	D29-N31 PolarHBondContact O-N 2.72Å; N31-T98 PolarHBondContact OD1-OG1 3.34Å; N31-S99 PolarHBondContact OD1-OG 3.32Å; N31-R184 WeakPolarHBondContact O-CD 3.43Å; N31-R184 PolarHBondContact O-NH1 3.27Å; N31-G185 PolarHBondContact N-O 3.47Å
32	L	88.9	Confident	68.8	Low	51 Å²	51	60.3 Å²	60.3	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	140.6	-178.4	-57.3	168.3	0	0	0	109.5	L34 R184 G185 R773	L32-L34 PolarHBondContact O-N 2.74Å; L32-R184 CarbonylContact O-C 3.37Å; L32-R184 WeakPolarHBondContact O-CA 3.4Å; L32-G185 PolarHBondContact N-O 2.74Å; L32-G185 PolarHBondContact O-N 3.11Å; L32-R773 VanDerWaalsContact CD1-NH1 3.33Å
33	A	92.9	Very high	72.1	Confident	31 Å²	31	56.6 Å²	56.6	26%	0.256	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135.2	168.9	0	0	0	0	0	110	E182	A33-E182 HydrophobicContact CB-CG 3.91Å
34	L	91.8	Very high	75.5	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.037	33%	0.326	C	S	.	.			trans	-97.2	-6.8	-172.2	-64	-177.1	0	0	0	113.9	L32 I41 R95 I97 L183	L32-L34 PolarHBondContact O-N 2.74Å; L34-I41 WeakPolarHBondContact O-CG1 3.44Å; L34-R95 HydrophobicContact CD1-CB 4.2Å; L34-R95 HydrophobicContact CD1-CG 4.47Å; L34-I97 HydrophobicContact CD1-CD1 3.64Å; L34-L183 HydrophobicContact CB-CB 4.22Å; L34-L183 WeakPolarHBondContact CB-O 3.49Å; L34-L183 HydrophobicContact CD1-CB 4.01Å; L34-L183 HydrophobicContact CG-CB 4.41Å; L34-L183 WeakPolarHBondContact CG-O 3.42Å; L34-L183 PolarHBondContact N-O 3.06Å
35	G	90.4	Very high	78.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	134.3	14.5	162.8	0	0	0	0	0	117.3	S38 R39 E40 I41 R63 E182	G35-S38 WeakPolarHBondContact CA-OG 3.42Å; G35-R39 CarbonylContact O-C 3.59Å; G35-R39 WeakPolarHBondContact O-CA 3.34Å; G35-R39 PolarHBondContact O-N 2.92Å; G35-R39 VanDerWaalsContact O-N 3.15Å; G35-E40 PolarHBondContact O-N 2.8Å; G35-I41 PolarHBondContact O-N 3.1Å; G35-I41 VanDerWaalsContact O-N 3.11Å; G35-R63 PolarHBondContact O-NH1 3.2Å; G35-E182 PolarHBondContact N-OE1 2.7Å
36	M	95.1	Very high	82.2	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-51.9	175.7	-62.2	-67.9	-69.6	0	0	110.6	I41 L46 R63 I89 V181 E182	M36-I41 HydrophobicContact CG-CD1 4.2Å; M36-I41 HydrophobicContact SD-CD1 4.02Å; M36-I41 HydrophobicContact SD-CG2 4.37Å; M36-L46 HydrophobicContact CE-CD1 4.17Å; M36-L46 HydrophobicContact CE-CD2 3.81Å; M36-L46 HydrophobicContact SD-CD2 3.65Å; M36-R63 HydrophobicContact CE-CG 4.48Å; M36-R63 WeakPolarHBondContact O-CB 3.4Å; M36-R63 VanDerWaalsContact O-CD 3.23Å; M36-R63 WeakPolarHBondContact O-CD 3.37Å; M36-R63 WeakPolarHBondContact O-CG 3.32Å; M36-R63 PolarHBondContact O-NH1 2.83Å; M36-I89 HydrophobicContact CE-CD1 3.97Å; M36-I89 HydrophobicContact CE-CG1 4.32Å; M36-I89 HydrophobicContact SD-CD1 3.78Å; M36-I89 HydrophobicContact SD-CG1 4.11Å; M36-I89 HydrophobicContact SD-CG2 4.13Å; M36-V181 WeakPolarHBondContact CB-O 3.42Å; M36-V181 HydrophobicContact CE-CB 4.5Å; M36-V181 WeakPolarHBondContact CG-O 3.31Å; M36-E182 HydrophobicContact CB-CB 4.36Å; M36-E182 WeakPolarHBondContact CB-OE1 3.48Å; M36-E182 WeakPolarHBondContact CG-OE1 3.39Å; M36-E182 PolarHBondContact N-OE1 3Å; M36-E182 PolarHBondContact N-OE2 3.11Å
37	E	93.9	Very high	85.5	Confident	76 Å²	76	56 Å²	56	36%	0.355	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-52.4	178.4	-163.8	171.8	171	0	0	111.4	R39 I64 K65 E182	E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.37Å; E37-I64 HydrophobicContact CB-CG2 3.81Å; E37-I64 HydrophobicContact CG-CG2 4.07Å; E37-K65 VanDerWaalsContact CD-NZ 3.28Å; E37-K65 WeakPolarHBondContact OE1-CD 3.12Å; E37-K65 IonicContact OE1-NZ 3.92Å; E37-K65 PolarHBondContact OE1-NZ 3.02Å; E37-K65 VanDerWaalsContact OE1-NZ 3.1Å; E37-K65 IonicContact OE2-NZ 2.76Å; E37-K65 PolarHBondContact OE2-NZ 3.19Å; E37-E182 PolarHBondContact N-OE2 3.32Å
38	S	89.3	Confident	88.2	Confident	83 Å²	83	51.6 Å²	51.6	58%	0.58	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.5	-174.4	64.5	0	0	0	0	115.1	G35 E40	G35-S38 WeakPolarHBondContact CA-OG 3.42Å; S38-E40 PolarHBondContact O-N 2.78Å
39	R	91.5	Very high	90.6	Very high	107 Å²	107	50.4 Å²	50.4	40%	0.404	28%	0.278	S	S	.	.	S	Bend	trans	63.7	15.8	-174.9	-53.6	179.7	168.8	-115.9	-11	116.3	G35 E37 I41 Q68	G35-R39 CarbonylContact O-C 3.59Å; G35-R39 WeakPolarHBondContact O-CA 3.34Å; G35-R39 PolarHBondContact O-N 2.92Å; G35-R39 VanDerWaalsContact O-N 3.15Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.37Å; R39-I41 CarbonylContact O-C 3.38Å; R39-I41 PolarHBondContact O-N 2.89Å; R39-Q68 VanDerWaalsContact NH2-NE2 3.12Å
40	E	88.8	Confident	92.4	Very high	98 Å²	98	45.5 Å²	45.5	46%	0.458	25%	0.253	S	S	.	.			trans	-58.1	-34.5	166.7	-175.7	-171.7	150.2	0	0	110.7	G35 S38 A42 R95	G35-E40 PolarHBondContact O-N 2.8Å; S38-E40 PolarHBondContact O-N 2.78Å; E40-A42 PolarHBondContact O-N 2.82Å; E40-R95 IonicContact OE1-NH2 2.76Å; E40-R95 PolarHBondContact OE1-NH2 3.39Å; E40-R95 VanDerWaalsContact OE1-NH2 3.14Å
41	I	89.9	Confident	93.2	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.062	25%	0.25	C	S	.	.	S	Bend	trans	-81.5	108.8	164.9	-62.4	169	0	0	0	107.5	L34 G35 M36 R39 A45 L46 R63 I89 L91	L34-I41 WeakPolarHBondContact O-CG1 3.44Å; G35-I41 PolarHBondContact O-N 3.1Å; G35-I41 VanDerWaalsContact O-N 3.11Å; M36-I41 HydrophobicContact CG-CD1 4.2Å; M36-I41 HydrophobicContact SD-CD1 4.02Å; M36-I41 HydrophobicContact SD-CG2 4.37Å; R39-I41 CarbonylContact O-C 3.38Å; R39-I41 PolarHBondContact O-N 2.89Å; I41-A45 HydrophobicContact CG2-CB 3.78Å; I41-L46 HydrophobicContact CG2-CD2 3.84Å; I41-L46 HydrophobicContact CG2-CG 4.32Å; I41-R63 VanDerWaalsContact O-CZ 3.26Å; I41-R63 PolarHBondContact O-NH1 3.24Å; I41-R63 PolarHBondContact O-NH2 3.28Å; I41-I89 HydrophobicContact CD1-CG2 3.92Å; I41-I89 HydrophobicContact CG2-CG2 4.11Å; I41-L91 HydrophobicContact CD1-CD2 3.86Å
42	A	92.6	Very high	93.3	Very high	47 Å²	47	49.7 Å²	49.7	39%	0.388	27%	0.268	S	S	.	.			trans	-66.6	162.2	-179.5	0	0	0	0	0	113.2	E40 E44 A45	E40-A42 PolarHBondContact O-N 2.82Å; A42-E44 VanDerWaalsContact C-N 3.25Å; A42-E44 WeakPolarHBondContact CB-OE2 3.43Å; A42-E44 PolarHBondContact O-N 3.28Å; A42-A45 WeakPolarHBondContact O-CB 3.38Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.16Å
43	D	93.5	Very high	93.4	Very high	52 Å²	52	50.3 Å²	50.3	28%	0.278	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.8	-30.7	-177.4	-83.7	9.5	0	0	0	112.3	A45 L46 R60 R63	D43-A45 PolarHBondContact O-N 2.93Å; D43-L46 PolarHBondContact O-N 2.84Å; D43-L46 VanDerWaalsContact O-N 3.1Å; D43-R60 HydrophobicContact CB-CB 4.26Å; D43-R60 WeakPolarHBondContact OD2-CB 3.43Å; D43-R63 IonicContact OD1-CZ 2.84Å; D43-R63 IonicContact OD1-NE 3.8Å; D43-R63 PolarHBondContact OD1-NE 3.13Å; D43-R63 IonicContact OD1-NH2 3.76Å; D43-R63 PolarHBondContact OD1-NH2 3.45Å
44	E	95.1	Very high	93.2	Very high	163 Å²	163	53.1 Å²	53.1	76%	0.762	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.7	178.3	-60.3	72.5	-159.6	0	0	113	A42 L46	A42-E44 VanDerWaalsContact C-N 3.25Å; A42-E44 WeakPolarHBondContact CB-OE2 3.43Å; A42-E44 PolarHBondContact O-N 3.28Å; E44-L46 VanDerWaalsContact C-N 3.29Å
45	A	96	Very high	92.9	Very high	20 Å²	20	56.3 Å²	56.3	17%	0.165	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-81.2	-10	175.4	0	0	0	0	0	113	I41 A42 D43 D90	I41-A45 HydrophobicContact CG2-CB 3.78Å; A42-A45 WeakPolarHBondContact O-CB 3.38Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.16Å; D43-A45 PolarHBondContact O-N 2.93Å; A45-D90 HydrophobicContact CB-CB 4.17Å; A45-D90 WeakPolarHBondContact CB-O 3.49Å; A45-D90 PolarHBondContact O-N 3.35Å
46	L	97.4	Very high	92.8	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.037	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.2	-177.2	-56.9	-177.8	0	0	0	110.4	M36 I41 D43 E44 P59 R63 I89	M36-L46 HydrophobicContact CE-CD1 4.17Å; M36-L46 HydrophobicContact CE-CD2 3.81Å; M36-L46 HydrophobicContact SD-CD2 3.65Å; I41-L46 HydrophobicContact CG2-CD2 3.84Å; I41-L46 HydrophobicContact CG2-CG 4.32Å; D43-L46 PolarHBondContact O-N 2.84Å; D43-L46 VanDerWaalsContact O-N 3.1Å; E44-L46 VanDerWaalsContact C-N 3.29Å; L46-P59 HydrophobicContact CB-CB 4.23Å; L46-P59 WeakPolarHBondContact O-CG 3.48Å; L46-R63 HydrophobicContact CD1-CG 4.41Å; L46-I89 HydrophobicContact CD2-CB 4.34Å; L46-I89 HydrophobicContact CD2-CG1 3.92Å; L46-I89 HydrophobicContact CD2-CG2 4.08Å
47	T	97.7	Very high	92.6	Very high	54 Å²	54	59.1 Å²	59.1	33%	0.331	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.8	-179	49.9	0	0	0	0	110.7	Q88	T47-Q88 PolarHBondContact N-O 2.94Å; T47-Q88 PolarHBondContact O-N 2.76Å; T47-Q88 PolarHBondContact OG1-NE2 2.84Å
48	S	97.4	Very high	92.6	Very high	24 Å²	24	55.5 Å²	55.5	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.6	179.5	57.4	0	0	0	0	112.2	S50 S51 W73 W86	S48-S50 VanDerWaalsContact C-N 3.31Å; S48-S50 PolarHBondContact OG-O 2.78Å; S48-S51 PolarHBondContact OG-OG 2.81Å; S48-W73 VanDerWaalsContact CB-NE1 3.33Å; S48-W86 CarbonylContact C-O 3.58Å; S48-W86 VanDerWaalsContact CA-CZ3 3.47Å; S48-W86 VanDerWaalsContact CA-O 3.22Å; S48-W86 WeakPolarHBondContact CA-O 3.42Å; S48-W86 WeakPolarHBondContact CB-O 3.42Å
49	S	97.1	Very high	92.9	Very high	44 Å²	44	51.9 Å²	51.9	31%	0.308	28%	0.279	S	S	.	.	S	Bend	trans	-64.1	-38.4	171.2	51.5	0	0	0	0	112.3	E85 W86	S49-E85 WeakPolarHBondContact CB-OE2 3.4Å; S49-E85 VanDerWaalsContact OG-CA 3.24Å; S49-E85 WeakPolarHBondContact OG-CA 3.42Å; S49-E85 WeakPolarHBondContact OG-CB 3.39Å; S49-E85 PolarHBondContact OG-OE2 2.91Å; S49-W86 PolarHBondContact N-O 3.01Å; S49-W86 PolarHBondContact OG-N 2.78Å; S49-W86 PolarHBondContact OG-O 3.29Å
50	S	96	Very high	93	Very high	13 Å²	13	52 Å²	52	9%	0.091	28%	0.279	C	S	.	.			trans	-163	164.3	173.7	73.2	0	0	0	0	110.4	S48 W73 R76 E85	S48-S50 VanDerWaalsContact C-N 3.31Å; S48-S50 PolarHBondContact OG-O 2.78Å; S50-W73 PolarHBondContact O-NE1 3.3Å; S50-R76 WeakPolarHBondContact OG-CB 3.27Å; S50-R76 PolarHBondContact OG-N 3.3Å; S50-E85 WeakPolarHBondContact CB-OE2 3.48Å; S50-E85 PolarHBondContact OG-OE2 2.7Å
51	S	94.9	Very high	93.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.			trans	-131.9	142.9	167.8	-42	0	0	0	0	108.4	S48 E54 C74 R76	S48-S51 PolarHBondContact OG-OG 2.81Å; S51-E54 WeakPolarHBondContact CB-OE2 3.36Å; S51-E54 PolarHBondContact OG-OE2 3.16Å; S51-C74 CarbonylContact C-O 3.31Å; S51-C74 WeakPolarHBondContact CA-O 3.3Å; S51-R76 VanDerWaalsContact O-CZ 3.31Å; S51-R76 PolarHBondContact O-NE 2.79Å; S51-R76 VanDerWaalsContact O-NE 3.11Å; S51-R76 PolarHBondContact O-NH2 2.73Å
52	F	89.1	Confident	93.5	Very high	155 Å²	155	47 Å²	47	68%	0.68	26%	0.256	S	S	*	.	S	Bend	trans	-59.6	-50.2	174.8	-178.3	-92.2	0	0	0	110.5	V57 C74	F52-V57 HydrophobicContact CB-CG2 3.97Å; F52-C74 PolarHBondContact N-O 3.01Å
53	D	90.3	Very high	93.7	Very high	64 Å²	64	44.8 Å²	44.8	34%	0.342	24%	0.237	S	C	.	.			trans	-132.8	133	160.1	170.9	45	0	0	0	110	S55 S56 V57 G58	D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 PolarHBondContact OD1-N 3.4Å; D53-S55 WeakPolarHBondContact OD2-CB 3.49Å; D53-S55 PolarHBondContact OD2-N 3.28Å; D53-S55 PolarHBondContact OD2-OG 3.09Å; D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.43Å; D53-S56 PolarHBondContact OD2-N 3.01Å; D53-V57 HydrophobicContact CB-CG2 4.46Å; D53-V57 CarbonylContact O-C 3.55Å; D53-V57 VanDerWaalsContact O-C 3.25Å; D53-V57 WeakPolarHBondContact O-CA 3.22Å; D53-V57 VanDerWaalsContact O-CG2 3.25Å; D53-V57 WeakPolarHBondContact O-CG2 3.43Å; D53-V57 PolarHBondContact O-N 3.37Å; D53-G58 PolarHBondContact O-N 3.39Å
54	E	88.9	Confident	93.7	Very high	89 Å²	89	42.3 Å²	42.3	42%	0.416	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-20	-175.4	-160.9	64.4	-151.4	0	0	112.8	S51 P59 R60	S51-E54 WeakPolarHBondContact CB-OE2 3.36Å; S51-E54 PolarHBondContact OG-OE2 3.16Å; E54-P59 VanDerWaalsContact OE1-CD 3.22Å; E54-P59 WeakPolarHBondContact OE1-CD 3.23Å; E54-R60 PolarHBondContact O-NH2 3.21Å; E54-R60 VanDerWaalsContact O-NH2 3.09Å
55	S	86.7	Confident	93.5	Very high	75 Å²	75	39 Å²	39	52%	0.524	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-48.1	177.1	82.2	0	0	0	0	111.5	D53	D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 PolarHBondContact OD1-N 3.4Å; D53-S55 WeakPolarHBondContact OD2-CB 3.49Å; D53-S55 PolarHBondContact OD2-N 3.28Å; D53-S55 PolarHBondContact OD2-OG 3.09Å
56	S	87.7	Confident	93	Very high	45 Å²	45	39.2 Å²	39.2	32%	0.315	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-38.8	-174.8	-170.7	0	0	0	0	113.5	D53 N61 G70	D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.43Å; D53-S56 PolarHBondContact OD2-N 3.01Å; S56-N61 VanDerWaalsContact C-ND2 3.29Å; S56-N61 PolarHBondContact O-ND2 3.04Å; S56-G70 WeakPolarHBondContact O-CA 3.48Å; S56-G70 PolarHBondContact O-N 3Å; S56-G70 WeakPolarHBondContact OG-CA 3.45Å; S56-G70 PolarHBondContact OG-N 3.08Å
57	V	90.6	Very high	92.2	Very high	13 Å²	13	42.5 Å²	42.5	8%	0.079	22%	0.222	C	C	.	.	S	Bend	trans	-135.4	33.8	-171.4	-63.7	0	0	0	0	113	F52 D53 A72 W73 C74	F52-V57 HydrophobicContact CB-CG2 3.97Å; D53-V57 HydrophobicContact CB-CG2 4.46Å; D53-V57 CarbonylContact O-C 3.55Å; D53-V57 VanDerWaalsContact O-C 3.25Å; D53-V57 WeakPolarHBondContact O-CA 3.22Å; D53-V57 VanDerWaalsContact O-CG2 3.25Å; D53-V57 WeakPolarHBondContact O-CG2 3.43Å; D53-V57 PolarHBondContact O-N 3.37Å; V57-A72 VanDerWaalsContact CA-O 3.26Å; V57-A72 WeakPolarHBondContact CA-O 3.1Å; V57-A72 WeakPolarHBondContact CB-O 3.42Å; V57-W73 WeakPolarHBondContact O-CA 3.3Å; V57-C74 HydrophobicContact CB-CB 3.91Å; V57-C74 HydrophobicContact CG1-CB 4.41Å; V57-C74 HydrophobicContact CG2-CB 3.9Å; V57-C74 PolarHBondContact O-N 2.75Å; V57-C74 VanDerWaalsContact O-N 3.09Å
58	G	93.4	Very high	91	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-73.1	171.3	173.1	0	0	0	0	0	113.9	D53 R60 N61	D53-G58 PolarHBondContact O-N 3.39Å; G58-R60 VanDerWaalsContact C-N 3.29Å; G58-R60 PolarHBondContact O-N 3.25Å; G58-N61 PolarHBondContact O-N 3.41Å
59	P	95.8	Very high	89.9	Confident	8 Å²	8	49 Å²	49	5%	0.052	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-60.9	-31	-172	23.9	-33.5	0	0	0	114.2	L46 E54 N61 A62 L87	L46-P59 HydrophobicContact CB-CB 4.23Å; L46-P59 WeakPolarHBondContact O-CG 3.48Å; E54-P59 VanDerWaalsContact OE1-CD 3.22Å; E54-P59 WeakPolarHBondContact OE1-CD 3.23Å; P59-N61 PolarHBondContact O-N 3.26Å; P59-A62 WeakPolarHBondContact O-CB 3.25Å; P59-A62 PolarHBondContact O-N 3.28Å; P59-L87 HydrophobicContact CB-CD1 3.62Å
60	R	94.4	Very high	88.6	Confident	108 Å²	108	47.4 Å²	47.4	41%	0.408	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-59.9	-25.1	173.4	60.3	-178	152.1	-145.5	-13.9	114.9	D43 E54 G58 A62	D43-R60 HydrophobicContact CB-CB 4.26Å; D43-R60 WeakPolarHBondContact OD2-CB 3.43Å; E54-R60 PolarHBondContact O-NH2 3.21Å; E54-R60 VanDerWaalsContact O-NH2 3.09Å; G58-R60 VanDerWaalsContact C-N 3.29Å; G58-R60 PolarHBondContact O-N 3.25Å; R60-A62 PolarHBondContact O-N 3.28Å
61	N	93.8	Very high	87.9	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.027	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-86	3.4	177.8	-58.1	-29.3	0	0	0	111.7	S56 G58 P59 R63 N69 A72	S56-N61 VanDerWaalsContact C-ND2 3.29Å; S56-N61 PolarHBondContact O-ND2 3.04Å; G58-N61 PolarHBondContact O-N 3.41Å; P59-N61 PolarHBondContact O-N 3.26Å; N61-R63 PolarHBondContact O-N 3.01Å; N61-N69 PolarHBondContact OD1-ND2 2.91Å; N61-A72 CarbonylContact O-C 3.59Å; N61-A72 WeakPolarHBondContact O-CA 3.48Å
62	A	95.7	Very high	87.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.			trans	-81.9	19.6	178.9	0	0	0	0	0	114.6	P59 R60 W73 L87 R180 V181	P59-A62 WeakPolarHBondContact O-CB 3.25Å; P59-A62 PolarHBondContact O-N 3.28Å; R60-A62 PolarHBondContact O-N 3.28Å; A62-W73 HydrophobicContact CB-CB 3.63Å; A62-L87 HydrophobicContact CB-CD1 3.89Å; A62-L87 HydrophobicContact CB-CD2 3.47Å; A62-L87 VanDerWaalsContact CB-CD2 3.47Å; A62-L87 HydrophobicContact CB-CG 4.34Å; A62-R180 CarbonylContact O-C 3.53Å; A62-R180 VanDerWaalsContact O-CA 3.29Å; A62-R180 WeakPolarHBondContact O-CA 3.43Å; A62-V181 PolarHBondContact O-N 2.9Å
63	R	95.4	Very high	88.1	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-86.6	126.9	-176.2	-61.7	172.8	179.8	-76.1	0.8	110.2	G35 M36 I41 D43 L46 N61 T66 R180	G35-R63 PolarHBondContact O-NH1 3.2Å; M36-R63 HydrophobicContact CE-CG 4.48Å; M36-R63 WeakPolarHBondContact O-CB 3.4Å; M36-R63 VanDerWaalsContact O-CD 3.23Å; M36-R63 WeakPolarHBondContact O-CD 3.37Å; M36-R63 WeakPolarHBondContact O-CG 3.32Å; M36-R63 PolarHBondContact O-NH1 2.83Å; I41-R63 VanDerWaalsContact O-CZ 3.26Å; I41-R63 PolarHBondContact O-NH1 3.24Å; I41-R63 PolarHBondContact O-NH2 3.28Å; D43-R63 IonicContact OD1-CZ 2.84Å; D43-R63 IonicContact OD1-NE 3.8Å; D43-R63 PolarHBondContact OD1-NE 3.13Å; D43-R63 IonicContact OD1-NH2 3.76Å; D43-R63 PolarHBondContact OD1-NH2 3.45Å; L46-R63 HydrophobicContact CD1-CG 4.41Å; N61-R63 PolarHBondContact O-N 3.01Å; R63-T66 HydrophobicContact CB-CG2 3.98Å; R63-T66 WeakPolarHBondContact CB-OG1 3.34Å; R63-T66 PolarHBondContact O-N 3.45Å; R63-T66 PolarHBondContact O-OG1 3.21Å; R63-R180 WeakPolarHBondContact O-CD 3.4Å
64	I	93.9	Very high	88.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	142.8	179.6	-149.5	81	0	0	0	111.3	E37 T66 E101 Q103 V181 E182	E37-I64 HydrophobicContact CB-CG2 3.81Å; E37-I64 HydrophobicContact CG-CG2 4.07Å; I64-T66 PolarHBondContact O-N 3.34Å; I64-E101 HydrophobicContact CD1-CB 4.08Å; I64-E101 HydrophobicContact CG1-CB 4.48Å; I64-Q103 HydrophobicContact CD1-CB 3.62Å; I64-Q103 HydrophobicContact CG1-CB 4.43Å; I64-V181 PolarHBondContact N-O 3.43Å; I64-V181 VanDerWaalsContact N-O 3.16Å; I64-E182 HydrophobicContact CB-CB 3.92Å; I64-E182 HydrophobicContact CG1-CB 4.45Å; I64-E182 HydrophobicContact CG2-CB 3.69Å; I64-E182 HydrophobicContact CG2-CG 4.42Å
65	K	90.6	Very high	88.7	Confident	93 Å²	93	32.8 Å²	32.8	40%	0.404	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	1	176.9	-52.1	156.7	-170.3	160.9	0	116.8	E37 P151	E37-K65 VanDerWaalsContact CD-NZ 3.28Å; E37-K65 WeakPolarHBondContact OE1-CD 3.12Å; E37-K65 IonicContact OE1-NZ 3.92Å; E37-K65 PolarHBondContact OE1-NZ 3.02Å; E37-K65 VanDerWaalsContact OE1-NZ 3.1Å; E37-K65 IonicContact OE2-NZ 2.76Å; E37-K65 PolarHBondContact OE2-NZ 3.19Å; K65-P151 HydrophobicContact CG-CG 4.34Å
66	T	86.7	Confident	89.1	Confident	26 Å²	26	36.3 Å²	36.3	16%	0.16	17%	0.174	C	C	.	.			trans	-90.8	146.1	173.3	71.9	0	0	0	0	110.9	R63 I64 R180	R63-T66 HydrophobicContact CB-CG2 3.98Å; R63-T66 WeakPolarHBondContact CB-OG1 3.34Å; R63-T66 PolarHBondContact O-N 3.45Å; R63-T66 PolarHBondContact O-OG1 3.21Å; I64-T66 PolarHBondContact O-N 3.34Å; T66-R180 VanDerWaalsContact O-CD 3.22Å; T66-R180 WeakPolarHBondContact O-CD 3.49Å; T66-R180 PolarHBondContact O-NH1 3.11Å
67	E	81.2	Confident	89.4	Confident	75 Å²	75	40.5 Å²	40.5	35%	0.35	18%	0.182	S	C	.	.			trans	-126.3	44	179.2	-53.2	-139.9	158.9	0	0	111.7	Y106 G107 E108 R180	E67-Y106 WeakPolarHBondContact OE1-CB 3.42Å; E67-Y106 WeakPolarHBondContact OE1-CD1 3.26Å; E67-G107 VanDerWaalsContact OE2-CA 3.26Å; E67-G107 WeakPolarHBondContact OE2-CA 3.36Å; E67-G107 PolarHBondContact OE2-N 3.08Å; E67-E108 PolarHBondContact OE2-N 2.85Å; E67-E108 VanDerWaalsContact OE2-N 3.15Å; E67-R180 IonicContact OE1-CZ 2.89Å; E67-R180 IonicContact OE1-NH1 3.67Å; E67-R180 PolarHBondContact OE1-NH1 3.39Å; E67-R180 IonicContact OE1-NH2 3.18Å; E67-R180 PolarHBondContact OE1-NH2 3.13Å
68	Q	71.5	Confident	89.5	Confident	96 Å²	96	44.9 Å²	44.9	45%	0.449	20%	0.202	S	C	.	.			trans	-78.5	137	177.4	-64.9	-169.1	-4.4	0	0	111.5	R39 G70 G71	R39-Q68 VanDerWaalsContact NH2-NE2 3.12Å; Q68-G70 PolarHBondContact O-N 3.19Å; Q68-G71 PolarHBondContact O-N 3.4Å
69	N	74.1	Confident	89.5	Confident	120 Å²	120	45 Å²	45	64%	0.642	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	-116.8	-179.4	-50.2	-63.7	0	0	0	111.8	N61 G71	N61-N69 PolarHBondContact OD1-ND2 2.91Å; N69-G71 PolarHBondContact O-N 3.18Å
70	G	70.3	Confident	89.4	Confident	10 Å²	10	45.2 Å²	45.2	10%	0.103	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.1	175.4	0	0	0	0	0	114.6	S56 Q68 R105	S56-G70 WeakPolarHBondContact O-CA 3.48Å; S56-G70 PolarHBondContact O-N 3Å; S56-G70 WeakPolarHBondContact OG-CA 3.45Å; S56-G70 PolarHBondContact OG-N 3.08Å; Q68-G70 PolarHBondContact O-N 3.19Å; G70-R105 WeakPolarHBondContact O-CD 3.43Å; G70-R105 VanDerWaalsContact O-CG 3.29Å; G70-R105 WeakPolarHBondContact O-CG 3.38Å
71	G	81.4	Confident	89.2	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.01	21%	0.208	C	C	.	.	S	Bend	trans	80.3	11.4	170.3	0	0	0	0	0	116.9	Q68 N69 R180	Q68-G71 PolarHBondContact O-N 3.4Å; N69-G71 PolarHBondContact O-N 3.18Å; G71-R180 VanDerWaalsContact O-CD 3.23Å; G71-R180 WeakPolarHBondContact O-CD 3.38Å; G71-R180 PolarHBondContact O-NE 3.28Å
72	A	93.1	Very high	89.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-167.9	171.7	170.5	0	0	0	0	0	110.8	V57 N61 R105 C178 R180	V57-A72 VanDerWaalsContact CA-O 3.26Å; V57-A72 WeakPolarHBondContact CA-O 3.1Å; V57-A72 WeakPolarHBondContact CB-O 3.42Å; N61-A72 CarbonylContact O-C 3.59Å; N61-A72 WeakPolarHBondContact O-CA 3.48Å; A72-R105 HydrophobicContact CB-CB 3.63Å; A72-R105 HydrophobicContact CB-CG 3.83Å; A72-C178 HydrophobicContact CB-CB 3.71Å; A72-R180 HydrophobicContact CB-CG 4.05Å
73	W	95.5	Very high	89.1	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-84.2	136.8	156.7	164.3	69.1	0	0	0	110.4	S48 S50 V57 A62 P75 W86 L87 P169 C178 M179	S48-W73 VanDerWaalsContact CB-NE1 3.33Å; S50-W73 PolarHBondContact O-NE1 3.3Å; V57-W73 WeakPolarHBondContact O-CA 3.3Å; A62-W73 HydrophobicContact CB-CB 3.63Å; W73-P75 HydrophobicContact CH2-CB 4.33Å; W73-P75 HydrophobicContact CH2-CG 4.32Å; W73-P75 HydrophobicContact CZ2-CB 3.87Å; W73-P75 HydrophobicContact CZ2-CG 4.27Å; W73-W86 WeakPolarHBondContact CZ2-O 3.2Å; W73-L87 HydrophobicContact CD2-CB 4.13Å; W73-L87 HydrophobicContact CD2-CD1 4.29Å; W73-L87 HydrophobicContact CE3-CB 3.7Å; W73-L87 HydrophobicContact CE3-CD2 4.45Å; W73-L87 HydrophobicContact CE3-CG 4.45Å; W73-L87 HydrophobicContact CG-CD1 4.31Å; W73-L87 HydrophobicContact CH2-CB 4.06Å; W73-L87 HydrophobicContact CZ2-CB 4.47Å; W73-L87 HydrophobicContact CZ3-CB 3.66Å; W73-P169 HydrophobicContact CH2-CG 3.95Å; W73-P169 HydrophobicContact CZ3-CG 4.05Å; W73-C178 CarbonylContact O-C 3.49Å; W73-C178 WeakPolarHBondContact O-CA 3.47Å; W73-C178 WeakPolarHBondContact O-CB 3.46Å; W73-M179 HydrophobicContact CE3-CB 4.21Å; W73-M179 HydrophobicContact CZ3-SD 4.34Å; W73-M179 PolarHBondContact N-O 2.88Å; W73-M179 PolarHBondContact O-N 2.61Å
74	C	95.5	Very high	89.1	Confident	7 Å²	7	56 Å²	56	5%	0.047	27%	0.273	C	S	.	.			trans	-134	119.5	175.8	-48.2	0	0	0	0	109.8	S51 F52 V57 C178	S51-C74 CarbonylContact C-O 3.31Å; S51-C74 WeakPolarHBondContact CA-O 3.3Å; F52-C74 PolarHBondContact N-O 3.01Å; V57-C74 HydrophobicContact CB-CB 3.91Å; V57-C74 HydrophobicContact CG1-CB 4.41Å; V57-C74 HydrophobicContact CG2-CB 3.9Å; V57-C74 PolarHBondContact O-N 2.75Å; V57-C74 VanDerWaalsContact O-N 3.09Å; C74-C178 HydrophobicContact CB-CB 4.1Å; C74-C178 WeakPolarHBondContact CB-SG 3.41Å; C74-C178 WeakPolarHBondContact SG-CB 3.3Å; C74-C178 CovalentContact SG-SG 2.03Å; C74-C178 PolarHBondContact SG-SG 3.33Å
75	P	96.7	Very high	89.3	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.032	27%	0.274	C	S	.	.			trans	-63.3	155.7	177.2	25.4	-33.8	0	0	0	112.4	W73 R77 I79 E85 V177	W73-P75 HydrophobicContact CH2-CB 4.33Å; W73-P75 HydrophobicContact CH2-CG 4.32Å; W73-P75 HydrophobicContact CZ2-CB 3.87Å; W73-P75 HydrophobicContact CZ2-CG 4.27Å; P75-R77 PolarHBondContact O-N 3.41Å; P75-I79 HydrophobicContact CG-CD1 4.02Å; P75-I79 HydrophobicContact CG-CG1 4.21Å; P75-E85 HydrophobicContact CB-CB 3.8Å; P75-E85 HydrophobicContact CB-CG 3.73Å; P75-E85 HydrophobicContact CG-CB 4.36Å; P75-E85 HydrophobicContact CG-CG 4.46Å; P75-V177 HydrophobicContact CG-CG2 3.97Å
76	R	94.8	Very high	89.7	Confident	149 Å²	149	54.1 Å²	54.1	56%	0.562	26%	0.263	S	S	*	.	S	Bend	trans	-69.6	-32.4	-177.8	-171.1	174.1	-61.3	129.6	9.8	113.6	S50 S51	S50-R76 WeakPolarHBondContact OG-CB 3.27Å; S50-R76 PolarHBondContact OG-N 3.3Å; S51-R76 VanDerWaalsContact O-CZ 3.31Å; S51-R76 PolarHBondContact O-NE 2.79Å; S51-R76 VanDerWaalsContact O-NE 3.11Å; S51-R76 PolarHBondContact O-NH2 2.73Å
77	R	92.3	Very high	90.2	Very high	133 Å²	133	52.9 Å²	52.9	50%	0.502	26%	0.256	S	S	.	.	S	Bend	trans	-97.9	140.1	178.7	-65.1	-172.2	-66.4	164.7	2	109.6	P75 V83 R84 E85	P75-R77 PolarHBondContact O-N 3.41Å; R77-V83 HydrophobicContact CB-CG1 3.97Å; R77-R84 PolarHBondContact NH2-O 2.64Å; R77-E85 IonicContact CZ-OE1 2.77Å; R77-E85 IonicContact NE-OE1 3.88Å; R77-E85 PolarHBondContact NE-OE1 2.88Å; R77-E85 IonicContact NH2-OE1 2.68Å; R77-E85 PolarHBondContact NH2-OE1 2.93Å
78	Q	93.6	Very high	91.1	Very high	106 Å²	106	50.6 Å²	50.6	50%	0.495	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-61	139.3	167.8	-66.3	-176.7	-47.8	0	0	109.7	V83 T174 R175 T176	Q78-V83 WeakPolarHBondContact O-CG1 3.31Å; Q78-T174 HydrophobicContact CB-CG2 3.83Å; Q78-R175 CarbonylContact C-O 3.37Å; Q78-R175 WeakPolarHBondContact CA-O 3.37Å; Q78-T176 PolarHBondContact NE2-OG1 3.25Å
79	I	94.2	Very high	92.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-87.1	135	-177	-58.4	-54.4	0	0	0	109.5	P75 V83 E85 P169 T174 R175 V177	P75-I79 HydrophobicContact CG-CD1 4.02Å; P75-I79 HydrophobicContact CG-CG1 4.21Å; I79-V83 HydrophobicContact CD1-CG1 4.03Å; I79-E85 HydrophobicContact CD1-CB 3.81Å; I79-E85 HydrophobicContact CD1-CG 3.65Å; I79-P169 HydrophobicContact CD1-CG 4.26Å; I79-P169 HydrophobicContact CG1-CB 4.38Å; I79-P169 HydrophobicContact CG1-CG 4.25Å; I79-T174 CarbonylContact O-C 3.59Å; I79-T174 VanDerWaalsContact O-CA 3.25Å; I79-T174 WeakPolarHBondContact O-CA 3.34Å; I79-R175 PolarHBondContact N-O 2.78Å; I79-R175 PolarHBondContact O-N 2.74Å; I79-V177 HydrophobicContact CB-CG1 4.16Å; I79-V177 HydrophobicContact CB-CG2 4.33Å; I79-V177 HydrophobicContact CG1-CB 4.49Å; I79-V177 HydrophobicContact CG1-CG1 4.22Å; I79-V177 HydrophobicContact CG1-CG2 3.48Å; I79-V177 VanDerWaalsContact CG1-CG2 3.48Å
80	S	92.1	Very high	93.5	Very high	13 Å²	13	42.4 Å²	42.4	9%	0.091	20%	0.204	C	C	.	.			trans	-146.4	173.6	172.7	74.8	0	0	0	0	107.8	T82 V83 S171	S80-T82 PolarHBondContact O-N 3.13Å; S80-T82 PolarHBondContact OG-OG1 2.77Å; S80-V83 PolarHBondContact O-N 2.94Å; S80-S171 CarbonylContact C-O 3.53Å
81	P	91.7	Very high	94.6	Very high	76 Å²	76	42.8 Å²	42.8	49%	0.494	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.8	-177.1	-27.1	37.3	0	0	0	115.3	S171 D172	P81-S171 WeakPolarHBondContact CD-O 3.17Å; P81-S171 WeakPolarHBondContact CG-O 3.26Å; P81-D172 WeakPolarHBondContact CG-O 3.29Å
82	T	93.1	Very high	95	Very high	132 Å²	132	45.9 Å²	45.9	81%	0.81	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-7.7	178.5	59.5	0	0	0	0	114.1	S80	S80-T82 PolarHBondContact O-N 3.13Å; S80-T82 PolarHBondContact OG-OG1 2.77Å
83	V	94.4	Very high	94.8	Very high	28 Å²	28	49.1 Å²	49.1	17%	0.17	26%	0.256	C	S	.	.			trans	-100.9	111.4	-178.2	176.5	0	0	0	0	110	R77 Q78 I79 S80 E85	R77-V83 HydrophobicContact CB-CG1 3.97Å; Q78-V83 WeakPolarHBondContact O-CG1 3.31Å; I79-V83 HydrophobicContact CD1-CG1 4.03Å; S80-V83 PolarHBondContact O-N 2.94Å; V83-E85 HydrophobicContact CG1-CG 4.13Å
84	R	95.5	Very high	94.6	Very high	105 Å²	105	51.3 Å²	51.3	40%	0.396	26%	0.264	S	S	.	.			trans	-98	117.8	173.5	-172.9	174.4	168	-76	2.3	111.2	R77 E121 V168	R77-R84 PolarHBondContact NH2-O 2.64Å; R84-E121 IonicContact CZ-OE1 2.82Å; R84-E121 IonicContact CZ-OE2 3.25Å; R84-E121 IonicContact NE-OE1 3.74Å; R84-E121 PolarHBondContact NE-OE1 3.22Å; R84-E121 VanDerWaalsContact NE-OE1 3.1Å; R84-E121 IonicContact NH2-OE1 3.35Å; R84-E121 PolarHBondContact NH2-OE1 3.09Å; R84-E121 IonicContact NH2-OE2 2.95Å; R84-E121 PolarHBondContact NH2-OE2 2.82Å; R84-V168 HydrophobicContact CG-CG1 4.08Å
85	E	97.7	Very high	94.4	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.033	27%	0.267	C	S	.	.			trans	-127.1	164.2	168.8	-63.6	-71.5	144.5	0	0	108.3	S49 S50 P75 R77 I79 V83 V168	S49-E85 WeakPolarHBondContact CB-OE2 3.4Å; S49-E85 VanDerWaalsContact OG-CA 3.24Å; S49-E85 WeakPolarHBondContact OG-CA 3.42Å; S49-E85 WeakPolarHBondContact OG-CB 3.39Å; S49-E85 PolarHBondContact OG-OE2 2.91Å; S50-E85 WeakPolarHBondContact CB-OE2 3.48Å; S50-E85 PolarHBondContact OG-OE2 2.7Å; P75-E85 HydrophobicContact CB-CB 3.8Å; P75-E85 HydrophobicContact CB-CG 3.73Å; P75-E85 HydrophobicContact CG-CB 4.36Å; P75-E85 HydrophobicContact CG-CG 4.46Å; R77-E85 IonicContact CZ-OE1 2.77Å; R77-E85 IonicContact NE-OE1 3.88Å; R77-E85 PolarHBondContact NE-OE1 2.88Å; R77-E85 IonicContact NH2-OE1 2.68Å; R77-E85 PolarHBondContact NH2-OE1 2.93Å; I79-E85 HydrophobicContact CD1-CB 3.81Å; I79-E85 HydrophobicContact CD1-CG 3.65Å; V83-E85 HydrophobicContact CG1-CG 4.13Å; E85-V168 WeakPolarHBondContact O-CG1 3.33Å
86	W	98	Very high	94.2	Very high	47 Å²	47	52.8 Å²	52.8	18%	0.178	27%	0.269	C	S	.	.			trans	-152.9	147.8	-179.9	51.3	-98.7	0	0	0	112.8	S48 S49 W73 Q88 R166 I167 V168	S48-W86 CarbonylContact C-O 3.58Å; S48-W86 VanDerWaalsContact CA-CZ3 3.47Å; S48-W86 VanDerWaalsContact CA-O 3.22Å; S48-W86 WeakPolarHBondContact CA-O 3.42Å; S48-W86 WeakPolarHBondContact CB-O 3.42Å; S49-W86 PolarHBondContact N-O 3.01Å; S49-W86 PolarHBondContact OG-N 2.78Å; S49-W86 PolarHBondContact OG-O 3.29Å; W73-W86 WeakPolarHBondContact CZ2-O 3.2Å; W86-Q88 HydrophobicContact CE3-CB 3.48Å; W86-Q88 VanDerWaalsContact CE3-CB 3.48Å; W86-Q88 HydrophobicContact CH2-CB 4.47Å; W86-Q88 HydrophobicContact CZ3-CB 3.38Å; W86-Q88 HydrophobicContact CZ3-CG 4.41Å; W86-R166 HydrophobicContact CB-CB 4.27Å; W86-R166 HydrophobicContact CB-CG 4.26Å; W86-R166 HydrophobicContact CD2-CG 4.34Å; W86-R166 HydrophobicContact CE3-CG 4.29Å; W86-R166 HydrophobicContact CG-CG 4.36Å; W86-I167 WeakPolarHBondContact CA-O 3.41Å; W86-V168 HydrophobicContact CB-CG2 4.16Å
87	L	98.4	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.6	158.8	175.6	72	0	0	0	107.6	P59 A62 W73 R166 I167 V181	P59-L87 HydrophobicContact CB-CD1 3.62Å; A62-L87 HydrophobicContact CB-CD1 3.89Å; A62-L87 HydrophobicContact CB-CD2 3.47Å; A62-L87 VanDerWaalsContact CB-CD2 3.47Å; A62-L87 HydrophobicContact CB-CG 4.34Å; W73-L87 HydrophobicContact CD2-CB 4.13Å; W73-L87 HydrophobicContact CD2-CD1 4.29Å; W73-L87 HydrophobicContact CE3-CB 3.7Å; W73-L87 HydrophobicContact CE3-CD2 4.45Å; W73-L87 HydrophobicContact CE3-CG 4.45Å; W73-L87 HydrophobicContact CG-CD1 4.31Å; W73-L87 HydrophobicContact CH2-CB 4.06Å; W73-L87 HydrophobicContact CZ2-CB 4.47Å; W73-L87 HydrophobicContact CZ3-CB 3.66Å; L87-R166 CarbonylContact O-C 3.59Å; L87-R166 WeakPolarHBondContact O-CA 3.5Å; L87-I167 PolarHBondContact N-O 2.8Å; L87-I167 PolarHBondContact O-N 3Å; L87-V181 HydrophobicContact CD2-CB 4.41Å; L87-V181 HydrophobicContact CD2-CG2 3.92Å
88	Q	98.5	Very high	94.4	Very high	27 Å²	27	40 Å²	40	13%	0.126	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.6	179.3	-175.7	-177.1	-75.5	0	0	110.4	T47 W86 W130 I165 R166	T47-Q88 PolarHBondContact N-O 2.94Å; T47-Q88 PolarHBondContact O-N 2.76Å; T47-Q88 PolarHBondContact OG1-NE2 2.84Å; W86-Q88 HydrophobicContact CE3-CB 3.48Å; W86-Q88 VanDerWaalsContact CE3-CB 3.48Å; W86-Q88 HydrophobicContact CH2-CB 4.47Å; W86-Q88 HydrophobicContact CZ3-CB 3.38Å; W86-Q88 HydrophobicContact CZ3-CG 4.41Å; Q88-W130 HydrophobicContact CG-CH2 4.05Å; Q88-I165 CarbonylContact C-O 3.6Å; Q88-I165 VanDerWaalsContact CA-O 3.26Å; Q88-I165 WeakPolarHBondContact CA-O 3.45Å; Q88-R166 HydrophobicContact CB-CG 3.81Å; Q88-R166 HydrophobicContact CG-CG 3.92Å
89	I	98.5	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.2	178.9	-55.9	166.9	0	0	0	107	M36 I41 L46 L91 K164 I165 V181 L183	M36-I89 HydrophobicContact CE-CD1 3.97Å; M36-I89 HydrophobicContact CE-CG1 4.32Å; M36-I89 HydrophobicContact SD-CD1 3.78Å; M36-I89 HydrophobicContact SD-CG1 4.11Å; M36-I89 HydrophobicContact SD-CG2 4.13Å; I41-I89 HydrophobicContact CD1-CG2 3.92Å; I41-I89 HydrophobicContact CG2-CG2 4.11Å; L46-I89 HydrophobicContact CD2-CB 4.34Å; L46-I89 HydrophobicContact CD2-CG1 3.92Å; L46-I89 HydrophobicContact CD2-CG2 4.08Å; I89-L91 HydrophobicContact CG2-CD2 3.99Å; I89-K164 WeakPolarHBondContact O-CA 3.19Å; I89-I165 PolarHBondContact N-O 2.79Å; I89-I165 PolarHBondContact O-N 2.79Å; I89-V181 HydrophobicContact CD1-CG1 4.17Å; I89-L183 HydrophobicContact CB-CD1 4.14Å; I89-L183 HydrophobicContact CD1-CD1 3.69Å; I89-L183 HydrophobicContact CD1-CD2 4.32Å; I89-L183 HydrophobicContact CD1-CG 3.93Å; I89-L183 HydrophobicContact CG2-CD1 3.82Å
90	D	97.7	Very high	94.7	Very high	44 Å²	44	35 Å²	35	24%	0.235	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.2	172.6	-156.2	-34.3	0	0	0	109.5	A45 G92 K164	A45-D90 HydrophobicContact CB-CB 4.17Å; A45-D90 WeakPolarHBondContact CB-O 3.49Å; A45-D90 PolarHBondContact O-N 3.35Å; D90-G92 PolarHBondContact OD1-N 3.44Å; D90-K164 IonicContact OD1-NZ 2.66Å; D90-K164 WeakPolarHBondContact OD2-CE 3.37Å; D90-K164 IonicContact OD2-NZ 3.43Å; D90-K164 PolarHBondContact OD2-NZ 3.39Å
91	L	94.5	Very high	94.9	Very high	18 Å²	18	34.9 Å²	34.9	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-8.4	-177.2	-58.6	172.9	0	0	0	112.1	I41 I89 T93 R95 I97 S163 I165 L183	I41-L91 HydrophobicContact CD1-CD2 3.86Å; I89-L91 HydrophobicContact CG2-CD2 3.99Å; L91-T93 PolarHBondContact O-N 2.9Å; L91-R95 HydrophobicContact CB-CG 4.08Å; L91-R95 HydrophobicContact CD1-CB 3.98Å; L91-R95 HydrophobicContact CD1-CG 3.92Å; L91-R95 HydrophobicContact CG-CG 4.47Å; L91-I97 HydrophobicContact CD1-CD1 3.98Å; L91-S163 WeakPolarHBondContact CB-O 3.25Å; L91-S163 PolarHBondContact N-O 2.87Å; L91-I165 HydrophobicContact CD1-CD1 4.14Å; L91-I165 HydrophobicContact CD1-CG1 4.39Å; L91-L183 HydrophobicContact CD2-CD1 3.88Å
92	G	88.7	Confident	95.2	Very high	66 Å²	66	31.3 Å²	31.3	68%	0.68	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	69.5	-41	-177.3	0	0	0	0	0	114.6	D90	D90-G92 PolarHBondContact OD1-N 3.44Å
93	T	89.4	Confident	95.3	Very high	68 Å²	68	25.6 Å²	25.6	42%	0.417	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	168.9	175.8	63.9	0	0	0	0	111.1	L91 R95 S163	L91-T93 PolarHBondContact O-N 2.9Å; T93-R95 PolarHBondContact OG1-NE 3.34Å; T93-S163 WeakPolarHBondContact O-CA 3.23Å
94	R	90.6	Very high	95.3	Very high	45 Å²	45	24.2 Å²	24.2	17%	0.17	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.7	172.8	-63.8	178.9	-57.5	156.5	20.4	109	E126 V161 A162 F188 D190 L192	R94-E126 IonicContact NH1-OE1 3.34Å; R94-V161 HydrophobicContact CB-CG1 4Å; R94-V161 HydrophobicContact CG-CG1 4.49Å; R94-A162 WeakPolarHBondContact CA-O 3.28Å; R94-F188 HydrophobicContact CB-CB 4.13Å; R94-F188 HydrophobicContact CB-CD1 4.47Å; R94-F188 PolarHBondContact NH2-O 3.21Å; R94-F188 WeakPolarHBondContact O-CB 3.13Å; R94-F188 PolarHBondContact O-N 3.34Å; R94-D190 PolarHBondContact NH2-O 3.1Å; R94-L192 PolarHBondContact NH1-O 3.43Å
95	R	91.8	Very high	95.1	Very high	29 Å²	29	21.3 Å²	21.3	11%	0.109	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.4	175.2	-55.1	-66.6	-166	142.3	12.2	109.1	L34 E40 L91 T93 I97 V161 A162 C186	L34-R95 HydrophobicContact CD1-CB 4.2Å; L34-R95 HydrophobicContact CD1-CG 4.47Å; E40-R95 IonicContact OE1-NH2 2.76Å; E40-R95 PolarHBondContact OE1-NH2 3.39Å; E40-R95 VanDerWaalsContact OE1-NH2 3.14Å; L91-R95 HydrophobicContact CB-CG 4.08Å; L91-R95 HydrophobicContact CD1-CB 3.98Å; L91-R95 HydrophobicContact CD1-CG 3.92Å; L91-R95 HydrophobicContact CG-CG 4.47Å; T93-R95 PolarHBondContact OG1-NE 3.34Å; R95-I97 HydrophobicContact CB-CD1 4.09Å; R95-V161 WeakPolarHBondContact O-CA 3.44Å; R95-A162 PolarHBondContact N-O 2.78Å; R95-A162 PolarHBondContact O-N 3.23Å; R95-C186 CarbonylContact C-O 3.57Å; R95-C186 WeakPolarHBondContact CA-O 3.4Å; R95-C186 WeakPolarHBondContact CB-O 3.36Å
96	L	93.1	Very high	94.4	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.079	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.1	170.4	-178.9	64.4	0	0	0	108.3	T98 P159 V161 G185 C186 F188	L96-T98 HydrophobicContact CG-CG2 4.45Å; L96-P159 HydrophobicContact CD1-CB 3.83Å; L96-P159 HydrophobicContact CG-CB 4.19Å; L96-V161 HydrophobicContact CD1-CG2 4.03Å; L96-G185 WeakPolarHBondContact O-CA 3.42Å; L96-C186 PolarHBondContact N-O 3.47Å; L96-C186 PolarHBondContact O-N 2.9Å; L96-C186 VanDerWaalsContact O-N 3.11Å; L96-F188 HydrophobicContact CB-CD2 4.33Å
97	I	96	Very high	93.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.1	-174	-48.9	-59.5	0	0	0	109.5	L34 L91 R95 I100 P159 F160 A162 I165	L34-I97 HydrophobicContact CD1-CD1 3.64Å; L91-I97 HydrophobicContact CD1-CD1 3.98Å; R95-I97 HydrophobicContact CB-CD1 4.09Å; I97-I100 HydrophobicContact CG2-CG1 4.33Å; I97-P159 VanDerWaalsContact O-CA 3.23Å; I97-P159 WeakPolarHBondContact O-CA 3.47Å; I97-P159 WeakPolarHBondContact O-CB 3.39Å; I97-F160 HydrophobicContact CB-CD1 4.47Å; I97-F160 HydrophobicContact CB-CD2 4.3Å; I97-F160 HydrophobicContact CB-CE1 4.1Å; I97-F160 HydrophobicContact CB-CE2 3.9Å; I97-F160 HydrophobicContact CB-CZ 3.8Å; I97-F160 HydrophobicContact CG1-CD2 4.22Å; I97-F160 HydrophobicContact CG1-CE2 3.77Å; I97-F160 HydrophobicContact CG1-CZ 4.12Å; I97-F160 HydrophobicContact CG2-CE1 4.11Å; I97-F160 HydrophobicContact CG2-CE2 4.32Å; I97-F160 HydrophobicContact CG2-CZ 3.77Å; I97-F160 PolarHBondContact N-O 2.9Å; I97-F160 PolarHBondContact O-N 3.35Å; I97-A162 HydrophobicContact CG1-CB 4.17Å; I97-I165 HydrophobicContact CD1-CD1 3.65Å; I97-I165 HydrophobicContact CG1-CD1 3.62Å; I97-I165 HydrophobicContact CG2-CD1 4.33Å
98	T	94.7	Very high	92	Very high	12 Å²	12	32.6 Å²	32.6	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-24.5	-175.1	59.6	0	0	0	0	113.3	C30 N31 L96 M156 P159 R184 G185	C30-T98 WeakPolarHBondContact O-CB 3.32Å; C30-T98 WeakPolarHBondContact O-CG2 3.44Å; C30-T98 PolarHBondContact O-OG1 3.03Å; N31-T98 PolarHBondContact OD1-OG1 3.34Å; L96-T98 HydrophobicContact CG-CG2 4.45Å; T98-M156 PolarHBondContact O-N 3.01Å; T98-P159 HydrophobicContact CG2-CB 4.02Å; T98-P159 HydrophobicContact CG2-CG 4.17Å; T98-R184 PolarHBondContact N-O 2.91Å; T98-R184 PolarHBondContact OG1-O 2.97Å; T98-G185 WeakPolarHBondContact OG1-CA 3.46Å
99	S	96.4	Very high	90.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.5	168.1	62.2	0	0	0	0	112.5	N31 R154 R184	N31-S99 PolarHBondContact OD1-OG 3.32Å; S99-R154 CarbonylContact C-O 3.58Å; S99-R154 WeakPolarHBondContact CA-O 3.48Å; S99-R154 VanDerWaalsContact CB-O 3.23Å; S99-R154 WeakPolarHBondContact CB-O 3.48Å; S99-R184 PolarHBondContact N-O 3.29Å; S99-R184 PolarHBondContact O-N 3.21Å; S99-R184 WeakPolarHBondContact OG-CB 3.32Å; S99-R184 VanDerWaalsContact OG-CD 3.24Å; S99-R184 WeakPolarHBondContact OG-CD 3.41Å
100	I	97.7	Very high	89.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.2	175.9	-59.4	-172.8	0	0	0	107.6	I97 T102 Y118 I120 R154 M156 I167 V181 E182 L183	I97-I100 HydrophobicContact CG2-CG1 4.33Å; I100-T102 HydrophobicContact CG2-CG2 4.27Å; I100-Y118 HydrophobicContact CG2-CE2 4.45Å; I100-I120 HydrophobicContact CD1-CD1 3.54Å; I100-I120 HydrophobicContact CD1-CG1 3.96Å; I100-I120 HydrophobicContact CD1-CG2 4.4Å; I100-R154 PolarHBondContact N-O 3.16Å; I100-R154 PolarHBondContact O-N 3.16Å; I100-M156 HydrophobicContact CB-CE 4.48Å; I100-M156 HydrophobicContact CG1-CE 4.22Å; I100-I167 HydrophobicContact CD1-CD1 3.84Å; I100-I167 HydrophobicContact CG2-CD1 4.33Å; I100-V181 HydrophobicContact CG2-CG1 4.01Å; I100-E182 WeakPolarHBondContact CA-O 3.4Å; I100-L183 HydrophobicContact CD1-CD2 3.89Å; I100-L183 HydrophobicContact CG1-CD2 3.85Å; I100-L183 HydrophobicContact CG2-CD2 4.27Å
101	E	97.6	Very high	88.6	Confident	12 Å²	12	36.2 Å²	36.2	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137	172.4	-43.6	-159	137.2	0	0	109.5	I64 V152 T153 V181 E182 R184	I64-E101 HydrophobicContact CD1-CB 4.08Å; I64-E101 HydrophobicContact CG1-CB 4.48Å; E101-V152 CarbonylContact C-O 3.59Å; E101-V152 WeakPolarHBondContact CA-O 3.39Å; E101-T153 HydrophobicContact CG-CG2 4Å; E101-T153 WeakPolarHBondContact OE1-CG2 3.25Å; E101-T153 PolarHBondContact OE1-OG1 3.04Å; E101-V181 CarbonylContact O-C 2.95Å; E101-V181 VanDerWaalsContact O-CA 3.25Å; E101-V181 WeakPolarHBondContact O-CA 3.37Å; E101-E182 HydrophobicContact CB-CB 4.21Å; E101-E182 HydrophobicContact CG-CB 4.41Å; E101-E182 PolarHBondContact N-O 3.43Å; E101-E182 PolarHBondContact O-N 2.95Å; E101-R184 VanDerWaalsContact CD-NH2 3.31Å; E101-R184 IonicContact OE1-CZ 3.82Å; E101-R184 VanDerWaalsContact OE1-CZ 3.3Å; E101-R184 IonicContact OE1-NE 3.81Å; E101-R184 PolarHBondContact OE1-NE 2.67Å; E101-R184 IonicContact OE1-NH2 2.68Å; E101-R184 PolarHBondContact OE1-NH2 3.01Å; E101-R184 IonicContact OE2-CZ 2.65Å; E101-R184 IonicContact OE2-NE 3.34Å; E101-R184 IonicContact OE2-NH2 3.92Å; E101-R184 PolarHBondContact OE2-NH2 3.34Å
102	T	97.7	Very high	88.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.8	174.8	64.6	0	0	0	0	111.4	I100 Y118 A144 N145 P151 V152 M179 R180	I100-T102 HydrophobicContact CG2-CG2 4.27Å; T102-Y118 HydrophobicContact CG2-CD1 4.48Å; T102-Y118 HydrophobicContact CG2-CE1 4.11Å; T102-A144 WeakPolarHBondContact OG1-CB 3.4Å; T102-N145 VanDerWaalsContact C-OD1 3.24Å; T102-N145 VanDerWaalsContact CB-OD1 3.3Å; T102-N145 WeakPolarHBondContact CB-OD1 3.46Å; T102-N145 PolarHBondContact O-ND2 3.19Å; T102-N145 PolarHBondContact O-OD1 3.47Å; T102-N145 PolarHBondContact OG1-OD1 3.32Å; T102-P151 WeakPolarHBondContact O-CA 3.42Å; T102-V152 PolarHBondContact N-O 2.89Å; T102-V152 PolarHBondContact O-N 2.82Å; T102-M179 HydrophobicContact CG2-CE 3.83Å; T102-R180 CarbonylContact C-O 3.59Å; T102-R180 WeakPolarHBondContact CA-O 3.27Å
103	Q	95.4	Very high	88.4	Confident	11 Å²	11	40.6 Å²	40.6	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.7	178	-167.4	-175.2	23.4	0	0	109.1	I64 N145 S149 M179 R180	I64-Q103 HydrophobicContact CD1-CB 3.62Å; I64-Q103 HydrophobicContact CG1-CB 4.43Å; Q103-N145 WeakPolarHBondContact CA-ND2 3.47Å; Q103-N145 PolarHBondContact N-OD1 3.13Å; Q103-S149 PolarHBondContact NE2-O 3.19Å; Q103-M179 CarbonylContact O-C 3.57Å; Q103-R180 HydrophobicContact CB-CB 4.24Å; Q103-R180 PolarHBondContact N-O 2.9Å; Q103-R180 PolarHBondContact O-N 3.4Å
104	G	93.4	Very high	88.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.			trans	-78.3	-170	175	0	0	0	0	0	113.5	T148 R180	G104-T148 CarbonylContact C-O 3.53Å; G104-T148 VanDerWaalsContact C-O 3.26Å; G104-T148 PolarHBondContact N-O 3.45Å; G104-R180 PolarHBondContact O-NE 3.19Å; G104-R180 PolarHBondContact O-NH2 3.39Å
105	R	92.2	Very high	88.8	Confident	43 Å²	43	37.6 Å²	37.6	16%	0.162	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-91.9	106.2	171.3	-171.8	-176.2	81.5	87.4	-9	109.4	G70 A72 G111 E113 T148 C178	G70-R105 WeakPolarHBondContact O-CD 3.43Å; G70-R105 VanDerWaalsContact O-CG 3.29Å; G70-R105 WeakPolarHBondContact O-CG 3.38Å; A72-R105 HydrophobicContact CB-CB 3.63Å; A72-R105 HydrophobicContact CB-CG 3.83Å; R105-G111 CarbonylContact O-C 3.59Å; R105-G111 VanDerWaalsContact O-C 3.26Å; R105-G111 VanDerWaalsContact O-CA 3.23Å; R105-G111 WeakPolarHBondContact O-CA 3.37Å; R105-E113 IonicContact CZ-OE1 3.76Å; R105-E113 IonicContact CZ-OE2 2.77Å; R105-E113 PolarHBondContact N-O 3.17Å; R105-E113 IonicContact NE-OE1 3.2Å; R105-E113 IonicContact NE-OE2 2.75Å; R105-E113 PolarHBondContact NE-OE2 3.03Å; R105-E113 VanDerWaalsContact NH2-CD 3.29Å; R105-E113 IonicContact NH2-OE1 3.09Å; R105-E113 PolarHBondContact NH2-OE1 3.31Å; R105-E113 IonicContact NH2-OE2 3.14Å; R105-E113 PolarHBondContact NH2-OE2 3.18Å; R105-T148 VanDerWaalsContact O-CB 3.27Å; R105-T148 WeakPolarHBondContact O-CB 3.42Å; R105-T148 VanDerWaalsContact O-CG2 3.31Å; R105-T148 WeakPolarHBondContact O-CG2 3.43Å; R105-C178 HydrophobicContact CB-CB 3.66Å
106	Y	82	Confident	89	Confident	97 Å²	97	38.2 Å²	38.2	38%	0.38	20%	0.197	S	C	.	.			trans	-87.1	-54.5	177.6	175.4	-104.2	0	0	0	111.5	E67 G109 V110 G111	E67-Y106 WeakPolarHBondContact OE1-CB 3.42Å; E67-Y106 WeakPolarHBondContact OE1-CD1 3.26Å; Y106-G109 PolarHBondContact O-N 3.09Å; Y106-G109 VanDerWaalsContact O-N 3.1Å; Y106-V110 PolarHBondContact O-N 3.34Å; Y106-G111 VanDerWaalsContact O-CA 3.27Å; Y106-G111 WeakPolarHBondContact O-CA 3.44Å; Y106-G111 PolarHBondContact O-N 2.99Å
107	G	73.1	Confident	89.2	Confident	18 Å²	18	37.9 Å²	37.9	19%	0.186	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	59.1	170.9	0	0	0	0	0	112.1	E67 G109 V110	E67-G107 VanDerWaalsContact OE2-CA 3.26Å; E67-G107 WeakPolarHBondContact OE2-CA 3.36Å; E67-G107 PolarHBondContact OE2-N 3.08Å; G107-G109 PolarHBondContact O-N 2.78Å; G107-G109 VanDerWaalsContact O-N 3.15Å; G107-V110 WeakPolarHBondContact O-CB 3.45Å; G107-V110 PolarHBondContact O-N 3.31Å
108	E	73.4	Confident	89.3	Confident	176 Å²	176	38 Å²	38	82%	0.822	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	30.2	-175.3	-56.4	-173.5	165.2	0	0	114.2	E67 V110	E67-E108 PolarHBondContact OE2-N 2.85Å; E67-E108 VanDerWaalsContact OE2-N 3.15Å; E108-V110 VanDerWaalsContact C-N 3.31Å; E108-V110 PolarHBondContact O-N 3.41Å
109	G	71.4	Confident	89.4	Confident	32 Å²	32	37.7 Å²	37.7	33%	0.33	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-3.5	-179.9	0	0	0	0	0	115.3	Y106 G107 G111	Y106-G109 PolarHBondContact O-N 3.09Å; Y106-G109 VanDerWaalsContact O-N 3.1Å; G107-G109 PolarHBondContact O-N 2.78Å; G107-G109 VanDerWaalsContact O-N 3.15Å; G109-G111 VanDerWaalsContact C-N 3.35Å
110	V	75	Confident	89.5	Confident	115 Å²	115	37.6 Å²	37.6	70%	0.697	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.6	175.2	-172.9	0	0	0	0	111.3	Y106 G107 E108	Y106-V110 PolarHBondContact O-N 3.34Å; G107-V110 WeakPolarHBondContact O-CB 3.45Å; G107-V110 PolarHBondContact O-N 3.31Å; E108-V110 VanDerWaalsContact C-N 3.31Å; E108-V110 PolarHBondContact O-N 3.41Å
111	G	77.1	Confident	89.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.			trans	-77	139	177.1	0	0	0	0	0	113.7	R105 Y106 G109	R105-G111 CarbonylContact O-C 3.59Å; R105-G111 VanDerWaalsContact O-C 3.26Å; R105-G111 VanDerWaalsContact O-CA 3.23Å; R105-G111 WeakPolarHBondContact O-CA 3.37Å; Y106-G111 VanDerWaalsContact O-CA 3.27Å; Y106-G111 WeakPolarHBondContact O-CA 3.44Å; Y106-G111 PolarHBondContact O-N 2.99Å; G109-G111 VanDerWaalsContact C-N 3.35Å
112	Q	86.1	Confident	89.5	Confident	132 Å²	132	37.8 Å²	37.8	62%	0.617	20%	0.195	S	C	*	.			trans	-130.8	1.9	-175.2	-60.9	-63	-40.8	0	0	111.9	Y114 T148	Q112-Y114 WeakPolarHBondContact O-CD1 3.5Å; Q112-T148 VanDerWaalsContact C-CG2 3.5Å
113	E	91.7	Very high	89.5	Confident	44 Å²	44	41 Å²	41	21%	0.206	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-104.4	124.8	-169.7	-49.8	87.9	155.8	0	0	111.4	R105 T176 C178	R105-E113 IonicContact CZ-OE1 3.76Å; R105-E113 IonicContact CZ-OE2 2.77Å; R105-E113 PolarHBondContact N-O 3.17Å; R105-E113 IonicContact NE-OE1 3.2Å; R105-E113 IonicContact NE-OE2 2.75Å; R105-E113 PolarHBondContact NE-OE2 3.03Å; R105-E113 VanDerWaalsContact NH2-CD 3.29Å; R105-E113 IonicContact NH2-OE1 3.09Å; R105-E113 PolarHBondContact NH2-OE1 3.31Å; R105-E113 IonicContact NH2-OE2 3.14Å; R105-E113 PolarHBondContact NH2-OE2 3.18Å; E113-T176 HydrophobicContact CG-CG2 3.98Å; E113-C178 HydrophobicContact CB-CB 4.01Å; E113-C178 VanDerWaalsContact CB-SG 3.55Å
114	Y	94	Very high	89.5	Confident	51 Å²	51	40.4 Å²	40.4	20%	0.2	21%	0.205	C	C	.	.			trans	-150.9	155.7	179.8	58.2	-83.5	0	0	0	109.6	Q112 T116 N145 N146 D147 T148 R175 C178	Q112-Y114 WeakPolarHBondContact O-CD1 3.5Å; Y114-T116 HydrophobicContact CD2-CG2 4.26Å; Y114-T116 HydrophobicContact CE2-CG2 3.82Å; Y114-N145 HydrophobicContact CD2-CB 4.1Å; Y114-N145 WeakPolarHBondContact CD2-O 3.36Å; Y114-N145 VanDerWaalsContact CE2-O 3.22Å; Y114-N145 WeakPolarHBondContact CE2-O 3.49Å; Y114-N146 VanDerWaalsContact CE2-C 3.4Å; Y114-N146 WeakPolarHBondContact CE2-O 3.42Å; Y114-N146 PolarHBondContact OH-O 2.89Å; Y114-N146 VanDerWaalsContact OH-O 3.05Å; Y114-D147 WeakPolarHBondContact CB-O 3.46Å; Y114-T148 HydrophobicContact CD1-CG2 3.81Å; Y114-R175 VanDerWaalsContact CE1-NH2 3.26Å; Y114-C178 WeakPolarHBondContact CA-O 3.34Å
115	A	95.6	Very high	89.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.			trans	-87.9	125.5	171.5	0	0	0	0	0	109.9	A144 N145 P169 V177 C178 M179	A115-A144 VanDerWaalsContact O-CB 3.32Å; A115-A144 WeakPolarHBondContact O-CB 3.49Å; A115-N145 PolarHBondContact O-N 3.35Å; A115-P169 HydrophobicContact CB-CB 4.28Å; A115-V177 HydrophobicContact CB-CB 4.42Å; A115-C178 PolarHBondContact N-O 3.13Å; A115-M179 HydrophobicContact CB-CE 3.99Å; A115-M179 HydrophobicContact CB-CG 3.74Å; A115-M179 HydrophobicContact CB-SD 3.81Å
116	T	94.9	Very high	89.2	Confident	42 Å²	42	44.5 Å²	44.5	26%	0.258	23%	0.232	S	C	.	.	S	Bend	trans	-77.6	-27.8	175.9	44.3	0	0	0	0	112.5	Y114 A144 R175	Y114-T116 HydrophobicContact CD2-CG2 4.26Å; Y114-T116 HydrophobicContact CE2-CG2 3.82Å; T116-A144 PolarHBondContact O-N 2.98Å; T116-R175 VanDerWaalsContact CG2-NH1 3.32Å
117	A	97.3	Very high	89.8	Confident	8 Å²	8	40.7 Å²	40.7	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	171.4	173.3	0	0	0	0	0	111.1	I141 L142 W170	A117-I141 HydrophobicContact CB-CG2 3.61Å; A117-L142 CarbonylContact C-O 3.56Å; A117-L142 WeakPolarHBondContact CA-O 3.38Å; A117-L142 WeakPolarHBondContact CB-O 3.35Å; A117-W170 HydrophobicContact CB-CE3 3.92Å; A117-W170 PolarHBondContact N-O 3.21Å; A117-W170 PolarHBondContact O-N 3.49Å; A117-W170 VanDerWaalsContact O-O 3.08Å
118	Y	98	Very high	90.5	Very high	1 Å²	1	45 Å²	45	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.2	177.9	64.2	-70.7	0	0	0	110.7	I100 T102 I120 L142 A144 R154 I167 V168	I100-Y118 HydrophobicContact CG2-CE2 4.45Å; T102-Y118 HydrophobicContact CG2-CD1 4.48Å; T102-Y118 HydrophobicContact CG2-CE1 4.11Å; Y118-I120 HydrophobicContact CD2-CG1 3.88Å; Y118-I120 HydrophobicContact CE2-CD1 3.94Å; Y118-I120 HydrophobicContact CE2-CG1 3.57Å; Y118-L142 HydrophobicContact CD1-CB 4.36Å; Y118-L142 WeakPolarHBondContact CD1-O 3.44Å; Y118-L142 HydrophobicContact CE1-CB 4.02Å; Y118-L142 HydrophobicContact CE2-CD1 4.25Å; Y118-L142 PolarHBondContact N-O 3.48Å; Y118-L142 PolarHBondContact O-N 3.18Å; Y118-A144 HydrophobicContact CD1-CB 3.69Å; Y118-A144 HydrophobicContact CE1-CB 3.91Å; Y118-R154 WeakPolarHBondContact OH-CB 3.46Å; Y118-I167 HydrophobicContact CD2-CG2 3.82Å; Y118-I167 HydrophobicContact CG-CG2 4.19Å; Y118-V168 CarbonylContact C-O 3.59Å; Y118-V168 WeakPolarHBondContact CA-O 3.26Å; Y118-V168 WeakPolarHBondContact CB-O 3.21Å
119	S	97.6	Very high	91.5	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	157.6	161.1	54.2	0	0	0	0	110.1	E140 V168	S119-E140 WeakPolarHBondContact CA-O 3.28Å; S119-E140 WeakPolarHBondContact CB-O 3.42Å; S119-V168 PolarHBondContact N-O 2.82Å; S119-V168 PolarHBondContact O-N 2.94Å; S119-V168 WeakPolarHBondContact OG-CB 3.48Å
120	I	98.4	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.7	178.2	-51.4	161	0	0	0	108.1	I100 Y118 Y133 L142 M156 F160 I165 R166 I167	I100-I120 HydrophobicContact CD1-CD1 3.54Å; I100-I120 HydrophobicContact CD1-CG1 3.96Å; I100-I120 HydrophobicContact CD1-CG2 4.4Å; Y118-I120 HydrophobicContact CD2-CG1 3.88Å; Y118-I120 HydrophobicContact CE2-CD1 3.94Å; Y118-I120 HydrophobicContact CE2-CG1 3.57Å; I120-Y133 HydrophobicContact CD1-CD1 4.13Å; I120-Y133 HydrophobicContact CD1-CG 4.27Å; I120-Y133 PolarHBondContact O-N 2.91Å; I120-L142 HydrophobicContact CD1-CD1 3.53Å; I120-L142 HydrophobicContact CG1-CD1 4.14Å; I120-M156 HydrophobicContact CD1-CE 4.04Å; I120-M156 HydrophobicContact CD1-SD 3.68Å; I120-F160 HydrophobicContact CG2-CZ 4.01Å; I120-I165 HydrophobicContact CG2-CG2 3.77Å; I120-R166 WeakPolarHBondContact CA-O 3.45Å; I120-I167 HydrophobicContact CG1-CD1 4.49Å
121	E	98.2	Very high	93.7	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.6	164	-54.6	171.7	176.4	0	0	108.2	R84 W130 H131 R132 I165 R166 V168	R84-E121 IonicContact CZ-OE1 2.82Å; R84-E121 IonicContact CZ-OE2 3.25Å; R84-E121 IonicContact NE-OE1 3.74Å; R84-E121 PolarHBondContact NE-OE1 3.22Å; R84-E121 VanDerWaalsContact NE-OE1 3.1Å; R84-E121 IonicContact NH2-OE1 3.35Å; R84-E121 PolarHBondContact NH2-OE1 3.09Å; R84-E121 IonicContact NH2-OE2 2.95Å; R84-E121 PolarHBondContact NH2-OE2 2.82Å; E121-W130 HydrophobicContact CB-CB 4.49Å; E121-W130 HydrophobicContact CB-CE3 3.91Å; E121-H131 CarbonylContact C-O 3.26Å; E121-H131 WeakPolarHBondContact CA-O 3.32Å; E121-R132 IonicContact OE1-NH2 2.75Å; E121-R132 PolarHBondContact OE1-NH2 3.03Å; E121-I165 CarbonylContact O-C 3.44Å; E121-I165 WeakPolarHBondContact O-CA 3.46Å; E121-R166 HydrophobicContact CB-CB 4.2Å; E121-R166 PolarHBondContact N-O 3.19Å; E121-R166 PolarHBondContact O-N 2.9Å; E121-R166 IonicContact OE2-NH1 2.73Å; E121-V168 HydrophobicContact CG-CG2 4.15Å
122	Y	98.2	Very high	94.6	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.02	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	162.9	178.9	68.2	-88.2	0	0	0	112.5	L127 W130 H131 F160 A162 K164 D214	Y122-L127 HydrophobicContact CE2-CD1 4.39Å; Y122-W130 WeakPolarHBondContact O-CA 3.46Å; Y122-H131 HydrophobicContact CE1-CB 4.14Å; Y122-H131 AromaticContact CE1-ND1 3.52Å; Y122-H131 HydrophobicContact CE2-CB 4.21Å; Y122-H131 AromaticContact CZ-ND1 3.43Å; Y122-H131 PolarHBondContact N-O 2.93Å; Y122-H131 PolarHBondContact O-N 3.44Å; Y122-H131 PolarHBondContact OH-ND1 3.38Å; Y122-F160 AromaticContact CD1-CD2 3.66Å; Y122-F160 HydrophobicContact CD1-CD2 3.66Å; Y122-F160 AromaticContact CD1-CE2 3.77Å; Y122-F160 HydrophobicContact CD1-CE2 3.77Å; Y122-F160 HydrophobicContact CD1-CG 4.2Å; Y122-F160 HydrophobicContact CD1-CZ 4.37Å; Y122-F160 AromaticContact CD2-CD2 3.68Å; Y122-F160 HydrophobicContact CD2-CD2 3.68Å; Y122-F160 HydrophobicContact CD2-CE2 4.22Å; Y122-F160 HydrophobicContact CE1-CB 4.31Å; Y122-F160 AromaticContact CE1-CD2 3.92Å; Y122-F160 HydrophobicContact CE1-CD2 3.92Å; Y122-F160 HydrophobicContact CE1-CE2 4.43Å; Y122-F160 HydrophobicContact CE1-CG 4.04Å; Y122-F160 HydrophobicContact CE2-CB 4.23Å; Y122-F160 AromaticContact CE2-CD2 3.94Å; Y122-F160 HydrophobicContact CE2-CD2 3.94Å; Y122-F160 HydrophobicContact CE2-CG 4.39Å; Y122-F160 AromaticContact CG-CD2 3.52Å; Y122-F160 HydrophobicContact CG-CD2 3.52Å; Y122-F160 AromaticContact CG-CE2 3.63Å; Y122-F160 HydrophobicContact CG-CE2 3.63Å; Y122-F160 HydrophobicContact CG-CG 4.44Å; Y122-A162 HydrophobicContact CD2-CB 4.29Å; Y122-A162 HydrophobicContact CG-CB 4.49Å; Y122-K164 CarbonylContact C-O 3.52Å; Y122-K164 WeakPolarHBondContact CA-O 3.39Å; Y122-D214 HydrophobicContact CE2-CB 4.44Å; Y122-D214 WeakPolarHBondContact CE2-OD2 3.29Å; Y122-D214 WeakPolarHBondContact OH-CB 3.36Å; Y122-D214 PolarHBondContact OH-OD2 3.23Å
123	W	97.1	Very high	95.1	Very high	67 Å²	67	36.7 Å²	36.7	25%	0.254	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145	-179.6	-179.8	80.7	0	0	0	112.2	P125 L127 W130 S163 K164	W123-P125 HydrophobicContact CH2-CB 4.26Å; W123-P125 HydrophobicContact CH2-CG 4.12Å; W123-P125 HydrophobicContact CZ3-CG 4.32Å; W123-L127 PolarHBondContact NE1-O 2.89Å; W123-W130 HydrophobicContact CB-CD2 4.07Å; W123-W130 HydrophobicContact CB-CE3 4.05Å; W123-W130 HydrophobicContact CB-CH2 4.41Å; W123-W130 HydrophobicContact CB-CZ2 4.41Å; W123-W130 HydrophobicContact CB-CZ3 4.22Å; W123-S163 WeakPolarHBondContact CZ3-OG 3.3Å; W123-S163 PolarHBondContact O-N 3.05Å; W123-S163 PolarHBondContact O-OG 3.09Å; W123-S163 VanDerWaalsContact O-OG 3.09Å; W123-K164 HydrophobicContact CE3-CB 4.47Å; W123-K164 HydrophobicContact CE3-CD 4.02Å; W123-K164 HydrophobicContact CE3-CG 3.99Å; W123-K164 HydrophobicContact CZ3-CD 4.34Å; W123-K164 HydrophobicContact CZ3-CG 4.49Å; W123-K164 PolarHBondContact N-O 3.09Å; W123-K164 PolarHBondContact O-N 3.17Å; W123-K164 VanDerWaalsContact O-N 3.08Å
124	R	94.3	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.			trans	-135.2	160.3	166.7	69.5	167.9	-179.3	-73.1	-9.9	110.2	E126 L127 D214	R124-E126 WeakPolarHBondContact CD-OE2 3.38Å; R124-E126 HydrophobicContact CG-CB 4.37Å; R124-E126 IonicContact NE-OE2 2.92Å; R124-E126 PolarHBondContact O-N 2.96Å; R124-L127 HydrophobicContact CG-CD1 4.12Å; R124-L127 HydrophobicContact CG-CG 3.88Å; R124-L127 PolarHBondContact O-N 3.46Å; R124-D214 IonicContact CZ-OD1 2.94Å; R124-D214 IonicContact CZ-OD2 2.71Å; R124-D214 IonicContact NH1-OD1 2.97Å; R124-D214 PolarHBondContact NH1-OD1 3.12Å; R124-D214 VanDerWaalsContact NH1-OD1 3.1Å; R124-D214 IonicContact NH1-OD2 3.15Å; R124-D214 PolarHBondContact NH1-OD2 3.46Å; R124-D214 IonicContact NH2-OD1 3.23Å; R124-D214 PolarHBondContact NH2-OD1 3Å; R124-D214 IonicContact NH2-OD2 2.72Å
125	P	90.3	Very high	95.1	Very high	80 Å²	80	36.7 Å²	36.7	52%	0.519	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.8	-174.4	-28.6	37.4	0	0	0	116	W123	W123-P125 HydrophobicContact CH2-CB 4.26Å; W123-P125 HydrophobicContact CH2-CG 4.12Å; W123-P125 HydrophobicContact CZ3-CG 4.32Å
126	E	90.7	Very high	94.7	Very high	48 Å²	48	40 Å²	40	22%	0.224	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.4	178.9	-67	70.1	-158.2	0	0	114.2	R94 R124 R193	R94-E126 IonicContact NH1-OE1 3.34Å; R124-E126 WeakPolarHBondContact CD-OE2 3.38Å; R124-E126 HydrophobicContact CG-CB 4.37Å; R124-E126 IonicContact NE-OE2 2.92Å; R124-E126 PolarHBondContact O-N 2.96Å; E126-R193 HydrophobicContact CG-CB 3.72Å; E126-R193 HydrophobicContact CG-CG 3.86Å; E126-R193 WeakPolarHBondContact OE1-CG 3.36Å; E126-R193 IonicContact OE1-CZ 3.66Å; E126-R193 IonicContact OE1-NE 3.1Å; E126-R193 PolarHBondContact OE1-NE 3.47Å; E126-R193 VanDerWaalsContact OE1-NE 3.14Å
127	L	93	Very high	94.4	Very high	17 Å²	17	42.5 Å²	42.5	9%	0.089	23%	0.225	C	C	.	.			trans	-92.8	136.1	-176.2	-64.3	-179.8	0	0	0	112.6	Y122 W123 R124 G129 H131 D214	Y122-L127 HydrophobicContact CE2-CD1 4.39Å; W123-L127 PolarHBondContact NE1-O 2.89Å; R124-L127 HydrophobicContact CG-CD1 4.12Å; R124-L127 HydrophobicContact CG-CG 3.88Å; R124-L127 PolarHBondContact O-N 3.46Å; L127-G129 PolarHBondContact O-N 3.39Å; L127-H131 HydrophobicContact CD1-CB 4.12Å; L127-D214 WeakPolarHBondContact CD2-O 3.01Å
128	A	89.2	Confident	93.9	Very high	110 Å²	110	46.9 Å²	46.9	91%	0.909	24%	0.244	S	C	*	.	S	Bend	trans	-65.7	-21	177.2	0	0	0	0	0	113.9
129	G	93.8	Very high	93.7	Very high	38 Å²	38	50.6 Å²	50.6	39%	0.392	26%	0.264	S	S	.	.	S	Bend	trans	-162.1	-177.3	-178	0	0	0	0	0	112.6	L127 H131	L127-G129 PolarHBondContact O-N 3.39Å; G129-H131 PolarHBondContact O-N 3.32Å
130	W	96.1	Very high	93.6	Very high	85 Å²	85	53.2 Å²	53.2	32%	0.322	28%	0.276	S	S	.	.			trans	-70	122.3	176.1	-72.3	81.4	0	0	0	110.1	Q88 E121 Y122 W123 K164 R166	Q88-W130 HydrophobicContact CG-CH2 4.05Å; E121-W130 HydrophobicContact CB-CB 4.49Å; E121-W130 HydrophobicContact CB-CE3 3.91Å; Y122-W130 WeakPolarHBondContact O-CA 3.46Å; W123-W130 HydrophobicContact CB-CD2 4.07Å; W123-W130 HydrophobicContact CB-CE3 4.05Å; W123-W130 HydrophobicContact CB-CH2 4.41Å; W123-W130 HydrophobicContact CB-CZ2 4.41Å; W123-W130 HydrophobicContact CB-CZ3 4.22Å; W130-K164 HydrophobicContact CH2-CB 3.66Å; W130-K164 HydrophobicContact CZ2-CB 4.33Å; W130-K164 HydrophobicContact CZ3-CB 4.33Å; W130-R166 VanDerWaalsContact CE2-NH1 3.33Å; W130-R166 HydrophobicContact CE3-CG 4.33Å; W130-R166 HydrophobicContact CH2-CG 3.8Å; W130-R166 HydrophobicContact CZ2-CG 4.47Å; W130-R166 VanDerWaalsContact CZ2-CZ 3.45Å; W130-R166 HydrophobicContact CZ3-CB 4.17Å; W130-R166 HydrophobicContact CZ3-CG 3.73Å
131	H	96.3	Very high	93.5	Very high	57 Å²	57	56 Å²	56	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	151.8	171	-166.7	-107.8	0	0	0	110	E121 Y122 L127 G129 D214	E121-H131 CarbonylContact C-O 3.26Å; E121-H131 WeakPolarHBondContact CA-O 3.32Å; Y122-H131 HydrophobicContact CE1-CB 4.14Å; Y122-H131 AromaticContact CE1-ND1 3.52Å; Y122-H131 HydrophobicContact CE2-CB 4.21Å; Y122-H131 AromaticContact CZ-ND1 3.43Å; Y122-H131 PolarHBondContact N-O 2.93Å; Y122-H131 PolarHBondContact O-N 3.44Å; Y122-H131 PolarHBondContact OH-ND1 3.38Å; L127-H131 HydrophobicContact CD1-CB 4.12Å; G129-H131 PolarHBondContact O-N 3.32Å; H131-D214 HydrophobicContact CB-CB 4.25Å; H131-D214 WeakPolarHBondContact ND1-CB 3.4Å
132	R	96	Very high	93.4	Very high	87 Å²	87	55.5 Å²	55.5	33%	0.328	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	178.3	-174.2	176	-75	172.5	-0.9	110	E121 E140	E121-R132 IonicContact OE1-NH2 2.75Å; E121-R132 PolarHBondContact OE1-NH2 3.03Å; R132-E140 WeakPolarHBondContact CD-OE2 3.22Å; R132-E140 HydrophobicContact CG-CG 4.28Å; R132-E140 IonicContact CZ-OE2 2.76Å; R132-E140 IonicContact NE-OE2 3.14Å; R132-E140 IonicContact NH1-OE2 3.74Å; R132-E140 PolarHBondContact NH1-OE2 2.95Å
133	Y	97.2	Very high	93.3	Very high	12 Å²	12	58.9 Å²	58.9	5%	0.047	31%	0.31	C	S	.	.			trans	-68	145.8	178.3	179.9	-91.9	0	0	0	111.4	I120 D135 L142 M156 D157 S158 F160	I120-Y133 HydrophobicContact CD1-CD1 4.13Å; I120-Y133 HydrophobicContact CD1-CG 4.27Å; I120-Y133 PolarHBondContact O-N 2.91Å; Y133-D135 HydrophobicContact CE1-CB 4.46Å; Y133-L142 HydrophobicContact CD1-CD1 3.99Å; Y133-L142 HydrophobicContact CE1-CD1 4.07Å; Y133-L142 HydrophobicContact CE1-CD2 4.31Å; Y133-M156 HydrophobicContact CD1-SD 4.42Å; Y133-M156 HydrophobicContact CD2-SD 4.38Å; Y133-M156 HydrophobicContact CE1-SD 4.04Å; Y133-M156 HydrophobicContact CE2-CB 4.27Å; Y133-M156 HydrophobicContact CE2-SD 3.98Å; Y133-D157 PolarHBondContact OH-N 2.97Å; Y133-S158 WeakPolarHBondContact CE2-O 3.4Å; Y133-F160 AromaticContact CD2-CD1 3.52Å; Y133-F160 HydrophobicContact CD2-CD1 3.52Å; Y133-F160 AromaticContact CD2-CE1 3.68Å; Y133-F160 HydrophobicContact CD2-CE1 3.68Å; Y133-F160 HydrophobicContact CD2-CG 4.49Å; Y133-F160 AromaticContact CE2-CD1 3.87Å; Y133-F160 HydrophobicContact CE2-CD1 3.87Å; Y133-F160 HydrophobicContact CE2-CE1 4.15Å; Y133-F160 HydrophobicContact CG-CE1 4.34Å
134	K	94.1	Very high	93.3	Very high	86 Å²	86	56.1 Å²	56.1	37%	0.374	30%	0.302	S	S	.	.			trans	-131.1	139.2	172.6	-68.9	176.5	-176.6	179	0	109.6	N139 E140	K134-N139 WeakPolarHBondContact CA-O 3.35Å; K134-E140 HydrophobicContact CD-CG 4.4Å; K134-E140 WeakPolarHBondContact CE-OE1 3.45Å; K134-E140 HydrophobicContact CG-CG 3.79Å; K134-E140 IonicContact NZ-OE1 3.65Å
135	D	91.4	Very high	93.3	Very high	10 Å²	10	56.1 Å²	56.1	5%	0.053	30%	0.302	C	S	.	.			trans	-71.6	175.8	170.4	87.6	-9.6	0	0	0	111.5	Y133 N137 E138 N139 L142 R154 D157	Y133-D135 HydrophobicContact CE1-CB 4.46Å; D135-N137 PolarHBondContact O-N 3.14Å; D135-N137 VanDerWaalsContact OD1-CA 3.27Å; D135-N137 WeakPolarHBondContact OD1-CA 3.4Å; D135-N137 WeakPolarHBondContact OD1-CB 3.43Å; D135-N137 PolarHBondContact OD1-N 3.18Å; D135-E138 PolarHBondContact O-N 2.69Å; D135-E138 PolarHBondContact OD1-N 3.16Å; D135-E138 VanDerWaalsContact OD1-N 3.14Å; D135-N139 PolarHBondContact N-O 2.97Å; D135-N139 WeakPolarHBondContact OD1-CB 3.45Å; D135-N139 PolarHBondContact OD1-N 3.21Å; D135-N139 PolarHBondContact OD1-ND2 2.86Å; D135-N139 PolarHBondContact OD2-ND2 2.9Å; D135-L142 HydrophobicContact CB-CD2 4.02Å; D135-R154 IonicContact OD2-NH2 3.95Å; D135-D157 WeakPolarHBondContact CB-OD2 3.46Å
136	R	86.9	Confident	93.5	Very high	69 Å²	69	59 Å²	59	26%	0.26	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.7	-179.2	75.3	-159.2	-40.1	-131.4	5.3	115.6	D157 R207 C243 Y245 D246	R136-D157 HydrophobicContact CB-CB 4.03Å; R136-D157 WeakPolarHBondContact CG-OD2 3.44Å; R136-D157 PolarHBondContact N-OD2 2.93Å; R136-R207 PolarHBondContact O-NH1 3.36Å; R136-C243 PolarHBondContact NH1-SG 3.19Å; R136-Y245 VanDerWaalsContact CA-CE2 3.45Å; R136-Y245 HydrophobicContact CB-CD1 3.86Å; R136-Y245 HydrophobicContact CB-CD2 3.66Å; R136-Y245 HydrophobicContact CB-CE1 3.87Å; R136-Y245 HydrophobicContact CB-CE2 3.69Å; R136-Y245 HydrophobicContact CB-CG 3.75Å; R136-D246 IonicContact CZ-OD1 2.7Å; R136-D246 IonicContact NH2-OD1 3.15Å; R136-D246 PolarHBondContact NH2-OD1 3.45Å; R136-D246 IonicContact NH2-OD2 3.85Å
137	N	87.7	Confident	93.6	Very high	94 Å²	94	59.2 Å²	59.2	50%	0.503	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.9	173.8	-55.3	-57.7	0	0	0	112.5	D135 N139 R207	D135-N137 PolarHBondContact O-N 3.14Å; D135-N137 VanDerWaalsContact OD1-CA 3.27Å; D135-N137 WeakPolarHBondContact OD1-CA 3.4Å; D135-N137 WeakPolarHBondContact OD1-CB 3.43Å; D135-N137 PolarHBondContact OD1-N 3.18Å; N137-N139 VanDerWaalsContact C-N 3.34Å; N137-R207 PolarHBondContact O-NH2 2.9Å
138	E	88.6	Confident	93.4	Very high	101 Å²	101	59.2 Å²	59.2	47%	0.472	32%	0.316	S	S	.	.			trans	73.8	15.5	-174.9	-56.1	165.6	-132.9	0	0	114.6	D135 E140 R207	D135-E138 PolarHBondContact O-N 2.69Å; D135-E138 PolarHBondContact OD1-N 3.16Å; D135-E138 VanDerWaalsContact OD1-N 3.14Å; E138-E140 PolarHBondContact O-N 2.88Å; E138-R207 IonicContact OE1-CZ 3.98Å; E138-R207 IonicContact OE1-NE 3.1Å; E138-R207 PolarHBondContact OE1-NE 3.07Å; E138-R207 IonicContact OE1-NH2 2.67Å; E138-R207 PolarHBondContact OE1-NH2 2.79Å
139	N	93.3	Very high	93.3	Very high	78 Å²	78	56.5 Å²	56.5	42%	0.417	29%	0.291	S	S	.	.			trans	-75.7	126.4	176	-56.7	-55.8	0	0	0	111.2	K134 D135 N137	K134-N139 WeakPolarHBondContact CA-O 3.35Å; D135-N139 PolarHBondContact N-O 2.97Å; D135-N139 WeakPolarHBondContact OD1-CB 3.45Å; D135-N139 PolarHBondContact OD1-N 3.21Å; D135-N139 PolarHBondContact OD1-ND2 2.86Å; D135-N139 PolarHBondContact OD2-ND2 2.9Å; N137-N139 VanDerWaalsContact C-N 3.34Å
140	E	95.2	Very high	93.2	Very high	62 Å²	62	57.9 Å²	57.9	29%	0.29	29%	0.291	S	S	.	.	S	Bend	trans	-83.4	-22.4	170.5	-67.6	-176.7	178.1	0	0	113	S119 R132 K134 E138	S119-E140 WeakPolarHBondContact CA-O 3.28Å; S119-E140 WeakPolarHBondContact CB-O 3.42Å; R132-E140 WeakPolarHBondContact CD-OE2 3.22Å; R132-E140 HydrophobicContact CG-CG 4.28Å; R132-E140 IonicContact CZ-OE2 2.76Å; R132-E140 IonicContact NE-OE2 3.14Å; R132-E140 IonicContact NH1-OE2 3.74Å; R132-E140 PolarHBondContact NH1-OE2 2.95Å; K134-E140 HydrophobicContact CD-CG 4.4Å; K134-E140 WeakPolarHBondContact CE-OE1 3.45Å; K134-E140 HydrophobicContact CG-CG 3.79Å; K134-E140 IonicContact NZ-OE1 3.65Å; E138-E140 PolarHBondContact O-N 2.88Å
141	I	96.6	Very high	93.1	Very high	58 Å²	58	56.2 Å²	56.2	30%	0.297	29%	0.292	S	S	.	.			trans	-98.6	119.5	-179.6	-53.4	-54.5	0	0	0	109	A117 W170	A117-I141 HydrophobicContact CB-CG2 3.61Å; I141-W170 HydrophobicContact CD1-CB 4.34Å; I141-W170 HydrophobicContact CD1-CD2 4.27Å; I141-W170 HydrophobicContact CD1-CG 3.87Å; I141-W170 HydrophobicContact CG1-CD2 4.38Å; I141-W170 HydrophobicContact CG1-CG 4.48Å; I141-W170 HydrophobicContact CG2-CB 4.49Å; I141-W170 HydrophobicContact CG2-CD2 3.85Å; I141-W170 HydrophobicContact CG2-CE3 3.76Å; I141-W170 HydrophobicContact CG2-CG 4.22Å; I141-W170 HydrophobicContact CG2-CZ3 4.15Å
142	L	96.6	Very high	93.2	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.8	-178.3	-54.8	-179.9	0	0	0	110.3	A117 Y118 I120 Y133 D135 R154 M156	A117-L142 CarbonylContact C-O 3.56Å; A117-L142 WeakPolarHBondContact CA-O 3.38Å; A117-L142 WeakPolarHBondContact CB-O 3.35Å; Y118-L142 HydrophobicContact CD1-CB 4.36Å; Y118-L142 WeakPolarHBondContact CD1-O 3.44Å; Y118-L142 HydrophobicContact CE1-CB 4.02Å; Y118-L142 HydrophobicContact CE2-CD1 4.25Å; Y118-L142 PolarHBondContact N-O 3.48Å; Y118-L142 PolarHBondContact O-N 3.18Å; I120-L142 HydrophobicContact CD1-CD1 3.53Å; I120-L142 HydrophobicContact CG1-CD1 4.14Å; Y133-L142 HydrophobicContact CD1-CD1 3.99Å; Y133-L142 HydrophobicContact CE1-CD1 4.07Å; Y133-L142 HydrophobicContact CE1-CD2 4.31Å; D135-L142 HydrophobicContact CB-CD2 4.02Å; L142-R154 HydrophobicContact CD1-CG 4.39Å; L142-M156 HydrophobicContact CD1-CE 4.44Å
143	P	96	Very high	93.2	Very high	76 Å²	76	55.1 Å²	55.1	49%	0.494	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.5	176	28.7	-34.8	0	0	0	111.3
144	A	95.8	Very high	93.1	Very high	9 Å²	9	57.9 Å²	57.9	7%	0.074	31%	0.309	C	S	.	.			trans	-122.1	-117.2	176.6	0	0	0	0	0	110.8	T102 A115 T116 Y118	T102-A144 WeakPolarHBondContact OG1-CB 3.4Å; A115-A144 VanDerWaalsContact O-CB 3.32Å; A115-A144 WeakPolarHBondContact O-CB 3.49Å; T116-A144 PolarHBondContact O-N 2.98Å; Y118-A144 HydrophobicContact CD1-CB 3.69Å; Y118-A144 HydrophobicContact CE1-CB 3.91Å
145	N	95.9	Very high	93.2	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.323	C	S	.	.			trans	-97	146.3	-165.3	-61.8	90.3	0	0	0	112.2	T102 Q103 Y114 A115 D147 T150 V152	T102-N145 VanDerWaalsContact C-OD1 3.24Å; T102-N145 VanDerWaalsContact CB-OD1 3.3Å; T102-N145 WeakPolarHBondContact CB-OD1 3.46Å; T102-N145 PolarHBondContact O-ND2 3.19Å; T102-N145 PolarHBondContact O-OD1 3.47Å; T102-N145 PolarHBondContact OG1-OD1 3.32Å; Q103-N145 WeakPolarHBondContact CA-ND2 3.47Å; Q103-N145 PolarHBondContact N-OD1 3.13Å; Y114-N145 HydrophobicContact CD2-CB 4.1Å; Y114-N145 WeakPolarHBondContact CD2-O 3.36Å; Y114-N145 VanDerWaalsContact CE2-O 3.22Å; Y114-N145 WeakPolarHBondContact CE2-O 3.49Å; A115-N145 PolarHBondContact O-N 3.35Å; N145-D147 WeakPolarHBondContact CB-O 3.34Å; N145-T150 PolarHBondContact ND2-O 2.85Å; N145-V152 WeakPolarHBondContact ND2-CG2 3.29Å
146	N	93.7	Very high	93.3	Very high	139 Å²	139	60.9 Å²	60.9	74%	0.743	32%	0.321	S	S	*	.	S	Bend	trans	-101.4	-12.4	169.6	-68.6	-24.2	0	0	0	112.6	Y114	Y114-N146 VanDerWaalsContact CE2-C 3.4Å; Y114-N146 WeakPolarHBondContact CE2-O 3.42Å; Y114-N146 PolarHBondContact OH-O 2.89Å; Y114-N146 VanDerWaalsContact OH-O 3.05Å
147	D	91.8	Very high	93.5	Very high	54 Å²	54	59.9 Å²	59.9	29%	0.289	32%	0.321	S	S	.	.	S	Bend	trans	-143.6	-178.9	-179.6	73.8	74.9	0	0	0	111.4	Y114 N145 S149 T150	Y114-D147 WeakPolarHBondContact CB-O 3.46Å; N145-D147 WeakPolarHBondContact CB-O 3.34Å; D147-S149 WeakPolarHBondContact OD1-CA 3.27Å; D147-S149 PolarHBondContact OD1-N 2.98Å; D147-S149 PolarHBondContact OD1-OG 3.49Å; D147-T150 PolarHBondContact OD1-N 3.18Å; D147-T150 PolarHBondContact OD1-OG1 3.03Å; D147-T150 VanDerWaalsContact OD2-CB 3.24Å; D147-T150 WeakPolarHBondContact OD2-CB 3.11Å; D147-T150 PolarHBondContact OD2-OG1 3.24Å
148	T	90	Very high	93.7	Very high	16 Å²	16	55.6 Å²	55.6	10%	0.098	30%	0.299	C	S	.	.	S	Bend	trans	-92	-13.5	-176	51.5	0	0	0	0	115.9	G104 R105 Q112 Y114 R180	G104-T148 CarbonylContact C-O 3.53Å; G104-T148 VanDerWaalsContact C-O 3.26Å; G104-T148 PolarHBondContact N-O 3.45Å; R105-T148 VanDerWaalsContact O-CB 3.27Å; R105-T148 WeakPolarHBondContact O-CB 3.42Å; R105-T148 VanDerWaalsContact O-CG2 3.31Å; R105-T148 WeakPolarHBondContact O-CG2 3.43Å; Q112-T148 VanDerWaalsContact C-CG2 3.5Å; Y114-T148 HydrophobicContact CD1-CG2 3.81Å; T148-R180 PolarHBondContact O-NH2 3.25Å
149	S	87.1	Confident	94	Very high	54 Å²	54	51.4 Å²	51.4	38%	0.378	28%	0.28	S	S	.	.	S	Bend	trans	-115.3	-31.5	-163.4	67.5	0	0	0	0	114.7	Q103 D147 P151	Q103-S149 PolarHBondContact NE2-O 3.19Å; D147-S149 WeakPolarHBondContact OD1-CA 3.27Å; D147-S149 PolarHBondContact OD1-N 2.98Å; D147-S149 PolarHBondContact OD1-OG 3.49Å; S149-P151 WeakPolarHBondContact O-CD 3.47Å
150	T	91.7	Very high	94.1	Very high	66 Å²	66	48.1 Å²	48.1	41%	0.405	26%	0.262	S	S	.	.			trans	-83	121	-175.9	-51.2	0	0	0	0	110.6	N145 D147 V152	N145-T150 PolarHBondContact ND2-O 2.85Å; D147-T150 PolarHBondContact OD1-N 3.18Å; D147-T150 PolarHBondContact OD1-OG1 3.03Å; D147-T150 VanDerWaalsContact OD2-CB 3.24Å; D147-T150 WeakPolarHBondContact OD2-CB 3.11Å; D147-T150 PolarHBondContact OD2-OG1 3.24Å; T150-V152 PolarHBondContact O-N 3.47Å
151	P	94.3	Very high	94.1	Very high	51 Å²	51	45.5 Å²	45.5	33%	0.331	25%	0.25	S	S	.	.			trans	-67.1	128.4	167.9	-16.6	31.6	0	0	0	110.2	K65 T102 S149	K65-P151 HydrophobicContact CG-CG 4.34Å; T102-P151 WeakPolarHBondContact O-CA 3.42Å; S149-P151 WeakPolarHBondContact O-CD 3.47Å
152	V	97.2	Very high	94.1	Very high	46 Å²	46	42.7 Å²	42.7	28%	0.279	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.9	178.1	175.5	0	0	0	0	109.2	E101 T102 N145 T150	E101-V152 CarbonylContact C-O 3.59Å; E101-V152 WeakPolarHBondContact CA-O 3.39Å; T102-V152 PolarHBondContact N-O 2.89Å; T102-V152 PolarHBondContact O-N 2.82Å; N145-V152 WeakPolarHBondContact ND2-CG2 3.29Å; T150-V152 PolarHBondContact O-N 3.47Å
153	T	96.4	Very high	94	Very high	74 Å²	74	43 Å²	43	45%	0.454	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.7	179.6	-47.3	0	0	0	0	110.8	E101	E101-T153 HydrophobicContact CG-CG2 4Å; E101-T153 WeakPolarHBondContact OE1-CG2 3.25Å; E101-T153 PolarHBondContact OE1-OG1 3.04Å
154	R	95.6	Very high	94.1	Very high	71 Å²	71	42.1 Å²	42.1	27%	0.268	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.8	171.3	-175.1	67.6	-176.3	176.6	0.4	109.6	S99 I100 Y118 D135 L142 M156	S99-R154 CarbonylContact C-O 3.58Å; S99-R154 WeakPolarHBondContact CA-O 3.48Å; S99-R154 VanDerWaalsContact CB-O 3.23Å; S99-R154 WeakPolarHBondContact CB-O 3.48Å; I100-R154 PolarHBondContact N-O 3.16Å; I100-R154 PolarHBondContact O-N 3.16Å; Y118-R154 WeakPolarHBondContact OH-CB 3.46Å; D135-R154 IonicContact OD2-NH2 3.95Å; L142-R154 HydrophobicContact CD1-CG 4.39Å; R154-M156 HydrophobicContact CB-CE 4.19Å; R154-M156 HydrophobicContact CG-CE 3.8Å; R154-M156 WeakPolarHBondContact O-CE 3.26Å
155	K	95	Very high	94.2	Very high	155 Å²	155	41.7 Å²	41.7	67%	0.674	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.3	168.5	-167	178.5	178.5	-179.3	0	110.2
156	M	94.6	Very high	94.4	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	135.7	172.6	-57.9	-59.9	101.6	0	0	109.1	T98 I100 I120 Y133 L142 R154 F160	T98-M156 PolarHBondContact O-N 3.01Å; I100-M156 HydrophobicContact CB-CE 4.48Å; I100-M156 HydrophobicContact CG1-CE 4.22Å; I120-M156 HydrophobicContact CD1-CE 4.04Å; I120-M156 HydrophobicContact CD1-SD 3.68Å; Y133-M156 HydrophobicContact CD1-SD 4.42Å; Y133-M156 HydrophobicContact CD2-SD 4.38Å; Y133-M156 HydrophobicContact CE1-SD 4.04Å; Y133-M156 HydrophobicContact CE2-CB 4.27Å; Y133-M156 HydrophobicContact CE2-SD 3.98Å; L142-M156 HydrophobicContact CD1-CE 4.44Å; R154-M156 HydrophobicContact CB-CE 4.19Å; R154-M156 HydrophobicContact CG-CE 3.8Å; R154-M156 WeakPolarHBondContact O-CE 3.26Å; M156-F160 HydrophobicContact CG-CD1 4.43Å; M156-F160 HydrophobicContact CG-CE1 3.97Å; M156-F160 HydrophobicContact SD-CE1 3.86Å
157	D	91.5	Very high	94.6	Very high	48 Å²	48	36.8 Å²	36.8	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-38.6	177.9	-68.8	-32.2	0	0	0	110.9	Y133 D135 R136 Y245	Y133-D157 PolarHBondContact OH-N 2.97Å; D135-D157 WeakPolarHBondContact CB-OD2 3.46Å; R136-D157 HydrophobicContact CB-CB 4.03Å; R136-D157 WeakPolarHBondContact CG-OD2 3.44Å; R136-D157 PolarHBondContact N-OD2 2.93Å; D157-Y245 HydrophobicContact CB-CE1 4.34Å
158	S	92.1	Very high	94.9	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.7	168.2	179.6	0	0	0	0	108.6	Y133 S212 D232	Y133-S158 WeakPolarHBondContact CE2-O 3.4Å; S158-S212 VanDerWaalsContact OG-CB 3.25Å; S158-S212 WeakPolarHBondContact OG-CB 3.18Å; S158-S212 PolarHBondContact OG-OG 2.95Å; S158-D232 WeakPolarHBondContact CB-OD2 3.46Å; S158-D232 PolarHBondContact OG-OD2 3.49Å
159	P	94.5	Very high	95.3	Very high	13 Å²	13	34 Å²	34	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	133	175.8	-27.8	38	0	0	0	112.8	L96 I97 T98 D232 V234	L96-P159 HydrophobicContact CD1-CB 3.83Å; L96-P159 HydrophobicContact CG-CB 4.19Å; I97-P159 VanDerWaalsContact O-CA 3.23Å; I97-P159 WeakPolarHBondContact O-CA 3.47Å; I97-P159 WeakPolarHBondContact O-CB 3.39Å; T98-P159 HydrophobicContact CG2-CB 4.02Å; T98-P159 HydrophobicContact CG2-CG 4.17Å; P159-D232 WeakPolarHBondContact O-CB 3.07Å; P159-V234 HydrophobicContact CG-CG2 4.28Å
160	F	95.2	Very high	95.7	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.044	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153	-173.8	61.7	-90.4	0	0	0	112.9	I97 I120 Y122 Y133 M156 A162 I165	I97-F160 HydrophobicContact CB-CD1 4.47Å; I97-F160 HydrophobicContact CB-CD2 4.3Å; I97-F160 HydrophobicContact CB-CE1 4.1Å; I97-F160 HydrophobicContact CB-CE2 3.9Å; I97-F160 HydrophobicContact CB-CZ 3.8Å; I97-F160 HydrophobicContact CG1-CD2 4.22Å; I97-F160 HydrophobicContact CG1-CE2 3.77Å; I97-F160 HydrophobicContact CG1-CZ 4.12Å; I97-F160 HydrophobicContact CG2-CE1 4.11Å; I97-F160 HydrophobicContact CG2-CE2 4.32Å; I97-F160 HydrophobicContact CG2-CZ 3.77Å; I97-F160 PolarHBondContact N-O 2.9Å; I97-F160 PolarHBondContact O-N 3.35Å; I120-F160 HydrophobicContact CG2-CZ 4.01Å; Y122-F160 AromaticContact CD1-CD2 3.66Å; Y122-F160 HydrophobicContact CD1-CD2 3.66Å; Y122-F160 AromaticContact CD1-CE2 3.77Å; Y122-F160 HydrophobicContact CD1-CE2 3.77Å; Y122-F160 HydrophobicContact CD1-CG 4.2Å; Y122-F160 HydrophobicContact CD1-CZ 4.37Å; Y122-F160 AromaticContact CD2-CD2 3.68Å; Y122-F160 HydrophobicContact CD2-CD2 3.68Å; Y122-F160 HydrophobicContact CD2-CE2 4.22Å; Y122-F160 HydrophobicContact CE1-CB 4.31Å; Y122-F160 AromaticContact CE1-CD2 3.92Å; Y122-F160 HydrophobicContact CE1-CD2 3.92Å; Y122-F160 HydrophobicContact CE1-CE2 4.43Å; Y122-F160 HydrophobicContact CE1-CG 4.04Å; Y122-F160 HydrophobicContact CE2-CB 4.23Å; Y122-F160 AromaticContact CE2-CD2 3.94Å; Y122-F160 HydrophobicContact CE2-CD2 3.94Å; Y122-F160 HydrophobicContact CE2-CG 4.39Å; Y122-F160 AromaticContact CG-CD2 3.52Å; Y122-F160 HydrophobicContact CG-CD2 3.52Å; Y122-F160 AromaticContact CG-CE2 3.63Å; Y122-F160 HydrophobicContact CG-CE2 3.63Å; Y122-F160 HydrophobicContact CG-CG 4.44Å; Y133-F160 AromaticContact CD2-CD1 3.52Å; Y133-F160 HydrophobicContact CD2-CD1 3.52Å; Y133-F160 AromaticContact CD2-CE1 3.68Å; Y133-F160 HydrophobicContact CD2-CE1 3.68Å; Y133-F160 HydrophobicContact CD2-CG 4.49Å; Y133-F160 AromaticContact CE2-CD1 3.87Å; Y133-F160 HydrophobicContact CE2-CD1 3.87Å; Y133-F160 HydrophobicContact CE2-CE1 4.15Å; Y133-F160 HydrophobicContact CG-CE1 4.34Å; M156-F160 HydrophobicContact CG-CD1 4.43Å; M156-F160 HydrophobicContact CG-CE1 3.97Å; M156-F160 HydrophobicContact SD-CE1 3.86Å; F160-A162 HydrophobicContact CD2-CB 4.07Å; F160-A162 HydrophobicContact CE2-CB 3.95Å; F160-I165 HydrophobicContact CE2-CD1 4.25Å
161	V	94.6	Very high	95.8	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.5	-179.7	-177.9	0	0	0	0	110.4	R94 R95 L96 F188 L227	R94-V161 HydrophobicContact CB-CG1 4Å; R94-V161 HydrophobicContact CG-CG1 4.49Å; R95-V161 WeakPolarHBondContact O-CA 3.44Å; L96-V161 HydrophobicContact CD1-CG2 4.03Å; V161-F188 HydrophobicContact CB-CD1 4.49Å; V161-F188 HydrophobicContact CB-CG 4.47Å; V161-F188 HydrophobicContact CG1-CB 4.06Å; V161-F188 HydrophobicContact CG1-CD1 3.58Å; V161-F188 HydrophobicContact CG1-CD2 4.34Å; V161-F188 HydrophobicContact CG1-CE1 4.03Å; V161-F188 HydrophobicContact CG1-CG 3.73Å; V161-F188 HydrophobicContact CG2-CD1 4.06Å; V161-F188 HydrophobicContact CG2-CD2 3.55Å; V161-F188 HydrophobicContact CG2-CE1 3.99Å; V161-F188 HydrophobicContact CG2-CE2 3.47Å; V161-F188 VanDerWaalsContact CG2-CE2 3.47Å; V161-F188 HydrophobicContact CG2-CG 3.83Å; V161-F188 HydrophobicContact CG2-CZ 3.69Å; V161-L227 HydrophobicContact CB-CD1 4.3Å; V161-L227 HydrophobicContact CG2-CD1 4.11Å
162	A	96.3	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.7	-179.2	0	0	0	0	0	111.9	R94 R95 I97 Y122 F160 I165	R94-A162 WeakPolarHBondContact CA-O 3.28Å; R95-A162 PolarHBondContact N-O 2.78Å; R95-A162 PolarHBondContact O-N 3.23Å; I97-A162 HydrophobicContact CG1-CB 4.17Å; Y122-A162 HydrophobicContact CD2-CB 4.29Å; Y122-A162 HydrophobicContact CG-CB 4.49Å; F160-A162 HydrophobicContact CD2-CB 4.07Å; F160-A162 HydrophobicContact CE2-CB 3.95Å; A162-I165 HydrophobicContact CB-CD1 4.1Å; A162-I165 HydrophobicContact CB-CG1 3.74Å
163	S	95.1	Very high	95.4	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-19.8	162.1	62.5	0	0	0	0	112.4	L91 T93 W123	L91-S163 WeakPolarHBondContact CB-O 3.25Å; L91-S163 PolarHBondContact N-O 2.87Å; T93-S163 WeakPolarHBondContact O-CA 3.23Å; W123-S163 WeakPolarHBondContact CZ3-OG 3.3Å; W123-S163 PolarHBondContact O-N 3.05Å; W123-S163 PolarHBondContact O-OG 3.09Å; W123-S163 VanDerWaalsContact O-OG 3.09Å
164	K	97.8	Very high	95.2	Very high	59 Å²	59	39.9 Å²	39.9	26%	0.257	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.2	172.6	-51.6	-171.4	-170.6	-141.9	0	109.2	I89 D90 Y122 W123 W130	I89-K164 WeakPolarHBondContact O-CA 3.19Å; D90-K164 IonicContact OD1-NZ 2.66Å; D90-K164 WeakPolarHBondContact OD2-CE 3.37Å; D90-K164 IonicContact OD2-NZ 3.43Å; D90-K164 PolarHBondContact OD2-NZ 3.39Å; Y122-K164 CarbonylContact C-O 3.52Å; Y122-K164 WeakPolarHBondContact CA-O 3.39Å; W123-K164 HydrophobicContact CE3-CB 4.47Å; W123-K164 HydrophobicContact CE3-CD 4.02Å; W123-K164 HydrophobicContact CE3-CG 3.99Å; W123-K164 HydrophobicContact CZ3-CD 4.34Å; W123-K164 HydrophobicContact CZ3-CG 4.49Å; W123-K164 PolarHBondContact N-O 3.09Å; W123-K164 PolarHBondContact O-N 3.17Å; W123-K164 VanDerWaalsContact O-N 3.08Å; W130-K164 HydrophobicContact CH2-CB 3.66Å; W130-K164 HydrophobicContact CZ2-CB 4.33Å; W130-K164 HydrophobicContact CZ3-CB 4.33Å
165	I	98.5	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.8	-179.8	-56.5	-179.3	0	0	0	108.9	Q88 I89 L91 I97 I120 E121 F160 A162 I167 L183	Q88-I165 CarbonylContact C-O 3.6Å; Q88-I165 VanDerWaalsContact CA-O 3.26Å; Q88-I165 WeakPolarHBondContact CA-O 3.45Å; I89-I165 PolarHBondContact N-O 2.79Å; I89-I165 PolarHBondContact O-N 2.79Å; L91-I165 HydrophobicContact CD1-CD1 4.14Å; L91-I165 HydrophobicContact CD1-CG1 4.39Å; I97-I165 HydrophobicContact CD1-CD1 3.65Å; I97-I165 HydrophobicContact CG1-CD1 3.62Å; I97-I165 HydrophobicContact CG2-CD1 4.33Å; I120-I165 HydrophobicContact CG2-CG2 3.77Å; E121-I165 CarbonylContact O-C 3.44Å; E121-I165 WeakPolarHBondContact O-CA 3.46Å; F160-I165 HydrophobicContact CE2-CD1 4.25Å; A162-I165 HydrophobicContact CB-CD1 4.1Å; A162-I165 HydrophobicContact CB-CG1 3.74Å; I165-I167 HydrophobicContact CG2-CD1 3.98Å; I165-L183 HydrophobicContact CD1-CD1 3.84Å; I165-L183 HydrophobicContact CD1-CD2 4.04Å
166	R	98.6	Very high	95.1	Very high	37 Å²	37	35.1 Å²	35.1	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.3	166.3	-77	171.9	-178	155.9	4	110.5	W86 L87 Q88 I120 E121 W130 V168	W86-R166 HydrophobicContact CB-CB 4.27Å; W86-R166 HydrophobicContact CB-CG 4.26Å; W86-R166 HydrophobicContact CD2-CG 4.34Å; W86-R166 HydrophobicContact CE3-CG 4.29Å; W86-R166 HydrophobicContact CG-CG 4.36Å; L87-R166 CarbonylContact O-C 3.59Å; L87-R166 WeakPolarHBondContact O-CA 3.5Å; Q88-R166 HydrophobicContact CB-CG 3.81Å; Q88-R166 HydrophobicContact CG-CG 3.92Å; I120-R166 WeakPolarHBondContact CA-O 3.45Å; E121-R166 HydrophobicContact CB-CB 4.2Å; E121-R166 PolarHBondContact N-O 3.19Å; E121-R166 PolarHBondContact O-N 2.9Å; E121-R166 IonicContact OE2-NH1 2.73Å; W130-R166 VanDerWaalsContact CE2-NH1 3.33Å; W130-R166 HydrophobicContact CE3-CG 4.33Å; W130-R166 HydrophobicContact CH2-CG 3.8Å; W130-R166 HydrophobicContact CZ2-CG 4.47Å; W130-R166 VanDerWaalsContact CZ2-CZ 3.45Å; W130-R166 HydrophobicContact CZ3-CB 4.17Å; W130-R166 HydrophobicContact CZ3-CG 3.73Å; R166-V168 HydrophobicContact CB-CG2 4.35Å
167	I	98.4	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.6	167.1	-50.8	-54.7	0	0	0	106.9	W86 L87 I100 Y118 I120 I165 P169 M179 V181	W86-I167 WeakPolarHBondContact CA-O 3.41Å; L87-I167 PolarHBondContact N-O 2.8Å; L87-I167 PolarHBondContact O-N 3Å; I100-I167 HydrophobicContact CD1-CD1 3.84Å; I100-I167 HydrophobicContact CG2-CD1 4.33Å; Y118-I167 HydrophobicContact CD2-CG2 3.82Å; Y118-I167 HydrophobicContact CG-CG2 4.19Å; I120-I167 HydrophobicContact CG1-CD1 4.49Å; I165-I167 HydrophobicContact CG2-CD1 3.98Å; I167-P169 WeakPolarHBondContact O-CD 3.31Å; I167-M179 HydrophobicContact CG2-CE 3.51Å; I167-M179 HydrophobicContact CG2-SD 3.89Å; I167-V181 HydrophobicContact CG1-CG1 4.19Å; I167-V181 HydrophobicContact CG1-CG2 4.33Å; I167-V181 HydrophobicContact CG2-CG2 4.49Å
168	V	98.2	Very high	95.3	Very high	10 Å²	10	32.8 Å²	32.8	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	97.1	-175.2	179	0	0	0	0	107.4	R84 E85 W86 Y118 S119 E121 R166	R84-V168 HydrophobicContact CG-CG1 4.08Å; E85-V168 WeakPolarHBondContact O-CG1 3.33Å; W86-V168 HydrophobicContact CB-CG2 4.16Å; Y118-V168 CarbonylContact C-O 3.59Å; Y118-V168 WeakPolarHBondContact CA-O 3.26Å; Y118-V168 WeakPolarHBondContact CB-O 3.21Å; S119-V168 PolarHBondContact N-O 2.82Å; S119-V168 PolarHBondContact O-N 2.94Å; S119-V168 WeakPolarHBondContact OG-CB 3.48Å; E121-V168 HydrophobicContact CG-CG2 4.15Å; R166-V168 HydrophobicContact CB-CG2 4.35Å
169	P	97.8	Very high	95.5	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.013	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	145.5	179.3	22.5	-33.3	0	0	0	111.8	W73 I79 A115 I167 V177 M179	W73-P169 HydrophobicContact CH2-CG 3.95Å; W73-P169 HydrophobicContact CZ3-CG 4.05Å; I79-P169 HydrophobicContact CD1-CG 4.26Å; I79-P169 HydrophobicContact CG1-CB 4.38Å; I79-P169 HydrophobicContact CG1-CG 4.25Å; A115-P169 HydrophobicContact CB-CB 4.28Å; I167-P169 WeakPolarHBondContact O-CD 3.31Å; P169-V177 HydrophobicContact CB-CG2 3.9Å; P169-V177 HydrophobicContact CG-CG2 4.24Å; P169-M179 HydrophobicContact CB-SD 3.79Å; P169-M179 HydrophobicContact CG-SD 4.31Å
170	W	96.7	Very high	95.5	Very high	65 Å²	65	32 Å²	32	25%	0.246	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.7	-178.7	-173.2	96	0	0	0	111.4	A117 I141 D172	A117-W170 HydrophobicContact CB-CE3 3.92Å; A117-W170 PolarHBondContact N-O 3.21Å; A117-W170 PolarHBondContact O-N 3.49Å; A117-W170 VanDerWaalsContact O-O 3.08Å; I141-W170 HydrophobicContact CD1-CB 4.34Å; I141-W170 HydrophobicContact CD1-CD2 4.27Å; I141-W170 HydrophobicContact CD1-CG 3.87Å; I141-W170 HydrophobicContact CG1-CD2 4.38Å; I141-W170 HydrophobicContact CG1-CG 4.48Å; I141-W170 HydrophobicContact CG2-CB 4.49Å; I141-W170 HydrophobicContact CG2-CD2 3.85Å; I141-W170 HydrophobicContact CG2-CE3 3.76Å; I141-W170 HydrophobicContact CG2-CG 4.22Å; I141-W170 HydrophobicContact CG2-CZ3 4.15Å; W170-D172 HydrophobicContact CH2-CB 4.39Å; W170-D172 WeakPolarHBondContact CH2-OD1 3.08Å; W170-D172 WeakPolarHBondContact CH2-OD2 3.36Å; W170-D172 HydrophobicContact CZ3-CB 4.48Å; W170-D172 VanDerWaalsContact CZ3-OD2 3.23Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.27Å
171	S	93.7	Very high	95.6	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	16%	0.156	C	C	.	.			trans	-157.2	137	176.2	179.9	0	0	0	0	110.1	S80 P81 H173 R175	S80-S171 CarbonylContact C-O 3.53Å; P81-S171 WeakPolarHBondContact CD-O 3.17Å; P81-S171 WeakPolarHBondContact CG-O 3.26Å; S171-H173 WeakPolarHBondContact CB-O 3.35Å; S171-H173 PolarHBondContact O-N 3.33Å; S171-H173 PolarHBondContact OG-N 3.3Å; S171-H173 PolarHBondContact OG-O 2.82Å; S171-R175 WeakPolarHBondContact OG-CD 3.47Å
172	D	91.9	Very high	95.8	Very high	103 Å²	103	31.3 Å²	31.3	55%	0.551	15%	0.154	S	C	*	.	S	Bend	trans	-59.3	-27.9	173	-76.5	-70.2	0	0	0	113.4	P81 W170	P81-D172 WeakPolarHBondContact CG-O 3.29Å; W170-D172 HydrophobicContact CH2-CB 4.39Å; W170-D172 WeakPolarHBondContact CH2-OD1 3.08Å; W170-D172 WeakPolarHBondContact CH2-OD2 3.36Å; W170-D172 HydrophobicContact CZ3-CB 4.48Å; W170-D172 VanDerWaalsContact CZ3-OD2 3.23Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.27Å
173	H	91.2	Very high	95.8	Very high	145 Å²	145	31.3 Å²	31.3	67%	0.671	15%	0.154	S	C	*	.	S	Bend	trans	-126.8	145.8	-174.6	-57.4	-24.8	0	0	0	110.6	S171 R175	S171-H173 WeakPolarHBondContact CB-O 3.35Å; S171-H173 PolarHBondContact O-N 3.33Å; S171-H173 PolarHBondContact OG-N 3.3Å; S171-H173 PolarHBondContact OG-O 2.82Å; H173-R175 PolarHBondContact O-N 2.81Å
174	T	93	Very high	95.9	Very high	95 Å²	95	33.5 Å²	33.5	58%	0.583	16%	0.162	S	C	*	.			trans	-60	109.9	179.4	-52.5	0	0	0	0	110.7	Q78 I79	Q78-T174 HydrophobicContact CB-CG2 3.83Å; I79-T174 CarbonylContact O-C 3.59Å; I79-T174 VanDerWaalsContact O-CA 3.25Å; I79-T174 WeakPolarHBondContact O-CA 3.34Å
175	R	93.7	Very high	95.5	Very high	65 Å²	65	30.7 Å²	30.7	25%	0.245	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-143.1	156.2	177.3	67.9	-177.7	-66.9	172.5	0.8	112.5	Q78 I79 Y114 T116 S171 H173 V177	Q78-R175 CarbonylContact C-O 3.37Å; Q78-R175 WeakPolarHBondContact CA-O 3.37Å; I79-R175 PolarHBondContact N-O 2.78Å; I79-R175 PolarHBondContact O-N 2.74Å; Y114-R175 VanDerWaalsContact CE1-NH2 3.26Å; T116-R175 VanDerWaalsContact CG2-NH1 3.32Å; S171-R175 WeakPolarHBondContact OG-CD 3.47Å; H173-R175 PolarHBondContact O-N 2.81Å; R175-V177 HydrophobicContact CG-CG1 3.81Å
176	T	93.5	Very high	95	Very high	61 Å²	61	32.3 Å²	32.3	37%	0.374	16%	0.161	S	C	.	.			trans	-70.9	132.1	161.8	-49.3	0	0	0	0	108.1	Q78 E113	Q78-T176 PolarHBondContact NE2-OG1 3.25Å; E113-T176 HydrophobicContact CG-CG2 3.98Å
177	V	95	Very high	94.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.164	C	C	.	.			trans	-122.9	155.1	172.8	-53.2	0	0	0	0	108.5	P75 I79 A115 P169 R175	P75-V177 HydrophobicContact CG-CG2 3.97Å; I79-V177 HydrophobicContact CB-CG1 4.16Å; I79-V177 HydrophobicContact CB-CG2 4.33Å; I79-V177 HydrophobicContact CG1-CB 4.49Å; I79-V177 HydrophobicContact CG1-CG1 4.22Å; I79-V177 HydrophobicContact CG1-CG2 3.48Å; I79-V177 VanDerWaalsContact CG1-CG2 3.48Å; A115-V177 HydrophobicContact CB-CB 4.42Å; P169-V177 HydrophobicContact CB-CG2 3.9Å; P169-V177 HydrophobicContact CG-CG2 4.24Å; R175-V177 HydrophobicContact CG-CG1 3.81Å
178	C	95.4	Very high	93.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	17%	0.168	C	C	.	.			trans	-138.9	153.4	165.8	-61.7	0	0	0	0	108.2	A72 W73 C74 R105 E113 Y114 A115	A72-C178 HydrophobicContact CB-CB 3.71Å; W73-C178 CarbonylContact O-C 3.49Å; W73-C178 WeakPolarHBondContact O-CA 3.47Å; W73-C178 WeakPolarHBondContact O-CB 3.46Å; C74-C178 HydrophobicContact CB-CB 4.1Å; C74-C178 WeakPolarHBondContact CB-SG 3.41Å; C74-C178 WeakPolarHBondContact SG-CB 3.3Å; C74-C178 CovalentContact SG-SG 2.03Å; C74-C178 PolarHBondContact SG-SG 3.33Å; R105-C178 HydrophobicContact CB-CB 3.66Å; E113-C178 HydrophobicContact CB-CB 4.01Å; E113-C178 VanDerWaalsContact CB-SG 3.55Å; Y114-C178 WeakPolarHBondContact CA-O 3.34Å; A115-C178 PolarHBondContact N-O 3.13Å
179	M	95.5	Very high	92.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-136.9	140.3	-179.9	-57.4	-172.2	75.4	0	0	111.7	W73 T102 Q103 A115 I167 P169 V181	W73-M179 HydrophobicContact CE3-CB 4.21Å; W73-M179 HydrophobicContact CZ3-SD 4.34Å; W73-M179 PolarHBondContact N-O 2.88Å; W73-M179 PolarHBondContact O-N 2.61Å; T102-M179 HydrophobicContact CG2-CE 3.83Å; Q103-M179 CarbonylContact O-C 3.57Å; A115-M179 HydrophobicContact CB-CE 3.99Å; A115-M179 HydrophobicContact CB-CG 3.74Å; A115-M179 HydrophobicContact CB-SD 3.81Å; I167-M179 HydrophobicContact CG2-CE 3.51Å; I167-M179 HydrophobicContact CG2-SD 3.89Å; P169-M179 HydrophobicContact CB-SD 3.79Å; P169-M179 HydrophobicContact CG-SD 4.31Å; M179-V181 HydrophobicContact CB-CG2 4.4Å; M179-V181 HydrophobicContact CE-CG2 4.46Å
180	R	96	Very high	91.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.3	154.1	-64.4	176.4	-79.5	-173	-3.4	108	A62 R63 T66 E67 G71 A72 T102 Q103 G104 T148	A62-R180 CarbonylContact O-C 3.53Å; A62-R180 VanDerWaalsContact O-CA 3.29Å; A62-R180 WeakPolarHBondContact O-CA 3.43Å; R63-R180 WeakPolarHBondContact O-CD 3.4Å; T66-R180 VanDerWaalsContact O-CD 3.22Å; T66-R180 WeakPolarHBondContact O-CD 3.49Å; T66-R180 PolarHBondContact O-NH1 3.11Å; E67-R180 IonicContact OE1-CZ 2.89Å; E67-R180 IonicContact OE1-NH1 3.67Å; E67-R180 PolarHBondContact OE1-NH1 3.39Å; E67-R180 IonicContact OE1-NH2 3.18Å; E67-R180 PolarHBondContact OE1-NH2 3.13Å; G71-R180 VanDerWaalsContact O-CD 3.23Å; G71-R180 WeakPolarHBondContact O-CD 3.38Å; G71-R180 PolarHBondContact O-NE 3.28Å; A72-R180 HydrophobicContact CB-CG 4.05Å; T102-R180 CarbonylContact C-O 3.59Å; T102-R180 WeakPolarHBondContact CA-O 3.27Å; Q103-R180 HydrophobicContact CB-CB 4.24Å; Q103-R180 PolarHBondContact N-O 2.9Å; Q103-R180 PolarHBondContact O-N 3.4Å; G104-R180 PolarHBondContact O-NE 3.19Å; G104-R180 PolarHBondContact O-NH2 3.39Å; T148-R180 PolarHBondContact O-NH2 3.25Å
181	V	97.7	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.5	-170.1	-178.9	0	0	0	0	110.4	M36 A62 I64 L87 I89 I100 E101 I167 M179 L183	M36-V181 WeakPolarHBondContact CB-O 3.42Å; M36-V181 HydrophobicContact CE-CB 4.5Å; M36-V181 WeakPolarHBondContact CG-O 3.31Å; A62-V181 PolarHBondContact O-N 2.9Å; I64-V181 PolarHBondContact N-O 3.43Å; I64-V181 VanDerWaalsContact N-O 3.16Å; L87-V181 HydrophobicContact CD2-CB 4.41Å; L87-V181 HydrophobicContact CD2-CG2 3.92Å; I89-V181 HydrophobicContact CD1-CG1 4.17Å; I100-V181 HydrophobicContact CG2-CG1 4.01Å; E101-V181 CarbonylContact O-C 2.95Å; E101-V181 VanDerWaalsContact O-CA 3.25Å; E101-V181 WeakPolarHBondContact O-CA 3.37Å; I167-V181 HydrophobicContact CG1-CG1 4.19Å; I167-V181 HydrophobicContact CG1-CG2 4.33Å; I167-V181 HydrophobicContact CG2-CG2 4.49Å; M179-V181 HydrophobicContact CB-CG2 4.4Å; M179-V181 HydrophobicContact CE-CG2 4.46Å; V181-L183 HydrophobicContact CG1-CD2 4.41Å
182	E	97.2	Very high	91.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.7	156.7	-179.4	60.5	-86	0	0	109.6	A33 G35 M36 E37 I64 I100 E101	A33-E182 HydrophobicContact CB-CG 3.91Å; G35-E182 PolarHBondContact N-OE1 2.7Å; M36-E182 HydrophobicContact CB-CB 4.36Å; M36-E182 WeakPolarHBondContact CB-OE1 3.48Å; M36-E182 WeakPolarHBondContact CG-OE1 3.39Å; M36-E182 PolarHBondContact N-OE1 3Å; M36-E182 PolarHBondContact N-OE2 3.11Å; E37-E182 PolarHBondContact N-OE2 3.32Å; I64-E182 HydrophobicContact CB-CB 3.92Å; I64-E182 HydrophobicContact CG1-CB 4.45Å; I64-E182 HydrophobicContact CG2-CB 3.69Å; I64-E182 HydrophobicContact CG2-CG 4.42Å; I100-E182 WeakPolarHBondContact CA-O 3.4Å; E101-E182 HydrophobicContact CB-CB 4.21Å; E101-E182 HydrophobicContact CG-CB 4.41Å; E101-E182 PolarHBondContact N-O 3.43Å; E101-E182 PolarHBondContact O-N 2.95Å
183	L	97.5	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.9	172.9	-61.1	173.5	0	0	0	108.3	L34 I89 L91 I100 I165 V181	L34-L183 HydrophobicContact CB-CB 4.22Å; L34-L183 WeakPolarHBondContact CB-O 3.49Å; L34-L183 HydrophobicContact CD1-CB 4.01Å; L34-L183 HydrophobicContact CG-CB 4.41Å; L34-L183 WeakPolarHBondContact CG-O 3.42Å; L34-L183 PolarHBondContact N-O 3.06Å; I89-L183 HydrophobicContact CB-CD1 4.14Å; I89-L183 HydrophobicContact CD1-CD1 3.69Å; I89-L183 HydrophobicContact CD1-CD2 4.32Å; I89-L183 HydrophobicContact CD1-CG 3.93Å; I89-L183 HydrophobicContact CG2-CD1 3.82Å; L91-L183 HydrophobicContact CD2-CD1 3.88Å; I100-L183 HydrophobicContact CD1-CD2 3.89Å; I100-L183 HydrophobicContact CG1-CD2 3.85Å; I100-L183 HydrophobicContact CG2-CD2 4.27Å; I165-L183 HydrophobicContact CD1-CD1 3.84Å; I165-L183 HydrophobicContact CD1-CD2 4.04Å; V181-L183 HydrophobicContact CG1-CD2 4.41Å
184	R	96.1	Very high	91.6	Very high	52 Å²	52	29.1 Å²	29.1	20%	0.196	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.2	176.7	-74.8	-177.7	-176.8	-78.5	-9.2	111.9	N31 L32 T98 S99 E101	N31-R184 WeakPolarHBondContact O-CD 3.43Å; N31-R184 PolarHBondContact O-NH1 3.27Å; L32-R184 CarbonylContact O-C 3.37Å; L32-R184 WeakPolarHBondContact O-CA 3.4Å; T98-R184 PolarHBondContact N-O 2.91Å; T98-R184 PolarHBondContact OG1-O 2.97Å; S99-R184 PolarHBondContact N-O 3.29Å; S99-R184 PolarHBondContact O-N 3.21Å; S99-R184 WeakPolarHBondContact OG-CB 3.32Å; S99-R184 VanDerWaalsContact OG-CD 3.24Å; S99-R184 WeakPolarHBondContact OG-CD 3.41Å; E101-R184 VanDerWaalsContact CD-NH2 3.31Å; E101-R184 IonicContact OE1-CZ 3.82Å; E101-R184 VanDerWaalsContact OE1-CZ 3.3Å; E101-R184 IonicContact OE1-NE 3.81Å; E101-R184 PolarHBondContact OE1-NE 2.67Å; E101-R184 IonicContact OE1-NH2 2.68Å; E101-R184 PolarHBondContact OE1-NH2 3.01Å; E101-R184 IonicContact OE2-CZ 2.65Å; E101-R184 IonicContact OE2-NE 3.34Å; E101-R184 IonicContact OE2-NH2 3.92Å; E101-R184 PolarHBondContact OE2-NH2 3.34Å
185	G	90.8	Very high	91.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-144.9	-178.6	0	0	0	0	0	113	C30 N31 L32 L96 T98	C30-G185 CarbonylContact C-O 3.56Å; C30-G185 CarbonylContact O-C 3.55Å; C30-G185 WeakPolarHBondContact O-CA 3.16Å; N31-G185 PolarHBondContact N-O 3.47Å; L32-G185 PolarHBondContact N-O 2.74Å; L32-G185 PolarHBondContact O-N 3.11Å; L96-G185 WeakPolarHBondContact O-CA 3.42Å; T98-G185 WeakPolarHBondContact OG1-CA 3.46Å
186	C	86.6	Confident	91.8	Very high	35 Å²	35	22.1 Å²	22.1	24%	0.236	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-174.9	166.6	61	0	0	0	0	108.3	C30 R95 L96	C30-C186 HydrophobicContact CB-CB 3.8Å; C30-C186 WeakPolarHBondContact CB-SG 3.44Å; C30-C186 WeakPolarHBondContact SG-CB 3.43Å; C30-C186 PolarHBondContact SG-N 2.84Å; C30-C186 CovalentContact SG-SG 2.04Å; C30-C186 PolarHBondContact SG-SG 2.9Å; R95-C186 CarbonylContact C-O 3.57Å; R95-C186 WeakPolarHBondContact CA-O 3.4Å; R95-C186 WeakPolarHBondContact CB-O 3.36Å; L96-C186 PolarHBondContact N-O 3.47Å; L96-C186 PolarHBondContact O-N 2.9Å; L96-C186 VanDerWaalsContact O-N 3.11Å
187	S	86.2	Confident	91.8	Very high	29 Å²	29	19.3 Å²	19.3	20%	0.203	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	170.5	176.2	67.6	0	0	0	0	113.8	E771	S187-E771 VanDerWaalsContact CB-CB 3.47Å; S187-E771 WeakPolarHBondContact CB-OE1 3.43Å; S187-E771 WeakPolarHBondContact CB-OE2 3.46Å; S187-E771 VanDerWaalsContact OG-CB 3.29Å; S187-E771 WeakPolarHBondContact OG-CB 3.3Å; S187-E771 WeakPolarHBondContact OG-CG 3.18Å; S187-E771 PolarHBondContact OG-OE1 2.74Å
188	F	85.7	Confident	91.6	Very high	20 Å²	20	20.7 Å²	20.7	9%	0.088	12%	0.117	C	C	.	.			trans	-129.1	72.4	173.8	-163	-97.2	0	0	0	110.9	R94 L96 V161 D190 L227 Y231	R94-F188 HydrophobicContact CB-CB 4.13Å; R94-F188 HydrophobicContact CB-CD1 4.47Å; R94-F188 PolarHBondContact NH2-O 3.21Å; R94-F188 WeakPolarHBondContact O-CB 3.13Å; R94-F188 PolarHBondContact O-N 3.34Å; L96-F188 HydrophobicContact CB-CD2 4.33Å; V161-F188 HydrophobicContact CB-CD1 4.49Å; V161-F188 HydrophobicContact CB-CG 4.47Å; V161-F188 HydrophobicContact CG1-CB 4.06Å; V161-F188 HydrophobicContact CG1-CD1 3.58Å; V161-F188 HydrophobicContact CG1-CD2 4.34Å; V161-F188 HydrophobicContact CG1-CE1 4.03Å; V161-F188 HydrophobicContact CG1-CG 3.73Å; V161-F188 HydrophobicContact CG2-CD1 4.06Å; V161-F188 HydrophobicContact CG2-CD2 3.55Å; V161-F188 HydrophobicContact CG2-CE1 3.99Å; V161-F188 HydrophobicContact CG2-CE2 3.47Å; V161-F188 VanDerWaalsContact CG2-CE2 3.47Å; V161-F188 HydrophobicContact CG2-CG 3.83Å; V161-F188 HydrophobicContact CG2-CZ 3.69Å; F188-D190 HydrophobicContact CD1-CB 4.29Å; F188-D190 HydrophobicContact CE1-CB 3.85Å; F188-D190 HydrophobicContact CE2-CB 4.12Å; F188-D190 HydrophobicContact CZ-CB 3.78Å; F188-D190 PolarHBondContact O-N 2.98Å; F188-L227 HydrophobicContact CZ-CD1 4.36Å; F188-Y231 HydrophobicContact CE2-CD1 4.46Å; F188-Y231 HydrophobicContact CE2-CE1 4.12Å; F188-Y231 HydrophobicContact CZ-CD1 4.13Å; F188-Y231 AromaticContact CZ-CE1 3.79Å; F188-Y231 HydrophobicContact CZ-CE1 3.79Å
189	A	76.9	Confident	90.9	Very high	74 Å²	74	23.5 Å²	23.5	61%	0.612	13%	0.128	S	C	*	.			trans	-61.8	-12.7	169.3	0	0	0	0	0	113.8	E771	A189-E771 VanDerWaalsContact CB-OE1 3.31Å; A189-E771 WeakPolarHBondContact CB-OE1 3.4Å; A189-E771 PolarHBondContact N-OE1 2.67Å
190	D	79.2	Confident	89.5	Confident	40 Å²	40	23.9 Å²	23.9	21%	0.214	13%	0.13	C	C	.	.			trans	-64.1	131.3	-169.5	-162.7	-79.5	0	0	0	111.7	R94 F188 L192 Y231	R94-D190 PolarHBondContact NH2-O 3.1Å; F188-D190 HydrophobicContact CD1-CB 4.29Å; F188-D190 HydrophobicContact CE1-CB 3.85Å; F188-D190 HydrophobicContact CE2-CB 4.12Å; F188-D190 HydrophobicContact CZ-CB 3.78Å; F188-D190 PolarHBondContact O-N 2.98Å; D190-L192 PolarHBondContact O-N 3.43Å; D190-L192 VanDerWaalsContact OD1-CB 3.24Å; D190-L192 WeakPolarHBondContact OD1-CB 3.34Å; D190-L192 PolarHBondContact OD1-N 2.68Å; D190-Y231 PolarHBondContact OD1-OH 3.23Å; D190-Y231 PolarHBondContact OD2-OH 3.24Å
191	P	85.4	Confident	87.6	Confident	7 Å²	7	31.1 Å²	31.1	5%	0.045	16%	0.162	C	C	.	.			trans	-61.4	-18.2	178.7	30.6	-44.6	0	0	0	115	R193 F265 A266 R269	P191-R193 PolarHBondContact O-N 3.14Å; P191-F265 HydrophobicContact CB-CB 4.39Å; P191-F265 HydrophobicContact CB-CD1 3.88Å; P191-F265 HydrophobicContact CG-CD1 3.64Å; P191-F265 HydrophobicContact CG-CE1 4.12Å; P191-F265 CarbonylContact O-C 3.4Å; P191-F265 WeakPolarHBondContact O-CA 3.39Å; P191-A266 WeakPolarHBondContact O-CB 3.31Å; P191-A266 PolarHBondContact O-N 3.35Å; P191-R269 HydrophobicContact CB-CG 4.28Å; P191-R269 VanDerWaalsContact CD-CZ 3.48Å; P191-R269 HydrophobicContact CG-CG 4.27Å; P191-R269 VanDerWaalsContact CG-NE 3.34Å
192	L	93.2	Very high	85.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	137.4	-175.6	-167	68.9	0	0	0	110.1	R94 D190 L227 Y231 F263 F265	R94-L192 PolarHBondContact NH1-O 3.43Å; D190-L192 PolarHBondContact O-N 3.43Å; D190-L192 VanDerWaalsContact OD1-CB 3.24Å; D190-L192 WeakPolarHBondContact OD1-CB 3.34Å; D190-L192 PolarHBondContact OD1-N 2.68Å; L192-L227 HydrophobicContact CD2-CD2 3.7Å; L192-L227 HydrophobicContact CG-CD2 4.05Å; L192-Y231 HydrophobicContact CB-CE1 4.23Å; L192-Y231 HydrophobicContact CD2-CD1 3.56Å; L192-Y231 HydrophobicContact CD2-CD2 3.78Å; L192-Y231 HydrophobicContact CD2-CE1 3.75Å; L192-Y231 HydrophobicContact CD2-CE2 3.96Å; L192-Y231 HydrophobicContact CD2-CG 3.59Å; L192-F263 HydrophobicContact CD1-CB 3.91Å; L192-F263 HydrophobicContact CD1-CD1 3.95Å; L192-F263 HydrophobicContact CD1-CG 4.45Å; L192-F263 HydrophobicContact CD2-CD1 4.16Å; L192-F265 HydrophobicContact CB-CD1 4.25Å; L192-F265 HydrophobicContact CB-CE1 4.07Å; L192-F265 HydrophobicContact CD1-CD1 4.02Å; L192-F265 HydrophobicContact CD1-CE1 3.65Å; L192-F265 HydrophobicContact CD1-CE2 4.18Å; L192-F265 HydrophobicContact CD1-CG 4.47Å; L192-F265 HydrophobicContact CD1-CZ 3.73Å; L192-F265 HydrophobicContact CG-CE1 4.45Å
193	R	92.6	Very high	83.4	Confident	114 Å²	114	40.5 Å²	40.5	43%	0.43	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-46.7	177.7	-77.1	-166.4	155.8	170.2	4.9	111.5	E126 P191 N264 A266	E126-R193 HydrophobicContact CG-CB 3.72Å; E126-R193 HydrophobicContact CG-CG 3.86Å; E126-R193 WeakPolarHBondContact OE1-CG 3.36Å; E126-R193 IonicContact OE1-CZ 3.66Å; E126-R193 IonicContact OE1-NE 3.1Å; E126-R193 PolarHBondContact OE1-NE 3.47Å; E126-R193 VanDerWaalsContact OE1-NE 3.14Å; P191-R193 PolarHBondContact O-N 3.14Å; R193-N264 WeakPolarHBondContact CB-O 3.48Å; R193-N264 PolarHBondContact N-O 3.19Å; R193-A266 HydrophobicContact CG-CB 4.02Å
194	S	95.7	Very high	81.3	Confident	16 Å²	16	45.9 Å²	45.9	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	161.2	-178.3	53.6	0	0	0	0	110.6	G225 G226 N264	S194-G225 WeakPolarHBondContact CB-O 3.39Å; S194-G226 CarbonylContact C-O 3.58Å; S194-G226 WeakPolarHBondContact CA-O 3.38Å; S194-G226 VanDerWaalsContact CB-O 3.26Å; S194-G226 WeakPolarHBondContact CB-O 3.43Å; S194-N264 PolarHBondContact O-N 2.74Å
195	Y	96.4	Very high	79.2	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	167.7	158.8	56.9	-97.1	0	0	0	111.3	D210 Y213 M223 G226 L227 G228 Q229 L230 E262 F263	Y195-D210 PolarHBondContact OH-OD2 3.32Å; Y195-Y213 AromaticContact CD2-CE2 3.85Å; Y195-Y213 HydrophobicContact CD2-CE2 3.85Å; Y195-Y213 AromaticContact CE2-CD2 3.67Å; Y195-Y213 HydrophobicContact CE2-CD2 3.67Å; Y195-Y213 AromaticContact CE2-CE2 3.44Å; Y195-Y213 HydrophobicContact CE2-CE2 3.44Å; Y195-Y213 VanDerWaalsContact CE2-CE2 3.44Å; Y195-Y213 AromaticContact CZ-CD2 3.85Å; Y195-Y213 AromaticContact CZ-CE2 3.88Å; Y195-Y213 PolarHBondContact O-OH 3.37Å; Y195-M223 HydrophobicContact CE2-SD 4.44Å; Y195-G226 PolarHBondContact N-O 3.09Å; Y195-L227 HydrophobicContact CD1-CD2 3.92Å; Y195-L227 HydrophobicContact CE1-CD2 4.18Å; Y195-G228 WeakPolarHBondContact OH-CA 3.38Å; Y195-G228 PolarHBondContact OH-N 3.28Å; Y195-G228 PolarHBondContact OH-O 3.2Å; Y195-Q229 PolarHBondContact OH-N 3.08Å; Y195-L230 HydrophobicContact CD2-CD1 4.24Å; Y195-L230 HydrophobicContact CE1-CB 4Å; Y195-L230 HydrophobicContact CE2-CB 4.13Å; Y195-L230 HydrophobicContact CE2-CD1 3.87Å; Y195-L230 HydrophobicContact CE2-CG 4.27Å; Y195-L230 PolarHBondContact OH-N 2.75Å; Y195-E262 CarbonylContact C-O 3.57Å; Y195-E262 WeakPolarHBondContact CA-O 3.36Å; Y195-E262 VanDerWaalsContact CB-O 3.23Å; Y195-E262 WeakPolarHBondContact CB-O 3.39Å; Y195-F263 HydrophobicContact CD1-CE1 4.11Å; Y195-F263 HydrophobicContact CG-CD1 4.46Å; Y195-F263 HydrophobicContact CG-CE1 4Å
196	A	95.5	Very high	77.6	Confident	11 Å²	11	55.9 Å²	55.9	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.9	167.1	0	0	0	0	0	109.5	M223 L261 E262	A196-M223 CarbonylContact C-O 3.57Å; A196-M223 WeakPolarHBondContact CA-O 3.45Å; A196-M223 VanDerWaalsContact CB-O 3.26Å; A196-M223 WeakPolarHBondContact CB-O 3.38Å; A196-L261 WeakPolarHBondContact O-CA 3.49Å; A196-E262 HydrophobicContact CB-CB 4.13Å; A196-E262 PolarHBondContact N-O 2.77Å; A196-E262 PolarHBondContact O-N 3.33Å
197	A	94.2	Very high	76.5	Confident	3 Å²	3	57.9 Å²	57.9	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.4	-177.5	0	0	0	0	0	111.2	M223 W250 L261	A197-M223 HydrophobicContact CB-CG 3.9Å; A197-M223 HydrophobicContact CB-SD 3.95Å; A197-M223 PolarHBondContact N-O 2.97Å; A197-M223 WeakPolarHBondContact O-CG 3.37Å; A197-M223 PolarHBondContact O-N 2.83Å; A197-W250 HydrophobicContact CB-CZ2 4.35Å; A197-L261 HydrophobicContact CB-CD2 3.5Å
198	P	90.8	Very high	76	Confident	30 Å²	30	57 Å²	57	20%	0.195	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	142.9	166.3	-13.5	30.4	0	0	0	110	G221 W250 T255 V259 E260	P198-G221 CarbonylContact C-O 3.59Å; P198-G221 WeakPolarHBondContact CA-O 3.44Å; P198-W250 PolarHBondContact O-NE1 3.39Å; P198-T255 HydrophobicContact CB-CG2 4.34Å; P198-V259 HydrophobicContact CG-CG1 4.28Å; P198-E260 WeakPolarHBondContact CD-O 3.34Å
199	W	80.6	Confident	75.8	Confident	61 Å²	61	58.4 Å²	58.4	23%	0.231	29%	0.291	C	S	.	.			trans	-98.9	123	168.5	-174.5	-58.7	0	0	0	108.3	M209 V217 G221 M223	W199-M209 HydrophobicContact CZ2-SD 4.2Å; W199-V217 HydrophobicContact CD2-CG1 3.9Å; W199-V217 HydrophobicContact CE3-CB 4.23Å; W199-V217 HydrophobicContact CE3-CG1 3.36Å; W199-V217 HydrophobicContact CE3-CG2 3.82Å; W199-V217 HydrophobicContact CH2-CG1 4.12Å; W199-V217 HydrophobicContact CH2-CG2 4.04Å; W199-V217 HydrophobicContact CZ3-CB 4.04Å; W199-V217 HydrophobicContact CZ3-CG1 3.53Å; W199-V217 HydrophobicContact CZ3-CG2 3.27Å; W199-G221 PolarHBondContact N-O 2.8Å; W199-M223 HydrophobicContact CB-CE 4.37Å; W199-M223 HydrophobicContact CD2-CE 4.04Å; W199-M223 HydrophobicContact CE3-CB 4.34Å; W199-M223 HydrophobicContact CE3-CE 3.38Å; W199-M223 HydrophobicContact CG-CE 4.46Å; W199-M223 HydrophobicContact CZ3-CE 3.97Å
200	S	64.8	Low	76.4	Confident	8 Å²	8	55 Å²	55	6%	0.056	26%	0.262	C	S	.	.			trans	-109.3	132.2	173.3	47.2	0	0	0	0	112	A202 M209 G249	S200-A202 PolarHBondContact O-N 2.95Å; S200-M209 WeakPolarHBondContact O-CG 3.36Å; S200-G249 PolarHBondContact OG-O 2.99Å
201	F	57.4	Low	76.7	Confident	153 Å²	153	54.8 Å²	54.8	67%	0.671	26%	0.262	S	S	*	.			trans	-82.2	96.5	174	-83.5	-92.3	0	0	0	110.1	E203	F201-E203 PolarHBondContact O-N 3.38Å
202	A	52.9	Low	77	Confident	21 Å²	21	55.3 Å²	55.3	17%	0.174	27%	0.265	C	S	.	.			trans	-68.9	94.9	170.6	0	0	0	0	0	110.4	S200 D204 R206 W347	S200-A202 PolarHBondContact O-N 2.95Å; A202-D204 PolarHBondContact O-N 3.39Å; A202-R206 VanDerWaalsContact CB-O 3.27Å; A202-R206 WeakPolarHBondContact CB-O 3.27Å; A202-W347 HydrophobicContact CB-CH2 4.47Å
203	E	52.5	Low	77	Confident	175 Å²	175	56 Å²	56	82%	0.818	27%	0.268	S	S	*	.			trans	-56.8	-19.5	-179.2	-72.8	-172.9	131.5	0	0	114.2	F201 N205	F201-E203 PolarHBondContact O-N 3.38Å; E203-N205 PolarHBondContact O-N 3.49Å
204	D	53.2	Low	77.1	Confident	114 Å²	114	51 Å²	51	61%	0.61	25%	0.25	S	S	*	.	S	Bend	trans	-105.3	39.8	-160.6	-149.5	35.2	0	0	0	113.5	A202 R206	A202-D204 PolarHBondContact O-N 3.39Å; D204-R206 WeakPolarHBondContact O-CG 3.25Å; D204-R206 PolarHBondContact O-N 3.41Å; D204-R206 IonicContact OD2-CZ 3.01Å; D204-R206 IonicContact OD2-NH2 3.02Å; D204-R206 PolarHBondContact OD2-NH2 2.9Å
205	N	51.8	Low	77	Confident	170 Å²	170	51.2 Å²	51.2	91%	0.909	25%	0.254	S	S	*	.	S	Bend	trans	56.9	22.7	174.8	-142.3	14.9	0	0	0	115.1	E203	E203-N205 PolarHBondContact O-N 3.49Å
206	R	57.6	Low	76.7	Confident	91 Å²	91	55.8 Å²	55.8	34%	0.343	28%	0.279	S	S	.	.			trans	-110.2	110.3	-179.5	-71.1	173.4	-159.3	166.3	14.7	110.1	A202 D204 W208	A202-R206 VanDerWaalsContact CB-O 3.27Å; A202-R206 WeakPolarHBondContact CB-O 3.27Å; D204-R206 WeakPolarHBondContact O-CG 3.25Å; D204-R206 PolarHBondContact O-N 3.41Å; D204-R206 IonicContact OD2-CZ 3.01Å; D204-R206 IonicContact OD2-NH2 3.02Å; D204-R206 PolarHBondContact OD2-NH2 2.9Å; R206-W208 VanDerWaalsContact C-N 3.35Å; R206-W208 HydrophobicContact CB-CD2 4.25Å; R206-W208 HydrophobicContact CB-CE3 4.32Å; R206-W208 HydrophobicContact CB-CZ3 4.5Å; R206-W208 PolarHBondContact O-N 3.07Å
207	R	63	Low	76.4	Confident	78 Å²	78	58.9 Å²	58.9	29%	0.294	30%	0.296	S	S	.	.			trans	-68.8	90	172.6	-68.5	-179.4	175.9	140.8	1.8	109.8	R136 N137 E138 S244	R136-R207 PolarHBondContact O-NH1 3.36Å; N137-R207 PolarHBondContact O-NH2 2.9Å; E138-R207 IonicContact OE1-CZ 3.98Å; E138-R207 IonicContact OE1-NE 3.1Å; E138-R207 PolarHBondContact OE1-NE 3.07Å; E138-R207 IonicContact OE1-NH2 2.67Å; E138-R207 PolarHBondContact OE1-NH2 2.79Å; R207-S244 CarbonylContact O-C 3.5Å; R207-S244 VanDerWaalsContact O-C 3.31Å; R207-S244 VanDerWaalsContact O-CB 3.27Å; R207-S244 WeakPolarHBondContact O-CB 3.38Å; R207-S244 VanDerWaalsContact O-O 3.1Å; R207-S244 PolarHBondContact O-OG 3.28Å
208	W	76.4	Confident	76.1	Confident	11 Å²	11	63.9 Å²	63.9	4%	0.042	32%	0.318	C	S	.	.			trans	-115.2	13	163.6	-64	-38.7	0	0	0	112	R206 W247 V248 G249 M286 W347 L349	R206-W208 VanDerWaalsContact C-N 3.35Å; R206-W208 HydrophobicContact CB-CD2 4.25Å; R206-W208 HydrophobicContact CB-CE3 4.32Å; R206-W208 HydrophobicContact CB-CZ3 4.5Å; R206-W208 PolarHBondContact O-N 3.07Å; W208-W247 WeakPolarHBondContact CA-O 3.38Å; W208-V248 CarbonylContact O-C 3.58Å; W208-V248 WeakPolarHBondContact O-CA 3.47Å; W208-G249 PolarHBondContact O-N 3.36Å; W208-M286 HydrophobicContact CH2-CE 3.21Å; W208-M286 HydrophobicContact CZ2-CE 3.37Å; W208-M286 HydrophobicContact CZ3-CE 4.28Å; W208-W347 HydrophobicContact CE3-CD2 4.17Å; W208-W347 AromaticContact CE3-CE3 3.67Å; W208-W347 HydrophobicContact CE3-CE3 3.67Å; W208-W347 AromaticContact CE3-CH2 3.62Å; W208-W347 HydrophobicContact CE3-CH2 3.62Å; W208-W347 HydrophobicContact CE3-CZ2 4.13Å; W208-W347 AromaticContact CE3-CZ3 3.38Å; W208-W347 HydrophobicContact CE3-CZ3 3.38Å; W208-W347 AromaticContact CZ3-CD2 3.73Å; W208-W347 HydrophobicContact CZ3-CD2 3.73Å; W208-W347 AromaticContact CZ3-CE2 3.66Å; W208-W347 AromaticContact CZ3-CE3 3.73Å; W208-W347 HydrophobicContact CZ3-CE3 3.73Å; W208-W347 AromaticContact CZ3-CH2 3.63Å; W208-W347 HydrophobicContact CZ3-CH2 3.63Å; W208-W347 AromaticContact CZ3-CZ2 3.62Å; W208-W347 HydrophobicContact CZ3-CZ2 3.62Å; W208-W347 AromaticContact CZ3-CZ3 3.69Å; W208-W347 HydrophobicContact CZ3-CZ3 3.69Å; W208-L349 HydrophobicContact CD2-CD2 4.28Å; W208-L349 HydrophobicContact CG-CD2 4.36Å
209	M	81.9	Confident	75.6	Confident	48 Å²	48	69 Å²	69	24%	0.236	35%	0.354	C	S	.	.	S	Bend	trans	-79.2	153.3	168.1	-62.3	176.5	-65.1	0	0	109.1	W199 S200 N211 Q229	W199-M209 HydrophobicContact CZ2-SD 4.2Å; S200-M209 WeakPolarHBondContact O-CG 3.36Å; M209-N211 VanDerWaalsContact O-CG 3.31Å; M209-N211 PolarHBondContact O-N 3.45Å; M209-N211 PolarHBondContact O-ND2 2.84Å; M209-Q229 PolarHBondContact O-OE1 3.03Å
210	D	89.1	Confident	75.7	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.011	37%	0.372	C	S	.	.			trans	-74.9	88.6	171.8	-166	-31	0	0	0	109.6	Y195 S212 Y213 M223 Q229 V248	Y195-D210 PolarHBondContact OH-OD2 3.32Å; D210-S212 PolarHBondContact O-N 3.33Å; D210-S212 PolarHBondContact OD1-OG 3.38Å; D210-S212 VanDerWaalsContact OD1-OG 3.07Å; D210-Y213 WeakPolarHBondContact O-CB 3.27Å; D210-Y213 PolarHBondContact O-N 3.21Å; D210-Y213 PolarHBondContact OD1-N 3.45Å; D210-M223 HydrophobicContact CB-CE 3.84Å; D210-M223 HydrophobicContact CB-SD 4.28Å; D210-Q229 WeakPolarHBondContact OD1-CG 3.41Å; D210-Q229 PolarHBondContact OD1-N 3.45Å; D210-Q229 PolarHBondContact OD2-N 3.08Å; D210-V248 HydrophobicContact CB-CG1 4.39Å; D210-V248 HydrophobicContact CB-CG2 3.87Å
211	N	85.9	Confident	76.5	Confident	37 Å²	37	72.1 Å²	72.1	20%	0.198	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.3	-171.1	-49.7	-74.9	0	0	0	112.7	M209 Q229 Y245	M209-N211 VanDerWaalsContact O-CG 3.31Å; M209-N211 PolarHBondContact O-N 3.45Å; M209-N211 PolarHBondContact O-ND2 2.84Å; N211-Q229 PolarHBondContact ND2-OE1 2.87Å; N211-Y245 HydrophobicContact CB-CD2 4.45Å; N211-Y245 HydrophobicContact CB-CE2 3.81Å
212	S	91.1	Very high	78	Confident	18 Å²	18	67.1 Å²	67.1	13%	0.126	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.5	176.2	73.8	0	0	0	0	113.1	S158 D210 D214 G228 Q229	S158-S212 VanDerWaalsContact OG-CB 3.25Å; S158-S212 WeakPolarHBondContact OG-CB 3.18Å; S158-S212 PolarHBondContact OG-OG 2.95Å; D210-S212 PolarHBondContact O-N 3.33Å; D210-S212 PolarHBondContact OD1-OG 3.38Å; D210-S212 VanDerWaalsContact OD1-OG 3.07Å; S212-D214 PolarHBondContact O-N 3.02Å; S212-G228 VanDerWaalsContact OG-C 3.25Å; S212-G228 WeakPolarHBondContact OG-CA 3.4Å; S212-Q229 WeakPolarHBondContact OG-CG 3.42Å; S212-Q229 PolarHBondContact OG-N 2.83Å
213	Y	93.5	Very high	79.9	Confident	14 Å²	14	66.3 Å²	66.3	6%	0.055	35%	0.354	C	S	.	.			trans	-59.6	122.1	-169.1	-169.3	-96.5	0	0	0	112.3	Y195 D210 G215 M223 T224 G225 G226 L227	Y195-Y213 AromaticContact CD2-CE2 3.85Å; Y195-Y213 HydrophobicContact CD2-CE2 3.85Å; Y195-Y213 AromaticContact CE2-CD2 3.67Å; Y195-Y213 HydrophobicContact CE2-CD2 3.67Å; Y195-Y213 AromaticContact CE2-CE2 3.44Å; Y195-Y213 HydrophobicContact CE2-CE2 3.44Å; Y195-Y213 VanDerWaalsContact CE2-CE2 3.44Å; Y195-Y213 AromaticContact CZ-CD2 3.85Å; Y195-Y213 AromaticContact CZ-CE2 3.88Å; Y195-Y213 PolarHBondContact O-OH 3.37Å; D210-Y213 WeakPolarHBondContact O-CB 3.27Å; D210-Y213 PolarHBondContact O-N 3.21Å; D210-Y213 PolarHBondContact OD1-N 3.45Å; Y213-G215 VanDerWaalsContact CE1-CA 3.45Å; Y213-M223 HydrophobicContact CD1-CB 3.92Å; Y213-M223 HydrophobicContact CD2-SD 3.99Å; Y213-M223 HydrophobicContact CE1-CB 3.57Å; Y213-M223 HydrophobicContact CE2-CB 4.46Å; Y213-M223 HydrophobicContact CE2-SD 4.2Å; Y213-M223 HydrophobicContact CG-CB 4.46Å; Y213-M223 HydrophobicContact CG-CE 4.5Å; Y213-M223 HydrophobicContact CG-SD 4.15Å; Y213-T224 WeakPolarHBondContact OH-CA 3.39Å; Y213-T224 PolarHBondContact OH-N 3.13Å; Y213-T224 PolarHBondContact OH-O 3.44Å; Y213-G225 PolarHBondContact OH-N 2.85Å; Y213-G226 VanDerWaalsContact CZ-CA 3.44Å; Y213-G226 WeakPolarHBondContact OH-CA 3.42Å; Y213-G226 PolarHBondContact OH-N 3.48Å; Y213-L227 WeakPolarHBondContact CA-O 3.39Å
214	D	94.7	Very high	81.8	Confident	10 Å²	10	60 Å²	60	5%	0.053	33%	0.328	C	S	.	.			trans	-106.8	9.5	-167.5	65.4	20.7	0	0	0	115.6	Y122 R124 L127 H131 S212 G226 L227	Y122-D214 HydrophobicContact CE2-CB 4.44Å; Y122-D214 WeakPolarHBondContact CE2-OD2 3.29Å; Y122-D214 WeakPolarHBondContact OH-CB 3.36Å; Y122-D214 PolarHBondContact OH-OD2 3.23Å; R124-D214 IonicContact CZ-OD1 2.94Å; R124-D214 IonicContact CZ-OD2 2.71Å; R124-D214 IonicContact NH1-OD1 2.97Å; R124-D214 PolarHBondContact NH1-OD1 3.12Å; R124-D214 VanDerWaalsContact NH1-OD1 3.1Å; R124-D214 IonicContact NH1-OD2 3.15Å; R124-D214 PolarHBondContact NH1-OD2 3.46Å; R124-D214 IonicContact NH2-OD1 3.23Å; R124-D214 PolarHBondContact NH2-OD1 3Å; R124-D214 IonicContact NH2-OD2 2.72Å; L127-D214 WeakPolarHBondContact CD2-O 3.01Å; H131-D214 HydrophobicContact CB-CB 4.25Å; H131-D214 WeakPolarHBondContact ND1-CB 3.4Å; S212-D214 PolarHBondContact O-N 3.02Å; D214-G226 VanDerWaalsContact OD1-CA 3.3Å; D214-G226 WeakPolarHBondContact OD1-CA 3.2Å; D214-L227 PolarHBondContact N-O 3.28Å; D214-L227 PolarHBondContact OD1-N 3.09Å
215	G	93.7	Very high	83.7	Confident	19 Å²	19	55.8 Å²	55.8	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	-96.4	-166.5	174.8	0	0	0	0	0	113.7	Y213 T224 G226	Y213-G215 VanDerWaalsContact CE1-CA 3.45Å; G215-T224 CarbonylContact C-O 3.58Å; G215-T224 WeakPolarHBondContact CA-O 3.31Å; G215-G226 VanDerWaalsContact CA-CA 3.47Å
216	D	91.1	Very high	85.7	Confident	98 Å²	98	47.7 Å²	47.7	52%	0.524	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.3	179.1	-68.3	-54.4	0	0	0	111.7	F218 M223 T224	D216-F218 HydrophobicContact CB-CE2 4.46Å; D216-F218 HydrophobicContact CB-CZ 4.46Å; D216-M223 WeakPolarHBondContact O-CA 3.36Å; D216-T224 PolarHBondContact N-O 3.44Å; D216-T224 PolarHBondContact O-N 3.07Å
217	V	89	Confident	87.5	Confident	75 Å²	75	43.7 Å²	43.7	46%	0.455	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	108.3	178.7	-174.9	0	0	0	0	108.5	W199	W199-V217 HydrophobicContact CD2-CG1 3.9Å; W199-V217 HydrophobicContact CE3-CB 4.23Å; W199-V217 HydrophobicContact CE3-CG1 3.36Å; W199-V217 HydrophobicContact CE3-CG2 3.82Å; W199-V217 HydrophobicContact CH2-CG1 4.12Å; W199-V217 HydrophobicContact CH2-CG2 4.04Å; W199-V217 HydrophobicContact CZ3-CB 4.04Å; W199-V217 HydrophobicContact CZ3-CG1 3.53Å; W199-V217 HydrophobicContact CZ3-CG2 3.27Å
218	F	86.7	Confident	89	Confident	109 Å²	109	40.3 Å²	40.3	48%	0.478	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.1	-179.3	-70.3	-66.8	0	0	0	112	D216 N220 G221 T222 T224	D216-F218 HydrophobicContact CB-CE2 4.46Å; D216-F218 HydrophobicContact CB-CZ 4.46Å; F218-N220 WeakPolarHBondContact CB-OD1 3.5Å; F218-N220 PolarHBondContact O-N 3.48Å; F218-G221 PolarHBondContact O-N 2.75Å; F218-T222 PolarHBondContact N-O 3.34Å; F218-T224 HydrophobicContact CD2-CG2 4.14Å; F218-T224 HydrophobicContact CE2-CG2 3.54Å
219	S	81.4	Confident	89.7	Confident	137 Å²	137	40 Å²	40	96%	0.958	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.1	178.3	53.8	0	0	0	0	114.6	G221	S219-G221 VanDerWaalsContact C-N 3.25Å
220	N	82.1	Confident	90.3	Very high	114 Å²	114	37.8 Å²	37.8	61%	0.61	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	4.9	171.6	72.5	-15.3	0	0	0	113.5	F218 T222	F218-N220 WeakPolarHBondContact CB-OD1 3.5Å; F218-N220 PolarHBondContact O-N 3.48Å; N220-T222 PolarHBondContact ND2-OG1 3.49Å; N220-T222 WeakPolarHBondContact OD1-CB 3.41Å; N220-T222 PolarHBondContact OD1-N 3.48Å; N220-T222 VanDerWaalsContact OD1-N 3.1Å; N220-T222 PolarHBondContact OD1-OG1 2.77Å
221	G	82.3	Confident	90.5	Very high	21 Å²	21	39 Å²	39	22%	0.216	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	36.3	-177	0	0	0	0	0	113.4	P198 W199 F218 S219	P198-G221 CarbonylContact C-O 3.59Å; P198-G221 WeakPolarHBondContact CA-O 3.44Å; W199-G221 PolarHBondContact N-O 2.8Å; F218-G221 PolarHBondContact O-N 2.75Å; S219-G221 VanDerWaalsContact C-N 3.25Å
222	T	87.6	Confident	90.6	Very high	48 Å²	48	37.5 Å²	37.5	29%	0.294	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.2	172.4	-51.4	0	0	0	0	110.3	F218 N220	F218-T222 PolarHBondContact N-O 3.34Å; N220-T222 PolarHBondContact ND2-OG1 3.49Å; N220-T222 WeakPolarHBondContact OD1-CB 3.41Å; N220-T222 PolarHBondContact OD1-N 3.48Å; N220-T222 VanDerWaalsContact OD1-N 3.1Å; N220-T222 PolarHBondContact OD1-OG1 2.77Å
223	M	92.5	Very high	90.4	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.2	168.7	49.5	172.2	65.5	0	0	109.6	Y195 A196 A197 W199 D210 Y213 D216	Y195-M223 HydrophobicContact CE2-SD 4.44Å; A196-M223 CarbonylContact C-O 3.57Å; A196-M223 WeakPolarHBondContact CA-O 3.45Å; A196-M223 VanDerWaalsContact CB-O 3.26Å; A196-M223 WeakPolarHBondContact CB-O 3.38Å; A197-M223 HydrophobicContact CB-CG 3.9Å; A197-M223 HydrophobicContact CB-SD 3.95Å; A197-M223 PolarHBondContact N-O 2.97Å; A197-M223 WeakPolarHBondContact O-CG 3.37Å; A197-M223 PolarHBondContact O-N 2.83Å; W199-M223 HydrophobicContact CB-CE 4.37Å; W199-M223 HydrophobicContact CD2-CE 4.04Å; W199-M223 HydrophobicContact CE3-CB 4.34Å; W199-M223 HydrophobicContact CE3-CE 3.38Å; W199-M223 HydrophobicContact CG-CE 4.46Å; W199-M223 HydrophobicContact CZ3-CE 3.97Å; D210-M223 HydrophobicContact CB-CE 3.84Å; D210-M223 HydrophobicContact CB-SD 4.28Å; Y213-M223 HydrophobicContact CD1-CB 3.92Å; Y213-M223 HydrophobicContact CD2-SD 3.99Å; Y213-M223 HydrophobicContact CE1-CB 3.57Å; Y213-M223 HydrophobicContact CE2-CB 4.46Å; Y213-M223 HydrophobicContact CE2-SD 4.2Å; Y213-M223 HydrophobicContact CG-CB 4.46Å; Y213-M223 HydrophobicContact CG-CE 4.5Å; Y213-M223 HydrophobicContact CG-SD 4.15Å; D216-M223 WeakPolarHBondContact O-CA 3.36Å
224	T	93.8	Very high	90.1	Very high	44 Å²	44	38.7 Å²	38.7	27%	0.27	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	165.2	176.4	-167.9	0	0	0	0	112.9	Y213 G215 D216 F218 G226	Y213-T224 WeakPolarHBondContact OH-CA 3.39Å; Y213-T224 PolarHBondContact OH-N 3.13Å; Y213-T224 PolarHBondContact OH-O 3.44Å; G215-T224 CarbonylContact C-O 3.58Å; G215-T224 WeakPolarHBondContact CA-O 3.31Å; D216-T224 PolarHBondContact N-O 3.44Å; D216-T224 PolarHBondContact O-N 3.07Å; F218-T224 HydrophobicContact CD2-CG2 4.14Å; F218-T224 HydrophobicContact CE2-CG2 3.54Å; T224-G226 PolarHBondContact O-N 3.38Å
225	G	92.6	Very high	89.7	Confident	24 Å²	24	41 Å²	41	25%	0.247	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77	-9.1	179.2	0	0	0	0	0	116.3	S194 Y213	S194-G225 WeakPolarHBondContact CB-O 3.39Å; Y213-G225 PolarHBondContact OH-N 2.85Å
226	G	94.8	Very high	89.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	173.9	-172.4	0	0	0	0	0	114.9	S194 Y195 Y213 D214 G215 T224	S194-G226 CarbonylContact C-O 3.58Å; S194-G226 WeakPolarHBondContact CA-O 3.38Å; S194-G226 VanDerWaalsContact CB-O 3.26Å; S194-G226 WeakPolarHBondContact CB-O 3.43Å; Y195-G226 PolarHBondContact N-O 3.09Å; Y213-G226 VanDerWaalsContact CZ-CA 3.44Å; Y213-G226 WeakPolarHBondContact OH-CA 3.42Å; Y213-G226 PolarHBondContact OH-N 3.48Å; D214-G226 VanDerWaalsContact OD1-CA 3.3Å; D214-G226 WeakPolarHBondContact OD1-CA 3.2Å; G215-G226 VanDerWaalsContact CA-CA 3.47Å; T224-G226 PolarHBondContact O-N 3.38Å
227	L	94.9	Very high	88.5	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.042	24%	0.24	C	C	.	.			trans	-122.3	167.6	161.8	-64.9	175.2	0	0	0	107.8	V161 F188 L192 Y195 Y213 D214	V161-L227 HydrophobicContact CB-CD1 4.3Å; V161-L227 HydrophobicContact CG2-CD1 4.11Å; F188-L227 HydrophobicContact CZ-CD1 4.36Å; L192-L227 HydrophobicContact CD2-CD2 3.7Å; L192-L227 HydrophobicContact CG-CD2 4.05Å; Y195-L227 HydrophobicContact CD1-CD2 3.92Å; Y195-L227 HydrophobicContact CE1-CD2 4.18Å; Y213-L227 WeakPolarHBondContact CA-O 3.39Å; D214-L227 PolarHBondContact N-O 3.28Å; D214-L227 PolarHBondContact OD1-N 3.09Å
228	G	93.7	Very high	87.4	Confident	7 Å²	7	40.3 Å²	40.3	7%	0.072	24%	0.244	C	C	.	.			trans	174.9	-147.5	-176	0	0	0	0	0	111.5	Y195 S212 L230 Y231 D232	Y195-G228 WeakPolarHBondContact OH-CA 3.38Å; Y195-G228 PolarHBondContact OH-N 3.28Å; Y195-G228 PolarHBondContact OH-O 3.2Å; S212-G228 VanDerWaalsContact OG-C 3.25Å; S212-G228 WeakPolarHBondContact OG-CA 3.4Å; G228-L230 VanDerWaalsContact C-N 3.26Å; G228-L230 PolarHBondContact O-N 3.19Å; G228-L230 VanDerWaalsContact O-N 3.15Å; G228-Y231 CarbonylContact O-C 3.59Å; G228-Y231 PolarHBondContact O-N 3.15Å; G228-D232 PolarHBondContact O-N 2.79Å
229	Q	92.2	Very high	86.2	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.023	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67.7	-20.6	-164.8	-57.6	-165.2	-105.3	0	0	114	Y195 M209 D210 N211 S212 Y231 Y245 V248	Y195-Q229 PolarHBondContact OH-N 3.08Å; M209-Q229 PolarHBondContact O-OE1 3.03Å; D210-Q229 WeakPolarHBondContact OD1-CG 3.41Å; D210-Q229 PolarHBondContact OD1-N 3.45Å; D210-Q229 PolarHBondContact OD2-N 3.08Å; N211-Q229 PolarHBondContact ND2-OE1 2.87Å; S212-Q229 WeakPolarHBondContact OG-CG 3.42Å; S212-Q229 PolarHBondContact OG-N 2.83Å; Q229-Y231 PolarHBondContact O-N 2.92Å; Q229-Y245 PolarHBondContact NE2-O 2.77Å; Q229-V248 HydrophobicContact CB-CG2 3.88Å
230	L	93.4	Very high	84.8	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-71.4	-7.5	171.7	-66.3	-178.8	0	0	0	113.4	Y195 G228 V248 W250 L261 I350 L353	Y195-L230 HydrophobicContact CD2-CD1 4.24Å; Y195-L230 HydrophobicContact CE1-CB 4Å; Y195-L230 HydrophobicContact CE2-CB 4.13Å; Y195-L230 HydrophobicContact CE2-CD1 3.87Å; Y195-L230 HydrophobicContact CE2-CG 4.27Å; Y195-L230 PolarHBondContact OH-N 2.75Å; G228-L230 VanDerWaalsContact C-N 3.26Å; G228-L230 PolarHBondContact O-N 3.19Å; G228-L230 VanDerWaalsContact O-N 3.15Å; L230-V248 HydrophobicContact CD2-CB 3.74Å; L230-V248 HydrophobicContact CD2-CG1 4.39Å; L230-V248 HydrophobicContact CD2-CG2 3.86Å; L230-V248 HydrophobicContact CG-CB 4.24Å; L230-V248 HydrophobicContact CG-CG2 3.99Å; L230-W250 HydrophobicContact CD1-CH2 4.06Å; L230-W250 HydrophobicContact CD1-CZ2 4.21Å; L230-W250 HydrophobicContact CD2-CH2 4.14Å; L230-L261 HydrophobicContact CD1-CD2 4.4Å; L230-I350 HydrophobicContact CD2-CB 4.03Å; L230-I350 HydrophobicContact CD2-CG2 3.82Å; L230-L353 HydrophobicContact CB-CD1 3.83Å; L230-L353 HydrophobicContact CD1-CD1 4.23Å; L230-L353 HydrophobicContact CD2-CD1 3.89Å; L230-L353 HydrophobicContact CG-CD1 4.22Å; L230-L353 PolarHBondContact O-N 3.1Å
231	Y	92.9	Very high	83.3	Confident	28 Å²	28	43 Å²	43	11%	0.11	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-152.3	29.1	-173.4	-148.9	-99.4	0	0	0	114.5	F188 D190 L192 G228 Q229 L353 F355	F188-Y231 HydrophobicContact CE2-CD1 4.46Å; F188-Y231 HydrophobicContact CE2-CE1 4.12Å; F188-Y231 HydrophobicContact CZ-CD1 4.13Å; F188-Y231 AromaticContact CZ-CE1 3.79Å; F188-Y231 HydrophobicContact CZ-CE1 3.79Å; D190-Y231 PolarHBondContact OD1-OH 3.23Å; D190-Y231 PolarHBondContact OD2-OH 3.24Å; L192-Y231 HydrophobicContact CB-CE1 4.23Å; L192-Y231 HydrophobicContact CD2-CD1 3.56Å; L192-Y231 HydrophobicContact CD2-CD2 3.78Å; L192-Y231 HydrophobicContact CD2-CE1 3.75Å; L192-Y231 HydrophobicContact CD2-CE2 3.96Å; L192-Y231 HydrophobicContact CD2-CG 3.59Å; G228-Y231 CarbonylContact O-C 3.59Å; G228-Y231 PolarHBondContact O-N 3.15Å; Q229-Y231 PolarHBondContact O-N 2.92Å; Y231-L353 WeakPolarHBondContact CD2-O 3.46Å; Y231-L353 WeakPolarHBondContact CE2-O 3.26Å; Y231-F355 AromaticContact CE2-CD2 3.89Å; Y231-F355 HydrophobicContact CE2-CD2 3.89Å; Y231-F355 HydrophobicContact CE2-CE2 4.21Å
232	D	89.8	Confident	81.8	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.032	26%	0.263	C	S	.	.	S	Bend	trans	-93.2	-6.9	176.6	69.9	5.8	0	0	0	113.4	R27 S158 P159 G228 V234	R27-D232 PolarHBondContact NH2-O 2.97Å; S158-D232 WeakPolarHBondContact CB-OD2 3.46Å; S158-D232 PolarHBondContact OG-OD2 3.49Å; P159-D232 WeakPolarHBondContact O-CB 3.07Å; G228-D232 PolarHBondContact O-N 2.79Å; D232-V234 WeakPolarHBondContact OD1-CA 3.38Å; D232-V234 WeakPolarHBondContact OD1-CB 3.24Å; D232-V234 WeakPolarHBondContact OD1-CG2 3.2Å; D232-V234 PolarHBondContact OD1-N 3.11Å
233	G	86.3	Confident	80.5	Confident	18 Å²	18	49.5 Å²	49.5	19%	0.186	26%	0.264	C	S	.	.	S	Bend	trans	80.8	13.6	-176.6	0	0	0	0	0	113.8	R27 E352	R27-G233 PolarHBondContact NH1-O 3.49Å; G233-E352 WeakPolarHBondContact CA-OE2 3.41Å; G233-E352 PolarHBondContact N-OE2 2.95Å
234	V	86.9	Confident	79.5	Confident	39 Å²	39	51.2 Å²	51.2	24%	0.236	28%	0.276	C	S	.	.			trans	-97.1	105.9	177.2	-176.6	0	0	0	0	110.1	P159 D232 G236 D246 E352	P159-V234 HydrophobicContact CG-CG2 4.28Å; D232-V234 WeakPolarHBondContact OD1-CA 3.38Å; D232-V234 WeakPolarHBondContact OD1-CB 3.24Å; D232-V234 WeakPolarHBondContact OD1-CG2 3.2Å; D232-V234 PolarHBondContact OD1-N 3.11Å; V234-G236 PolarHBondContact O-N 2.95Å; V234-D246 HydrophobicContact CG1-CB 4.48Å; V234-E352 PolarHBondContact N-OE2 3Å; V234-E352 VanDerWaalsContact N-OE2 3.1Å
235	V	86.4	Confident	79	Confident	59 Å²	59	49.7 Å²	49.7	36%	0.358	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-83	116.9	178.9	-174	0	0	0	0	110.1	H277 W324	V235-H277 WeakPolarHBondContact CG1-CE1 2.95Å; V235-H277 WeakPolarHBondContact CG1-ND1 3.15Å; V235-W324 HydrophobicContact CG2-CZ2 3.86Å
236	G	81.9	Confident	78.6	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.021	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-63.3	138.7	179.2	0	0	0	0	0	112.6	V234 W247 H277 S351	V234-G236 PolarHBondContact O-N 2.95Å; G236-W247 WeakPolarHBondContact O-CZ2 3.33Å; G236-H277 PolarHBondContact O-CE1 2.75Å; G236-H277 VanDerWaalsContact O-CE1 3.26Å; G236-S351 PolarHBondContact N-OG 2.72Å
237	S	77.6	Confident	78.2	Confident	59 Å²	59	49.9 Å²	49.9	41%	0.413	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-98.8	161	-172.3	77.2	0	0	0	0	114.5	R239 F240	S237-R239 PolarHBondContact O-N 3.47Å; S237-R239 VanDerWaalsContact O-N 3.15Å; S237-F240 VanDerWaalsContact O-CD2 3.29Å; S237-F240 WeakPolarHBondContact O-CD2 3.03Å; S237-F240 WeakPolarHBondContact O-CE2 3.02Å
238	E	66.5	Low	77.9	Confident	116 Å²	116	49.7 Å²	49.7	54%	0.542	26%	0.26	S	S	.	.	S	Bend	trans	-67.3	-4.5	174.8	-66.8	-163.9	160.4	0	0	115.3	F240 G321 T322	E238-F240 PolarHBondContact O-N 2.99Å; E238-G321 WeakPolarHBondContact OE1-CA 3.3Å; E238-T322 HydrophobicContact CG-CG2 3.8Å; E238-T322 VanDerWaalsContact CG-OG1 3.25Å; E238-T322 WeakPolarHBondContact CG-OG1 3.33Å; E238-T322 PolarHBondContact OE1-N 2.88Å
239	R	60.4	Low	77.7	Confident	226 Å²	226	49.4 Å²	49.4	85%	0.853	26%	0.257	S	S	*	.			trans	-76.4	57.9	175.6	-71	-174.4	176.9	173.9	0.7	111.2	S237 L241	S237-R239 PolarHBondContact O-N 3.47Å; S237-R239 VanDerWaalsContact O-N 3.15Å; R239-L241 PolarHBondContact O-N 3.24Å
240	F	51.6	Low	77.5	Confident	54 Å²	54	49.3 Å²	49.3	24%	0.237	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	98.7	-179.6	-99.8	-110	0	0	0	111	S237 E238 W247 F281 M286 L349	S237-F240 VanDerWaalsContact O-CD2 3.29Å; S237-F240 WeakPolarHBondContact O-CD2 3.03Å; S237-F240 WeakPolarHBondContact O-CE2 3.02Å; E238-F240 PolarHBondContact O-N 2.99Å; F240-W247 HydrophobicContact CE2-CD2 4.41Å; F240-W247 AromaticContact CE2-CE2 3.54Å; F240-W247 AromaticContact CE2-CZ2 3.79Å; F240-W247 HydrophobicContact CE2-CZ2 3.79Å; F240-W247 AromaticContact CE2-NE1 3.27Å; F240-W247 VanDerWaalsContact CE2-NE1 3.27Å; F240-W247 AromaticContact CZ-CD1 3.8Å; F240-W247 AromaticContact CZ-CD2 3.99Å; F240-W247 HydrophobicContact CZ-CD2 3.99Å; F240-W247 AromaticContact CZ-CE2 3.57Å; F240-W247 HydrophobicContact CZ-CG 4.13Å; F240-W247 HydrophobicContact CZ-CZ2 4.08Å; F240-W247 AromaticContact CZ-NE1 3.42Å; F240-F281 HydrophobicContact CD1-CD1 4.25Å; F240-F281 AromaticContact CD1-CD2 3.89Å; F240-F281 HydrophobicContact CD1-CD2 3.89Å; F240-F281 HydrophobicContact CD1-CE1 4.31Å; F240-F281 AromaticContact CD1-CE2 3.95Å; F240-F281 HydrophobicContact CD1-CE2 3.95Å; F240-F281 HydrophobicContact CD1-CG 4.05Å; F240-F281 HydrophobicContact CD1-CZ 4.17Å; F240-F281 HydrophobicContact CD2-CD1 4.28Å; F240-F281 AromaticContact CD2-CE1 3.6Å; F240-F281 HydrophobicContact CD2-CE1 3.6Å; F240-F281 AromaticContact CD2-CE2 3.94Å; F240-F281 HydrophobicContact CD2-CE2 3.94Å; F240-F281 AromaticContact CD2-CZ 3.41Å; F240-F281 HydrophobicContact CD2-CZ 3.41Å; F240-F281 VanDerWaalsContact CD2-CZ 3.41Å; F240-F281 AromaticContact CE1-CD2 3.51Å; F240-F281 HydrophobicContact CE1-CD2 3.51Å; F240-F281 HydrophobicContact CE1-CE1 4.49Å; F240-F281 AromaticContact CE1-CE2 3.37Å; F240-F281 HydrophobicContact CE1-CE2 3.37Å; F240-F281 HydrophobicContact CE1-CG 4.15Å; F240-F281 AromaticContact CE1-CZ 3.91Å; F240-F281 HydrophobicContact CE1-CZ 3.91Å; F240-F281 HydrophobicContact CE2-CD2 4.26Å; F240-F281 AromaticContact CE2-CE1 3.82Å; F240-F281 HydrophobicContact CE2-CE1 3.82Å; F240-F281 AromaticContact CE2-CE2 3.36Å; F240-F281 HydrophobicContact CE2-CE2 3.36Å; F240-F281 AromaticContact CE2-CZ 3.09Å; F240-F281 HydrophobicContact CE2-CZ 3.09Å; F240-F281 HydrophobicContact CG-CD1 4.11Å; F240-F281 HydrophobicContact CG-CD2 4.43Å; F240-F281 AromaticContact CG-CE1 3.89Å; F240-F281 HydrophobicContact CG-CE1 3.89Å; F240-F281 HydrophobicContact CG-CE2 4.22Å; F240-F281 HydrophobicContact CG-CG 4.38Å; F240-F281 AromaticContact CG-CZ 3.96Å; F240-F281 HydrophobicContact CG-CZ 3.96Å; F240-F281 AromaticContact CZ-CD2 3.75Å; F240-F281 HydrophobicContact CZ-CD2 3.75Å; F240-F281 HydrophobicContact CZ-CE1 4.28Å; F240-F281 AromaticContact CZ-CE2 3.05Å; F240-F281 HydrophobicContact CZ-CE2 3.05Å; F240-F281 AromaticContact CZ-CZ 3.4Å; F240-F281 HydrophobicContact CZ-CZ 3.4Å; F240-M286 HydrophobicContact CE1-SD 4.36Å; F240-L349 HydrophobicContact CE1-CD1 3.73Å; F240-L349 HydrophobicContact CZ-CD1 3.9Å
241	L	51.1	Low	77.1	Confident	136 Å²	136	52.9 Å²	52.9	71%	0.712	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	175.7	-24.8	140.1	-94.6	158.2	0	0	0	111.9	R239	R239-L241 PolarHBondContact O-N 3.24Å
242	N	51.7	Low	76.8	Confident	159 Å²	159	56 Å²	56	85%	0.85	28%	0.281	S	S	*	.	S	Bend	trans	-96.3	-13	-175.7	-77	12	0	0	0	115.3
243	C	58.7	Low	76.5	Confident	47 Å²	47	59.4 Å²	59.4	32%	0.318	31%	0.305	S	S	.	.			trans	-136.1	81.4	177.9	-71.7	0	0	0	0	109.9	R136	R136-C243 PolarHBondContact NH1-SG 3.19Å
244	S	73	Confident	76.4	Confident	39 Å²	39	62 Å²	62	27%	0.273	31%	0.312	S	S	.	.			trans	-72.4	-21.6	170.1	70.4	0	0	0	0	112.5	R207 D246 W247	R207-S244 CarbonylContact O-C 3.5Å; R207-S244 VanDerWaalsContact O-C 3.31Å; R207-S244 VanDerWaalsContact O-CB 3.27Å; R207-S244 WeakPolarHBondContact O-CB 3.38Å; R207-S244 VanDerWaalsContact O-O 3.1Å; R207-S244 PolarHBondContact O-OG 3.28Å; S244-D246 VanDerWaalsContact C-N 3.27Å; S244-D246 PolarHBondContact O-N 3.27Å; S244-W247 PolarHBondContact O-N 3.39Å
245	Y	81.8	Confident	76.2	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.047	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-46	-175.3	-174.9	-100.6	0	0	0	112.2	R136 D157 N211 Q229 W247	R136-Y245 VanDerWaalsContact CA-CE2 3.45Å; R136-Y245 HydrophobicContact CB-CD1 3.86Å; R136-Y245 HydrophobicContact CB-CD2 3.66Å; R136-Y245 HydrophobicContact CB-CE1 3.87Å; R136-Y245 HydrophobicContact CB-CE2 3.69Å; R136-Y245 HydrophobicContact CB-CG 3.75Å; D157-Y245 HydrophobicContact CB-CE1 4.34Å; N211-Y245 HydrophobicContact CB-CD2 4.45Å; N211-Y245 HydrophobicContact CB-CE2 3.81Å; Q229-Y245 PolarHBondContact NE2-O 2.77Å; Y245-W247 PolarHBondContact O-N 3.15Å
246	D	85.2	Confident	76.2	Confident	26 Å²	26	60.6 Å²	60.6	14%	0.139	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	17.1	-172.6	-35.4	-26.2	0	0	0	113.6	R136 V234 S244 S351	R136-D246 IonicContact CZ-OD1 2.7Å; R136-D246 IonicContact NH2-OD1 3.15Å; R136-D246 PolarHBondContact NH2-OD1 3.45Å; R136-D246 IonicContact NH2-OD2 3.85Å; V234-D246 HydrophobicContact CG1-CB 4.48Å; S244-D246 VanDerWaalsContact C-N 3.27Å; S244-D246 PolarHBondContact O-N 3.27Å; D246-S351 WeakPolarHBondContact O-CB 3.29Å
247	W	86.1	Confident	76.6	Confident	2 Å²	2	63 Å²	63	1%	0.008	33%	0.328	C	S	.	.			trans	-139.3	127.3	-177.4	-69.4	91.9	0	0	0	111.6	W208 G236 F240 S244 Y245 H277 T322 L349	W208-W247 WeakPolarHBondContact CA-O 3.38Å; G236-W247 WeakPolarHBondContact O-CZ2 3.33Å; F240-W247 HydrophobicContact CE2-CD2 4.41Å; F240-W247 AromaticContact CE2-CE2 3.54Å; F240-W247 AromaticContact CE2-CZ2 3.79Å; F240-W247 HydrophobicContact CE2-CZ2 3.79Å; F240-W247 AromaticContact CE2-NE1 3.27Å; F240-W247 VanDerWaalsContact CE2-NE1 3.27Å; F240-W247 AromaticContact CZ-CD1 3.8Å; F240-W247 AromaticContact CZ-CD2 3.99Å; F240-W247 HydrophobicContact CZ-CD2 3.99Å; F240-W247 AromaticContact CZ-CE2 3.57Å; F240-W247 HydrophobicContact CZ-CG 4.13Å; F240-W247 HydrophobicContact CZ-CZ2 4.08Å; F240-W247 AromaticContact CZ-NE1 3.42Å; S244-W247 PolarHBondContact O-N 3.39Å; Y245-W247 PolarHBondContact O-N 3.15Å; W247-H277 AromaticContact CH2-CE1 3.71Å; W247-H277 AromaticContact CH2-ND1 3.61Å; W247-T322 HydrophobicContact CH2-CG2 3.7Å; W247-T322 HydrophobicContact CZ2-CG2 3.5Å; W247-L349 HydrophobicContact CD2-CB 4.46Å; W247-L349 HydrophobicContact CE3-CB 3.71Å; W247-L349 HydrophobicContact CZ3-CB 4.18Å
248	V	89.4	Confident	77.2	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.9	164.7	-174.2	0	0	0	0	108.4	W208 D210 Q229 L230 W250 I350	W208-V248 CarbonylContact O-C 3.58Å; W208-V248 WeakPolarHBondContact O-CA 3.47Å; D210-V248 HydrophobicContact CB-CG1 4.39Å; D210-V248 HydrophobicContact CB-CG2 3.87Å; Q229-V248 HydrophobicContact CB-CG2 3.88Å; L230-V248 HydrophobicContact CD2-CB 3.74Å; L230-V248 HydrophobicContact CD2-CG1 4.39Å; L230-V248 HydrophobicContact CD2-CG2 3.86Å; L230-V248 HydrophobicContact CG-CB 4.24Å; L230-V248 HydrophobicContact CG-CG2 3.99Å; V248-W250 HydrophobicContact CB-CH2 4.35Å; V248-W250 HydrophobicContact CG1-CH2 3.88Å; V248-W250 HydrophobicContact CG1-CZ2 3.64Å; V248-I350 PolarHBondContact N-O 3.45Å; V248-I350 PolarHBondContact O-N 2.86Å; V248-I350 VanDerWaalsContact O-O 3.06Å
249	G	87.9	Confident	78.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.2	-170.7	0	0	0	0	0	113.5	S200 W208 L348	S200-G249 PolarHBondContact OG-O 2.99Å; W208-G249 PolarHBondContact O-N 3.36Å; G249-L348 VanDerWaalsContact CA-O 3.29Å; G249-L348 WeakPolarHBondContact CA-O 3.31Å
250	W	88.2	Confident	80.2	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.3	177.5	-55.2	-85.1	0	0	0	110.8	A197 P198 L230 V248 T255 V259 L261 M343 W347 L348 I350	A197-W250 HydrophobicContact CB-CZ2 4.35Å; P198-W250 PolarHBondContact O-NE1 3.39Å; L230-W250 HydrophobicContact CD1-CH2 4.06Å; L230-W250 HydrophobicContact CD1-CZ2 4.21Å; L230-W250 HydrophobicContact CD2-CH2 4.14Å; V248-W250 HydrophobicContact CB-CH2 4.35Å; V248-W250 HydrophobicContact CG1-CH2 3.88Å; V248-W250 HydrophobicContact CG1-CZ2 3.64Å; W250-T255 HydrophobicContact CB-CG2 4.1Å; W250-T255 HydrophobicContact CG-CG2 4.47Å; W250-V259 HydrophobicContact CB-CG2 3.67Å; W250-V259 HydrophobicContact CD2-CG1 3.67Å; W250-V259 HydrophobicContact CD2-CG2 4.02Å; W250-V259 HydrophobicContact CE3-CG1 3.99Å; W250-V259 HydrophobicContact CE3-CG2 4.27Å; W250-V259 HydrophobicContact CG-CG1 4.06Å; W250-V259 HydrophobicContact CG-CG2 3.77Å; W250-V259 HydrophobicContact CH2-CG1 4.47Å; W250-V259 HydrophobicContact CZ2-CG1 4.19Å; W250-V259 HydrophobicContact CZ3-CG1 4.39Å; W250-L261 HydrophobicContact CH2-CD1 4.46Å; W250-L261 HydrophobicContact CH2-CD2 4.02Å; W250-L261 HydrophobicContact CZ2-CD2 3.73Å; W250-M343 WeakPolarHBondContact O-CE 3.27Å; W250-W347 WeakPolarHBondContact O-CA 3.29Å; W250-L348 HydrophobicContact CE3-CD2 4.19Å; W250-L348 HydrophobicContact CE3-CG 4.24Å; W250-L348 HydrophobicContact CZ3-CD2 4.5Å; W250-L348 PolarHBondContact N-O 3.07Å; W250-L348 PolarHBondContact O-N 2.78Å; W250-I350 HydrophobicContact CH2-CB 4.42Å; W250-I350 HydrophobicContact CH2-CD1 4.13Å; W250-I350 HydrophobicContact CZ3-CB 4.07Å; W250-I350 HydrophobicContact CZ3-CD1 3.69Å; W250-I350 HydrophobicContact CZ3-CG1 3.86Å
251	R	85.6	Confident	82.3	Confident	75 Å²	75	48 Å²	48	28%	0.283	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.3	-179.5	-164.2	-170.7	-179.8	179.4	-4.1	112	S253 E254 T255 E346 W347	R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 WeakPolarHBondContact CD-OG 3.42Å; R251-S253 PolarHBondContact NE-OG 3.39Å; R251-S253 PolarHBondContact O-N 2.74Å; R251-E254 HydrophobicContact CB-CB 4.36Å; R251-E254 HydrophobicContact CB-CG 4.43Å; R251-E254 WeakPolarHBondContact CD-OE1 3.25Å; R251-E254 IonicContact CZ-OE1 2.91Å; R251-E254 IonicContact NE-OE1 3.72Å; R251-E254 IonicContact NH1-OE1 3.79Å; R251-E254 PolarHBondContact NH1-OE1 3.21Å; R251-E254 PolarHBondContact O-N 2.88Å; R251-T255 PolarHBondContact O-N 3.27Å; R251-T255 PolarHBondContact O-OG1 3.44Å; R251-E346 CarbonylContact C-O 3.34Å; R251-E346 WeakPolarHBondContact CA-O 3.36Å; R251-E346 HydrophobicContact CG-CG 4.2Å; R251-E346 WeakPolarHBondContact CG-OE1 3.44Å; R251-E346 IonicContact CZ-OE1 3.73Å; R251-E346 IonicContact NE-OE1 3.45Å; R251-E346 PolarHBondContact NE-OE1 2.97Å; R251-E346 IonicContact NH2-OE1 2.84Å; R251-W347 HydrophobicContact CB-CD2 4.08Å; R251-W347 HydrophobicContact CB-CE3 3.9Å; R251-W347 HydrophobicContact CB-CH2 3.62Å; R251-W347 HydrophobicContact CB-CZ2 3.79Å; R251-W347 HydrophobicContact CB-CZ3 3.66Å; R251-W347 VanDerWaalsContact CD-CZ2 3.48Å; R251-W347 HydrophobicContact CG-CD2 4.05Å; R251-W347 HydrophobicContact CG-CE3 4.39Å; R251-W347 HydrophobicContact CG-CH2 4Å; R251-W347 HydrophobicContact CG-CZ2 3.61Å; R251-W347 HydrophobicContact CG-CZ3 4.36Å
252	R	87.1	Confident	84.5	Confident	94 Å²	94	42.6 Å²	42.6	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-58.4	-34.2	-175.6	-174.2	175.7	-172.2	143.6	8.9	113.5	E254 G256 M343 E346	R252-E254 VanDerWaalsContact C-N 3.28Å; R252-E254 PolarHBondContact O-N 2.88Å; R252-G256 CarbonylContact O-C 3.57Å; R252-G256 WeakPolarHBondContact O-CA 3.4Å; R252-G256 PolarHBondContact O-N 2.79Å; R252-G256 VanDerWaalsContact O-N 3.15Å; R252-M343 HydrophobicContact CB-CE 3.91Å; R252-M343 HydrophobicContact CB-SD 3.9Å; R252-M343 HydrophobicContact CG-SD 4.43Å; R252-M343 PolarHBondContact NH1-O 3.06Å; R252-E346 WeakPolarHBondContact CB-O 3.12Å; R252-E346 PolarHBondContact N-O 2.95Å
253	S	84.3	Confident	86.7	Confident	77 Å²	77	35 Å²	35	54%	0.538	19%	0.193	S	C	.	.	H	α-helix	trans	-70.6	-21.2	176.5	68.3	0	0	0	0	114.2	R251 E346	R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 WeakPolarHBondContact CD-OG 3.42Å; R251-S253 PolarHBondContact NE-OG 3.39Å; R251-S253 PolarHBondContact O-N 2.74Å; S253-E346 PolarHBondContact OG-OE1 2.95Å
254	E	82.3	Confident	88.5	Confident	72 Å²	72	34.8 Å²	34.8	34%	0.336	19%	0.189	S	C	.	.	H	α-helix	trans	-106.2	-46.6	-174.5	-68.3	160	-150.8	0	0	111.3	R251 R252	R251-E254 HydrophobicContact CB-CB 4.36Å; R251-E254 HydrophobicContact CB-CG 4.43Å; R251-E254 WeakPolarHBondContact CD-OE1 3.25Å; R251-E254 IonicContact CZ-OE1 2.91Å; R251-E254 IonicContact NE-OE1 3.72Å; R251-E254 IonicContact NH1-OE1 3.79Å; R251-E254 PolarHBondContact NH1-OE1 3.21Å; R251-E254 PolarHBondContact O-N 2.88Å; R252-E254 VanDerWaalsContact C-N 3.28Å; R252-E254 PolarHBondContact O-N 2.88Å
255	T	82.7	Confident	89.5	Confident	36 Å²	36	33.2 Å²	33.2	22%	0.221	18%	0.177	C	C	.	.	H	α-helix	trans	-92.8	-6.3	-178.5	59.6	0	0	0	0	113.9	P198 W250 R251	P198-T255 HydrophobicContact CB-CG2 4.34Å; W250-T255 HydrophobicContact CB-CG2 4.1Å; W250-T255 HydrophobicContact CG-CG2 4.47Å; R251-T255 PolarHBondContact O-N 3.27Å; R251-T255 PolarHBondContact O-OG1 3.44Å
256	G	87.2	Confident	89.9	Confident	34 Å²	34	34.7 Å²	34.7	35%	0.351	19%	0.192	S	C	.	.			trans	76	-177.1	-167.3	0	0	0	0	0	112.7	R252 M258 M343	R252-G256 CarbonylContact O-C 3.57Å; R252-G256 WeakPolarHBondContact O-CA 3.4Å; R252-G256 PolarHBondContact O-N 2.79Å; R252-G256 VanDerWaalsContact O-N 3.15Å; G256-M258 VanDerWaalsContact C-N 3.33Å; G256-M258 PolarHBondContact O-N 3.01Å; G256-M343 VanDerWaalsContact O-SD 3.35Å
257	S	89.5	Confident	90.2	Very high	53 Å²	53	35.8 Å²	35.8	37%	0.371	20%	0.202	S	C	.	.	S	Bend	trans	-81.7	-2.1	-172.6	60.2	0	0	0	0	115.9	E342 M343	S257-E342 WeakPolarHBondContact O-CA 3.1Å; S257-M343 PolarHBondContact O-N 3.27Å
258	M	91.9	Very high	90.5	Very high	95 Å²	95	38.1 Å²	38.1	47%	0.468	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.4	178.2	179	-172.1	-73.2	0	0	109.4	G256 K340 L341	G256-M258 VanDerWaalsContact C-N 3.33Å; G256-M258 PolarHBondContact O-N 3.01Å; M258-K340 HydrophobicContact CE-CB 4.22Å; M258-K340 HydrophobicContact CE-CD 4.23Å; M258-K340 HydrophobicContact CG-CB 4.11Å; M258-K340 HydrophobicContact SD-CB 3.78Å; M258-K340 HydrophobicContact SD-CD 3.85Å; M258-K340 HydrophobicContact SD-CG 3.75Å; M258-L341 CarbonylContact C-O 3.58Å; M258-L341 WeakPolarHBondContact CA-O 3.38Å
259	V	93.4	Very high	90.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.8	166.6	178.4	0	0	0	0	107.9	P198 W250 L261 K340 L341 M343 L348	P198-V259 HydrophobicContact CG-CG1 4.28Å; W250-V259 HydrophobicContact CB-CG2 3.67Å; W250-V259 HydrophobicContact CD2-CG1 3.67Å; W250-V259 HydrophobicContact CD2-CG2 4.02Å; W250-V259 HydrophobicContact CE3-CG1 3.99Å; W250-V259 HydrophobicContact CE3-CG2 4.27Å; W250-V259 HydrophobicContact CG-CG1 4.06Å; W250-V259 HydrophobicContact CG-CG2 3.77Å; W250-V259 HydrophobicContact CH2-CG1 4.47Å; W250-V259 HydrophobicContact CZ2-CG1 4.19Å; W250-V259 HydrophobicContact CZ3-CG1 4.39Å; V259-L261 HydrophobicContact CG1-CD2 3.88Å; V259-L261 HydrophobicContact CG1-CG 4.25Å; V259-K340 CarbonylContact O-C 3.47Å; V259-K340 WeakPolarHBondContact O-CA 3.3Å; V259-L341 PolarHBondContact N-O 2.71Å; V259-L341 PolarHBondContact O-N 2.87Å; V259-M343 HydrophobicContact CG2-CG 4.24Å; V259-M343 HydrophobicContact CG2-SD 4.03Å; V259-L348 HydrophobicContact CB-CD2 4.16Å; V259-L348 HydrophobicContact CG2-CD2 3.99Å
260	E	94.7	Very high	90.7	Very high	42 Å²	42	41.6 Å²	41.6	20%	0.196	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.9	179.8	-174.2	-175.2	99.7	0	0	110.6	P198 R300 L338 K340	P198-E260 WeakPolarHBondContact CD-O 3.34Å; E260-R300 IonicContact OE1-CZ 3.43Å; E260-R300 IonicContact OE1-NH1 3.22Å; E260-R300 PolarHBondContact OE1-NH1 2.77Å; E260-R300 IonicContact OE1-NH2 3.44Å; E260-R300 PolarHBondContact OE1-NH2 3.19Å; E260-L338 HydrophobicContact CG-CD1 3.65Å; E260-L338 HydrophobicContact CG-CD2 4.25Å; E260-L338 HydrophobicContact CG-CG 3.92Å; E260-K340 HydrophobicContact CB-CG 4.45Å; E260-K340 HydrophobicContact CG-CG 3.97Å; E260-K340 WeakPolarHBondContact OE2-CE 3.49Å; E260-K340 IonicContact OE2-NZ 2.88Å; E260-K340 PolarHBondContact OE2-NZ 2.99Å
261	L	95.9	Very high	90.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.8	179.6	-51	176.7	0	0	0	109.6	A196 A197 L230 W250 V259 F263 L338 I339 L341 I350 L353	A196-L261 WeakPolarHBondContact O-CA 3.49Å; A197-L261 HydrophobicContact CB-CD2 3.5Å; L230-L261 HydrophobicContact CD1-CD2 4.4Å; W250-L261 HydrophobicContact CH2-CD1 4.46Å; W250-L261 HydrophobicContact CH2-CD2 4.02Å; W250-L261 HydrophobicContact CZ2-CD2 3.73Å; V259-L261 HydrophobicContact CG1-CD2 3.88Å; V259-L261 HydrophobicContact CG1-CG 4.25Å; L261-F263 HydrophobicContact CB-CD2 4.4Å; L261-F263 HydrophobicContact CB-CE2 3.53Å; L261-F263 HydrophobicContact CB-CZ 4.18Å; L261-F263 HydrophobicContact CD1-CE2 4.37Å; L261-F263 HydrophobicContact CD1-CZ 4.48Å; L261-L338 CarbonylContact O-C 3.26Å; L261-L338 WeakPolarHBondContact O-CA 3.46Å; L261-I339 HydrophobicContact CB-CB 4.49Å; L261-I339 PolarHBondContact N-O 3.28Å; L261-I339 PolarHBondContact O-N 3.29Å; L261-L341 HydrophobicContact CD1-CD1 4.29Å; L261-I350 HydrophobicContact CD1-CD1 4.19Å; L261-L353 HydrophobicContact CD1-CD1 4.45Å; L261-L353 HydrophobicContact CD1-CD2 4.23Å
262	E	97.2	Very high	91	Very high	23 Å²	23	40.3 Å²	40.3	11%	0.107	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.5	176.4	-168.6	179.7	126.8	0	0	110.1	Y195 A196 N264 R300 V337 L338	Y195-E262 CarbonylContact C-O 3.57Å; Y195-E262 WeakPolarHBondContact CA-O 3.36Å; Y195-E262 VanDerWaalsContact CB-O 3.23Å; Y195-E262 WeakPolarHBondContact CB-O 3.39Å; A196-E262 HydrophobicContact CB-CB 4.13Å; A196-E262 PolarHBondContact N-O 2.77Å; A196-E262 PolarHBondContact O-N 3.33Å; E262-N264 PolarHBondContact OE1-ND2 3.13Å; E262-R300 WeakPolarHBondContact OE2-CD 3.47Å; E262-R300 VanDerWaalsContact OE2-CG 3.3Å; E262-R300 WeakPolarHBondContact OE2-CG 3.37Å; E262-R300 IonicContact OE2-CZ 3.26Å; E262-R300 IonicContact OE2-NE 3.63Å; E262-R300 IonicContact OE2-NH1 2.72Å; E262-R300 PolarHBondContact OE2-NH1 2.6Å; E262-V337 CarbonylContact C-O 3.57Å; E262-L338 HydrophobicContact CB-CD1 3.66Å; E262-L338 HydrophobicContact CG-CD1 3.92Å
263	F	97.6	Very high	91.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.2	179.5	-66.7	-93	0	0	0	109.9	L192 Y195 L261 F265 C336 V337 I339 L353 F355	L192-F263 HydrophobicContact CD1-CB 3.91Å; L192-F263 HydrophobicContact CD1-CD1 3.95Å; L192-F263 HydrophobicContact CD1-CG 4.45Å; L192-F263 HydrophobicContact CD2-CD1 4.16Å; Y195-F263 HydrophobicContact CD1-CE1 4.11Å; Y195-F263 HydrophobicContact CG-CD1 4.46Å; Y195-F263 HydrophobicContact CG-CE1 4Å; L261-F263 HydrophobicContact CB-CD2 4.4Å; L261-F263 HydrophobicContact CB-CE2 3.53Å; L261-F263 HydrophobicContact CB-CZ 4.18Å; L261-F263 HydrophobicContact CD1-CE2 4.37Å; L261-F263 HydrophobicContact CD1-CZ 4.48Å; F263-F265 HydrophobicContact CB-CE2 3.77Å; F263-F265 HydrophobicContact CB-CZ 4.12Å; F263-C336 WeakPolarHBondContact O-CA 3.46Å; F263-V337 PolarHBondContact N-O 2.77Å; F263-V337 PolarHBondContact O-N 3.4Å; F263-I339 HydrophobicContact CD2-CD1 4.13Å; F263-I339 HydrophobicContact CD2-CG1 4.45Å; F263-I339 HydrophobicContact CE2-CD1 3.92Å; F263-I339 HydrophobicContact CE2-CG1 4.47Å; F263-L353 HydrophobicContact CE2-CD2 3.9Å; F263-L353 HydrophobicContact CZ-CB 4.46Å; F263-L353 HydrophobicContact CZ-CD1 4.02Å; F263-L353 HydrophobicContact CZ-CD2 3.63Å; F263-L353 HydrophobicContact CZ-CG 4.27Å; F263-F355 HydrophobicContact CB-CE1 4.3Å; F263-F355 HydrophobicContact CB-CZ 3.96Å; F263-F355 HydrophobicContact CD1-CE1 4.49Å; F263-F355 AromaticContact CD1-CE2 3.5Å; F263-F355 HydrophobicContact CD1-CE2 3.5Å; F263-F355 AromaticContact CD1-CZ 3.4Å; F263-F355 HydrophobicContact CD1-CZ 3.4Å; F263-F355 VanDerWaalsContact CD1-CZ 3.4Å; F263-F355 HydrophobicContact CD2-CE1 4.23Å; F263-F355 HydrophobicContact CD2-CE2 4.47Å; F263-F355 AromaticContact CD2-CZ 3.56Å; F263-F355 HydrophobicContact CD2-CZ 3.56Å; F263-F355 AromaticContact CE1-CE2 3.75Å; F263-F355 HydrophobicContact CE1-CE2 3.75Å; F263-F355 AromaticContact CE1-CZ 3.75Å; F263-F355 HydrophobicContact CE1-CZ 3.75Å; F263-F355 AromaticContact CE2-CZ 3.87Å; F263-F355 HydrophobicContact CE2-CZ 3.87Å; F263-F355 HydrophobicContact CG-CE1 4.08Å; F263-F355 AromaticContact CG-CE2 3.93Å; F263-F355 HydrophobicContact CG-CE2 3.93Å; F263-F355 AromaticContact CG-CZ 3.33Å; F263-F355 HydrophobicContact CG-CZ 3.33Å; F263-F355 HydrophobicContact CZ-CE2 4.34Å; F263-F355 AromaticContact CZ-CZ 3.98Å; F263-F355 HydrophobicContact CZ-CZ 3.98Å
264	N	96.8	Very high	91.7	Very high	42 Å²	42	32.9 Å²	32.9	23%	0.225	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.8	-176.1	-77.4	-66	0	0	0	111.2	R193 S194 E262 C336	R193-N264 WeakPolarHBondContact CB-O 3.48Å; R193-N264 PolarHBondContact N-O 3.19Å; S194-N264 PolarHBondContact O-N 2.74Å; E262-N264 PolarHBondContact OE1-ND2 3.13Å; N264-C336 PolarHBondContact OD1-SG 3.04Å
265	F	95	Very high	92.2	Very high	7 Å²	7	30 Å²	30	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.9	-174.2	-63.3	-86.8	0	0	0	111.4	P191 L192 F263 S267 F271 R335 V337 F355	P191-F265 HydrophobicContact CB-CB 4.39Å; P191-F265 HydrophobicContact CB-CD1 3.88Å; P191-F265 HydrophobicContact CG-CD1 3.64Å; P191-F265 HydrophobicContact CG-CE1 4.12Å; P191-F265 CarbonylContact O-C 3.4Å; P191-F265 WeakPolarHBondContact O-CA 3.39Å; L192-F265 HydrophobicContact CB-CD1 4.25Å; L192-F265 HydrophobicContact CB-CE1 4.07Å; L192-F265 HydrophobicContact CD1-CD1 4.02Å; L192-F265 HydrophobicContact CD1-CE1 3.65Å; L192-F265 HydrophobicContact CD1-CE2 4.18Å; L192-F265 HydrophobicContact CD1-CG 4.47Å; L192-F265 HydrophobicContact CD1-CZ 3.73Å; L192-F265 HydrophobicContact CG-CE1 4.45Å; F263-F265 HydrophobicContact CB-CE2 3.77Å; F263-F265 HydrophobicContact CB-CZ 4.12Å; F265-S267 VanDerWaalsContact C-N 3.3Å; F265-S267 PolarHBondContact O-N 3.26Å; F265-F271 HydrophobicContact CD2-CE1 4.49Å; F265-F271 AromaticContact CD2-CZ 3.79Å; F265-F271 HydrophobicContact CD2-CZ 3.79Å; F265-F271 HydrophobicContact CE1-CE1 4.2Å; F265-F271 HydrophobicContact CE1-CZ 4.32Å; F265-F271 AromaticContact CE2-CE1 3.88Å; F265-F271 HydrophobicContact CE2-CE1 3.88Å; F265-F271 AromaticContact CE2-CZ 3.56Å; F265-F271 HydrophobicContact CE2-CZ 3.56Å; F265-F271 HydrophobicContact CG-CZ 4.29Å; F265-F271 AromaticContact CZ-CE1 3.7Å; F265-F271 HydrophobicContact CZ-CE1 3.7Å; F265-F271 AromaticContact CZ-CZ 3.84Å; F265-F271 HydrophobicContact CZ-CZ 3.84Å; F265-R335 HydrophobicContact CB-CG 4.46Å; F265-R335 WeakPolarHBondContact CB-O 3.43Å; F265-R335 WeakPolarHBondContact CD2-O 3.3Å; F265-R335 PolarHBondContact N-O 2.71Å; F265-R335 WeakPolarHBondContact O-CG 3.48Å; F265-V337 HydrophobicContact CD2-CG2 4.5Å; F265-V337 HydrophobicContact CE2-CB 4.31Å; F265-V337 HydrophobicContact CE2-CG2 3.92Å; F265-F355 HydrophobicContact CE1-CB 4.34Å; F265-F355 HydrophobicContact CE1-CG 4.25Å; F265-F355 HydrophobicContact CE2-CD1 4.42Å; F265-F355 HydrophobicContact CZ-CB 4.18Å; F265-F355 AromaticContact CZ-CD1 3.68Å; F265-F355 HydrophobicContact CZ-CD1 3.68Å; F265-F355 HydrophobicContact CZ-CD2 4.06Å; F265-F355 HydrophobicContact CZ-CE1 4.09Å; F265-F355 HydrophobicContact CZ-CE2 4.44Å; F265-F355 AromaticContact CZ-CG 3.7Å; F265-F355 HydrophobicContact CZ-CG 3.7Å; F265-F355 HydrophobicContact CZ-CZ 4.47Å
266	A	90.9	Very high	92.6	Very high	43 Å²	43	28.3 Å²	28.3	36%	0.355	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-31	179.6	0	0	0	0	0	113.1	P191 R193	P191-A266 WeakPolarHBondContact O-CB 3.31Å; P191-A266 PolarHBondContact O-N 3.35Å; R193-A266 HydrophobicContact CG-CB 4.02Å
267	S	90.2	Very high	92.7	Very high	49 Å²	49	27 Å²	27	34%	0.343	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	166.3	-177.8	76.7	0	0	0	0	111.6	F265	F265-S267 VanDerWaalsContact C-N 3.3Å; F265-S267 PolarHBondContact O-N 3.26Å
268	F	92	Very high	92.6	Very high	51 Å²	51	24.6 Å²	24.6	22%	0.224	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	140.2	164.9	-77.2	-78.7	0	0	0	111.2	T298 V333 A334 R335 A360 M362	F268-T298 HydrophobicContact CE1-CG2 3.8Å; F268-T298 HydrophobicContact CZ-CG2 3.68Å; F268-V333 HydrophobicContact CB-CG1 4.49Å; F268-V333 HydrophobicContact CD1-CG1 4.22Å; F268-A334 WeakPolarHBondContact CA-O 3.37Å; F268-R335 HydrophobicContact CD1-CB 4.1Å; F268-R335 HydrophobicContact CE1-CB 4.12Å; F268-A360 HydrophobicContact CB-CB 4.32Å; F268-A360 VanDerWaalsContact CB-O 3.31Å; F268-A360 WeakPolarHBondContact CB-O 3.41Å; F268-A360 PolarHBondContact O-N 2.94Å; F268-M362 HydrophobicContact CD1-CB 4.36Å; F268-M362 HydrophobicContact CD2-CB 4.3Å; F268-M362 HydrophobicContact CE1-CB 4.26Å; F268-M362 HydrophobicContact CE1-SD 3.75Å; F268-M362 HydrophobicContact CE2-CB 4.2Å; F268-M362 HydrophobicContact CG-CB 4.37Å; F268-M362 HydrophobicContact CZ-CB 4.18Å; F268-M362 HydrophobicContact CZ-SD 3.68Å
269	R	91	Very high	92	Very high	39 Å²	39	20 Å²	20	15%	0.147	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.2	-171.8	-76.2	-85.4	156.7	162.9	0	108.5	P191 F271 V333 A334 S357 T358	P191-R269 HydrophobicContact CB-CG 4.28Å; P191-R269 VanDerWaalsContact CD-CZ 3.48Å; P191-R269 HydrophobicContact CG-CG 4.27Å; P191-R269 VanDerWaalsContact CG-NE 3.34Å; R269-F271 HydrophobicContact CB-CD2 4.2Å; R269-F271 HydrophobicContact CB-CE1 4.27Å; R269-F271 HydrophobicContact CB-CE2 3.5Å; R269-F271 VanDerWaalsContact CB-CE2 3.5Å; R269-F271 HydrophobicContact CB-CZ 3.54Å; R269-F271 HydrophobicContact CG-CZ 4.35Å; R269-F271 WeakPolarHBondContact O-CD2 3.46Å; R269-F271 WeakPolarHBondContact O-CE2 3.31Å; R269-V333 CarbonylContact O-C 3.51Å; R269-V333 VanDerWaalsContact O-CA 3.27Å; R269-V333 WeakPolarHBondContact O-CA 3.43Å; R269-A334 PolarHBondContact N-O 3.01Å; R269-A334 PolarHBondContact O-N 3.09Å; R269-S357 VanDerWaalsContact CD-OG 3.24Å; R269-S357 WeakPolarHBondContact CD-OG 3.3Å; R269-S357 PolarHBondContact NH1-O 2.94Å; R269-S357 PolarHBondContact NH1-OG 3.43Å; R269-T358 CarbonylContact C-O 3.56Å; R269-T358 WeakPolarHBondContact CA-O 3.41Å
270	N	90.9	Very high	91.1	Very high	39 Å²	39	22.4 Å²	22.4	21%	0.209	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.9	168.8	176.8	5.9	0	0	0	107.3	H331 V333 S357 T358 A360	N270-H331 WeakPolarHBondContact OD1-CA 3.5Å; N270-H331 VanDerWaalsContact OD1-CB 3.3Å; N270-H331 WeakPolarHBondContact OD1-CB 3.33Å; N270-H331 PolarHBondContact OD1-O 2.84Å; N270-V333 HydrophobicContact CB-CG2 4.01Å; N270-S357 CarbonylContact O-C 3.55Å; N270-S357 WeakPolarHBondContact O-CA 3.46Å; N270-S357 WeakPolarHBondContact O-CB 3.35Å; N270-T358 PolarHBondContact N-O 3.03Å; N270-T358 PolarHBondContact O-N 3.41Å; N270-A360 HydrophobicContact CB-CB 4.07Å
271	F	91.1	Very high	89.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.5	-175.9	-63.4	-92	0	0	0	110.5	F265 R269 F296 T329 H331 R332 A334 V337 F355	F265-F271 HydrophobicContact CD2-CE1 4.49Å; F265-F271 AromaticContact CD2-CZ 3.79Å; F265-F271 HydrophobicContact CD2-CZ 3.79Å; F265-F271 HydrophobicContact CE1-CE1 4.2Å; F265-F271 HydrophobicContact CE1-CZ 4.32Å; F265-F271 AromaticContact CE2-CE1 3.88Å; F265-F271 HydrophobicContact CE2-CE1 3.88Å; F265-F271 AromaticContact CE2-CZ 3.56Å; F265-F271 HydrophobicContact CE2-CZ 3.56Å; F265-F271 HydrophobicContact CG-CZ 4.29Å; F265-F271 AromaticContact CZ-CE1 3.7Å; F265-F271 HydrophobicContact CZ-CE1 3.7Å; F265-F271 AromaticContact CZ-CZ 3.84Å; F265-F271 HydrophobicContact CZ-CZ 3.84Å; R269-F271 HydrophobicContact CB-CD2 4.2Å; R269-F271 HydrophobicContact CB-CE1 4.27Å; R269-F271 HydrophobicContact CB-CE2 3.5Å; R269-F271 VanDerWaalsContact CB-CE2 3.5Å; R269-F271 HydrophobicContact CB-CZ 3.54Å; R269-F271 HydrophobicContact CG-CZ 4.35Å; R269-F271 WeakPolarHBondContact O-CD2 3.46Å; R269-F271 WeakPolarHBondContact O-CE2 3.31Å; F271-F296 HydrophobicContact CB-CE1 4.3Å; F271-F296 HydrophobicContact CD2-CD1 4.25Å; F271-F296 HydrophobicContact CD2-CE1 4.21Å; F271-F296 HydrophobicContact CG-CE1 4.3Å; F271-T329 HydrophobicContact CB-CG2 4.4Å; F271-T329 VanDerWaalsContact CB-OG1 3.26Å; F271-T329 WeakPolarHBondContact CB-OG1 3.41Å; F271-T329 PolarHBondContact O-OG1 3.26Å; F271-H331 WeakPolarHBondContact O-CA 3.28Å; F271-H331 PolarHBondContact O-N 3.38Å; F271-R332 WeakPolarHBondContact CD2-O 3.41Å; F271-R332 PolarHBondContact N-O 3.42Å; F271-A334 HydrophobicContact CD2-CB 4.41Å; F271-A334 HydrophobicContact CE2-CB 3.93Å; F271-V337 HydrophobicContact CD2-CG2 4.28Å; F271-V337 HydrophobicContact CE1-CG2 4.12Å; F271-V337 HydrophobicContact CE2-CG2 3.71Å; F271-V337 HydrophobicContact CZ-CG2 3.62Å; F271-F355 HydrophobicContact CD1-CB 4.34Å; F271-F355 HydrophobicContact CD1-CD1 4.21Å; F271-F355 HydrophobicContact CE1-CB 4.08Å; F271-F355 AromaticContact CE1-CD1 3.88Å; F271-F355 HydrophobicContact CE1-CD1 3.88Å; F271-F355 HydrophobicContact CE1-CG 4.36Å
272	T	89.8	Confident	87.8	Confident	50 Å²	50	26.5 Å²	26.5	31%	0.307	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-50.9	172.7	-59.5	0	0	0	0	109.9	T329 E356	T272-T329 PolarHBondContact N-OG1 3.28Å; T272-T329 PolarHBondContact O-N 2.87Å; T272-T329 PolarHBondContact O-OG1 3.25Å; T272-T329 VanDerWaalsContact O-OG1 3.07Å; T272-E356 PolarHBondContact N-O 3.36Å
273	S	91.9	Very high	85.7	Confident	15 Å²	15	30.3 Å²	30.3	11%	0.105	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.4	179.7	77	0	0	0	0	111.4	I327 T329 E356	S273-I327 WeakPolarHBondContact CA-O 3.41Å; S273-T329 PolarHBondContact N-OG1 3.39Å; S273-E356 WeakPolarHBondContact CB-OE2 3.49Å; S273-E356 PolarHBondContact N-O 2.68Å; S273-E356 PolarHBondContact O-N 3.38Å; S273-E356 VanDerWaalsContact OG-CB 3.29Å; S273-E356 WeakPolarHBondContact OG-CB 3.42Å; S273-E356 PolarHBondContact OG-OE2 2.65Å
274	I	93.9	Very high	83.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.3	168	-69.5	172.4	0	0	0	107.1	L276 L294 F296 I327 T329 V337 I339 K354 F355	I274-L276 HydrophobicContact CG2-CD1 4.18Å; I274-L294 HydrophobicContact CD1-CD2 3.96Å; I274-F296 HydrophobicContact CD1-CE1 4.31Å; I274-F296 HydrophobicContact CD1-CZ 4.32Å; I274-I327 PolarHBondContact N-O 3.07Å; I274-I327 PolarHBondContact O-N 2.81Å; I274-T329 HydrophobicContact CB-CG2 4.19Å; I274-T329 HydrophobicContact CD1-CG2 3.74Å; I274-T329 HydrophobicContact CG1-CG2 3.72Å; I274-V337 HydrophobicContact CD1-CG1 3.85Å; I274-I339 HydrophobicContact CG2-CD1 3.94Å; I274-K354 WeakPolarHBondContact CA-O 3.39Å; I274-F355 HydrophobicContact CD1-CD1 3.73Å; I274-F355 HydrophobicContact CD1-CE1 3.72Å; I274-F355 HydrophobicContact CG1-CD1 3.61Å; I274-F355 HydrophobicContact CG1-CE1 3.95Å; I274-F355 HydrophobicContact CG2-CD1 4.34Å; I274-F355 HydrophobicContact CG2-CE1 4.05Å
275	A	91.9	Very high	81.6	Confident	11 Å²	11	38.5 Å²	38.5	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.6	-178.4	0	0	0	0	0	110.2	W324 V325 I326 L353 K354	A275-W324 HydrophobicContact CB-CE3 3.68Å; A275-W324 HydrophobicContact CB-CZ3 3.97Å; A275-V325 WeakPolarHBondContact CA-O 3.28Å; A275-I326 HydrophobicContact CB-CG1 4.02Å; A275-L353 CarbonylContact O-C 3.49Å; A275-L353 WeakPolarHBondContact O-CA 3.47Å; A275-K354 HydrophobicContact CB-CB 4.41Å; A275-K354 PolarHBondContact N-O 2.96Å; A275-K354 PolarHBondContact O-N 3Å
276	L	92.5	Very high	79.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.8	176.8	-57.5	92.2	0	0	0	108.9	I274 V278 F289 W324 V325 I327 L341 I350 L353	I274-L276 HydrophobicContact CG2-CD1 4.18Å; L276-V278 HydrophobicContact CB-CG1 4.15Å; L276-F289 HydrophobicContact CD2-CE1 4.46Å; L276-W324 WeakPolarHBondContact O-CA 3.31Å; L276-V325 PolarHBondContact N-O 2.67Å; L276-V325 PolarHBondContact O-N 2.78Å; L276-I327 HydrophobicContact CD1-CD1 3.71Å; L276-I327 HydrophobicContact CD1-CG1 4.2Å; L276-L341 HydrophobicContact CD2-CD1 3.87Å; L276-L341 HydrophobicContact CD2-CD2 4.4Å; L276-I350 HydrophobicContact CD2-CD1 4.12Å; L276-L353 HydrophobicContact CD2-CD2 3.62Å; L276-L353 HydrophobicContact CD2-CG 4.19Å; L276-L353 HydrophobicContact CG-CD2 3.81Å; L276-L353 HydrophobicContact CG-CG 4.1Å
277	H	89	Confident	78.5	Confident	7 Å²	7	36.3 Å²	36.3	3%	0.032	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	110.8	172.1	-169.5	-104.9	0	0	0	110.2	V235 G236 W247 R323 W324 I350 S351 E352	V235-H277 WeakPolarHBondContact CG1-CE1 2.95Å; V235-H277 WeakPolarHBondContact CG1-ND1 3.15Å; G236-H277 PolarHBondContact O-CE1 2.75Å; G236-H277 VanDerWaalsContact O-CE1 3.26Å; W247-H277 AromaticContact CH2-CE1 3.71Å; W247-H277 AromaticContact CH2-ND1 3.61Å; H277-R323 WeakPolarHBondContact CA-O 3.46Å; H277-R323 PolarHBondContact CD2-O 3.22Å; H277-W324 HydrophobicContact CB-CD2 4.01Å; H277-W324 HydrophobicContact CB-CE3 3.98Å; H277-W324 HydrophobicContact CB-CH2 3.98Å; H277-W324 HydrophobicContact CB-CZ2 3.96Å; H277-W324 HydrophobicContact CB-CZ3 3.97Å; H277-W324 AromaticContact CD2-CD1 3.72Å; H277-W324 AromaticContact CD2-CE2 3.78Å; H277-W324 AromaticContact CD2-NE1 3.54Å; H277-I350 VanDerWaalsContact O-CA 3.32Å; H277-I350 WeakPolarHBondContact O-CA 3.35Å; H277-S351 PolarHBondContact ND1-OG 2.83Å; H277-S351 PolarHBondContact O-N 2.93Å; H277-E352 HydrophobicContact CB-CB 4Å; H277-E352 PolarHBondContact N-O 3.32Å
278	V	87.4	Confident	77.5	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	154	-173.3	-54.5	0	0	0	0	111.2	L276 A288 F289 T322 R323 V325 L349 I350	L276-V278 HydrophobicContact CB-CG1 4.15Å; V278-A288 HydrophobicContact CB-CB 4.45Å; V278-A288 HydrophobicContact CG2-CB 3.98Å; V278-F289 HydrophobicContact CG1-CD1 4.48Å; V278-F289 HydrophobicContact CG1-CE1 4.17Å; V278-T322 WeakPolarHBondContact O-CA 3.45Å; V278-R323 HydrophobicContact CG2-CG 3.69Å; V278-R323 PolarHBondContact N-O 2.75Å; V278-R323 PolarHBondContact O-N 3.33Å; V278-V325 HydrophobicContact CG2-CG2 3.71Å; V278-L349 WeakPolarHBondContact CA-O 2.96Å; V278-I350 HydrophobicContact CG1-CG1 4.33Å
279	G	78.3	Confident	77.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.4	176	0	0	0	0	0	113.1	F281 L349	G279-F281 VanDerWaalsContact CA-CE2 3.47Å; G279-L349 PolarHBondContact N-O 3.06Å
280	Y	74.6	Confident	76.9	Confident	49 Å²	49	32.4 Å²	32.4	19%	0.192	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.7	172.7	-175.5	-79.8	0	0	0	110.6	E282 G287 L318 G321	Y280-E282 HydrophobicContact CE1-CB 3.97Å; Y280-E282 HydrophobicContact CE1-CG 4.24Å; Y280-G287 VanDerWaalsContact CD2-CA 3.42Å; Y280-L318 HydrophobicContact CD2-CD2 4.48Å; Y280-L318 HydrophobicContact CE2-CD2 4.43Å; Y280-G321 PolarHBondContact N-O 3Å; Y280-G321 PolarHBondContact O-N 3.37Å
281	F	67.7	Low	76.9	Confident	30 Å²	30	32.3 Å²	32.3	13%	0.132	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-132.4	89.7	-174.2	-51.8	-74.5	0	0	0	110.7	F240 G279 A283 K284 M286 T322 L349	F240-F281 HydrophobicContact CD1-CD1 4.25Å; F240-F281 AromaticContact CD1-CD2 3.89Å; F240-F281 HydrophobicContact CD1-CD2 3.89Å; F240-F281 HydrophobicContact CD1-CE1 4.31Å; F240-F281 AromaticContact CD1-CE2 3.95Å; F240-F281 HydrophobicContact CD1-CE2 3.95Å; F240-F281 HydrophobicContact CD1-CG 4.05Å; F240-F281 HydrophobicContact CD1-CZ 4.17Å; F240-F281 HydrophobicContact CD2-CD1 4.28Å; F240-F281 AromaticContact CD2-CE1 3.6Å; F240-F281 HydrophobicContact CD2-CE1 3.6Å; F240-F281 AromaticContact CD2-CE2 3.94Å; F240-F281 HydrophobicContact CD2-CE2 3.94Å; F240-F281 AromaticContact CD2-CZ 3.41Å; F240-F281 HydrophobicContact CD2-CZ 3.41Å; F240-F281 VanDerWaalsContact CD2-CZ 3.41Å; F240-F281 AromaticContact CE1-CD2 3.51Å; F240-F281 HydrophobicContact CE1-CD2 3.51Å; F240-F281 HydrophobicContact CE1-CE1 4.49Å; F240-F281 AromaticContact CE1-CE2 3.37Å; F240-F281 HydrophobicContact CE1-CE2 3.37Å; F240-F281 HydrophobicContact CE1-CG 4.15Å; F240-F281 AromaticContact CE1-CZ 3.91Å; F240-F281 HydrophobicContact CE1-CZ 3.91Å; F240-F281 HydrophobicContact CE2-CD2 4.26Å; F240-F281 AromaticContact CE2-CE1 3.82Å; F240-F281 HydrophobicContact CE2-CE1 3.82Å; F240-F281 AromaticContact CE2-CE2 3.36Å; F240-F281 HydrophobicContact CE2-CE2 3.36Å; F240-F281 AromaticContact CE2-CZ 3.09Å; F240-F281 HydrophobicContact CE2-CZ 3.09Å; F240-F281 HydrophobicContact CG-CD1 4.11Å; F240-F281 HydrophobicContact CG-CD2 4.43Å; F240-F281 AromaticContact CG-CE1 3.89Å; F240-F281 HydrophobicContact CG-CE1 3.89Å; F240-F281 HydrophobicContact CG-CE2 4.22Å; F240-F281 HydrophobicContact CG-CG 4.38Å; F240-F281 AromaticContact CG-CZ 3.96Å; F240-F281 HydrophobicContact CG-CZ 3.96Å; F240-F281 AromaticContact CZ-CD2 3.75Å; F240-F281 HydrophobicContact CZ-CD2 3.75Å; F240-F281 HydrophobicContact CZ-CE1 4.28Å; F240-F281 AromaticContact CZ-CE2 3.05Å; F240-F281 HydrophobicContact CZ-CE2 3.05Å; F240-F281 AromaticContact CZ-CZ 3.4Å; F240-F281 HydrophobicContact CZ-CZ 3.4Å; G279-F281 VanDerWaalsContact CA-CE2 3.47Å; F281-A283 PolarHBondContact O-N 3.46Å; F281-A283 VanDerWaalsContact O-N 3.1Å; F281-K284 PolarHBondContact O-N 3.03Å; F281-K284 VanDerWaalsContact O-N 3.09Å; F281-M286 HydrophobicContact CB-CB 4.25Å; F281-M286 HydrophobicContact CB-SD 4.17Å; F281-M286 HydrophobicContact CD2-CB 4.38Å; F281-M286 HydrophobicContact CD2-SD 4.09Å; F281-M286 PolarHBondContact N-O 3.19Å; F281-M286 PolarHBondContact O-N 3.34Å; F281-T322 HydrophobicContact CE1-CG2 4.47Å; F281-T322 HydrophobicContact CZ-CG2 3.75Å; F281-L349 HydrophobicContact CD2-CD1 4.34Å; F281-L349 HydrophobicContact CE2-CD1 4.36Å
282	E	53.3	Low	77	Confident	100 Å²	100	32.3 Å²	32.3	47%	0.467	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-52.6	-34.6	-175.8	-153.2	-178.5	116.2	0	0	113.3	Y280 K284 R320	Y280-E282 HydrophobicContact CE1-CB 3.97Å; Y280-E282 HydrophobicContact CE1-CG 4.24Å; E282-K284 PolarHBondContact O-N 3.13Å; E282-R320 HydrophobicContact CB-CG 4.34Å; E282-R320 IonicContact OE1-CZ 3.51Å; E282-R320 IonicContact OE1-NE 3.45Å; E282-R320 IonicContact OE1-NH2 3.89Å; E282-R320 PolarHBondContact OE1-NH2 3.43Å; E282-R320 IonicContact OE2-CZ 2.72Å; E282-R320 IonicContact OE2-NE 2.63Å; E282-R320 PolarHBondContact OE2-NE 3.41Å; E282-R320 IonicContact OE2-NH2 3.97Å; E282-R320 PolarHBondContact OE2-NH2 2.88Å; E282-R320 VanDerWaalsContact OE2-NH2 3.15Å
283	A	54.8	Low	77.4	Confident	102 Å²	102	30.6 Å²	30.6	84%	0.843	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-63.3	-9.2	-179.7	0	0	0	0	0	115.2	F281	F281-A283 PolarHBondContact O-N 3.46Å; F281-A283 VanDerWaalsContact O-N 3.1Å
284	K	53.4	Low	77.6	Confident	83 Å²	83	29.9 Å²	29.9	36%	0.361	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-141	21.5	-178	-67.8	-175.1	170.9	-178.9	0	114.8	F281 E282 M286	F281-K284 PolarHBondContact O-N 3.03Å; F281-K284 VanDerWaalsContact O-N 3.09Å; E282-K284 PolarHBondContact O-N 3.13Å; K284-M286 HydrophobicContact CB-CE 3.65Å; K284-M286 HydrophobicContact CB-CG 4.06Å; K284-M286 HydrophobicContact CB-SD 4.15Å; K284-M286 HydrophobicContact CD-CE 3.53Å; K284-M286 HydrophobicContact CG-CE 4.24Å; K284-M286 PolarHBondContact O-N 3.47Å
285	M	53.8	Low	77.8	Confident	132 Å²	132	30.5 Å²	30.5	65%	0.65	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	36.8	-178.1	-66.2	-92.2	-73.1	0	0	113.2	T345 E346 W347	M285-T345 WeakPolarHBondContact O-CB 3.29Å; M285-E346 HydrophobicContact CB-CB 4.42Å; M285-E346 PolarHBondContact O-N 2.76Å; M285-W347 PolarHBondContact O-N 3.09Å
286	M	60.1	Low	78	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.015	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-107.5	137.5	176.8	-55.8	172.4	-179.5	0	0	110.5	W208 F240 F281 K284 W347 L349	W208-M286 HydrophobicContact CH2-CE 3.21Å; W208-M286 HydrophobicContact CZ2-CE 3.37Å; W208-M286 HydrophobicContact CZ3-CE 4.28Å; F240-M286 HydrophobicContact CE1-SD 4.36Å; F281-M286 HydrophobicContact CB-CB 4.25Å; F281-M286 HydrophobicContact CB-SD 4.17Å; F281-M286 HydrophobicContact CD2-CB 4.38Å; F281-M286 HydrophobicContact CD2-SD 4.09Å; F281-M286 PolarHBondContact N-O 3.19Å; F281-M286 PolarHBondContact O-N 3.34Å; K284-M286 HydrophobicContact CB-CE 3.65Å; K284-M286 HydrophobicContact CB-CG 4.06Å; K284-M286 HydrophobicContact CB-SD 4.15Å; K284-M286 HydrophobicContact CD-CE 3.53Å; K284-M286 HydrophobicContact CG-CE 4.24Å; K284-M286 PolarHBondContact O-N 3.47Å; M286-W347 HydrophobicContact CB-CB 4.27Å; M286-W347 HydrophobicContact CG-CB 3.91Å; M286-W347 HydrophobicContact CG-CG 4.38Å; M286-L349 HydrophobicContact SD-CD1 3.69Å
287	G	60.3	Low	78.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.			trans	-164	171.6	-174.5	0	0	0	0	0	114	Y280 T345 W347	Y280-G287 VanDerWaalsContact CD2-CA 3.42Å; G287-T345 VanDerWaalsContact CA-OG1 3.23Å; G287-T345 WeakPolarHBondContact CA-OG1 3.06Å; G287-T345 PolarHBondContact N-OG1 3.31Å; G287-T345 PolarHBondContact O-OG1 2.89Å; G287-W347 PolarHBondContact N-O 3.03Å; G287-W347 VanDerWaalsContact N-O 3.13Å
288	A	70.2	Confident	78.3	Confident	7 Å²	7	31.6 Å²	31.6	6%	0.058	18%	0.178	C	C	.	.			trans	-71.1	178.9	176.8	0	0	0	0	0	112	V278 A344	V278-A288 HydrophobicContact CB-CB 4.45Å; V278-A288 HydrophobicContact CG2-CB 3.98Å; A288-A344 WeakPolarHBondContact O-CB 3.4Å; A288-A344 PolarHBondContact O-N 3.37Å
289	F	84	Confident	78.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.6	173.7	54.6	-92.9	0	0	0	112	L276 V278 A292 F311 P313 V325 I327 L341 E342 L348	L276-F289 HydrophobicContact CD2-CE1 4.46Å; V278-F289 HydrophobicContact CG1-CD1 4.48Å; V278-F289 HydrophobicContact CG1-CE1 4.17Å; F289-A292 HydrophobicContact CD2-CB 3.96Å; F289-A292 HydrophobicContact CE2-CB 3.69Å; F289-A292 HydrophobicContact CZ-CB 4.39Å; F289-F311 HydrophobicContact CE2-CD1 4.15Å; F289-F311 HydrophobicContact CE2-CE1 4.25Å; F289-P313 HydrophobicContact CD2-CG 4.21Å; F289-P313 HydrophobicContact CE2-CG 4.09Å; F289-P313 VanDerWaalsContact O-CG 3.31Å; F289-P313 WeakPolarHBondContact O-CG 3.11Å; F289-V325 HydrophobicContact CE1-CG1 4.46Å; F289-V325 HydrophobicContact CE2-CG1 4.45Å; F289-V325 HydrophobicContact CZ-CB 4.2Å; F289-V325 HydrophobicContact CZ-CG1 3.7Å; F289-I327 HydrophobicContact CZ-CD1 4.22Å; F289-L341 HydrophobicContact CB-CB 4.06Å; F289-L341 HydrophobicContact CB-CD2 4.4Å; F289-L341 HydrophobicContact CD1-CD1 4.25Å; F289-L341 HydrophobicContact CD1-CD2 3.86Å; F289-L341 HydrophobicContact CD1-CG 4.49Å; F289-L341 HydrophobicContact CD2-CD2 4.19Å; F289-L341 HydrophobicContact CE1-CD2 4.11Å; F289-L341 HydrophobicContact CE2-CD2 4.42Å; F289-L341 HydrophobicContact CG-CB 4.45Å; F289-L341 HydrophobicContact CG-CD2 3.9Å; F289-L341 HydrophobicContact CZ-CD2 4.37Å; F289-E342 CarbonylContact C-O 3.51Å; F289-E342 WeakPolarHBondContact CA-O 3.46Å; F289-E342 WeakPolarHBondContact CB-O 3.17Å; F289-L348 HydrophobicContact CB-CD1 4.43Å; F289-L348 HydrophobicContact CD1-CD1 4.48Å
290	S	86.4	Confident	79.4	Confident	51 Å²	51	37.3 Å²	37.3	36%	0.357	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-32.4	174.2	49.9	0	0	0	0	112.4	E342	S290-E342 PolarHBondContact N-O 3.42Å; S290-E342 WeakPolarHBondContact OG-CG 3.26Å; S290-E342 PolarHBondContact OG-O 2.79Å; S290-E342 PolarHBondContact OG-OE2 2.99Å
291	S	90.9	Very high	80.3	Confident	36 Å²	36	40.4 Å²	40.4	25%	0.252	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.9	177.2	71.2	0	0	0	0	111	E342	S291-E342 PolarHBondContact O-N 3.33Å; S291-E342 VanDerWaalsContact OG-CB 3.22Å; S291-E342 WeakPolarHBondContact OG-CB 3.32Å; S291-E342 PolarHBondContact OG-OE2 3.5Å
292	A	94	Very high	81.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.4	175.5	0	0	0	0	0	110.4	F289 L294 F311 I327 K340 L341	F289-A292 HydrophobicContact CD2-CB 3.96Å; F289-A292 HydrophobicContact CE2-CB 3.69Å; F289-A292 HydrophobicContact CZ-CB 4.39Å; A292-L294 HydrophobicContact CB-CD1 3.83Å; A292-F311 HydrophobicContact CB-CB 4.44Å; A292-F311 HydrophobicContact CB-CD1 4.42Å; A292-F311 PolarHBondContact N-O 2.75Å; A292-F311 PolarHBondContact O-N 2.88Å; A292-I327 HydrophobicContact CB-CD1 3.96Å; A292-K340 CarbonylContact C-O 3.57Å; A292-K340 WeakPolarHBondContact CA-O 3.14Å; A292-L341 HydrophobicContact CB-CD2 3.64Å
293	S	96.1	Very high	83.5	Confident	14 Å²	14	35.9 Å²	35.9	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.8	176.2	-180	0	0	0	0	109.5	H295 P308 Q310 K340	S293-H295 PolarHBondContact OG-NE2 3.26Å; S293-P308 VanDerWaalsContact OG-CB 3.28Å; S293-P308 WeakPolarHBondContact OG-CB 3.06Å; S293-Q310 VanDerWaalsContact CB-OE1 3.3Å; S293-Q310 PolarHBondContact OG-NE2 3.44Å; S293-K340 PolarHBondContact N-O 3.08Å; S293-K340 PolarHBondContact O-N 3.45Å
294	L	97.1	Very high	85.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.4	-175.6	-69.2	74.5	0	0	0	110.8	I274 A292 F296 P308 L309 I327 T329 L338 I339	I274-L294 HydrophobicContact CD1-CD2 3.96Å; A292-L294 HydrophobicContact CB-CD1 3.83Å; L294-F296 HydrophobicContact CB-CD2 4.41Å; L294-F296 HydrophobicContact CB-CE2 3.51Å; L294-F296 HydrophobicContact CB-CZ 3.97Å; L294-F296 HydrophobicContact CD2-CE2 4.43Å; L294-F296 HydrophobicContact CD2-CZ 4.09Å; L294-P308 CarbonylContact O-C 3.6Å; L294-P308 WeakPolarHBondContact O-CA 3.17Å; L294-L309 HydrophobicContact CB-CB 4.36Å; L294-L309 PolarHBondContact N-O 3.42Å; L294-L309 PolarHBondContact O-N 2.86Å; L294-I327 HydrophobicContact CD1-CD1 4Å; L294-I327 HydrophobicContact CD1-CG2 4.09Å; L294-I327 HydrophobicContact CD2-CB 4.45Å; L294-I327 HydrophobicContact CD2-CD1 4.47Å; L294-I327 HydrophobicContact CD2-CG2 3.87Å; L294-T329 HydrophobicContact CD2-CG2 4.19Å; L294-L338 CarbonylContact C-O 3.6Å; L294-L338 WeakPolarHBondContact CA-O 3.31Å; L294-I339 HydrophobicContact CG-CG1 4.44Å; L294-I339 HydrophobicContact CG-CG2 4.34Å
295	H	97.8	Very high	87.1	Confident	14 Å²	14	38.4 Å²	38.4	7%	0.065	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.8	177.1	-57.5	-111.4	0	0	0	110.7	S293 A303 V337 L338	S293-H295 PolarHBondContact OG-NE2 3.26Å; H295-A303 HydrophobicContact CB-CB 3.99Å; H295-A303 WeakPolarHBondContact CB-O 3.34Å; H295-A303 PolarHBondContact ND1-O 2.65Å; H295-V337 WeakPolarHBondContact O-CA 3.44Å; H295-L338 HydrophobicContact CB-CB 4.16Å; H295-L338 PolarHBondContact N-O 3.01Å; H295-L338 PolarHBondContact O-N 3.16Å
296	F	96.7	Very high	88.8	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	108.9	-166.1	-70.1	-92.1	0	0	0	110.5	F271 I274 L294 R306 L309 T329 R332 A334 V337	F271-F296 HydrophobicContact CB-CE1 4.3Å; F271-F296 HydrophobicContact CD2-CD1 4.25Å; F271-F296 HydrophobicContact CD2-CE1 4.21Å; F271-F296 HydrophobicContact CG-CE1 4.3Å; I274-F296 HydrophobicContact CD1-CE1 4.31Å; I274-F296 HydrophobicContact CD1-CZ 4.32Å; L294-F296 HydrophobicContact CB-CD2 4.41Å; L294-F296 HydrophobicContact CB-CE2 3.51Å; L294-F296 HydrophobicContact CB-CZ 3.97Å; L294-F296 HydrophobicContact CD2-CE2 4.43Å; L294-F296 HydrophobicContact CD2-CZ 4.09Å; F296-R306 WeakPolarHBondContact O-CD 3.3Å; F296-R306 PolarHBondContact O-NH1 2.83Å; F296-L309 HydrophobicContact CE2-CB 4.2Å; F296-T329 HydrophobicContact CE1-CG2 4.12Å; F296-T329 HydrophobicContact CZ-CG2 3.61Å; F296-R332 HydrophobicContact CB-CB 4.32Å; F296-R332 HydrophobicContact CD1-CB 3.83Å; F296-R332 HydrophobicContact CD2-CB 4.23Å; F296-R332 HydrophobicContact CD2-CG 4.4Å; F296-R332 HydrophobicContact CE1-CB 4.15Å; F296-R332 HydrophobicContact CE2-CB 4.5Å; F296-R332 HydrophobicContact CG-CB 3.87Å; F296-R332 HydrophobicContact CG-CG 4.47Å; F296-R332 HydrophobicContact CZ-CB 4.48Å; F296-A334 HydrophobicContact CB-CB 3.92Å; F296-A334 HydrophobicContact CD1-CB 4.04Å; F296-A334 HydrophobicContact CG-CB 4.49Å; F296-V337 HydrophobicContact CD1-CG1 4.44Å; F296-V337 HydrophobicContact CD1-CG2 4Å; F296-V337 HydrophobicContact CE1-CG1 4.14Å; F296-V337 HydrophobicContact CE1-CG2 4.14Å; F296-V337 HydrophobicContact CZ-CG1 4.5Å
297	G	94.6	Very high	90.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	-174.8	-173.1	0	0	0	0	0	115.2	D302 A334 R335 C336	G297-D302 WeakPolarHBondContact CA-OD2 3.48Å; G297-A334 WeakPolarHBondContact O-CB 3.45Å; G297-R335 PolarHBondContact O-N 3.33Å; G297-C336 PolarHBondContact N-O 3.4Å; G297-C336 PolarHBondContact O-N 2.86Å
298	T	93.6	Very high	91.9	Very high	38 Å²	38	44.2 Å²	44.2	23%	0.233	23%	0.228	C	C	.	.	S	Bend	trans	-85.1	-30.4	172.9	59.1	0	0	0	0	112.2	F268 D302 R335 M362	F268-T298 HydrophobicContact CE1-CG2 3.8Å; F268-T298 HydrophobicContact CZ-CG2 3.68Å; T298-D302 WeakPolarHBondContact CB-OD2 3.31Å; T298-D302 VanDerWaalsContact CG2-OD2 3.31Å; T298-D302 WeakPolarHBondContact CG2-OD2 3.41Å; T298-D302 PolarHBondContact N-OD2 2.83Å; T298-D302 WeakPolarHBondContact OG1-CB 3.34Å; T298-D302 PolarHBondContact OG1-OD2 3.24Å; T298-R335 PolarHBondContact O-NE 3.11Å; T298-R335 PolarHBondContact O-NH2 3.46Å; T298-M362 HydrophobicContact CG2-SD 3.99Å
299	S	93.8	Very high	93	Very high	36 Å²	36	44.6 Å²	44.6	25%	0.252	23%	0.229	S	C	.	.	S	Bend	trans	-143.6	176	171.3	74.6	0	0	0	0	109.2	E301 D302 A303	S299-E301 VanDerWaalsContact C-N 3.33Å; S299-E301 VanDerWaalsContact CB-OE2 3.26Å; S299-E301 WeakPolarHBondContact CB-OE2 3.41Å; S299-E301 PolarHBondContact O-N 2.8Å; S299-E301 PolarHBondContact OG-N 3.22Å; S299-E301 PolarHBondContact OG-OE2 3.49Å; S299-D302 PolarHBondContact O-N 2.84Å; S299-A303 WeakPolarHBondContact O-CB 3.29Å; S299-A303 PolarHBondContact O-N 2.83Å
300	R	94	Very high	93.5	Very high	86 Å²	86	50.2 Å²	50.2	33%	0.325	26%	0.255	S	S	.	.	H	α-helix	trans	-54.5	-44.4	174.6	-177.7	-175.1	177.3	71.4	6.3	112.9	E260 E262 A303 L304	E260-R300 IonicContact OE1-CZ 3.43Å; E260-R300 IonicContact OE1-NH1 3.22Å; E260-R300 PolarHBondContact OE1-NH1 2.77Å; E260-R300 IonicContact OE1-NH2 3.44Å; E260-R300 PolarHBondContact OE1-NH2 3.19Å; E262-R300 WeakPolarHBondContact OE2-CD 3.47Å; E262-R300 VanDerWaalsContact OE2-CG 3.3Å; E262-R300 WeakPolarHBondContact OE2-CG 3.37Å; E262-R300 IonicContact OE2-CZ 3.26Å; E262-R300 IonicContact OE2-NE 3.63Å; E262-R300 IonicContact OE2-NH1 2.72Å; E262-R300 PolarHBondContact OE2-NH1 2.6Å; R300-A303 PolarHBondContact O-N 2.71Å; R300-L304 HydrophobicContact CG-CD1 4.24Å; R300-L304 WeakPolarHBondContact O-CG 3.4Å; R300-L304 PolarHBondContact O-N 2.99Å
301	E	94.1	Very high	93.8	Very high	113 Å²	113	50 Å²	50	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-67.6	-46.2	-176.9	-56	69.1	-147.4	0	0	111.4	S299 A303 L304 Q305	S299-E301 VanDerWaalsContact C-N 3.33Å; S299-E301 VanDerWaalsContact CB-OE2 3.26Å; S299-E301 WeakPolarHBondContact CB-OE2 3.41Å; S299-E301 PolarHBondContact O-N 2.8Å; S299-E301 PolarHBondContact OG-N 3.22Å; S299-E301 PolarHBondContact OG-OE2 3.49Å; E301-A303 VanDerWaalsContact C-N 3.35Å; E301-L304 PolarHBondContact O-N 3.17Å; E301-Q305 WeakPolarHBondContact O-CG 3.49Å; E301-Q305 PolarHBondContact O-N 2.94Å; E301-Q305 VanDerWaalsContact O-N 3.08Å
302	D	93.6	Very high	93.5	Very high	35 Å²	35	50.7 Å²	50.7	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-33.6	176.7	169.1	54.8	0	0	0	111.7	G297 T298 S299 Q305 R306	G297-D302 WeakPolarHBondContact CA-OD2 3.48Å; T298-D302 WeakPolarHBondContact CB-OD2 3.31Å; T298-D302 VanDerWaalsContact CG2-OD2 3.31Å; T298-D302 WeakPolarHBondContact CG2-OD2 3.41Å; T298-D302 PolarHBondContact N-OD2 2.83Å; T298-D302 WeakPolarHBondContact OG1-CB 3.34Å; T298-D302 PolarHBondContact OG1-OD2 3.24Å; S299-D302 PolarHBondContact O-N 2.84Å; D302-Q305 PolarHBondContact O-N 2.9Å; D302-R306 VanDerWaalsContact CG-NE 3.32Å; D302-R306 VanDerWaalsContact CG-NH2 3.3Å; D302-R306 VanDerWaalsContact O-CD 3.28Å; D302-R306 WeakPolarHBondContact O-CD 3.24Å; D302-R306 VanDerWaalsContact O-CG 3.25Å; D302-R306 WeakPolarHBondContact O-CG 3.35Å; D302-R306 PolarHBondContact O-N 3.18Å; D302-R306 IonicContact OD1-CZ 2.71Å; D302-R306 VanDerWaalsContact OD1-CZ 3.25Å; D302-R306 IonicContact OD1-NE 3.06Å; D302-R306 PolarHBondContact OD1-NE 2.96Å; D302-R306 IonicContact OD1-NH2 2.79Å; D302-R306 PolarHBondContact OD1-NH2 3.48Å; D302-R306 IonicContact OD2-CZ 3.68Å; D302-R306 IonicContact OD2-NE 3.36Å; D302-R306 PolarHBondContact OD2-NE 3.13Å; D302-R306 IonicContact OD2-NH2 3.91Å; D302-R306 PolarHBondContact OD2-NH2 3.16Å
303	A	93.3	Very high	92.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-47.2	171.5	0	0	0	0	0	111.3	H295 S299 R300 E301 Q305 R306	H295-A303 HydrophobicContact CB-CB 3.99Å; H295-A303 WeakPolarHBondContact CB-O 3.34Å; H295-A303 PolarHBondContact ND1-O 2.65Å; S299-A303 WeakPolarHBondContact O-CB 3.29Å; S299-A303 PolarHBondContact O-N 2.83Å; R300-A303 PolarHBondContact O-N 2.71Å; E301-A303 VanDerWaalsContact C-N 3.35Å; A303-Q305 VanDerWaalsContact C-N 3.32Å; A303-Q305 PolarHBondContact O-N 2.88Å; A303-R306 PolarHBondContact O-N 3.02Å
304	L	93.2	Very high	91.3	Very high	74 Å²	74	55.1 Å²	55.1	39%	0.387	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-29.6	180	-74	169	0	0	0	113.7	R300 E301 R306 L338	R300-L304 HydrophobicContact CG-CD1 4.24Å; R300-L304 WeakPolarHBondContact O-CG 3.4Å; R300-L304 PolarHBondContact O-N 2.99Å; E301-L304 PolarHBondContact O-N 3.17Å; L304-R306 VanDerWaalsContact C-N 3.32Å; L304-L338 HydrophobicContact CD1-CD2 4.49Å; L304-L338 HydrophobicContact CD2-CD2 3.56Å; L304-L338 HydrophobicContact CG-CD2 3.97Å
305	Q	91.3	Very high	89.5	Confident	165 Å²	165	62.3 Å²	62.3	77%	0.771	33%	0.326	S	S	*	.	H	α-helix	trans	-74.5	-18.7	175.6	-72.1	175.7	22.9	0	0	113.8	E301 D302 A303	E301-Q305 WeakPolarHBondContact O-CG 3.49Å; E301-Q305 PolarHBondContact O-N 2.94Å; E301-Q305 VanDerWaalsContact O-N 3.08Å; D302-Q305 PolarHBondContact O-N 2.9Å; A303-Q305 VanDerWaalsContact C-N 3.32Å; A303-Q305 PolarHBondContact O-N 2.88Å
306	R	90.1	Very high	87.4	Confident	79 Å²	79	70 Å²	70	30%	0.298	36%	0.362	S	S	.	.	S	Bend	trans	-91	148.3	-178.4	-69	164.3	-176.4	-150.2	2.5	111.5	F296 D302 A303 L304 P308	F296-R306 WeakPolarHBondContact O-CD 3.3Å; F296-R306 PolarHBondContact O-NH1 2.83Å; D302-R306 VanDerWaalsContact CG-NE 3.32Å; D302-R306 VanDerWaalsContact CG-NH2 3.3Å; D302-R306 VanDerWaalsContact O-CD 3.28Å; D302-R306 WeakPolarHBondContact O-CD 3.24Å; D302-R306 VanDerWaalsContact O-CG 3.25Å; D302-R306 WeakPolarHBondContact O-CG 3.35Å; D302-R306 PolarHBondContact O-N 3.18Å; D302-R306 IonicContact OD1-CZ 2.71Å; D302-R306 VanDerWaalsContact OD1-CZ 3.25Å; D302-R306 IonicContact OD1-NE 3.06Å; D302-R306 PolarHBondContact OD1-NE 2.96Å; D302-R306 IonicContact OD1-NH2 2.79Å; D302-R306 PolarHBondContact OD1-NH2 3.48Å; D302-R306 IonicContact OD2-CZ 3.68Å; D302-R306 IonicContact OD2-NE 3.36Å; D302-R306 PolarHBondContact OD2-NE 3.13Å; D302-R306 IonicContact OD2-NH2 3.91Å; D302-R306 PolarHBondContact OD2-NH2 3.16Å; A303-R306 PolarHBondContact O-N 3.02Å; L304-R306 VanDerWaalsContact C-N 3.32Å; R306-P308 WeakPolarHBondContact O-CD 3.39Å
307	L	90.3	Very high	85.2	Confident	143 Å²	143	71 Å²	71	75%	0.749	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-58.3	119.2	177.5	-173.4	75.4	0	0	0	110.6	R332	L307-R332 PolarHBondContact O-NH1 3.2Å; L307-R332 PolarHBondContact O-NH2 3.36Å
308	P	94.2	Very high	83.2	Confident	34 Å²	34	74.3 Å²	74.3	22%	0.221	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-64.4	159.9	179.4	23.4	-32.1	0	0	0	112.5	S293 L294 R306 R332	S293-P308 VanDerWaalsContact OG-CB 3.28Å; S293-P308 WeakPolarHBondContact OG-CB 3.06Å; L294-P308 CarbonylContact O-C 3.6Å; L294-P308 WeakPolarHBondContact O-CA 3.17Å; R306-P308 WeakPolarHBondContact O-CD 3.39Å; P308-R332 PolarHBondContact O-NH2 3.11Å
309	L	94.3	Very high	81.2	Confident	16 Å²	16	75.2 Å²	75.2	8%	0.084	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.6	160.1	178.2	71.5	0	0	0	107.8	L294 F296 P328 K330	L294-L309 HydrophobicContact CB-CB 4.36Å; L294-L309 PolarHBondContact N-O 3.42Å; L294-L309 PolarHBondContact O-N 2.86Å; F296-L309 HydrophobicContact CE2-CB 4.2Å; L309-P328 WeakPolarHBondContact CD2-O 3.3Å; L309-K330 HydrophobicContact CD1-CD 4.03Å
310	Q	94.3	Very high	79.8	Confident	117 Å²	117	81.9 Å²	81.9	55%	0.547	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	140.3	172.3	-61.8	-59.6	-17	0	0	110.5	S293	S293-Q310 VanDerWaalsContact CB-OE1 3.3Å; S293-Q310 PolarHBondContact OG-NE2 3.44Å
311	F	91.3	Very high	78.9	Confident	48 Å²	48	78.1 Å²	78.1	21%	0.211	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.4	175.2	176.2	-92.6	0	0	0	109.8	F289 A292 P313 V325 I327	F289-F311 HydrophobicContact CE2-CD1 4.15Å; F289-F311 HydrophobicContact CE2-CE1 4.25Å; A292-F311 HydrophobicContact CB-CB 4.44Å; A292-F311 HydrophobicContact CB-CD1 4.42Å; A292-F311 PolarHBondContact N-O 2.75Å; A292-F311 PolarHBondContact O-N 2.88Å; F311-P313 HydrophobicContact CE1-CB 4.11Å; F311-V325 HydrophobicContact CE1-CG1 3.77Å; F311-V325 HydrophobicContact CZ-CG1 4.14Å; F311-I327 HydrophobicContact CB-CG2 3.89Å; F311-I327 HydrophobicContact CD1-CD1 3.89Å; F311-I327 HydrophobicContact CD1-CG1 3.83Å; F311-I327 HydrophobicContact CD1-CG2 4.42Å; F311-I327 HydrophobicContact CD2-CG1 4.48Å; F311-I327 HydrophobicContact CD2-CG2 3.99Å; F311-I327 HydrophobicContact CE1-CD1 4.34Å; F311-I327 HydrophobicContact CE1-CG1 3.93Å; F311-I327 HydrophobicContact CG-CB 4.49Å; F311-I327 HydrophobicContact CG-CD1 4.32Å; F311-I327 HydrophobicContact CG-CG1 4.11Å; F311-I327 HydrophobicContact CG-CG2 3.85Å; F311-I327 HydrophobicContact CZ-CG1 4.3Å
312	G	85	Confident	78.2	Confident	49 Å²	49	74.5 Å²	74.5	51%	0.505	39%	0.388	S	S	.	.			trans	-119.6	125.8	168.7	0	0	0	0	0	108.6
313	P	76.9	Confident	77.5	Confident	22 Å²	22	75.2 Å²	75.2	14%	0.143	39%	0.388	C	S	.	.			trans	-64.1	142	174.1	26.1	-30.7	0	0	0	110.2	F289 F311	F289-P313 HydrophobicContact CD2-CG 4.21Å; F289-P313 HydrophobicContact CE2-CG 4.09Å; F289-P313 VanDerWaalsContact O-CG 3.31Å; F289-P313 WeakPolarHBondContact O-CG 3.11Å; F311-P313 HydrophobicContact CE1-CB 4.11Å
314	P	67.7	Low	77.1	Confident	86 Å²	86	78 Å²	78	56%	0.558	40%	0.398	S	S	*	.			trans	-62.9	144.3	-179.7	25.3	-33	0	0	0	110.9	E316 S317	P314-E316 PolarHBondContact O-N 2.72Å; P314-E316 VanDerWaalsContact O-N 3.11Å; P314-S317 WeakPolarHBondContact O-CA 3.48Å; P314-S317 WeakPolarHBondContact O-CB 3.46Å; P314-S317 PolarHBondContact O-N 3.33Å; P314-S317 PolarHBondContact O-OG 2.69Å
315	I	60	Low	76.8	Confident	151 Å²	151	75 Å²	75	77%	0.774	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-56.7	-35	-170.8	-61.8	171.7	0	0	0	112.4	S317 L318	I315-S317 PolarHBondContact O-N 3.32Å; I315-L318 WeakPolarHBondContact O-CB 3.27Å; I315-L318 PolarHBondContact O-N 3.42Å
316	E	52	Low	76.6	Confident	176 Å²	176	71.1 Å²	71.1	82%	0.822	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17.1	177.1	-65.7	168.5	-178.4	0	0	113.7	P314 L318 S319	P314-E316 PolarHBondContact O-N 2.72Å; P314-E316 VanDerWaalsContact O-N 3.11Å; E316-L318 PolarHBondContact O-N 2.8Å; E316-S319 PolarHBondContact O-OG 2.7Å; E316-S319 VanDerWaalsContact O-OG 3.12Å
317	S	50.6	Low	76.6	Confident	22 Å²	22	67.4 Å²	67.4	15%	0.154	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-81.5	9.7	175.5	71	0	0	0	0	114.6	P314 I315 R323	P314-S317 WeakPolarHBondContact O-CA 3.48Å; P314-S317 WeakPolarHBondContact O-CB 3.46Å; P314-S317 PolarHBondContact O-N 3.33Å; P314-S317 PolarHBondContact O-OG 2.69Å; I315-S317 PolarHBondContact O-N 3.32Å; S317-R323 PolarHBondContact O-NE 2.96Å; S317-R323 VanDerWaalsContact O-NE 3.13Å; S317-R323 PolarHBondContact O-NH1 3.21Å; S317-R323 PolarHBondContact O-NH2 3.34Å
318	L	53.9	Low	76.6	Confident	71 Å²	71	64.3 Å²	64.3	37%	0.372	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-91.9	11.5	171.4	-69	163.2	0	0	0	113.8	Y280 I315 E316	Y280-L318 HydrophobicContact CD2-CD2 4.48Å; Y280-L318 HydrophobicContact CE2-CD2 4.43Å; I315-L318 WeakPolarHBondContact O-CB 3.27Å; I315-L318 PolarHBondContact O-N 3.42Å; E316-L318 PolarHBondContact O-N 2.8Å
319	S	51.7	Low	76.5	Confident	56 Å²	56	62.7 Å²	62.7	39%	0.392	33%	0.331	S	S	.	.	S	Bend	trans	-63	160.5	175.1	30.1	0	0	0	0	113.1	E316 R323	E316-S319 PolarHBondContact O-OG 2.7Å; E316-S319 VanDerWaalsContact O-OG 3.12Å; S319-R323 VanDerWaalsContact C-NH2 3.28Å; S319-R323 PolarHBondContact O-NH2 2.89Å; S319-R323 PolarHBondContact OG-NH1 2.94Å; S319-R323 PolarHBondContact OG-NH2 3.23Å
320	R	64.5	Low	76.3	Confident	176 Å²	176	69.5 Å²	69.5	66%	0.664	36%	0.36	S	S	*	.	S	Bend	trans	-61.6	143	177.5	-66.2	-176.5	-176	-176.4	1.1	112.3	E282	E282-R320 HydrophobicContact CB-CG 4.34Å; E282-R320 IonicContact OE1-CZ 3.51Å; E282-R320 IonicContact OE1-NE 3.45Å; E282-R320 IonicContact OE1-NH2 3.89Å; E282-R320 PolarHBondContact OE1-NH2 3.43Å; E282-R320 IonicContact OE2-CZ 2.72Å; E282-R320 IonicContact OE2-NE 2.63Å; E282-R320 PolarHBondContact OE2-NE 3.41Å; E282-R320 IonicContact OE2-NH2 3.97Å; E282-R320 PolarHBondContact OE2-NH2 2.88Å; E282-R320 VanDerWaalsContact OE2-NH2 3.15Å
321	G	73.9	Confident	76	Confident	8 Å²	8	69.4 Å²	69.4	8%	0.082	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.8	-174	170.5	0	0	0	0	0	115.2	E238 Y280	E238-G321 WeakPolarHBondContact OE1-CA 3.3Å; Y280-G321 PolarHBondContact N-O 3Å; Y280-G321 PolarHBondContact O-N 3.37Å
322	T	79.9	Confident	76	Confident	37 Å²	37	70.1 Å²	70.1	23%	0.227	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141	173.7	54.7	0	0	0	0	111.5	E238 W247 V278 F281	E238-T322 HydrophobicContact CG-CG2 3.8Å; E238-T322 VanDerWaalsContact CG-OG1 3.25Å; E238-T322 WeakPolarHBondContact CG-OG1 3.33Å; E238-T322 PolarHBondContact OE1-N 2.88Å; W247-T322 HydrophobicContact CH2-CG2 3.7Å; W247-T322 HydrophobicContact CZ2-CG2 3.5Å; V278-T322 WeakPolarHBondContact O-CA 3.45Å; F281-T322 HydrophobicContact CE1-CG2 4.47Å; F281-T322 HydrophobicContact CZ-CG2 3.75Å
323	R	79.3	Confident	76.4	Confident	50 Å²	50	70.4 Å²	70.4	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.1	-179.1	70.6	-175.8	72	-133.3	4.9	113.3	H277 V278 S317 S319 V325	H277-R323 WeakPolarHBondContact CA-O 3.46Å; H277-R323 PolarHBondContact CD2-O 3.22Å; V278-R323 HydrophobicContact CG2-CG 3.69Å; V278-R323 PolarHBondContact N-O 2.75Å; V278-R323 PolarHBondContact O-N 3.33Å; S317-R323 PolarHBondContact O-NE 2.96Å; S317-R323 VanDerWaalsContact O-NE 3.13Å; S317-R323 PolarHBondContact O-NH1 3.21Å; S317-R323 PolarHBondContact O-NH2 3.34Å; S319-R323 VanDerWaalsContact C-NH2 3.28Å; S319-R323 PolarHBondContact O-NH2 2.89Å; S319-R323 PolarHBondContact OG-NH1 2.94Å; S319-R323 PolarHBondContact OG-NH2 3.23Å; R323-V325 HydrophobicContact CG-CG2 4.16Å
324	W	85	Confident	77.3	Confident	57 Å²	57	69.4 Å²	69.4	22%	0.216	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.9	162	-72.6	94.3	0	0	0	110.8	V235 A275 L276 H277 E352 K354	V235-W324 HydrophobicContact CG2-CZ2 3.86Å; A275-W324 HydrophobicContact CB-CE3 3.68Å; A275-W324 HydrophobicContact CB-CZ3 3.97Å; L276-W324 WeakPolarHBondContact O-CA 3.31Å; H277-W324 HydrophobicContact CB-CD2 4.01Å; H277-W324 HydrophobicContact CB-CE3 3.98Å; H277-W324 HydrophobicContact CB-CH2 3.98Å; H277-W324 HydrophobicContact CB-CZ2 3.96Å; H277-W324 HydrophobicContact CB-CZ3 3.97Å; H277-W324 AromaticContact CD2-CD1 3.72Å; H277-W324 AromaticContact CD2-CE2 3.78Å; H277-W324 AromaticContact CD2-NE1 3.54Å; W324-E352 HydrophobicContact CH2-CB 3.85Å; W324-E352 HydrophobicContact CH2-CG 3.49Å; W324-E352 VanDerWaalsContact CH2-CG 3.49Å; W324-E352 HydrophobicContact CZ2-CB 4.44Å; W324-E352 HydrophobicContact CZ2-CG 4.23Å; W324-E352 HydrophobicContact CZ3-CG 4.36Å; W324-K354 HydrophobicContact CH2-CD 3.53Å; W324-K354 HydrophobicContact CH2-CG 3.83Å; W324-K354 HydrophobicContact CZ2-CD 4.22Å; W324-K354 HydrophobicContact CZ3-CB 4.37Å; W324-K354 HydrophobicContact CZ3-CD 4.02Å; W324-K354 HydrophobicContact CZ3-CG 4.05Å
325	V	85.7	Confident	78.6	Confident	11 Å²	11	70.2 Å²	70.2	7%	0.067	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.3	167.6	-178	0	0	0	0	108.1	A275 L276 V278 F289 F311 R323	A275-V325 WeakPolarHBondContact CA-O 3.28Å; L276-V325 PolarHBondContact N-O 2.67Å; L276-V325 PolarHBondContact O-N 2.78Å; V278-V325 HydrophobicContact CG2-CG2 3.71Å; F289-V325 HydrophobicContact CE1-CG1 4.46Å; F289-V325 HydrophobicContact CE2-CG1 4.45Å; F289-V325 HydrophobicContact CZ-CB 4.2Å; F289-V325 HydrophobicContact CZ-CG1 3.7Å; F311-V325 HydrophobicContact CE1-CG1 3.77Å; F311-V325 HydrophobicContact CZ-CG1 4.14Å; R323-V325 HydrophobicContact CG-CG2 4.16Å
326	I	88.1	Confident	80.3	Confident	84 Å²	84	63 Å²	63	43%	0.431	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	-178.5	-54.2	175.5	0	0	0	108.9	A275	A275-I326 HydrophobicContact CB-CG1 4.02Å
327	I	89.9	Confident	82.5	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.2	-179.1	-53.3	-176.5	0	0	0	108.4	S273 I274 L276 F289 A292 L294 F311 T329	S273-I327 WeakPolarHBondContact CA-O 3.41Å; I274-I327 PolarHBondContact N-O 3.07Å; I274-I327 PolarHBondContact O-N 2.81Å; L276-I327 HydrophobicContact CD1-CD1 3.71Å; L276-I327 HydrophobicContact CD1-CG1 4.2Å; F289-I327 HydrophobicContact CZ-CD1 4.22Å; A292-I327 HydrophobicContact CB-CD1 3.96Å; L294-I327 HydrophobicContact CD1-CD1 4Å; L294-I327 HydrophobicContact CD1-CG2 4.09Å; L294-I327 HydrophobicContact CD2-CB 4.45Å; L294-I327 HydrophobicContact CD2-CD1 4.47Å; L294-I327 HydrophobicContact CD2-CG2 3.87Å; F311-I327 HydrophobicContact CB-CG2 3.89Å; F311-I327 HydrophobicContact CD1-CD1 3.89Å; F311-I327 HydrophobicContact CD1-CG1 3.83Å; F311-I327 HydrophobicContact CD1-CG2 4.42Å; F311-I327 HydrophobicContact CD2-CG1 4.48Å; F311-I327 HydrophobicContact CD2-CG2 3.99Å; F311-I327 HydrophobicContact CE1-CD1 4.34Å; F311-I327 HydrophobicContact CE1-CG1 3.93Å; F311-I327 HydrophobicContact CG-CB 4.49Å; F311-I327 HydrophobicContact CG-CD1 4.32Å; F311-I327 HydrophobicContact CG-CG1 4.11Å; F311-I327 HydrophobicContact CG-CG2 3.85Å; F311-I327 HydrophobicContact CZ-CG1 4.3Å; I327-T329 PolarHBondContact O-N 3.34Å
328	P	90.2	Very high	84.7	Confident	79 Å²	79	53.6 Å²	53.6	51%	0.513	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	117.6	177	-19.7	32.7	0	0	0	110.7	L309 K330	L309-P328 WeakPolarHBondContact CD2-O 3.3Å; P328-K330 VanDerWaalsContact C-N 3.33Å; P328-K330 PolarHBondContact O-N 3.05Å
329	T	91.6	Very high	86.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	1	-169.9	51.4	0	0	0	0	114.2	F271 T272 S273 I274 L294 F296 I327 H331 R332	F271-T329 HydrophobicContact CB-CG2 4.4Å; F271-T329 VanDerWaalsContact CB-OG1 3.26Å; F271-T329 WeakPolarHBondContact CB-OG1 3.41Å; F271-T329 PolarHBondContact O-OG1 3.26Å; T272-T329 PolarHBondContact N-OG1 3.28Å; T272-T329 PolarHBondContact O-N 2.87Å; T272-T329 PolarHBondContact O-OG1 3.25Å; T272-T329 VanDerWaalsContact O-OG1 3.07Å; S273-T329 PolarHBondContact N-OG1 3.39Å; I274-T329 HydrophobicContact CB-CG2 4.19Å; I274-T329 HydrophobicContact CD1-CG2 3.74Å; I274-T329 HydrophobicContact CG1-CG2 3.72Å; L294-T329 HydrophobicContact CD2-CG2 4.19Å; F296-T329 HydrophobicContact CE1-CG2 4.12Å; F296-T329 HydrophobicContact CZ-CG2 3.61Å; I327-T329 PolarHBondContact O-N 3.34Å; T329-H331 PolarHBondContact O-N 2.89Å; T329-R332 WeakPolarHBondContact O-CG 3.36Å; T329-R332 PolarHBondContact O-N 2.94Å
330	K	90	Very high	88.9	Confident	158 Å²	158	49.2 Å²	49.2	69%	0.687	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.9	40.4	176.2	-54.6	-177.5	-178.9	178.8	0	113.5	L309 P328 R332	L309-K330 HydrophobicContact CD1-CD 4.03Å; P328-K330 VanDerWaalsContact C-N 3.33Å; P328-K330 PolarHBondContact O-N 3.05Å; K330-R332 VanDerWaalsContact C-N 3.27Å; K330-R332 PolarHBondContact O-N 2.73Å
331	H	88.9	Confident	90.4	Very high	115 Å²	115	40.8 Å²	40.8	53%	0.532	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.2	38.5	177.7	-60.1	-60.3	0	0	0	114	N270 F271 T329	N270-H331 WeakPolarHBondContact OD1-CA 3.5Å; N270-H331 VanDerWaalsContact OD1-CB 3.3Å; N270-H331 WeakPolarHBondContact OD1-CB 3.33Å; N270-H331 PolarHBondContact OD1-O 2.84Å; F271-H331 WeakPolarHBondContact O-CA 3.28Å; F271-H331 PolarHBondContact O-N 3.38Å; T329-H331 PolarHBondContact O-N 2.89Å
332	R	91.7	Very high	91.3	Very high	63 Å²	63	44.3 Å²	44.3	24%	0.238	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.5	174.7	-79.1	-178.9	174.2	-127.4	12.1	110	F271 F296 L307 P308 T329 K330	F271-R332 WeakPolarHBondContact CD2-O 3.41Å; F271-R332 PolarHBondContact N-O 3.42Å; F296-R332 HydrophobicContact CB-CB 4.32Å; F296-R332 HydrophobicContact CD1-CB 3.83Å; F296-R332 HydrophobicContact CD2-CB 4.23Å; F296-R332 HydrophobicContact CD2-CG 4.4Å; F296-R332 HydrophobicContact CE1-CB 4.15Å; F296-R332 HydrophobicContact CE2-CB 4.5Å; F296-R332 HydrophobicContact CG-CB 3.87Å; F296-R332 HydrophobicContact CG-CG 4.47Å; F296-R332 HydrophobicContact CZ-CB 4.48Å; L307-R332 PolarHBondContact O-NH1 3.2Å; L307-R332 PolarHBondContact O-NH2 3.36Å; P308-R332 PolarHBondContact O-NH2 3.11Å; T329-R332 WeakPolarHBondContact O-CG 3.36Å; T329-R332 PolarHBondContact O-N 2.94Å; K330-R332 VanDerWaalsContact C-N 3.27Å; K330-R332 PolarHBondContact O-N 2.73Å
333	V	92.8	Very high	91.7	Very high	56 Å²	56	42.7 Å²	42.7	34%	0.339	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.3	178.8	-179.8	0	0	0	0	110.6	F268 R269 N270 A360	F268-V333 HydrophobicContact CB-CG1 4.49Å; F268-V333 HydrophobicContact CD1-CG1 4.22Å; R269-V333 CarbonylContact O-C 3.51Å; R269-V333 VanDerWaalsContact O-CA 3.27Å; R269-V333 WeakPolarHBondContact O-CA 3.43Å; N270-V333 HydrophobicContact CB-CG2 4.01Å; V333-A360 HydrophobicContact CG1-CB 3.73Å; V333-A360 HydrophobicContact CG2-CB 4.28Å
334	A	95.2	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	170.8	178.8	0	0	0	0	0	112.7	F268 R269 F271 F296 G297 V337	F268-A334 WeakPolarHBondContact CA-O 3.37Å; R269-A334 PolarHBondContact N-O 3.01Å; R269-A334 PolarHBondContact O-N 3.09Å; F271-A334 HydrophobicContact CD2-CB 4.41Å; F271-A334 HydrophobicContact CE2-CB 3.93Å; F296-A334 HydrophobicContact CB-CB 3.92Å; F296-A334 HydrophobicContact CD1-CB 4.04Å; F296-A334 HydrophobicContact CG-CB 4.49Å; G297-A334 WeakPolarHBondContact O-CB 3.45Å; A334-V337 HydrophobicContact CB-CG2 4.24Å
335	R	95.1	Very high	91.7	Very high	103 Å²	103	40.9 Å²	40.9	39%	0.389	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-21.4	165.6	-172.5	-175.6	65.1	160.7	0.5	111.7	F265 F268 G297 T298	F265-R335 HydrophobicContact CB-CG 4.46Å; F265-R335 WeakPolarHBondContact CB-O 3.43Å; F265-R335 WeakPolarHBondContact CD2-O 3.3Å; F265-R335 PolarHBondContact N-O 2.71Å; F265-R335 WeakPolarHBondContact O-CG 3.48Å; F268-R335 HydrophobicContact CD1-CB 4.1Å; F268-R335 HydrophobicContact CE1-CB 4.12Å; G297-R335 PolarHBondContact O-N 3.33Å; T298-R335 PolarHBondContact O-NE 3.11Å; T298-R335 PolarHBondContact O-NH2 3.46Å
336	C	97.2	Very high	91.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.6	170.1	-179.4	0	0	0	0	108.3	F263 N264 G297	F263-C336 WeakPolarHBondContact O-CA 3.46Å; N264-C336 PolarHBondContact OD1-SG 3.04Å; G297-C336 PolarHBondContact N-O 3.4Å; G297-C336 PolarHBondContact O-N 2.86Å
337	V	97.6	Very high	91.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.4	175.3	-179.3	0	0	0	0	108.5	E262 F263 F265 F271 I274 H295 F296 A334 I339	E262-V337 CarbonylContact C-O 3.57Å; F263-V337 PolarHBondContact N-O 2.77Å; F263-V337 PolarHBondContact O-N 3.4Å; F265-V337 HydrophobicContact CD2-CG2 4.5Å; F265-V337 HydrophobicContact CE2-CB 4.31Å; F265-V337 HydrophobicContact CE2-CG2 3.92Å; F271-V337 HydrophobicContact CD2-CG2 4.28Å; F271-V337 HydrophobicContact CE1-CG2 4.12Å; F271-V337 HydrophobicContact CE2-CG2 3.71Å; F271-V337 HydrophobicContact CZ-CG2 3.62Å; I274-V337 HydrophobicContact CD1-CG1 3.85Å; H295-V337 WeakPolarHBondContact O-CA 3.44Å; F296-V337 HydrophobicContact CD1-CG1 4.44Å; F296-V337 HydrophobicContact CD1-CG2 4Å; F296-V337 HydrophobicContact CE1-CG1 4.14Å; F296-V337 HydrophobicContact CE1-CG2 4.14Å; F296-V337 HydrophobicContact CZ-CG1 4.5Å; A334-V337 HydrophobicContact CB-CG2 4.24Å; V337-I339 HydrophobicContact CG1-CG1 4.08Å
338	L	97.7	Very high	91.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.6	176.8	-168.5	75.6	0	0	0	109.1	E260 L261 E262 L294 H295 L304	E260-L338 HydrophobicContact CG-CD1 3.65Å; E260-L338 HydrophobicContact CG-CD2 4.25Å; E260-L338 HydrophobicContact CG-CG 3.92Å; L261-L338 CarbonylContact O-C 3.26Å; L261-L338 WeakPolarHBondContact O-CA 3.46Å; E262-L338 HydrophobicContact CB-CD1 3.66Å; E262-L338 HydrophobicContact CG-CD1 3.92Å; L294-L338 CarbonylContact C-O 3.6Å; L294-L338 WeakPolarHBondContact CA-O 3.31Å; H295-L338 HydrophobicContact CB-CB 4.16Å; H295-L338 PolarHBondContact N-O 3.01Å; H295-L338 PolarHBondContact O-N 3.16Å; L304-L338 HydrophobicContact CD1-CD2 4.49Å; L304-L338 HydrophobicContact CD2-CD2 3.56Å; L304-L338 HydrophobicContact CG-CD2 3.97Å
339	I	97.2	Very high	91.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.7	-178.7	-49.8	179.2	0	0	0	107.8	L261 F263 I274 L294 V337 L341 L353 F355	L261-I339 HydrophobicContact CB-CB 4.49Å; L261-I339 PolarHBondContact N-O 3.28Å; L261-I339 PolarHBondContact O-N 3.29Å; F263-I339 HydrophobicContact CD2-CD1 4.13Å; F263-I339 HydrophobicContact CD2-CG1 4.45Å; F263-I339 HydrophobicContact CE2-CD1 3.92Å; F263-I339 HydrophobicContact CE2-CG1 4.47Å; I274-I339 HydrophobicContact CG2-CD1 3.94Å; L294-I339 HydrophobicContact CG-CG1 4.44Å; L294-I339 HydrophobicContact CG-CG2 4.34Å; V337-I339 HydrophobicContact CG1-CG1 4.08Å; I339-L341 HydrophobicContact CG2-CD2 3.62Å; I339-L341 HydrophobicContact CG2-CG 3.95Å; I339-L353 HydrophobicContact CD1-CD2 3.98Å; I339-F355 HydrophobicContact CD1-CE1 4.26Å; I339-F355 HydrophobicContact CD1-CZ 4.31Å
340	K	96.3	Very high	91	Very high	35 Å²	35	36.4 Å²	36.4	15%	0.152	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.4	172	-66	165.3	179.8	-74.4	0	108.6	M258 V259 E260 A292 S293	M258-K340 HydrophobicContact CE-CB 4.22Å; M258-K340 HydrophobicContact CE-CD 4.23Å; M258-K340 HydrophobicContact CG-CB 4.11Å; M258-K340 HydrophobicContact SD-CB 3.78Å; M258-K340 HydrophobicContact SD-CD 3.85Å; M258-K340 HydrophobicContact SD-CG 3.75Å; V259-K340 CarbonylContact O-C 3.47Å; V259-K340 WeakPolarHBondContact O-CA 3.3Å; E260-K340 HydrophobicContact CB-CG 4.45Å; E260-K340 HydrophobicContact CG-CG 3.97Å; E260-K340 WeakPolarHBondContact OE2-CE 3.49Å; E260-K340 IonicContact OE2-NZ 2.88Å; E260-K340 PolarHBondContact OE2-NZ 2.99Å; A292-K340 CarbonylContact C-O 3.57Å; A292-K340 WeakPolarHBondContact CA-O 3.14Å; S293-K340 PolarHBondContact N-O 3.08Å; S293-K340 PolarHBondContact O-N 3.45Å
341	L	94.5	Very high	91	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120	-178.5	-59.6	178.7	0	0	0	109.6	M258 V259 L261 L276 F289 A292 I339 L348 I350	M258-L341 CarbonylContact C-O 3.58Å; M258-L341 WeakPolarHBondContact CA-O 3.38Å; V259-L341 PolarHBondContact N-O 2.71Å; V259-L341 PolarHBondContact O-N 2.87Å; L261-L341 HydrophobicContact CD1-CD1 4.29Å; L276-L341 HydrophobicContact CD2-CD1 3.87Å; L276-L341 HydrophobicContact CD2-CD2 4.4Å; F289-L341 HydrophobicContact CB-CB 4.06Å; F289-L341 HydrophobicContact CB-CD2 4.4Å; F289-L341 HydrophobicContact CD1-CD1 4.25Å; F289-L341 HydrophobicContact CD1-CD2 3.86Å; F289-L341 HydrophobicContact CD1-CG 4.49Å; F289-L341 HydrophobicContact CD2-CD2 4.19Å; F289-L341 HydrophobicContact CE1-CD2 4.11Å; F289-L341 HydrophobicContact CE2-CD2 4.42Å; F289-L341 HydrophobicContact CG-CB 4.45Å; F289-L341 HydrophobicContact CG-CD2 3.9Å; F289-L341 HydrophobicContact CZ-CD2 4.37Å; A292-L341 HydrophobicContact CB-CD2 3.64Å; I339-L341 HydrophobicContact CG2-CD2 3.62Å; I339-L341 HydrophobicContact CG2-CG 3.95Å; L341-L348 HydrophobicContact CB-CD2 4.06Å; L341-L348 HydrophobicContact CD1-CD2 3.99Å; L341-I350 HydrophobicContact CD1-CD1 3.61Å
342	E	92.9	Very high	91.2	Very high	82 Å²	82	23.7 Å²	23.7	38%	0.383	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.9	174.6	-172	-174.3	-153.1	0	0	110	S257 F289 S290 S291 A344	S257-E342 WeakPolarHBondContact O-CA 3.1Å; F289-E342 CarbonylContact C-O 3.51Å; F289-E342 WeakPolarHBondContact CA-O 3.46Å; F289-E342 WeakPolarHBondContact CB-O 3.17Å; S290-E342 PolarHBondContact N-O 3.42Å; S290-E342 WeakPolarHBondContact OG-CG 3.26Å; S290-E342 PolarHBondContact OG-O 2.79Å; S290-E342 PolarHBondContact OG-OE2 2.99Å; S291-E342 PolarHBondContact O-N 3.33Å; S291-E342 VanDerWaalsContact OG-CB 3.22Å; S291-E342 WeakPolarHBondContact OG-CB 3.32Å; S291-E342 PolarHBondContact OG-OE2 3.5Å; E342-A344 PolarHBondContact O-N 2.84Å
343	M	88.3	Confident	91.3	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.1	-175	-58.4	177.9	71.5	0	0	111.1	W250 R252 G256 S257 V259 T345 E346 L348	W250-M343 WeakPolarHBondContact O-CE 3.27Å; R252-M343 HydrophobicContact CB-CE 3.91Å; R252-M343 HydrophobicContact CB-SD 3.9Å; R252-M343 HydrophobicContact CG-SD 4.43Å; R252-M343 PolarHBondContact NH1-O 3.06Å; G256-M343 VanDerWaalsContact O-SD 3.35Å; S257-M343 PolarHBondContact O-N 3.27Å; V259-M343 HydrophobicContact CG2-CG 4.24Å; V259-M343 HydrophobicContact CG2-SD 4.03Å; M343-T345 VanDerWaalsContact C-N 3.29Å; M343-E346 WeakPolarHBondContact CE-O 3.36Å; M343-L348 HydrophobicContact CE-CB 3.81Å; M343-L348 HydrophobicContact CG-CB 4.21Å
344	A	83.9	Confident	91.3	Very high	44 Å²	44	22 Å²	22	36%	0.364	11%	0.105	S	C	.	.	S	Bend	trans	-73.4	-25.2	174.1	0	0	0	0	0	112.5	A288 E342	A288-A344 WeakPolarHBondContact O-CB 3.4Å; A288-A344 PolarHBondContact O-N 3.37Å; E342-A344 PolarHBondContact O-N 2.84Å
345	T	81.3	Confident	91.2	Very high	26 Å²	26	22.7 Å²	22.7	16%	0.16	11%	0.108	C	C	.	.	S	Bend	trans	-129.7	-175.6	-171.4	44.6	0	0	0	0	111.6	M285 G287 M343 W347	M285-T345 WeakPolarHBondContact O-CB 3.29Å; G287-T345 VanDerWaalsContact CA-OG1 3.23Å; G287-T345 WeakPolarHBondContact CA-OG1 3.06Å; G287-T345 PolarHBondContact N-OG1 3.31Å; G287-T345 PolarHBondContact O-OG1 2.89Å; M343-T345 VanDerWaalsContact C-N 3.29Å; T345-W347 PolarHBondContact OG1-O 2.92Å
346	E	84	Confident	90.8	Very high	52 Å²	52	21.4 Å²	21.4	24%	0.243	11%	0.106	C	C	.	.	S	Bend	trans	-69.8	-34.8	176.9	177.2	63.9	179.5	0	0	112	R251 R252 S253 M285 M343	R251-E346 CarbonylContact C-O 3.34Å; R251-E346 WeakPolarHBondContact CA-O 3.36Å; R251-E346 HydrophobicContact CG-CG 4.2Å; R251-E346 WeakPolarHBondContact CG-OE1 3.44Å; R251-E346 IonicContact CZ-OE1 3.73Å; R251-E346 IonicContact NE-OE1 3.45Å; R251-E346 PolarHBondContact NE-OE1 2.97Å; R251-E346 IonicContact NH2-OE1 2.84Å; R252-E346 WeakPolarHBondContact CB-O 3.12Å; R252-E346 PolarHBondContact N-O 2.95Å; S253-E346 PolarHBondContact OG-OE1 2.95Å; M285-E346 HydrophobicContact CB-CB 4.42Å; M285-E346 PolarHBondContact O-N 2.76Å; M343-E346 WeakPolarHBondContact CE-O 3.36Å
347	W	83.3	Confident	90.2	Very high	28 Å²	28	22.4 Å²	22.4	11%	0.106	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.3	176	-70.1	89.6	0	0	0	111.5	A202 W208 W250 R251 M285 M286 G287 T345	A202-W347 HydrophobicContact CB-CH2 4.47Å; W208-W347 HydrophobicContact CE3-CD2 4.17Å; W208-W347 AromaticContact CE3-CE3 3.67Å; W208-W347 HydrophobicContact CE3-CE3 3.67Å; W208-W347 AromaticContact CE3-CH2 3.62Å; W208-W347 HydrophobicContact CE3-CH2 3.62Å; W208-W347 HydrophobicContact CE3-CZ2 4.13Å; W208-W347 AromaticContact CE3-CZ3 3.38Å; W208-W347 HydrophobicContact CE3-CZ3 3.38Å; W208-W347 AromaticContact CZ3-CD2 3.73Å; W208-W347 HydrophobicContact CZ3-CD2 3.73Å; W208-W347 AromaticContact CZ3-CE2 3.66Å; W208-W347 AromaticContact CZ3-CE3 3.73Å; W208-W347 HydrophobicContact CZ3-CE3 3.73Å; W208-W347 AromaticContact CZ3-CH2 3.63Å; W208-W347 HydrophobicContact CZ3-CH2 3.63Å; W208-W347 AromaticContact CZ3-CZ2 3.62Å; W208-W347 HydrophobicContact CZ3-CZ2 3.62Å; W208-W347 AromaticContact CZ3-CZ3 3.69Å; W208-W347 HydrophobicContact CZ3-CZ3 3.69Å; W250-W347 WeakPolarHBondContact O-CA 3.29Å; R251-W347 HydrophobicContact CB-CD2 4.08Å; R251-W347 HydrophobicContact CB-CE3 3.9Å; R251-W347 HydrophobicContact CB-CH2 3.62Å; R251-W347 HydrophobicContact CB-CZ2 3.79Å; R251-W347 HydrophobicContact CB-CZ3 3.66Å; R251-W347 VanDerWaalsContact CD-CZ2 3.48Å; R251-W347 HydrophobicContact CG-CD2 4.05Å; R251-W347 HydrophobicContact CG-CE3 4.39Å; R251-W347 HydrophobicContact CG-CH2 4Å; R251-W347 HydrophobicContact CG-CZ2 3.61Å; R251-W347 HydrophobicContact CG-CZ3 4.36Å; M285-W347 PolarHBondContact O-N 3.09Å; M286-W347 HydrophobicContact CB-CB 4.27Å; M286-W347 HydrophobicContact CG-CB 3.91Å; M286-W347 HydrophobicContact CG-CG 4.38Å; G287-W347 PolarHBondContact N-O 3.03Å; G287-W347 VanDerWaalsContact N-O 3.13Å; T345-W347 PolarHBondContact OG1-O 2.92Å
348	L	86.7	Confident	89.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.1	165.6	173.7	65.5	0	0	0	107.5	G249 W250 V259 F289 L341 M343 I350	G249-L348 VanDerWaalsContact CA-O 3.29Å; G249-L348 WeakPolarHBondContact CA-O 3.31Å; W250-L348 HydrophobicContact CE3-CD2 4.19Å; W250-L348 HydrophobicContact CE3-CG 4.24Å; W250-L348 HydrophobicContact CZ3-CD2 4.5Å; W250-L348 PolarHBondContact N-O 3.07Å; W250-L348 PolarHBondContact O-N 2.78Å; V259-L348 HydrophobicContact CB-CD2 4.16Å; V259-L348 HydrophobicContact CG2-CD2 3.99Å; F289-L348 HydrophobicContact CB-CD1 4.43Å; F289-L348 HydrophobicContact CD1-CD1 4.48Å; L341-L348 HydrophobicContact CB-CD2 4.06Å; L341-L348 HydrophobicContact CD1-CD2 3.99Å; M343-L348 HydrophobicContact CE-CB 3.81Å; M343-L348 HydrophobicContact CG-CB 4.21Å; L348-I350 HydrophobicContact CD2-CD1 4.39Å; L348-I350 HydrophobicContact CG-CG1 4.43Å
349	L	86.8	Confident	88.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.9	177.1	-60.3	-175	0	0	0	110.7	W208 F240 W247 V278 G279 F281 M286	W208-L349 HydrophobicContact CD2-CD2 4.28Å; W208-L349 HydrophobicContact CG-CD2 4.36Å; F240-L349 HydrophobicContact CE1-CD1 3.73Å; F240-L349 HydrophobicContact CZ-CD1 3.9Å; W247-L349 HydrophobicContact CD2-CB 4.46Å; W247-L349 HydrophobicContact CE3-CB 3.71Å; W247-L349 HydrophobicContact CZ3-CB 4.18Å; V278-L349 WeakPolarHBondContact CA-O 2.96Å; G279-L349 PolarHBondContact N-O 3.06Å; F281-L349 HydrophobicContact CD2-CD1 4.34Å; F281-L349 HydrophobicContact CE2-CD1 4.36Å; M286-L349 HydrophobicContact SD-CD1 3.69Å
350	I	90.2	Very high	88.1	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.6	174.6	-57.3	176.2	0	0	0	108.2	L230 V248 W250 L261 L276 H277 V278 L341 L348 L353	L230-I350 HydrophobicContact CD2-CB 4.03Å; L230-I350 HydrophobicContact CD2-CG2 3.82Å; V248-I350 PolarHBondContact N-O 3.45Å; V248-I350 PolarHBondContact O-N 2.86Å; V248-I350 VanDerWaalsContact O-O 3.06Å; W250-I350 HydrophobicContact CH2-CB 4.42Å; W250-I350 HydrophobicContact CH2-CD1 4.13Å; W250-I350 HydrophobicContact CZ3-CB 4.07Å; W250-I350 HydrophobicContact CZ3-CD1 3.69Å; W250-I350 HydrophobicContact CZ3-CG1 3.86Å; L261-I350 HydrophobicContact CD1-CD1 4.19Å; L276-I350 HydrophobicContact CD2-CD1 4.12Å; H277-I350 VanDerWaalsContact O-CA 3.32Å; H277-I350 WeakPolarHBondContact O-CA 3.35Å; V278-I350 HydrophobicContact CG1-CG1 4.33Å; L341-I350 HydrophobicContact CD1-CD1 3.61Å; L348-I350 HydrophobicContact CD2-CD1 4.39Å; L348-I350 HydrophobicContact CG-CG1 4.43Å; I350-L353 HydrophobicContact CG2-CD1 3.76Å; I350-L353 HydrophobicContact CG2-CG 4.34Å
351	S	89.3	Confident	86.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-19.8	173.3	78.2	0	0	0	0	113.7	G236 D246 H277	G236-S351 PolarHBondContact N-OG 2.72Å; D246-S351 WeakPolarHBondContact O-CB 3.29Å; H277-S351 PolarHBondContact ND1-OG 2.83Å; H277-S351 PolarHBondContact O-N 2.93Å
352	E	92.4	Very high	84.8	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	144.5	-170.2	-173.7	70.4	-131.5	0	0	110.6	G233 V234 H277 W324 K354	G233-E352 WeakPolarHBondContact CA-OE2 3.41Å; G233-E352 PolarHBondContact N-OE2 2.95Å; V234-E352 PolarHBondContact N-OE2 3Å; V234-E352 VanDerWaalsContact N-OE2 3.1Å; H277-E352 HydrophobicContact CB-CB 4Å; H277-E352 PolarHBondContact N-O 3.32Å; W324-E352 HydrophobicContact CH2-CB 3.85Å; W324-E352 HydrophobicContact CH2-CG 3.49Å; W324-E352 VanDerWaalsContact CH2-CG 3.49Å; W324-E352 HydrophobicContact CZ2-CB 4.44Å; W324-E352 HydrophobicContact CZ2-CG 4.23Å; W324-E352 HydrophobicContact CZ3-CG 4.36Å; E352-K354 HydrophobicContact CG-CG 4.39Å
353	L	95.1	Very high	82.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.2	165.4	-67.6	94.8	0	0	0	111.2	L230 Y231 L261 F263 A275 L276 I339 I350 F355	L230-L353 HydrophobicContact CB-CD1 3.83Å; L230-L353 HydrophobicContact CD1-CD1 4.23Å; L230-L353 HydrophobicContact CD2-CD1 3.89Å; L230-L353 HydrophobicContact CG-CD1 4.22Å; L230-L353 PolarHBondContact O-N 3.1Å; Y231-L353 WeakPolarHBondContact CD2-O 3.46Å; Y231-L353 WeakPolarHBondContact CE2-O 3.26Å; L261-L353 HydrophobicContact CD1-CD1 4.45Å; L261-L353 HydrophobicContact CD1-CD2 4.23Å; F263-L353 HydrophobicContact CE2-CD2 3.9Å; F263-L353 HydrophobicContact CZ-CB 4.46Å; F263-L353 HydrophobicContact CZ-CD1 4.02Å; F263-L353 HydrophobicContact CZ-CD2 3.63Å; F263-L353 HydrophobicContact CZ-CG 4.27Å; A275-L353 CarbonylContact O-C 3.49Å; A275-L353 WeakPolarHBondContact O-CA 3.47Å; L276-L353 HydrophobicContact CD2-CD2 3.62Å; L276-L353 HydrophobicContact CD2-CG 4.19Å; L276-L353 HydrophobicContact CG-CD2 3.81Å; L276-L353 HydrophobicContact CG-CG 4.1Å; I339-L353 HydrophobicContact CD1-CD2 3.98Å; I350-L353 HydrophobicContact CG2-CD1 3.76Å; I350-L353 HydrophobicContact CG2-CG 4.34Å; L353-F355 HydrophobicContact CB-CE2 4.08Å; L353-F355 HydrophobicContact CB-CZ 4.46Å; L353-F355 HydrophobicContact CD2-CZ 4.47Å
354	K	91.7	Very high	79.7	Confident	84 Å²	84	54 Å²	54	37%	0.365	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.6	176.2	-68.5	179.9	178.3	172.3	0	111.3	I274 A275 W324 E352	I274-K354 WeakPolarHBondContact CA-O 3.39Å; A275-K354 HydrophobicContact CB-CB 4.41Å; A275-K354 PolarHBondContact N-O 2.96Å; A275-K354 PolarHBondContact O-N 3Å; W324-K354 HydrophobicContact CH2-CD 3.53Å; W324-K354 HydrophobicContact CH2-CG 3.83Å; W324-K354 HydrophobicContact CZ2-CD 4.22Å; W324-K354 HydrophobicContact CZ3-CB 4.37Å; W324-K354 HydrophobicContact CZ3-CD 4.02Å; W324-K354 HydrophobicContact CZ3-CG 4.05Å; E352-K354 HydrophobicContact CG-CG 4.39Å
355	F	92.9	Very high	77.5	Confident	14 Å²	14	59.2 Å²	59.2	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	96.6	-175.7	-64.6	-91	0	0	0	110.6	Y231 F263 F265 F271 I274 I339 L353 S357	Y231-F355 AromaticContact CE2-CD2 3.89Å; Y231-F355 HydrophobicContact CE2-CD2 3.89Å; Y231-F355 HydrophobicContact CE2-CE2 4.21Å; F263-F355 HydrophobicContact CB-CE1 4.3Å; F263-F355 HydrophobicContact CB-CZ 3.96Å; F263-F355 HydrophobicContact CD1-CE1 4.49Å; F263-F355 AromaticContact CD1-CE2 3.5Å; F263-F355 HydrophobicContact CD1-CE2 3.5Å; F263-F355 AromaticContact CD1-CZ 3.4Å; F263-F355 HydrophobicContact CD1-CZ 3.4Å; F263-F355 VanDerWaalsContact CD1-CZ 3.4Å; F263-F355 HydrophobicContact CD2-CE1 4.23Å; F263-F355 HydrophobicContact CD2-CE2 4.47Å; F263-F355 AromaticContact CD2-CZ 3.56Å; F263-F355 HydrophobicContact CD2-CZ 3.56Å; F263-F355 AromaticContact CE1-CE2 3.75Å; F263-F355 HydrophobicContact CE1-CE2 3.75Å; F263-F355 AromaticContact CE1-CZ 3.75Å; F263-F355 HydrophobicContact CE1-CZ 3.75Å; F263-F355 AromaticContact CE2-CZ 3.87Å; F263-F355 HydrophobicContact CE2-CZ 3.87Å; F263-F355 HydrophobicContact CG-CE1 4.08Å; F263-F355 AromaticContact CG-CE2 3.93Å; F263-F355 HydrophobicContact CG-CE2 3.93Å; F263-F355 AromaticContact CG-CZ 3.33Å; F263-F355 HydrophobicContact CG-CZ 3.33Å; F263-F355 HydrophobicContact CZ-CE2 4.34Å; F263-F355 AromaticContact CZ-CZ 3.98Å; F263-F355 HydrophobicContact CZ-CZ 3.98Å; F265-F355 HydrophobicContact CE1-CB 4.34Å; F265-F355 HydrophobicContact CE1-CG 4.25Å; F265-F355 HydrophobicContact CE2-CD1 4.42Å; F265-F355 HydrophobicContact CZ-CB 4.18Å; F265-F355 AromaticContact CZ-CD1 3.68Å; F265-F355 HydrophobicContact CZ-CD1 3.68Å; F265-F355 HydrophobicContact CZ-CD2 4.06Å; F265-F355 HydrophobicContact CZ-CE1 4.09Å; F265-F355 HydrophobicContact CZ-CE2 4.44Å; F265-F355 AromaticContact CZ-CG 3.7Å; F265-F355 HydrophobicContact CZ-CG 3.7Å; F265-F355 HydrophobicContact CZ-CZ 4.47Å; F271-F355 HydrophobicContact CD1-CB 4.34Å; F271-F355 HydrophobicContact CD1-CD1 4.21Å; F271-F355 HydrophobicContact CE1-CB 4.08Å; F271-F355 AromaticContact CE1-CD1 3.88Å; F271-F355 HydrophobicContact CE1-CD1 3.88Å; F271-F355 HydrophobicContact CE1-CG 4.36Å; I274-F355 HydrophobicContact CD1-CD1 3.73Å; I274-F355 HydrophobicContact CD1-CE1 3.72Å; I274-F355 HydrophobicContact CG1-CD1 3.61Å; I274-F355 HydrophobicContact CG1-CE1 3.95Å; I274-F355 HydrophobicContact CG2-CD1 4.34Å; I274-F355 HydrophobicContact CG2-CE1 4.05Å; I339-F355 HydrophobicContact CD1-CE1 4.26Å; I339-F355 HydrophobicContact CD1-CZ 4.31Å; L353-F355 HydrophobicContact CB-CE2 4.08Å; L353-F355 HydrophobicContact CB-CZ 4.46Å; L353-F355 HydrophobicContact CD2-CZ 4.47Å; F355-S357 PolarHBondContact O-N 3.29Å
356	E	87.3	Confident	75	Confident	77 Å²	77	60.4 Å²	60.4	36%	0.36	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	111.5	176.1	-170.4	175	-136.3	0	0	109.5	T272 S273	T272-E356 PolarHBondContact N-O 3.36Å; S273-E356 WeakPolarHBondContact CB-OE2 3.49Å; S273-E356 PolarHBondContact N-O 2.68Å; S273-E356 PolarHBondContact O-N 3.38Å; S273-E356 VanDerWaalsContact OG-CB 3.29Å; S273-E356 WeakPolarHBondContact OG-CB 3.42Å; S273-E356 PolarHBondContact OG-OE2 2.65Å
357	S	85.8	Confident	72.3	Confident	21 Å²	21	67.1 Å²	67.1	15%	0.147	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	147.1	-170.8	61.1	0	0	0	0	113.9	R269 N270 F355	R269-S357 VanDerWaalsContact CD-OG 3.24Å; R269-S357 WeakPolarHBondContact CD-OG 3.3Å; R269-S357 PolarHBondContact NH1-O 2.94Å; R269-S357 PolarHBondContact NH1-OG 3.43Å; N270-S357 CarbonylContact O-C 3.55Å; N270-S357 WeakPolarHBondContact O-CA 3.46Å; N270-S357 WeakPolarHBondContact O-CB 3.35Å; F355-S357 PolarHBondContact O-N 3.29Å
358	T	82.9	Confident	69.7	Low	46 Å²	46	77.3 Å²	77.3	28%	0.282	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.4	172.1	55.5	0	0	0	0	111.3	R269 N270	R269-T358 CarbonylContact C-O 3.56Å; R269-T358 WeakPolarHBondContact CA-O 3.41Å; N270-T358 PolarHBondContact N-O 3.03Å; N270-T358 PolarHBondContact O-N 3.41Å
359	P	83.3	Confident	66.9	Low	87 Å²	87	88.6 Å²	88.6	57%	0.565	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	139.3	170.6	-23.4	34.3	0	0	0	111.5
360	A	80.5	Confident	64.1	Low	25 Å²	25	98.2 Å²	98.2	21%	0.207	48%	0.479	C	S	.	.			trans	-129.9	154.3	178.9	0	0	0	0	0	111.7	F268 N270 V333	F268-A360 HydrophobicContact CB-CB 4.32Å; F268-A360 VanDerWaalsContact CB-O 3.31Å; F268-A360 WeakPolarHBondContact CB-O 3.41Å; F268-A360 PolarHBondContact O-N 2.94Å; N270-A360 HydrophobicContact CB-CB 4.07Å; V333-A360 HydrophobicContact CG1-CB 3.73Å; V333-A360 HydrophobicContact CG2-CB 4.28Å
361	R	66.8	Low	61.2	Low	242 Å²	242	101.8 Å²	101.8	91%	0.913	52%	0.516	S	S	*	.			trans	-113.4	126.8	166.5	-68.7	-176	177.5	-178.8	-0.5	108.5	M363	R361-M363 PolarHBondContact O-N 2.97Å
362	M	56.5	Low	58.2	Low	101 Å²	101	108.8 Å²	108.8	50%	0.498	56%	0.559	S	S	.	*			trans	-77.4	111.1	174.4	-173.8	168.5	176.4	0	0	108.7	F268 T298	F268-M362 HydrophobicContact CD1-CB 4.36Å; F268-M362 HydrophobicContact CD2-CB 4.3Å; F268-M362 HydrophobicContact CE1-CB 4.26Å; F268-M362 HydrophobicContact CE1-SD 3.75Å; F268-M362 HydrophobicContact CE2-CB 4.2Å; F268-M362 HydrophobicContact CG-CB 4.37Å; F268-M362 HydrophobicContact CZ-CB 4.18Å; F268-M362 HydrophobicContact CZ-SD 3.68Å; T298-M362 HydrophobicContact CG2-SD 3.99Å
363	M	41	Very low	55.1	Low	166 Å²	166	116.1 Å²	116.1	82%	0.818	60%	0.598	S	S	*	*			trans	-67.8	133.4	167.4	-73.8	-170.4	169	0	0	109.1	R361 I365	R361-M363 PolarHBondContact O-N 2.97Å; M363-I365 PolarHBondContact O-N 3.5Å
364	S	32	Very low	52.2	Low	114 Å²	114	121.5 Å²	121.5	80%	0.797	63%	0.632	S	S	*	*			trans	-65.7	98.9	175.5	-175.4	0	0	0	0	110	G366	S364-G366 PolarHBondContact O-N 3.27Å; S364-G366 VanDerWaalsContact O-N 3.1Å
365	I	37	Very low	49.2	Very low	154 Å²	154	124.3 Å²	124.3	79%	0.79	66%	0.657	S	S	*	*			trans	-77.6	95.4	168.9	-64.1	179.1	0	0	0	107.1	M363	M363-I365 PolarHBondContact O-N 3.5Å
366	G	29.7	Very low	46.1	Very low	51 Å²	51	127.4 Å²	127.4	53%	0.526	69%	0.692	S	S	.	*			trans	-53.2	141.5	168.1	0	0	0	0	0	111.1	S364 R368	S364-G366 PolarHBondContact O-N 3.27Å; S364-G366 VanDerWaalsContact O-N 3.1Å; G366-R368 PolarHBondContact O-N 3.19Å
367	Q	27.8	Very low	43.3	Very low	194 Å²	194	127.7 Å²	127.7	91%	0.907	72%	0.716	S	S	*	*			trans	-50.2	103.4	-174.1	-65.7	166.7	-42.5	0	0	113	R369	Q367-R369 PolarHBondContact O-N 3.48Å
368	R	28.2	Very low	40.5	Very low	242 Å²	242	134.4 Å²	134.4	91%	0.913	75%	0.749	S	S	*	*			trans	-88.1	91.9	160.7	-80.1	-169.2	172.3	-170.2	-1.4	109.8	G366	G366-R368 PolarHBondContact O-N 3.19Å
369	R	28.8	Very low	37.9	Very low	237 Å²	237	140.5 Å²	140.5	89%	0.894	78%	0.779	S	S	*	*			trans	-65.2	147.2	158	-80.3	-174.3	171.6	-175	-1.8	109.5	Q367	Q367-R369 PolarHBondContact O-N 3.48Å
370	M	26.1	Very low	35.2	Very low	201 Å²	201	143.6 Å²	143.6	99%	0.99	79%	0.791	S	S	*	*			trans	-62.1	141.3	176.4	-65.6	175	179.4	0	0	111.6
371	G	30	Very low	33.2	Very low	75 Å²	75	147.6 Å²	147.6	77%	0.773	81%	0.814	S	S	*	*			trans	-161.1	136.5	172.2	0	0	0	0	0	109.4
372	T	26.8	Very low	31.2	Very low	149 Å²	149	141.1 Å²	141.1	91%	0.914	81%	0.806	S	S	*	*			trans	-85.2	159.1	-164.6	39.5	0	0	0	0	115.4
373	L	28.1	Very low	29.8	Very low	159 Å²	159	147 Å²	147	83%	0.832	82%	0.823	S	S	*	*			trans	-54	174.8	170.2	-73.2	158.3	0	0	0	114
374	P	33.8	Very low	29.1	Very low	112 Å²	112	147.6 Å²	147.6	73%	0.727	82%	0.821	S	S	*	*			cis	-147.1	169	20.7	35.7	-11.7	0	0	0	120.8
375	V	28.2	Very low	28.9	Very low	144 Å²	144	148.2 Å²	148.2	87%	0.873	83%	0.826	S	S	*	*			trans	44.4	125.4	140.1	-179.2	0	0	0	0	122.9
376	G	26.9	Very low	28.4	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	82%	0.822	S	S	*	*			trans	141.4	128.2	137	0	0	0	0	0	118.8
377	G	28.7	Very low	28.1	Very low	83 Å²	83	149.3 Å²	149.3	86%	0.856	83%	0.833	S	S	*	*			trans	120.4	122.4	156.6	0	0	0	0	0	118.1
378	L	26.6	Very low	28	Very low	162 Å²	162	145 Å²	145	85%	0.848	83%	0.831	S	S	*	*			trans	-89.5	149.6	173.3	-73.7	78.2	0	0	0	112.1
379	L	29.7	Very low	27.8	Very low	174 Å²	174	140.1 Å²	140.1	91%	0.911	82%	0.821	S	S	*	*				171.9	151	114.2	-88.8	163.7	0	0	0	113.4
380	N	27.3	Very low	27.6	Very low	153 Å²	153	136.6 Å²	136.6	82%	0.818	82%	0.819	S	S	*	*			trans	-86.9	178.9	-177.7	-100.4	-18.4	0	0	0	112.6
381	P	37.9	Very low	27.7	Very low	108 Å²	108	132 Å²	132	70%	0.701	81%	0.807	S	S	*	*			cis	-137	-171	-40.6	39.3	-21.9	0	0	0	113.2
382	S	24.9	Very low	27.6	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	81%	0.81	S	S	*	*			trans	85.5	108.7	163.3	82.7	0	0	0	0	119.7
383	R	26.7	Very low	27.9	Very low	225 Å²	225	138.4 Å²	138.4	85%	0.849	80%	0.803	S	S	*	*				171.9	133.2	123.4	-96.1	172.4	177.2	-170.6	0.6	111.8
384	K	26	Very low	28.2	Very low	178 Å²	178	138.6 Å²	138.6	77%	0.774	80%	0.797	S	S	*	*			trans	45.9	89	146.9	-55.5	-177.7	-180	-171.7	0	117.7	S386	K384-S386 PolarHBondContact O-N 3.01Å
385	S	27.1	Very low	28.7	Very low	128 Å²	128	137.4 Å²	137.4	90%	0.895	79%	0.788	S	S	*	*			trans	-77.2	95.6	152.5	49.2	0	0	0	0	109.4
386	S	26.8	Very low	29.7	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	76%	0.763	S	S	*	*			trans	-64.5	154.8	176.9	-53.4	0	0	0	0	112.7	K384 A388	K384-S386 PolarHBondContact O-N 3.01Å; S386-A388 PolarHBondContact O-N 3.03Å
387	V	24.2	Very low	31.2	Very low	126 Å²	126	134.2 Å²	134.2	76%	0.764	76%	0.755	S	S	*	*			trans	-50.9	120.6	165.4	177.7	0	0	0	0	110	I389	V387-I389 HydrophobicContact CG1-CG1 4.05Å; V387-I389 PolarHBondContact O-N 3.41Å; V387-I389 VanDerWaalsContact O-N 3.13Å
388	A	25.3	Very low	33	Very low	103 Å²	103	136.1 Å²	136.1	85%	0.851	74%	0.741	S	S	*	*			trans	-77.1	93.6	165.2	0	0	0	0	0	108.1	S386	S386-A388 PolarHBondContact O-N 3.03Å
389	I	24.2	Very low	35.1	Very low	140 Å²	140	135 Å²	135	72%	0.718	73%	0.727	S	S	*	*			trans	-62.4	145.8	175.7	-65.4	171.3	0	0	0	109.4	V387 S391	V387-I389 HydrophobicContact CG1-CG1 4.05Å; V387-I389 PolarHBondContact O-N 3.41Å; V387-I389 VanDerWaalsContact O-N 3.13Å; I389-S391 PolarHBondContact O-N 3.45Å
390	L	24.4	Very low	37.2	Very low	162 Å²	162	129.8 Å²	129.8	85%	0.848	70%	0.702	S	S	*	*			trans	-43.3	103.4	170	-74.7	132.4	0	0	0	112.3
391	S	27.3	Very low	39.6	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	69%	0.688	S	S	*	*			trans	-86.9	103.3	155.8	56.5	0	0	0	0	107.8	I389 D393	I389-S391 PolarHBondContact O-N 3.45Å; S391-D393 PolarHBondContact O-N 3.24Å
392	Y	28.2	Very low	41.6	Very low	217 Å²	217	125.8 Å²	125.8	85%	0.851	68%	0.683	S	S	*	*			trans	-55.6	126.6	163.5	-118.3	-102	0	0	0	108.2	F394	Y392-F394 PolarHBondContact O-N 3.04Å
393	D	34.7	Very low	44.1	Very low	142 Å²	142	123.1 Å²	123.1	76%	0.759	67%	0.667	S	S	*	*			trans	-61	130.6	177.3	-83.7	-46	0	0	0	110.1	S391 V395	S391-D393 PolarHBondContact O-N 3.24Å; D393-V395 PolarHBondContact O-N 3.41Å
394	F	33.9	Very low	47.1	Very low	163 Å²	163	116.8 Å²	116.8	72%	0.715	65%	0.649	S	S	*	*			trans	-65.4	100.8	-177.5	-178.6	-96.6	0	0	0	109.8	Y392 P396 T397	Y392-F394 PolarHBondContact O-N 3.04Å; F394-P396 WeakPolarHBondContact O-CD 3.05Å; F394-T397 HydrophobicContact CZ-CG2 4Å
395	V	44.4	Very low	50	Low	87 Å²	87	109.9 Å²	109.9	53%	0.527	63%	0.628	S	S	.	*			trans	-58.2	120.6	166.1	-177.9	0	0	0	0	106.9	D393 T397 V400	D393-V395 PolarHBondContact O-N 3.41Å; V395-T397 PolarHBondContact O-N 3.37Å; V395-V400 HydrophobicContact CB-CG2 3.97Å; V395-V400 HydrophobicContact CG1-CG2 3.65Å
396	P	48.1	Very low	53	Low	55 Å²	55	107.8 Å²	107.8	36%	0.357	61%	0.61	S	S	.	*			trans	-59.7	133.9	-176.3	-18.3	28.3	0	0	0	109.4	F394 E398 Y399	F394-P396 WeakPolarHBondContact O-CD 3.05Å; P396-E398 HydrophobicContact CB-CG 4.01Å; P396-E398 PolarHBondContact O-N 2.81Å; P396-Y399 HydrophobicContact CB-CD2 3.81Å; P396-Y399 HydrophobicContact CB-CE2 4.11Å; P396-Y399 HydrophobicContact CG-CD2 3.86Å; P396-Y399 HydrophobicContact CG-CE2 4.01Å; P396-Y399 PolarHBondContact O-N 2.92Å
397	T	58.1	Low	56.1	Low	101 Å²	101	107.6 Å²	107.6	62%	0.62	60%	0.6	S	S	*	*	H	α-helix	trans	-57.3	-24.4	-168	38.6	0	0	0	0	114	F394 V395 V400 A401	F394-T397 HydrophobicContact CZ-CG2 4Å; V395-T397 PolarHBondContact O-N 3.37Å; T397-V400 PolarHBondContact O-N 2.84Å; T397-A401 WeakPolarHBondContact O-CB 3.37Å; T397-A401 PolarHBondContact O-N 3.37Å
398	E	67.8	Low	59.4	Low	122 Å²	122	106.9 Å²	106.9	57%	0.57	59%	0.591	S	S	*	*	H	α-helix	trans	-60.9	-40.4	170.8	59.3	-166.9	-173.1	0	0	113.9	P396 L402	P396-E398 HydrophobicContact CB-CG 4.01Å; P396-E398 PolarHBondContact O-N 2.81Å; E398-L402 WeakPolarHBondContact O-CB 3.46Å; E398-L402 PolarHBondContact O-N 2.84Å
399	Y	71	Confident	62.6	Low	140 Å²	140	106.4 Å²	106.4	55%	0.549	58%	0.577	S	S	.	*	H	α-helix	trans	-74.7	-33.5	177.4	-64.1	-83	0	0	0	112.1	P396 L402 A403	P396-Y399 HydrophobicContact CB-CD2 3.81Å; P396-Y399 HydrophobicContact CB-CE2 4.11Å; P396-Y399 HydrophobicContact CG-CD2 3.86Å; P396-Y399 HydrophobicContact CG-CE2 4.01Å; P396-Y399 PolarHBondContact O-N 2.92Å; Y399-L402 PolarHBondContact O-N 2.87Å; Y399-A403 WeakPolarHBondContact O-CB 3.37Å; Y399-A403 PolarHBondContact O-N 2.89Å
400	V	73.5	Confident	65.9	Low	64 Å²	64	104.6 Å²	104.6	39%	0.388	57%	0.569	S	S	.	*	H	α-helix	trans	-66.2	-43.4	173.5	-175.7	0	0	0	0	110.2	V395 T397 A403 I404	V395-V400 HydrophobicContact CB-CG2 3.97Å; V395-V400 HydrophobicContact CG1-CG2 3.65Å; T397-V400 PolarHBondContact O-N 2.84Å; V400-A403 PolarHBondContact O-N 3.26Å; V400-I404 HydrophobicContact CG1-CD1 3.91Å; V400-I404 WeakPolarHBondContact O-CB 2.98Å; V400-I404 VanDerWaalsContact O-CG1 3.3Å; V400-I404 WeakPolarHBondContact O-CG1 3.25Å; V400-I404 PolarHBondContact O-N 3.18Å
401	A	77.5	Confident	69.1	Low	63 Å²	63	101.7 Å²	101.7	52%	0.521	55%	0.553	S	S	.	*	H	α-helix	trans	-62.6	-42.1	175	0	0	0	0	0	112.3	T397 G405	T397-A401 WeakPolarHBondContact O-CB 3.37Å; T397-A401 PolarHBondContact O-N 3.37Å; A401-G405 PolarHBondContact O-N 2.87Å
402	L	79.2	Confident	72.2	Confident	114 Å²	114	98.2 Å²	98.2	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-62.4	-45.7	173.7	-90.6	162.3	0	0	0	112.5	E398 Y399 G405 V406	E398-L402 WeakPolarHBondContact O-CB 3.46Å; E398-L402 PolarHBondContact O-N 2.84Å; Y399-L402 PolarHBondContact O-N 2.87Å; L402-G405 PolarHBondContact O-N 2.99Å; L402-V406 WeakPolarHBondContact O-CG2 3.26Å; L402-V406 PolarHBondContact O-N 3.43Å
403	A	78.4	Confident	75.2	Confident	50 Å²	50	93.5 Å²	93.5	41%	0.413	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-44.5	178.2	0	0	0	0	0	111.9	Y399 V400 G405 V406 I407	Y399-A403 WeakPolarHBondContact O-CB 3.37Å; Y399-A403 PolarHBondContact O-N 2.89Å; V400-A403 PolarHBondContact O-N 3.26Å; A403-G405 VanDerWaalsContact C-N 3.34Å; A403-G405 PolarHBondContact O-N 2.96Å; A403-V406 PolarHBondContact O-N 2.72Å; A403-I407 VanDerWaalsContact O-CG1 3.28Å; A403-I407 WeakPolarHBondContact O-CG1 3.39Å; A403-I407 PolarHBondContact O-N 2.88Å
404	I	88.3	Confident	77.9	Confident	92 Å²	92	88.7 Å²	88.7	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-43	174.1	-67.9	168.4	0	0	0	110.5	V400 V406 I407 L408	V400-I404 HydrophobicContact CG1-CD1 3.91Å; V400-I404 WeakPolarHBondContact O-CB 2.98Å; V400-I404 VanDerWaalsContact O-CG1 3.3Å; V400-I404 WeakPolarHBondContact O-CG1 3.25Å; V400-I404 PolarHBondContact O-N 3.18Å; I404-V406 PolarHBondContact O-N 3.36Å; I404-I407 PolarHBondContact O-N 3.41Å; I404-L408 HydrophobicContact CG2-CD1 3.89Å; I404-L408 HydrophobicContact CG2-CG 4.31Å; I404-L408 WeakPolarHBondContact O-CB 3.4Å; I404-L408 VanDerWaalsContact O-CG 3.31Å; I404-L408 WeakPolarHBondContact O-CG 3.48Å; I404-L408 PolarHBondContact O-N 2.88Å
405	G	87.8	Confident	80.6	Confident	33 Å²	33	84.8 Å²	84.8	34%	0.34	49%	0.494	S	S	.	.	H	α-helix	trans	-58.6	-46.6	176	0	0	0	0	0	113	A401 L402 A403 L408 V409	A401-G405 PolarHBondContact O-N 2.87Å; L402-G405 PolarHBondContact O-N 2.99Å; A403-G405 VanDerWaalsContact C-N 3.34Å; A403-G405 PolarHBondContact O-N 2.96Å; G405-L408 PolarHBondContact O-N 2.96Å; G405-V409 WeakPolarHBondContact O-CG2 3.39Å; G405-V409 PolarHBondContact O-N 3.47Å
406	V	90.6	Very high	82.9	Confident	84 Å²	84	85 Å²	85	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176.3	172.4	0	0	0	0	111.3	L402 A403 I404 L408 V409 L410	L402-V406 WeakPolarHBondContact O-CG2 3.26Å; L402-V406 PolarHBondContact O-N 3.43Å; A403-V406 PolarHBondContact O-N 2.72Å; I404-V406 PolarHBondContact O-N 3.36Å; V406-L408 PolarHBondContact O-N 3.36Å; V406-V409 PolarHBondContact O-N 3.22Å; V406-L410 HydrophobicContact CG1-CD1 4.02Å; V406-L410 HydrophobicContact CG1-CG 4.43Å; V406-L410 WeakPolarHBondContact O-CG 3.36Å; V406-L410 PolarHBondContact O-N 3.01Å
407	I	91.4	Very high	85	Confident	97 Å²	97	89.7 Å²	89.7	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-43.4	176.8	-69.7	165.7	0	0	0	111	A403 I404 V409 L410 I411	A403-I407 VanDerWaalsContact O-CG1 3.28Å; A403-I407 WeakPolarHBondContact O-CG1 3.39Å; A403-I407 PolarHBondContact O-N 2.88Å; I404-I407 PolarHBondContact O-N 3.41Å; I407-V409 PolarHBondContact O-N 3.31Å; I407-L410 PolarHBondContact O-N 3.5Å; I407-I411 HydrophobicContact CG2-CD1 3.77Å; I407-I411 HydrophobicContact CG2-CG1 4.47Å; I407-I411 VanDerWaalsContact O-CG1 3.3Å; I407-I411 WeakPolarHBondContact O-CG1 3.32Å; I407-I411 PolarHBondContact O-N 2.9Å
408	L	93.1	Very high	86.6	Confident	112 Å²	112	89.5 Å²	89.5	59%	0.586	51%	0.505	S	S	*	.	H	α-helix	trans	-64.7	-38	176.4	-71.5	172.8	0	0	0	112.4	I404 G405 V406 I411 G412	I404-L408 HydrophobicContact CG2-CD1 3.89Å; I404-L408 HydrophobicContact CG2-CG 4.31Å; I404-L408 WeakPolarHBondContact O-CB 3.4Å; I404-L408 VanDerWaalsContact O-CG 3.31Å; I404-L408 WeakPolarHBondContact O-CG 3.48Å; I404-L408 PolarHBondContact O-N 2.88Å; G405-L408 PolarHBondContact O-N 2.96Å; V406-L408 PolarHBondContact O-N 3.36Å; L408-I411 PolarHBondContact O-N 2.86Å; L408-G412 PolarHBondContact O-N 2.98Å
409	V	93.1	Very high	87.7	Confident	92 Å²	92	86.1 Å²	86.1	56%	0.558	50%	0.499	S	S	*	.	H	α-helix	trans	-65.4	-41.6	173.4	169.9	0	0	0	0	111.3	G405 V406 I407 G412 M413	G405-V409 WeakPolarHBondContact O-CG2 3.39Å; G405-V409 PolarHBondContact O-N 3.47Å; V406-V409 PolarHBondContact O-N 3.22Å; I407-V409 PolarHBondContact O-N 3.31Å; V409-G412 PolarHBondContact O-N 3.46Å; V409-M413 WeakPolarHBondContact O-CG 3.29Å; V409-M413 PolarHBondContact O-N 3.14Å
410	L	92.9	Very high	88.7	Confident	103 Å²	103	82.8 Å²	82.8	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-40.8	176.7	-70.6	172	0	0	0	112.2	V406 I407 G412 M413 G414	V406-L410 HydrophobicContact CG1-CD1 4.02Å; V406-L410 HydrophobicContact CG1-CG 4.43Å; V406-L410 WeakPolarHBondContact O-CG 3.36Å; V406-L410 PolarHBondContact O-N 3.01Å; I407-L410 PolarHBondContact O-N 3.5Å; L410-G412 VanDerWaalsContact C-N 3.35Å; L410-M413 HydrophobicContact CD2-CE 4.2Å; L410-M413 PolarHBondContact O-N 3Å; L410-G414 PolarHBondContact O-N 2.78Å
411	I	92.6	Very high	89.6	Confident	100 Å²	100	86 Å²	86	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-39.5	172.5	-67.2	167.2	0	0	0	110.7	I407 L408 G414 T415	I407-I411 HydrophobicContact CG2-CD1 3.77Å; I407-I411 HydrophobicContact CG2-CG1 4.47Å; I407-I411 VanDerWaalsContact O-CG1 3.3Å; I407-I411 WeakPolarHBondContact O-CG1 3.32Å; I407-I411 PolarHBondContact O-N 2.9Å; L408-I411 PolarHBondContact O-N 2.86Å; I411-G414 PolarHBondContact O-N 2.98Å; I411-T415 HydrophobicContact CG2-CG2 4.47Å; I411-T415 WeakPolarHBondContact O-CG2 3.25Å; I411-T415 PolarHBondContact O-N 2.88Å; I411-T415 PolarHBondContact O-OG1 2.98Å
412	G	91.4	Very high	90.2	Very high	31 Å²	31	87.1 Å²	87.1	32%	0.32	50%	0.495	S	S	.	.	H	α-helix	trans	-60	-48.3	173	0	0	0	0	0	112.5	L408 V409 L410 G414 T415 V416	L408-G412 PolarHBondContact O-N 2.98Å; V409-G412 PolarHBondContact O-N 3.46Å; L410-G412 VanDerWaalsContact C-N 3.35Å; G412-G414 PolarHBondContact O-N 3.08Å; G412-T415 PolarHBondContact O-N 3.14Å; G412-T415 PolarHBondContact O-OG1 3.21Å; G412-V416 WeakPolarHBondContact O-CG2 3.33Å; G412-V416 PolarHBondContact O-N 3.28Å
413	M	92.1	Very high	90.7	Very high	119 Å²	119	85.6 Å²	85.6	59%	0.586	49%	0.491	S	S	*	.	H	α-helix	trans	-64.7	-39.2	175.3	-68.5	-149.7	-61.2	0	0	112.2	V409 L410 V416 F417	V409-M413 WeakPolarHBondContact O-CG 3.29Å; V409-M413 PolarHBondContact O-N 3.14Å; L410-M413 HydrophobicContact CD2-CE 4.2Å; L410-M413 PolarHBondContact O-N 3Å; M413-V416 PolarHBondContact O-N 2.73Å; M413-F417 VanDerWaalsContact O-CB 3.29Å; M413-F417 WeakPolarHBondContact O-CB 3.31Å; M413-F417 PolarHBondContact O-N 3.31Å
414	G	90.4	Very high	91	Very high	41 Å²	41	91.8 Å²	91.8	42%	0.423	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.8	0	0	0	0	0	112.9	L410 I411 G412 F417 L418	L410-G414 PolarHBondContact O-N 2.78Å; I411-G414 PolarHBondContact O-N 2.98Å; G412-G414 PolarHBondContact O-N 3.08Å; G414-F417 PolarHBondContact O-N 3.17Å; G414-L418 VanDerWaalsContact O-CB 3.32Å; G414-L418 WeakPolarHBondContact O-CB 3.34Å; G414-L418 PolarHBondContact O-N 3.27Å
415	T	91.5	Very high	90.7	Very high	80 Å²	80	90.9 Å²	90.9	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-70	-37.8	176.8	50.1	0	0	0	0	112.4	I411 G412 L418 A419	I411-T415 HydrophobicContact CG2-CG2 4.47Å; I411-T415 WeakPolarHBondContact O-CG2 3.25Å; I411-T415 PolarHBondContact O-N 2.88Å; I411-T415 PolarHBondContact O-OG1 2.98Å; G412-T415 PolarHBondContact O-N 3.14Å; G412-T415 PolarHBondContact O-OG1 3.21Å; T415-L418 PolarHBondContact O-N 3.11Å; T415-A419 VanDerWaalsContact O-CB 3.31Å; T415-A419 WeakPolarHBondContact O-CB 3.43Å; T415-A419 PolarHBondContact O-N 2.91Å
416	V	92.3	Very high	90.3	Very high	93 Å²	93	97.1 Å²	97.1	56%	0.564	52%	0.515	S	S	*	.	H	α-helix	trans	-64.4	-43.6	171	171.1	0	0	0	0	111.3	G412 M413 A419 V420	G412-V416 WeakPolarHBondContact O-CG2 3.33Å; G412-V416 PolarHBondContact O-N 3.28Å; M413-V416 PolarHBondContact O-N 2.73Å; V416-A419 PolarHBondContact O-N 3.29Å; V416-V420 HydrophobicContact CG1-CG2 4.47Å; V416-V420 WeakPolarHBondContact O-CB 3.46Å; V416-V420 WeakPolarHBondContact O-CG2 3.37Å; V416-V420 PolarHBondContact O-N 3.23Å
417	F	92.9	Very high	89.6	Confident	153 Å²	153	102.4 Å²	102.4	67%	0.671	53%	0.526	S	S	*	.	H	α-helix	trans	-63.8	-42.8	177.3	-168.5	-90.2	0	0	0	111.6	M413 G414 V420 Y421	M413-F417 VanDerWaalsContact O-CB 3.29Å; M413-F417 WeakPolarHBondContact O-CB 3.31Å; M413-F417 PolarHBondContact O-N 3.31Å; G414-F417 PolarHBondContact O-N 3.17Å; F417-V420 PolarHBondContact O-N 3.26Å; F417-Y421 VanDerWaalsContact O-CB 3.3Å; F417-Y421 WeakPolarHBondContact O-CB 3.47Å; F417-Y421 PolarHBondContact O-N 3.15Å
418	L	91.4	Very high	88.5	Confident	96 Å²	96	104 Å²	104	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-42.2	174	-175.9	63.4	0	0	0	111.6	G414 T415 Y421 L422	G414-L418 VanDerWaalsContact O-CB 3.32Å; G414-L418 WeakPolarHBondContact O-CB 3.34Å; G414-L418 PolarHBondContact O-N 3.27Å; T415-L418 PolarHBondContact O-N 3.11Å; L418-Y421 PolarHBondContact O-N 3.02Å; L418-L422 HydrophobicContact CD1-CD1 4.31Å; L418-L422 HydrophobicContact CD1-CG 4.28Å; L418-L422 HydrophobicContact CG-CD1 4.03Å; L418-L422 HydrophobicContact CG-CG 4.41Å; L418-L422 WeakPolarHBondContact O-CB 3.49Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.44Å; L418-L422 PolarHBondContact O-N 3.34Å
419	A	91.3	Very high	87.2	Confident	52 Å²	52	102.7 Å²	102.7	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-44.1	175.2	0	0	0	0	0	111.8	T415 V416 Y421 L422 V423	T415-A419 VanDerWaalsContact O-CB 3.31Å; T415-A419 WeakPolarHBondContact O-CB 3.43Å; T415-A419 PolarHBondContact O-N 2.91Å; V416-A419 PolarHBondContact O-N 3.29Å; A419-Y421 VanDerWaalsContact C-N 3.35Å; A419-L422 PolarHBondContact O-N 3.14Å; A419-V423 WeakPolarHBondContact O-CB 3.49Å; A419-V423 VanDerWaalsContact O-CG2 3.25Å; A419-V423 WeakPolarHBondContact O-CG2 3.44Å; A419-V423 PolarHBondContact O-N 3.36Å
420	V	91.9	Very high	85.7	Confident	70 Å²	70	101.1 Å²	101.1	42%	0.424	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-40	174.7	169.9	0	0	0	0	111.3	V416 F417 R424	V416-V420 HydrophobicContact CG1-CG2 4.47Å; V416-V420 WeakPolarHBondContact O-CB 3.46Å; V416-V420 WeakPolarHBondContact O-CG2 3.37Å; V416-V420 PolarHBondContact O-N 3.23Å; F417-V420 PolarHBondContact O-N 3.26Å; V420-R424 WeakPolarHBondContact O-CB 3.07Å; V420-R424 WeakPolarHBondContact O-CG 3.37Å; V420-R424 PolarHBondContact O-N 2.79Å
421	Y	90.9	Very high	83.8	Confident	130 Å²	130	98.6 Å²	98.6	51%	0.51	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-50.2	175.1	179	-90.4	0	0	0	111.4	F417 L418 A419 V423 R424 Q425	F417-Y421 VanDerWaalsContact O-CB 3.3Å; F417-Y421 WeakPolarHBondContact O-CB 3.47Å; F417-Y421 PolarHBondContact O-N 3.15Å; L418-Y421 PolarHBondContact O-N 3.02Å; A419-Y421 VanDerWaalsContact C-N 3.35Å; Y421-V423 PolarHBondContact O-N 3.5Å; Y421-R424 CarbonylContact O-C 3.6Å; Y421-R424 WeakPolarHBondContact O-CB 3.42Å; Y421-R424 PolarHBondContact O-N 3.15Å; Y421-Q425 WeakPolarHBondContact O-CB 3.42Å; Y421-Q425 PolarHBondContact O-N 3.45Å
422	L	91.3	Very high	81.7	Confident	87 Å²	87	101.2 Å²	101.2	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-38	178.2	-69.6	172.6	0	0	0	112	L418 A419 Q425 K426	L418-L422 HydrophobicContact CD1-CD1 4.31Å; L418-L422 HydrophobicContact CD1-CG 4.28Å; L418-L422 HydrophobicContact CG-CD1 4.03Å; L418-L422 HydrophobicContact CG-CG 4.41Å; L418-L422 WeakPolarHBondContact O-CB 3.49Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.44Å; L418-L422 PolarHBondContact O-N 3.34Å; A419-L422 PolarHBondContact O-N 3.14Å; L422-Q425 PolarHBondContact O-N 3.27Å; L422-K426 VanDerWaalsContact O-CB 3.27Å; L422-K426 WeakPolarHBondContact O-CB 3.07Å; L422-K426 PolarHBondContact O-N 2.79Å
423	V	88.2	Confident	79.3	Confident	83 Å²	83	107.3 Å²	107.3	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-40	173.2	169.1	0	0	0	0	111.3	A419 Y421 K426 R427	A419-V423 WeakPolarHBondContact O-CB 3.49Å; A419-V423 VanDerWaalsContact O-CG2 3.25Å; A419-V423 WeakPolarHBondContact O-CG2 3.44Å; A419-V423 PolarHBondContact O-N 3.36Å; Y421-V423 PolarHBondContact O-N 3.5Å; V423-K426 PolarHBondContact O-N 3.28Å; V423-R427 WeakPolarHBondContact O-CB 3.36Å; V423-R427 WeakPolarHBondContact O-CG 3.42Å; V423-R427 PolarHBondContact O-N 3.36Å
424	R	85.2	Confident	76.8	Confident	179 Å²	179	112.7 Å²	112.7	68%	0.675	56%	0.563	S	S	*	*	H	α-helix	trans	-63	-46.1	172.3	-86	-179.8	155.8	157.7	-5	111.5	V420 Y421 K426 R427 M428	V420-R424 WeakPolarHBondContact O-CB 3.07Å; V420-R424 WeakPolarHBondContact O-CG 3.37Å; V420-R424 PolarHBondContact O-N 2.79Å; Y421-R424 CarbonylContact O-C 3.6Å; Y421-R424 WeakPolarHBondContact O-CB 3.42Å; Y421-R424 PolarHBondContact O-N 3.15Å; R424-K426 PolarHBondContact O-N 3.02Å; R424-R427 PolarHBondContact O-N 3.01Å; R424-M428 WeakPolarHBondContact O-CG 3.37Å; R424-M428 PolarHBondContact O-N 3.07Å
425	Q	82.9	Confident	74.1	Confident	73 Å²	73	121.8 Å²	121.8	34%	0.341	59%	0.585	S	S	.	*	H	α-helix	trans	-61.6	-43.4	177.2	-166.5	-178.4	17.7	0	0	111.2	Y421 L422 R427 M428 N429	Y421-Q425 WeakPolarHBondContact O-CB 3.42Å; Y421-Q425 PolarHBondContact O-N 3.45Å; L422-Q425 PolarHBondContact O-N 3.27Å; Q425-R427 PolarHBondContact O-N 3.42Å; Q425-M428 PolarHBondContact O-N 3.39Å; Q425-N429 WeakPolarHBondContact O-CB 3.37Å; Q425-N429 VanDerWaalsContact O-CG 3.32Å; Q425-N429 PolarHBondContact O-N 3.05Å
426	K	79.4	Confident	71.1	Confident	164 Å²	164	122.4 Å²	122.4	71%	0.713	59%	0.592	S	S	*	*	H	α-helix	trans	-65.6	-35.7	175.8	-157.7	171.4	-172.1	177.3	0	112.2	L422 V423 R424 A430	L422-K426 VanDerWaalsContact O-CB 3.27Å; L422-K426 WeakPolarHBondContact O-CB 3.07Å; L422-K426 PolarHBondContact O-N 2.79Å; V423-K426 PolarHBondContact O-N 3.28Å; R424-K426 PolarHBondContact O-N 3.02Å; K426-A430 VanDerWaalsContact O-CB 3.28Å; K426-A430 WeakPolarHBondContact O-CB 3.41Å; K426-A430 PolarHBondContact O-N 3.47Å
427	R	75.7	Confident	68.1	Low	195 Å²	195	127 Å²	127	74%	0.736	61%	0.607	S	S	*	*	H	α-helix	trans	-67.2	-39.7	170.3	-77.8	-177	177.1	-171.7	0.4	112.9	V423 R424 Q425 G431	V423-R427 WeakPolarHBondContact O-CB 3.36Å; V423-R427 WeakPolarHBondContact O-CG 3.42Å; V423-R427 PolarHBondContact O-N 3.36Å; R424-R427 PolarHBondContact O-N 3.01Å; Q425-R427 PolarHBondContact O-N 3.42Å; R427-G431 PolarHBondContact O-N 2.75Å
428	M	68.9	Low	65.1	Low	131 Å²	131	128.8 Å²	128.8	65%	0.645	62%	0.62	S	S	*	*	H	α-helix	trans	-66.6	-39.9	174.8	-68	-159.1	-50	0	0	112	R424 Q425 G431 K432	R424-M428 WeakPolarHBondContact O-CG 3.37Å; R424-M428 PolarHBondContact O-N 3.07Å; Q425-M428 PolarHBondContact O-N 3.39Å; M428-G431 WeakPolarHBondContact O-CA 3.49Å; M428-G431 PolarHBondContact O-N 2.82Å; M428-G431 VanDerWaalsContact O-N 3.16Å; M428-K432 PolarHBondContact O-N 2.82Å; M428-K432 VanDerWaalsContact O-N 3.1Å
429	N	65.3	Low	62.3	Low	85 Å²	85	128.4 Å²	128.4	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-70	-41.3	178.3	-69.8	-2.9	0	0	0	111.6	Q425 G431 K432 E433	Q425-N429 WeakPolarHBondContact O-CB 3.37Å; Q425-N429 VanDerWaalsContact O-CG 3.32Å; Q425-N429 PolarHBondContact O-N 3.05Å; N429-G431 PolarHBondContact O-N 3.19Å; N429-K432 WeakPolarHBondContact O-CA 3.39Å; N429-K432 PolarHBondContact O-N 3.04Å; N429-E433 PolarHBondContact O-N 3.36Å
430	A	60.7	Low	59.4	Low	58 Å²	58	131.4 Å²	131.4	48%	0.479	65%	0.646	S	S	.	*	H	α-helix	trans	-61.7	-24.8	169.8	0	0	0	0	0	113.1	K426	K426-A430 VanDerWaalsContact O-CB 3.28Å; K426-A430 WeakPolarHBondContact O-CB 3.41Å; K426-A430 PolarHBondContact O-N 3.47Å
431	G	52.5	Low	56.6	Low	50 Å²	50	135.6 Å²	135.6	52%	0.515	66%	0.664	S	S	.	*	H	α-helix	trans	-75.5	-25.1	169.5	0	0	0	0	0	114.4	R427 M428 N429	R427-G431 PolarHBondContact O-N 2.75Å; M428-G431 WeakPolarHBondContact O-CA 3.49Å; M428-G431 PolarHBondContact O-N 2.82Å; M428-G431 VanDerWaalsContact O-N 3.16Å; N429-G431 PolarHBondContact O-N 3.19Å
432	K	49	Very low	53.5	Low	156 Å²	156	140 Å²	140	68%	0.678	68%	0.681	S	S	*	*	H	α-helix	trans	-84.6	-33	176.6	-92.5	-178.4	170.4	-179.3	0	113.3	M428 N429 R434 R435 S436	M428-K432 PolarHBondContact O-N 2.82Å; M428-K432 VanDerWaalsContact O-N 3.1Å; N429-K432 WeakPolarHBondContact O-CA 3.39Å; N429-K432 PolarHBondContact O-N 3.04Å; K432-R434 PolarHBondContact O-N 2.91Å; K432-R435 PolarHBondContact O-N 3.27Å; K432-R435 VanDerWaalsContact O-N 3.12Å; K432-S436 PolarHBondContact O-OG 2.79Å
433	E	41.4	Very low	50.6	Low	158 Å²	158	139.2 Å²	139.2	74%	0.738	69%	0.688	S	S	*	*	H	α-helix	trans	-67.9	-20.1	176.2	-73.3	-179.6	147.1	0	0	113.3	N429 R435	N429-E433 PolarHBondContact O-N 3.36Å; E433-R435 VanDerWaalsContact C-N 3.28Å; E433-R435 PolarHBondContact O-N 3.44Å
434	R	39.5	Very low	47.7	Very low	232 Å²	232	145.3 Å²	145.3	88%	0.875	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	7.8	170.9	-88.7	-173.5	172.4	-171.4	-2.2	115.5	K432	K432-R434 PolarHBondContact O-N 2.91Å
435	R	34.1	Very low	44.9	Very low	232 Å²	232	143 Å²	143	88%	0.875	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	17.2	176.7	-101.7	-178.9	174.7	177	-2.1	114.7	K432 E433	K432-R435 PolarHBondContact O-N 3.27Å; K432-R435 VanDerWaalsContact O-N 3.12Å; E433-R435 VanDerWaalsContact C-N 3.28Å; E433-R435 PolarHBondContact O-N 3.44Å
436	S	28.3	Very low	42.3	Very low	93 Å²	93	144.7 Å²	144.7	65%	0.65	72%	0.723	S	S	*	*			trans	-113.7	50.4	-176.2	-55.2	0	0	0	0	113	K432	K432-S436 PolarHBondContact O-OG 2.79Å
437	H	29	Very low	40	Very low	189 Å²	189	145 Å²	145	88%	0.875	73%	0.731	S	S	*	*			trans	-132.9	69.5	169	-92.6	-74.2	0	0	0	110.8
438	M	30.6	Very low	37.8	Very low	191 Å²	191	140 Å²	140	94%	0.941	73%	0.732	S	S	*	*			trans	-156.2	107.9	154.5	-112.7	175.3	176.4	0	0	107.7
439	A	31.2	Very low	36.2	Very low	89 Å²	89	139.3 Å²	139.3	74%	0.736	74%	0.738	S	S	*	*			trans	-86.4	138.5	-179.3	0	0	0	0	0	110.6	I441	A439-I441 PolarHBondContact O-N 3.45Å
440	P	30.4	Very low	34.4	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	76%	0.759	S	S	*	*			trans	-82.5	108.1	164.4	31.8	-28.2	0	0	0	109
441	I	33	Very low	32.9	Very low	157 Å²	157	142.9 Å²	142.9	81%	0.805	77%	0.77	S	S	*	*			trans	-82.3	118.5	167.6	-62.4	174.4	0	0	0	107.6	A439	A439-I441 PolarHBondContact O-N 3.45Å
442	Y	27.6	Very low	31.8	Very low	222 Å²	222	152.6 Å²	152.6	87%	0.871	79%	0.791	S	S	*	*			trans	-110.1	124.6	161.3	-86.8	-78.1	0	0	0	109
443	A	29.1	Very low	30.9	Very low	71 Å²	71	150 Å²	150	59%	0.587	80%	0.799	S	S	*	*			trans	-162.1	108.8	165.8	0	0	0	0	0	110.1
444	Y	27.9	Very low	30.3	Very low	211 Å²	211	149.8 Å²	149.8	83%	0.827	80%	0.803	S	S	*	*			trans	48.5	144.3	138.9	-52.6	-71.9	0	0	0	120.1
445	D	26.7	Very low	30.2	Very low	132 Å²	132	144 Å²	144	71%	0.706	80%	0.795	S	S	*	*			cis	-166.5	173.2	2.6	-130.3	-31.2	0	0	0	111.6
446	C	27.3	Very low	30	Very low	107 Å²	107	137.6 Å²	137.6	72%	0.723	79%	0.792	S	S	*	*			trans	68.4	141.9	163.7	-64.1	0	0	0	0	117.1
447	L	31.1	Very low	29.9	Very low	170 Å²	170	141.3 Å²	141.3	89%	0.89	80%	0.803	S	S	*	*			cis	-139.7	167.9	34.2	-81.6	167.6	0	0	0	115.6
448	A	30.4	Very low	29.8	Very low	92 Å²	92	136.1 Å²	136.1	76%	0.76	79%	0.793	S	S	*	*			trans	-76.9	176.6	-177.2	0	0	0	0	0	114.6
449	P	34.5	Very low	29.6	Very low	116 Å²	116	137.5 Å²	137.5	75%	0.753	79%	0.794	S	S	*	*			trans	-109.4	173.1	-152.4	42.7	-38.7	0	0	0	117.6
450	V	28.6	Very low	29.4	Very low	149 Å²	149	136.6 Å²	136.6	90%	0.903	79%	0.794	S	S	*	*			trans	72.8	113.9	162.7	-165.6	0	0	0	0	118
451	G	28.6	Very low	29.1	Very low	69 Å²	69	137.9 Å²	137.9	71%	0.711	79%	0.794	S	S	*	*			trans	178.3	59.5	171.1	0	0	0	0	0	120.8
452	R	29.3	Very low	28.7	Very low	254 Å²	254	138 Å²	138	96%	0.958	79%	0.791	S	S	*	*			trans	69.8	144.2	157	-63.5	177.7	170.8	156.4	-2	121.4
453	A	30.8	Very low	28.6	Very low	102 Å²	102	131.6 Å²	131.6	84%	0.843	78%	0.783	S	S	*	*			trans	79.1	112.6	151.3	0	0	0	0	0	121
454	D	29.4	Very low	28.5	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	79%	0.793	S	S	*	*			trans	-67.8	173.6	158.9	-154.8	31	0	0	0	111.1
455	P	36.2	Very low	28.5	Very low	111 Å²	111	132.3 Å²	132.3	72%	0.721	79%	0.79	S	S	*	*			cis	-131.6	-175.7	-3	20.5	6.6	0	0	0	116.3
456	A	30.2	Very low	29	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	79%	0.792	S	S	*	*			trans	-75.6	146.7	-174.7	0	0	0	0	0	117.9
457	L	26.5	Very low	29.5	Very low	170 Å²	170	130.7 Å²	130.7	89%	0.89	79%	0.785	S	S	*	*			trans	-165.2	104.2	151.5	-155	66.8	0	0	0	108.6
458	A	26.9	Very low	29.8	Very low	81 Å²	81	130.2 Å²	130.2	67%	0.669	78%	0.784	S	S	*	*				89.1	142.7	68.1	0	0	0	0	0	115.5
459	K	26.5	Very low	30	Very low	219 Å²	219	129.1 Å²	129.1	95%	0.952	78%	0.781	S	S	*	*			trans	68.1	140.5	178.7	-56.2	175.8	179.7	177.9	0	113.3
460	G	26.7	Very low	29.9	Very low	71 Å²	71	129.6 Å²	129.6	73%	0.732	78%	0.782	S	S	*	*			cis	153.3	175.5	24.8	0	0	0	0	0	104.2
461	L	23.6	Very low	29.9	Very low	142 Å²	142	128.4 Å²	128.4	74%	0.743	78%	0.775	S	S	*	*			cis	-161.2	166.2	3.1	-163.8	79.3	0	0	0	105.4
462	E	25.6	Very low	30	Very low	160 Å²	160	132.6 Å²	132.6	75%	0.748	78%	0.78	S	S	*	*			trans	35.1	127	148.4	-79	163.8	-159	0	0	122.8
463	A	25.4	Very low	30.1	Very low	86 Å²	86	125.4 Å²	125.4	71%	0.711	77%	0.769	S	S	*	*				36.6	141.4	102.5	0	0	0	0	0	117.9
464	L	26	Very low	30	Very low	152 Å²	152	129.3 Å²	129.3	80%	0.796	77%	0.772	S	S	*	*			cis	-177.2	179.4	34.2	-140.1	169.5	0	0	0	108.9
465	L	28.6	Very low	29.9	Very low	145 Å²	145	126.4 Å²	126.4	76%	0.759	77%	0.769	S	S	*	*			trans	78	144.8	165.9	-52.1	170.1	0	0	0	116.4
466	T	36.5	Very low	29.6	Very low	123 Å²	123	133 Å²	133	76%	0.755	78%	0.779	S	S	*	*			cis	-153.2	176.9	0.6	-2.5	0	0	0	0	108.6
467	S	38.2	Very low	29.4	Very low	82 Å²	82	139.8 Å²	139.8	57%	0.573	78%	0.784	S	S	*	*			cis	-160.2	159.2	3.5	42	0	0	0	0	110.1
468	N	36.9	Very low	30	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	78%	0.775	S	S	*	*			trans	70.9	149.1	170.9	-47.3	-38.2	0	0	0	114.4
469	G	34.7	Very low	30.1	Very low	68 Å²	68	139 Å²	139	70%	0.701	78%	0.78	S	S	*	*			cis	179.5	166.9	-6.2	0	0	0	0	0	109.2
470	T	32.4	Very low	30.3	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	78%	0.775	S	S	*	*			cis	-155.8	115.4	0.5	-48.1	0	0	0	0	104.2
471	V	29	Very low	30.4	Very low	124 Å²	124	139.3 Å²	139.3	75%	0.752	78%	0.779	S	S	*	*				52.1	120.1	86.2	179.7	0	0	0	0	110.7
472	L	31.2	Very low	31.3	Very low	157 Å²	157	138.1 Å²	138.1	82%	0.822	78%	0.78	S	S	*	*			cis	-124.8	176.6	23	-76.3	98	0	0	0	111.2
473	S	31.7	Very low	31.7	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	78%	0.784	S	S	*	*			cis	-170.6	-176.5	-24.1	59.5	0	0	0	0	109.4
474	M	27.5	Very low	32.1	Very low	184 Å²	184	143.2 Å²	143.2	91%	0.906	79%	0.792	S	S	*	*			trans	-120.1	156	167.3	-73.7	-176.1	164.6	0	0	111.8
475	A	27.5	Very low	32.8	Very low	91 Å²	91	141 Å²	141	75%	0.752	79%	0.787	S	S	*	*				137.9	150.2	115.1	0	0	0	0	0	118.6
476	R	30.5	Very low	33.1	Very low	250 Å²	250	138.8 Å²	138.8	94%	0.943	78%	0.784	S	S	*	*			trans	90.9	139.2	157.8	-62.1	-173.8	175.3	-175.1	-1.5	120.9
477	R	25.3	Very low	33	Very low	239 Å²	239	138.7 Å²	138.7	90%	0.902	78%	0.778	S	S	*	*			trans	-90.6	-172	176.2	-47	170.6	163.4	172.9	-6.6	110.3
478	P	38.9	Very low	32.9	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	79%	0.789	S	S	*	*			cis	-135.6	-159.6	-9.8	36.2	-14.1	0	0	0	114.5
479	T	28.7	Very low	32.8	Very low	125 Å²	125	140.2 Å²	140.2	77%	0.767	78%	0.784	S	S	*	*			trans	114.3	125.3	142.6	12.4	0	0	0	0	122
480	V	31.2	Very low	32.9	Very low	139 Å²	139	142.3 Å²	142.3	84%	0.842	79%	0.786	S	S	*	*			trans	90	126.9	152	-179.9	0	0	0	0	120.9
481	L	29.1	Very low	32.8	Very low	158 Å²	158	141 Å²	141	83%	0.827	78%	0.782	S	S	*	*			trans	-89.9	-177.1	172.2	-87.2	149.6	0	0	0	110.8
482	P	41.9	Very low	32.7	Very low	117 Å²	117	140.7 Å²	140.7	76%	0.76	79%	0.785	S	S	*	*			cis	-128	-166	12.7	36.8	-13.1	0	0	0	112.7
483	S	34.5	Very low	32.9	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	79%	0.788	S	S	*	*			cis	-157.1	-177	28.4	58.6	0	0	0	0	115.2
484	R	33.4	Very low	32.7	Very low	236 Å²	236	138.5 Å²	138.5	89%	0.891	79%	0.789	S	S	*	*			trans	-104.9	-166.9	-162.8	-117.7	178.7	-179.5	-178.4	-0.1	111.8
485	P	41.6	Very low	33	Very low	106 Å²	106	141.6 Å²	141.6	69%	0.688	79%	0.79	S	S	*	*			cis	-129.3	179.6	-19.1	31.3	-8.3	0	0	0	112.8
486	S	35.4	Very low	33	Very low	98 Å²	98	144.1 Å²	144.1	69%	0.685	79%	0.79	S	S	*	*				179.2	142.5	63.3	46.5	0	0	0	0	114
487	D	34	Very low	33.1	Very low	120 Å²	120	143 Å²	143	64%	0.642	79%	0.787	S	S	*	*			trans	56.9	141.7	130.2	-65.2	16.7	0	0	0	122.2
488	K	34.7	Very low	33.3	Very low	182 Å²	182	138.5 Å²	138.5	79%	0.791	78%	0.781	S	S	*	*			cis	-162.2	139.7	7.9	-121	162	-173.1	129.2	0	113.4
489	A	35.1	Very low	32.7	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	78%	0.784	S	S	*	*			trans	-145.1	147.8	135.5	0	0	0	0	0	105.2
490	P	38.1	Very low	32.8	Very low	112 Å²	112	143.4 Å²	143.4	73%	0.727	79%	0.791	S	S	*	*				-164.8	-169.9	95.8	42.6	-20.9	0	0	0	117.5
491	S	30.1	Very low	32.6	Very low	100 Å²	100	145.7 Å²	145.7	70%	0.699	79%	0.793	S	S	*	*			trans	94.6	101	140	66.3	0	0	0	0	122
492	S	26.6	Very low	32.5	Very low	118 Å²	118	146.3 Å²	146.3	83%	0.825	80%	0.796	S	S	*	*				22.1	135	127.7	60.8	0	0	0	0	122.1
493	S	34.4	Very low	31.8	Very low	126 Å²	126	146 Å²	146	88%	0.881	80%	0.797	S	S	*	*			trans	-135.6	148.1	133	66.8	0	0	0	0	109.9
494	A	28.6	Very low	32	Very low	88 Å²	88	145.8 Å²	145.8	73%	0.727	79%	0.792	S	S	*	*			trans	-112.3	153.3	-179.3	0	0	0	0	0	110.9
495	R	33.2	Very low	31.8	Very low	248 Å²	248	140.3 Å²	140.3	94%	0.936	79%	0.785	S	S	*	*			trans	-137.7	126.5	154.8	-75.7	-167.1	177.6	177	0.6	110
496	L	28.4	Very low	31.1	Very low	144 Å²	144	141.9 Å²	141.9	75%	0.754	79%	0.788	S	S	*	*			trans	-74.1	150.8	166.3	-79.3	68.8	0	0	0	109.9
497	Y	32.8	Very low	30.6	Very low	227 Å²	227	144.6 Å²	144.6	89%	0.89	80%	0.795	S	S	*	*				171.9	136.2	128.1	-80.1	-60.8	0	0	0	106.4
498	D	29	Very low	30.3	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	80%	0.803	S	S	*	*			cis	-153.4	145.2	-23.8	-158.4	-2	0	0	0	105.9
499	A	26.2	Very low	29.9	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	80%	0.802	S	S	*	*			trans	-122.8	127.5	-177.3	0	0	0	0	0	109.9
500	R	29.9	Very low	29.4	Very low	245 Å²	245	150 Å²	150	93%	0.925	80%	0.801	S	S	*	*			trans	-123	100.9	173.6	-116.7	179.4	177.1	171.1	-0.3	110.1
501	E	26.8	Very low	28.7	Very low	188 Å²	188	148.8 Å²	148.8	88%	0.879	80%	0.795	S	S	*	*			trans	-74	145.2	158.7	-64.5	-179.5	142.2	0	0	109.6
502	L	28.7	Very low	28.4	Very low	170 Å²	170	152.3 Å²	152.3	89%	0.89	80%	0.801	S	S	*	*			trans	-156	130.9	151	-108.6	158.4	0	0	0	107.6
503	S	26.7	Very low	28.5	Very low	111 Å²	111	158.2 Å²	158.2	78%	0.776	81%	0.806	S	S	*	*			trans	-112.4	-165.9	-175.6	60.2	0	0	0	0	110.1
504	P	37.6	Very low	28	Very low	113 Å²	113	156.9 Å²	156.9	73%	0.734	80%	0.803	S	S	*	*				-119.7	166.3	-104.7	36.6	-20.4	0	0	0	114.3
505	T	29.7	Very low	28.1	Very low	122 Å²	122	159.9 Å²	159.9	75%	0.748	81%	0.807	S	S	*	*			trans	-151.2	126.7	161.4	33.4	0	0	0	0	112.8
506	D	28	Very low	27.9	Very low	139 Å²	139	153.1 Å²	153.1	74%	0.743	80%	0.795	S	S	*	*			trans	66	102.5	131.7	-49.2	-9	0	0	0	122.8
507	D	24.2	Very low	27.7	Very low	154 Å²	154	153.1 Å²	153.1	82%	0.824	80%	0.796	S	S	*	*				57.1	134.2	118.1	-68.6	-9.1	0	0	0	124.6
508	C	27	Very low	27.4	Very low	121 Å²	121	151.3 Å²	151.3	82%	0.818	80%	0.798	S	S	*	*			trans	132	135.3	152.6	-72.8	0	0	0	0	112.5
509	Y	26.5	Very low	27.1	Very low	194 Å²	194	148.8 Å²	148.8	76%	0.761	80%	0.797	S	S	*	*			cis	-166.2	130.9	-9.9	-154.1	-107.5	0	0	0	110.6
510	Y	24.8	Very low	27.2	Very low	195 Å²	195	150.1 Å²	150.1	77%	0.765	80%	0.801	S	S	*	*			trans	56.7	168.6	152.5	-85	-94.7	0	0	0	125.1
511	S	23.6	Very low	27.1	Very low	86 Å²	86	143.6 Å²	143.6	60%	0.601	79%	0.793	S	S	*	*			trans	-118.2	175.4	-159.8	55.5	0	0	0	0	114.4
512	E	24.2	Very low	27.2	Very low	173 Å²	173	140 Å²	140	81%	0.808	79%	0.786	S	S	*	*			trans	65.3	124	160.2	-67.3	-179.3	158.8	0	0	119.3
513	Y	28.5	Very low	27.3	Very low	242 Å²	242	138.9 Å²	138.9	95%	0.949	79%	0.786	S	S	*	*				-151.2	154.6	120.7	-93.3	-69.1	0	0	0	109.8
514	A	23.4	Very low	27.3	Very low	99 Å²	99	137.3 Å²	137.3	82%	0.818	77%	0.772	S	S	*	*			trans	-94.6	168.6	-179.9	0	0	0	0	0	113.1
515	D	30.9	Very low	26.8	Very low	151 Å²	151	137.6 Å²	137.6	81%	0.807	77%	0.774	S	S	*	*			trans	-42.5	161.6	174.7	-118.2	-27.1	0	0	0	115.8
516	P	28.9	Very low	26.8	Very low	105 Å²	105	139.3 Å²	139.3	68%	0.682	78%	0.778	S	S	*	*				-147.9	167.3	57.6	40.1	-20	0	0	0	119.2
517	D	23.6	Very low	26.9	Very low	145 Å²	145	138 Å²	138	78%	0.775	77%	0.77	S	S	*	*			trans	54.5	107.5	150.9	-68.6	-32.9	0	0	0	119.3
518	M	27	Very low	27.2	Very low	188 Å²	188	135.2 Å²	135.2	93%	0.926	76%	0.76	S	S	*	*				-160.5	133.6	125	-105.5	-60.7	157.4	0	0	112.5
519	A	23.6	Very low	27.4	Very low	92 Å²	92	134.8 Å²	134.8	76%	0.76	76%	0.755	S	S	*	*			trans	-61.7	139.2	-172.8	0	0	0	0	0	116.1
520	S	28.1	Very low	27.6	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	75%	0.75	S	S	*	*			trans	-151.3	119	137.7	55.4	0	0	0	0	111.1
521	S	28.2	Very low	28	Very low	107 Å²	107	126.8 Å²	126.8	75%	0.748	75%	0.751	S	S	*	*			trans	-69.7	159.5	-172	-52.9	0	0	0	0	114.4
522	P	28.6	Very low	28.3	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	76%	0.76	S	S	*	*			trans	-68.3	138.9	175.2	28.8	-35.6	0	0	0	112.2	V524	P522-V524 PolarHBondContact O-N 2.97Å
523	T	29.5	Very low	28.7	Very low	145 Å²	145	125.2 Å²	125.2	89%	0.89	76%	0.759	S	S	*	*			trans	-71.7	84.5	178.3	-49.5	0	0	0	0	111.7
524	V	27.5	Very low	28.6	Very low	79 Å²	79	122.6 Å²	122.6	48%	0.479	76%	0.756	S	S	.	*			trans	-74	136.2	159.7	179.6	0	0	0	0	108.4	P522 L526	P522-V524 PolarHBondContact O-N 2.97Å; V524-L526 PolarHBondContact O-N 3.16Å
525	P	27.8	Very low	28.8	Very low	118 Å²	118	128.9 Å²	128.9	77%	0.766	76%	0.758	S	S	*	*			trans	-64.7	103.3	169.1	-17	30.8	0	0	0	109.5	I527	P525-I527 PolarHBondContact O-N 3.17Å
526	L	29.8	Very low	28.6	Very low	158 Å²	158	133.3 Å²	133.3	83%	0.827	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-67.5	116.7	178.3	-75.7	164.9	0	0	0	110.2	V524	V524-L526 PolarHBondContact O-N 3.16Å
527	I	28.7	Very low	28.6	Very low	113 Å²	113	139.6 Å²	139.6	58%	0.579	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-61.8	122.5	159.1	-60.8	172.6	0	0	0	106.6	P525 Y833	P525-I527 PolarHBondContact O-N 3.17Å; I527-Y833 HydrophobicContact CG2-CE1 3.79Å; I527-Y833 WeakPolarHBondContact CG2-OH 3.32Å
528	P	31.6	Very low	28.7	Very low	94 Å²	94	137.7 Å²	137.7	61%	0.61	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.5	140.3	176.6	27.9	-33.3	0	0	0	109.7
529	P	30.9	Very low	28.8	Very low	112 Å²	112	136.4 Å²	136.4	73%	0.727	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-63	152.1	172.8	28.7	-34.6	0	0	0	110
530	P	30.7	Very low	29.1	Very low	101 Å²	101	137.4 Å²	137.4	66%	0.656	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-59.2	147.9	175.4	26.4	-34.6	0	0	0	110.4	A532	P530-A532 PolarHBondContact O-N 3.45Å
531	P	32.6	Very low	29.2	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-58.5	130.8	179.6	24.8	-33.7	0	0	0	110	V533	P531-V533 PolarHBondContact O-N 3.07Å; P531-V533 VanDerWaalsContact O-N 3.07Å
532	A	30.6	Very low	29.1	Very low	96 Å²	96	135.9 Å²	135.9	79%	0.793	77%	0.77	S	S	*	*			trans	-62.9	113.9	179.5	0	0	0	0	0	109.9	P530 E534	P530-A532 PolarHBondContact O-N 3.45Å; A532-E534 PolarHBondContact O-N 2.93Å; A532-E534 VanDerWaalsContact O-N 3.12Å
533	V	31.4	Very low	29.3	Very low	130 Å²	130	135.9 Å²	135.9	79%	0.788	77%	0.772	S	S	*	*			trans	-59.8	116.4	167.7	175.8	0	0	0	0	107.9	P531 R535	P531-V533 PolarHBondContact O-N 3.07Å; P531-V533 VanDerWaalsContact O-N 3.07Å; V533-R535 VanDerWaalsContact C-N 3.26Å; V533-R535 PolarHBondContact O-N 2.82Å
534	E	26.7	Very low	29.2	Very low	188 Å²	188	134.7 Å²	134.7	88%	0.879	77%	0.765	S	S	*	*			trans	-64.3	83.9	176.1	-72.8	-166.8	129.9	0	0	111.1	A532 R536	A532-E534 PolarHBondContact O-N 2.93Å; A532-E534 VanDerWaalsContact O-N 3.12Å; E534-R536 PolarHBondContact O-N 3.44Å
535	R	27.5	Very low	29.3	Very low	230 Å²	230	138 Å²	138	87%	0.868	78%	0.779	S	S	*	*			trans	-66.7	103.2	163.2	-74.1	-169.8	178.1	-171.7	0.9	108.2	V533 R537	V533-R535 VanDerWaalsContact C-N 3.26Å; V533-R535 PolarHBondContact O-N 2.82Å; R535-R537 PolarHBondContact O-N 2.83Å
536	R	26.5	Very low	29.5	Very low	244 Å²	244	140 Å²	140	92%	0.921	78%	0.779	S	S	*	*			trans	-37.3	125.1	175.8	-71.9	180	173.5	-177.4	-2	112.1	E534 S538	E534-R536 PolarHBondContact O-N 3.44Å; R536-S538 PolarHBondContact O-N 2.93Å; R536-S538 VanDerWaalsContact O-N 3.14Å
537	R	29.4	Very low	29.4	Very low	238 Å²	238	138.2 Å²	138.2	90%	0.898	77%	0.774	S	S	*	*			trans	-70.5	106.6	168.3	-77.6	-177.4	173.4	173.5	-1.3	110.5	R535	R535-R537 PolarHBondContact O-N 2.83Å
538	S	25.9	Very low	29.3	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	79%	0.789	S	S	*	*			trans	22.2	123.7	140	60.5	0	0	0	0	119.9	R536	R536-S538 PolarHBondContact O-N 2.93Å; R536-S538 VanDerWaalsContact O-N 3.14Å
539	I	29.6	Very low	29	Very low	162 Å²	162	141.5 Å²	141.5	83%	0.831	79%	0.793	S	S	*	*			trans	-127.7	113.5	143.3	-69.4	-177.7	0	0	0	109
540	S	29.1	Very low	29	Very low	113 Å²	113	145.4 Å²	145.4	79%	0.79	80%	0.798	S	S	*	*			trans	46	136.9	155.3	67.7	0	0	0	0	124.1
541	G	30.4	Very low	28.9	Very low	77 Å²	77	144 Å²	144	79%	0.794	80%	0.803	S	S	*	*			trans	110.9	87.9	149.3	0	0	0	0	0	115.5
542	S	26.4	Very low	28.7	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	81%	0.811	S	S	*	*				79.6	82.7	63.4	-172.6	0	0	0	0	116.7
543	S	32.1	Very low	28.6	Very low	114 Å²	114	153.9 Å²	153.9	80%	0.797	82%	0.815	S	S	*	*			trans	-170.1	121.7	135.1	44.1	0	0	0	0	107.1
544	T	27.5	Very low	28.3	Very low	120 Å²	120	159.8 Å²	159.8	74%	0.736	82%	0.824	S	S	*	*				73.6	97.5	58.1	-43.8	0	0	0	0	113.7
545	L	30.7	Very low	28.1	Very low	149 Å²	149	162.6 Å²	162.6	78%	0.78	83%	0.826	S	S	*	*			trans	151.7	144.5	136.5	-80	-178.9	0	0	0	110
546	Q	31.5	Very low	28.1	Very low	161 Å²	161	157.5 Å²	157.5	75%	0.752	83%	0.826	S	S	*	*			cis	-157.7	119.6	-18.1	-167	172.3	12.7	0	0	112.8
547	T	26.9	Very low	27.9	Very low	119 Å²	119	151.6 Å²	151.6	73%	0.73	82%	0.821	S	S	*	*			trans	28.8	118.2	136.8	-38.4	0	0	0	0	122.3
548	T	28	Very low	27.9	Very low	146 Å²	146	146 Å²	146	90%	0.896	82%	0.815	S	S	*	*				-145.9	131.4	124.1	47.9	0	0	0	0	109.9
549	L	25.3	Very low	27.8	Very low	131 Å²	131	148.6 Å²	148.6	69%	0.686	82%	0.82	S	S	*	*			trans	-149.4	156.8	-171.7	-133.6	175.6	0	0	0	110
550	F	30.7	Very low	27.7	Very low	193 Å²	193	148 Å²	148	85%	0.846	82%	0.819	S	S	*	*			trans	74	134.4	175.9	-48.4	-75.1	0	0	0	117
551	G	28	Very low	27.6	Very low	73 Å²	73	152.1 Å²	152.1	75%	0.753	83%	0.825	S	S	*	*			cis	148.3	129.2	-11	0	0	0	0	0	114
552	K	29.4	Very low	27.3	Very low	217 Å²	217	156.8 Å²	156.8	94%	0.943	83%	0.827	S	S	*	*			trans	-121.8	130	155.5	-90.3	-174.6	176.4	177.2	0	109.4
553	K	27.2	Very low	27.2	Very low	205 Å²	205	159.7 Å²	159.7	89%	0.891	83%	0.827	S	S	*	*			trans	-81.2	136.7	-175.7	-63.8	171.2	177.3	174	0	111.3
554	R	24.5	Very low	26.9	Very low	254 Å²	254	157 Å²	157	96%	0.958	82%	0.816	S	S	*	*				-133.9	134.4	121.5	-86.8	-169.3	170.3	-176	-3.8	108.2
555	R	23.5	Very low	27	Very low	247 Å²	247	159.7 Å²	159.7	93%	0.932	83%	0.826	S	S	*	*			trans	-122.1	135.7	169.5	-87.3	-174.9	172.5	179.8	-3.9	106.8
556	S	26.7	Very low	26.7	Very low	123 Å²	123	156.8 Å²	156.8	86%	0.86	82%	0.823	S	S	*	*			trans	-136.8	149.3	154.3	43.7	0	0	0	0	107
557	C	23.8	Very low	26.4	Very low	120 Å²	120	157.9 Å²	157.9	81%	0.811	82%	0.822	S	S	*	*			trans	-77.4	160.8	-162.3	-66.5	0	0	0	0	114.2
558	P	28.5	Very low	26.5	Very low	121 Å²	121	155.8 Å²	155.8	79%	0.786	81%	0.811	S	S	*	*			trans	-88.7	137.8	172.3	35.2	-31.5	0	0	0	111.8
559	L	24.8	Very low	26.5	Very low	159 Å²	159	153.5 Å²	153.5	83%	0.832	79%	0.793	S	S	*	*			trans	-152.2	152.4	159.7	-93.3	125	0	0	0	107.7
560	D	25.8	Very low	26.8	Very low	150 Å²	150	152 Å²	152	80%	0.802	78%	0.779	S	S	*	*			trans	55.4	78.8	179.5	-63.7	-12	0	0	0	118.2
561	Q	27.1	Very low	26.7	Very low	198 Å²	198	148.3 Å²	148.3	93%	0.925	76%	0.76	S	S	*	*			trans	-133.2	59.7	149.3	-77.5	-165.6	-16.5	0	0	111
562	Q	25	Very low	26.6	Very low	176 Å²	176	145.4 Å²	145.4	82%	0.822	73%	0.729	S	S	*	*	S	Bend	trans	-130.4	136.3	161.8	-74	-172.2	-29.6	0	0	107.9
563	H	25	Very low	26.6	Very low	178 Å²	178	137.4 Å²	137.4	82%	0.824	70%	0.701	S	S	*	*	S	Bend	trans	73.1	65.3	-179.4	-61.4	-142	0	0	0	115.9
564	G	26.1	Very low	26.9	Very low	56 Å²	56	130.8 Å²	130.8	58%	0.577	68%	0.68	S	S	*	*			trans	-155.7	1.3	167.6	0	0	0	0	0	116.5	A566	G564-A566 VanDerWaalsContact C-N 3.29Å; G564-A566 PolarHBondContact O-N 3.28Å; G564-A566 VanDerWaalsContact O-N 3.11Å
565	L	27.8	Very low	27	Very low	178 Å²	178	121.7 Å²	121.7	93%	0.932	65%	0.651	S	S	*	*			trans	-84.5	24.8	-165.3	-87.6	161.1	0	0	0	116	Y567	L565-Y567 VanDerWaalsContact C-N 3.34Å
566	A	25.6	Very low	27.4	Very low	87 Å²	87	116 Å²	116	72%	0.719	64%	0.643	S	S	*	*			trans	-89.8	8.7	178.3	0	0	0	0	0	114.3	G564	G564-A566 VanDerWaalsContact C-N 3.29Å; G564-A566 PolarHBondContact O-N 3.28Å; G564-A566 VanDerWaalsContact O-N 3.11Å
567	Y	25.6	Very low	27.6	Very low	185 Å²	185	111.7 Å²	111.7	73%	0.725	61%	0.612	S	S	*	*			trans	-101.3	12.6	-159.7	-100.7	-78.4	0	0	0	117.2	L565	L565-Y567 VanDerWaalsContact C-N 3.34Å
568	S	28.1	Very low	27.8	Very low	74 Å²	74	111.1 Å²	111.1	52%	0.517	60%	0.601	S	S	.	*			trans	-119.3	14.8	-174.5	68.6	0	0	0	0	116.7	Y570	S568-Y570 PolarHBondContact O-N 3.49Å; S568-Y570 VanDerWaalsContact O-N 3.17Å
569	L	28.1	Very low	27.8	Very low	98 Å²	98	109.3 Å²	109.3	51%	0.513	59%	0.589	S	S	.	*			trans	-76.4	9.5	179.6	-79.8	164.3	0	0	0	114.9
570	Y	31.1	Very low	28	Very low	100 Å²	100	110.1 Å²	110.1	39%	0.392	59%	0.588	S	S	.	*			trans	-76.3	144.9	179.2	-63.8	-81.5	0	0	0	112.4	S568 N578 F774	S568-Y570 PolarHBondContact O-N 3.49Å; S568-Y570 VanDerWaalsContact O-N 3.17Å; Y570-N578 HydrophobicContact CE1-CB 4.04Å; Y570-F774 HydrophobicContact CD1-CZ 4Å
571	Y	29.4	Very low	28.2	Very low	115 Å²	115	112.3 Å²	112.3	45%	0.451	59%	0.594	S	S	.	*			trans	76.7	82	173.9	-58.5	-83.7	0	0	0	117.7	R660 R736	Y571-R660 PolarHBondContact OH-NH1 3.41Å; Y571-R660 VanDerWaalsContact OH-NH1 3.11Å; Y571-R736 PolarHBondContact O-NH1 3.32Å
572	A	25.2	Very low	28.3	Very low	12 Å²	12	112.3 Å²	112.3	10%	0.099	59%	0.594	C	S	.	*	S	Bend	trans	-144.9	133.3	145.8	0	0	0	0	0	109.5	L776 F791	A572-L776 HydrophobicContact CB-CD2 3.72Å; A572-F791 HydrophobicContact CB-CZ 4.4Å
573	S	29.8	Very low	28.5	Very low	50 Å²	50	112.7 Å²	112.7	35%	0.35	60%	0.595	S	S	.	*	S	Bend	trans	61.8	130.4	-159.3	-161.1	0	0	0	0	113.8	D575	S573-D575 PolarHBondContact O-N 3.4Å; S573-D575 VanDerWaalsContact O-N 3.08Å
574	S	32.7	Very low	28.6	Very low	65 Å²	65	112.8 Å²	112.8	46%	0.455	60%	0.596	S	S	.	*	S	Bend	trans	-83.7	78.2	-166.9	52.7	0	0	0	0	113.2
575	D	26.6	Very low	28.8	Very low	63 Å²	63	116.3 Å²	116.3	34%	0.337	61%	0.609	S	S	.	*			trans	-146.3	132	167.7	-76.2	-63.8	0	0	0	113.8	S573 F623	S573-D575 PolarHBondContact O-N 3.4Å; S573-D575 VanDerWaalsContact O-N 3.08Å; D575-F623 HydrophobicContact CB-CE2 4.23Å; D575-F623 WeakPolarHBondContact OD1-CD2 3.35Å; D575-F623 WeakPolarHBondContact OD1-CE2 3.16Å; D575-F623 WeakPolarHBondContact OD1-CG 3.33Å; D575-F623 WeakPolarHBondContact OD2-CD2 3.45Å; D575-F623 WeakPolarHBondContact OD2-CE2 3.41Å
576	V	32.5	Very low	28.8	Very low	127 Å²	127	116.5 Å²	116.5	77%	0.77	61%	0.605	S	S	*	*			trans	55.8	108.7	166.7	-168.8	0	0	0	0	118.2
577	T	31.1	Very low	29	Very low	33 Å²	33	124.5 Å²	124.5	20%	0.202	62%	0.617	C	S	.	*	P	Polyproline II helix	trans	-63	149	166.7	58.2	0	0	0	0	113.8	H653 D657	T577-H653 PolarHBondContact OG1-ND1 3.42Å; T577-D657 WeakPolarHBondContact CG2-OD2 3.1Å
578	N	28.6	Very low	29.2	Very low	109 Å²	109	120.2 Å²	120.2	58%	0.583	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-87.5	144.2	153.9	-140.8	37	0	0	0	109.8	Y570	Y570-N578 HydrophobicContact CE1-CB 4.04Å
579	P	28.8	Very low	29.3	Very low	82 Å²	82	123.8 Å²	123.8	53%	0.532	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-72.2	169.4	163.6	33.8	-33.8	0	0	0	110.4
580	E	28.5	Very low	29.6	Very low	176 Å²	176	123.5 Å²	123.5	82%	0.822	65%	0.65	S	S	*	*			trans	101.4	67.5	177.1	-58.7	172.3	-168.3	0	0	116.9
581	E	28.9	Very low	29.9	Very low	196 Å²	196	127.8 Å²	127.8	92%	0.916	67%	0.671	S	S	*	*			trans	-118.1	80.5	133.1	-79.2	-174.6	156.2	0	0	107.7	E583	E581-E583 VanDerWaalsContact C-N 3.31Å; E581-E583 PolarHBondContact O-N 2.94Å; E581-E583 VanDerWaalsContact O-N 3.14Å
582	E	29.5	Very low	30.8	Very low	198 Å²	198	127 Å²	127	93%	0.925	68%	0.68	S	S	*	*			trans	-78.2	83.5	164.5	-81.7	-159.6	145.3	0	0	109.6
583	E	29.8	Very low	32.2	Very low	184 Å²	184	129.1 Å²	129.1	86%	0.86	69%	0.692	S	S	*	*			trans	-70.8	152.3	154.2	-81.1	-159.7	139	0	0	110.9	E581	E581-E583 VanDerWaalsContact C-N 3.31Å; E581-E583 PolarHBondContact O-N 2.94Å; E581-E583 VanDerWaalsContact O-N 3.14Å
584	Q	26.9	Very low	33.9	Very low	180 Å²	180	130.3 Å²	130.3	84%	0.841	70%	0.698	S	S	*	*			trans	-59.6	151.6	-166	-69.2	172.8	-4.6	0	0	114.6	Q586	Q584-Q586 PolarHBondContact O-N 2.82Å
585	P	30.2	Very low	35.5	Very low	130 Å²	130	128.7 Å²	128.7	84%	0.844	68%	0.684	S	S	*	*			trans	-77.7	97.6	-159.7	30.4	-37.3	0	0	0	113.8
586	Q	28.7	Very low	37.5	Very low	183 Å²	183	130.3 Å²	130.3	86%	0.855	69%	0.691	S	S	*	*			trans	-133.6	99.3	166.3	-65.5	-163.8	20	0	0	113.9	Q584	Q584-Q586 PolarHBondContact O-N 2.82Å
587	R	29.1	Very low	39.4	Very low	255 Å²	255	129.8 Å²	129.8	96%	0.962	68%	0.68	S	S	*	*			trans	37.3	92.2	147.9	-68.7	177.2	167.9	166	-3.7	118.2
588	A	29.8	Very low	41.3	Very low	94 Å²	94	128.3 Å²	128.3	78%	0.777	67%	0.671	S	S	*	*				177.1	127.7	112	0	0	0	0	0	111.1	A590	A588-A590 VanDerWaalsContact C-N 3.27Å; A588-A590 PolarHBondContact O-N 2.95Å
589	T	29.1	Very low	43.6	Very low	149 Å²	149	123.3 Å²	123.3	91%	0.914	64%	0.644	S	S	*	*			trans	-76.3	78.5	168.3	42.9	0	0	0	0	110.2	K591	T589-K591 PolarHBondContact O-N 3.35Å
590	A	35.1	Very low	45.8	Very low	92 Å²	92	123.1 Å²	123.1	76%	0.76	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-63.7	119.8	170.9	0	0	0	0	0	109.6	A588	A588-A590 VanDerWaalsContact C-N 3.27Å; A588-A590 PolarHBondContact O-N 2.95Å
591	K	36.8	Very low	48.3	Very low	190 Å²	190	118.5 Å²	118.5	83%	0.826	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-63.2	147	170.3	-68.7	-177.8	177.4	-178	0	109.2	T589 T593	T589-K591 PolarHBondContact O-N 3.35Å; K591-T593 PolarHBondContact O-N 2.77Å
592	P	49.6	Very low	50.6	Low	100 Å²	100	110.8 Å²	110.8	65%	0.649	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-57.1	133.1	173.2	24.4	-33.3	0	0	0	110
593	T	55.1	Low	53	Low	56 Å²	56	104.4 Å²	104.4	34%	0.344	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-58.6	125.4	179.7	-24.8	0	0	0	0	109.2	K591 L595 E597	K591-T593 PolarHBondContact O-N 2.77Å; T593-L595 PolarHBondContact O-N 2.86Å; T593-E597 HydrophobicContact CG2-CB 3.97Å
594	P	65.4	Low	55.4	Low	74 Å²	74	96.3 Å²	96.3	48%	0.481	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-52.5	139.7	176.1	-27.7	34.8	0	0	0	111.8	M596 E597 L598	P594-M596 PolarHBondContact O-N 3.35Å; P594-E597 HydrophobicContact CB-CG 4.42Å; P594-E597 WeakPolarHBondContact CD-OE2 3.44Å; P594-E597 WeakPolarHBondContact O-CB 3.24Å; P594-E597 PolarHBondContact O-N 3.49Å; P594-L598 PolarHBondContact O-N 3.47Å
595	L	65.1	Low	58.2	Low	31 Å²	31	91.4 Å²	91.4	16%	0.162	54%	0.536	C	S	.	.	H	α-helix	trans	-47	-41.3	-174.7	-128.6	162.9	0	0	0	113.4	T593 F599 W655 A681	T593-L595 PolarHBondContact O-N 2.86Å; L595-F599 HydrophobicContact CD2-CD1 4.36Å; L595-F599 HydrophobicContact CD2-CD2 4.34Å; L595-F599 HydrophobicContact CD2-CE1 3.53Å; L595-F599 HydrophobicContact CD2-CE2 3.54Å; L595-F599 HydrophobicContact CD2-CZ 3.08Å; L595-F599 WeakPolarHBondContact O-CD2 3.4Å; L595-F599 VanDerWaalsContact O-CG 3.28Å; L595-F599 WeakPolarHBondContact O-CG 3.43Å; L595-F599 PolarHBondContact O-N 3.35Å; L595-W655 HydrophobicContact CD1-CH2 3.91Å; L595-W655 HydrophobicContact CD1-CZ2 4.49Å; L595-W655 HydrophobicContact CD1-CZ3 4.11Å; L595-W655 HydrophobicContact CD2-CH2 3.43Å; L595-W655 VanDerWaalsContact CD2-CH2 3.43Å; L595-W655 HydrophobicContact CD2-CZ2 4.03Å; L595-W655 HydrophobicContact CD2-CZ3 4.28Å; L595-W655 HydrophobicContact CG-CH2 3.37Å; L595-W655 HydrophobicContact CG-CZ2 3.68Å; L595-W655 HydrophobicContact CG-CZ3 4.08Å; L595-A681 HydrophobicContact CD1-CB 4.27Å; L595-A681 HydrophobicContact CD2-CB 3.92Å
596	M	68.5	Low	60.9	Low	97 Å²	97	89.8 Å²	89.8	48%	0.478	52%	0.52	S	S	.	.	H	α-helix	trans	-71.2	-34	177.9	-66.1	-61.7	-166.2	0	0	114.4	P594 F599 A600 L606	P594-M596 PolarHBondContact O-N 3.35Å; M596-F599 PolarHBondContact O-N 2.93Å; M596-F599 HydrophobicContact SD-CD2 4.14Å; M596-A600 WeakPolarHBondContact O-CB 3.43Å; M596-A600 PolarHBondContact O-N 2.91Å; M596-L606 HydrophobicContact CE-CD1 4.1Å; M596-L606 HydrophobicContact CE-CD2 3.87Å; M596-L606 HydrophobicContact SD-CD1 3.7Å; M596-L606 HydrophobicContact SD-CD2 3.84Å; M596-L606 HydrophobicContact SD-CG 4.46Å
597	E	72.5	Confident	63.7	Low	117 Å²	117	81.9 Å²	81.9	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-69.4	-38.4	176.1	-72.8	-175.8	179.2	0	0	110.9	T593 P594 A600 S601	T593-E597 HydrophobicContact CG2-CB 3.97Å; P594-E597 HydrophobicContact CB-CG 4.42Å; P594-E597 WeakPolarHBondContact CD-OE2 3.44Å; P594-E597 WeakPolarHBondContact O-CB 3.24Å; P594-E597 PolarHBondContact O-N 3.49Å; E597-A600 PolarHBondContact O-N 3.27Å; E597-S601 WeakPolarHBondContact O-CB 3.46Å; E597-S601 PolarHBondContact O-N 2.9Å
598	L	72.4	Confident	66.4	Low	1 Å²	1	74.8 Å²	74.8	1%	0.005	46%	0.462	C	S	.	.	H	α-helix	trans	-58.6	-50.3	172.5	175	62.5	0	0	0	110.9	P594 A600 S601 L602 W655 E659 L662	P594-L598 PolarHBondContact O-N 3.47Å; L598-A600 PolarHBondContact O-N 3.39Å; L598-S601 PolarHBondContact O-N 3.5Å; L598-S601 PolarHBondContact O-OG 3.22Å; L598-L602 HydrophobicContact CD1-CD1 4Å; L598-L602 HydrophobicContact CD1-CG 4.29Å; L598-L602 HydrophobicContact CG-CD1 4.21Å; L598-L602 WeakPolarHBondContact O-CG 3.4Å; L598-L602 PolarHBondContact O-N 2.96Å; L598-L602 VanDerWaalsContact O-N 3.14Å; L598-W655 HydrophobicContact CD2-CH2 4.45Å; L598-W655 HydrophobicContact CD2-CZ2 3.81Å; L598-E659 HydrophobicContact CD1-CG 3.8Å; L598-E659 HydrophobicContact CD2-CB 3.79Å; L598-E659 HydrophobicContact CD2-CG 3.62Å; L598-E659 HydrophobicContact CG-CG 4.37Å; L598-L662 HydrophobicContact CD2-CD2 4.32Å
599	F	76.6	Confident	69	Low	4 Å²	4	74.5 Å²	74.5	2%	0.018	44%	0.441	C	S	.	.	H	α-helix	trans	-60.5	-44.1	179.5	-63	-19.9	0	0	0	112.8	L595 M596 S601 L602 G603 C604 L606 L662 V679 A681 C686	L595-F599 HydrophobicContact CD2-CD1 4.36Å; L595-F599 HydrophobicContact CD2-CD2 4.34Å; L595-F599 HydrophobicContact CD2-CE1 3.53Å; L595-F599 HydrophobicContact CD2-CE2 3.54Å; L595-F599 HydrophobicContact CD2-CZ 3.08Å; L595-F599 WeakPolarHBondContact O-CD2 3.4Å; L595-F599 VanDerWaalsContact O-CG 3.28Å; L595-F599 WeakPolarHBondContact O-CG 3.43Å; L595-F599 PolarHBondContact O-N 3.35Å; M596-F599 PolarHBondContact O-N 2.93Å; M596-F599 HydrophobicContact SD-CD2 4.14Å; F599-S601 VanDerWaalsContact C-N 3.33Å; F599-S601 PolarHBondContact O-N 3.28Å; F599-L602 PolarHBondContact O-N 3.5Å; F599-G603 PolarHBondContact O-N 2.85Å; F599-C604 PolarHBondContact O-N 2.98Å; F599-L606 HydrophobicContact CD2-CD1 3.68Å; F599-L606 HydrophobicContact CE2-CD1 3.95Å; F599-L662 HydrophobicContact CD1-CD2 3.79Å; F599-L662 HydrophobicContact CE1-CD2 3.54Å; F599-V679 HydrophobicContact CB-CG2 4.19Å; F599-V679 HydrophobicContact CD1-CB 4.39Å; F599-V679 HydrophobicContact CD1-CG2 3.67Å; F599-V679 HydrophobicContact CD2-CB 4.48Å; F599-V679 HydrophobicContact CD2-CG2 3.59Å; F599-V679 HydrophobicContact CE1-CB 3.96Å; F599-V679 HydrophobicContact CE1-CG1 4.16Å; F599-V679 HydrophobicContact CE1-CG2 3.73Å; F599-V679 HydrophobicContact CE2-CB 4.02Å; F599-V679 HydrophobicContact CE2-CG2 3.62Å; F599-V679 HydrophobicContact CG-CG2 3.57Å; F599-V679 HydrophobicContact CZ-CB 3.72Å; F599-V679 HydrophobicContact CZ-CG1 4.35Å; F599-V679 HydrophobicContact CZ-CG2 3.68Å; F599-A681 HydrophobicContact CE2-CB 3.65Å; F599-A681 HydrophobicContact CZ-CB 4.12Å; F599-C686 VanDerWaalsContact CZ-SG 3.59Å
600	A	74.9	Confident	71.8	Confident	78 Å²	78	72.2 Å²	72.2	65%	0.645	43%	0.431	S	S	*	.	H	α-helix	trans	-59.9	-42.6	174.9	0	0	0	0	0	111.7	M596 E597 L598 L602 G603	M596-A600 WeakPolarHBondContact O-CB 3.43Å; M596-A600 PolarHBondContact O-N 2.91Å; E597-A600 PolarHBondContact O-N 3.27Å; L598-A600 PolarHBondContact O-N 3.39Å; A600-L602 PolarHBondContact O-N 2.89Å; A600-G603 PolarHBondContact O-N 2.95Å
601	S	79.8	Confident	74.4	Confident	80 Å²	80	72.6 Å²	72.6	56%	0.559	41%	0.413	S	S	*	.	H	α-helix	trans	-64.8	-24.3	178	79.8	0	0	0	0	114.1	E597 L598 F599	E597-S601 WeakPolarHBondContact O-CB 3.46Å; E597-S601 PolarHBondContact O-N 2.9Å; L598-S601 PolarHBondContact O-N 3.5Å; L598-S601 PolarHBondContact O-OG 3.22Å; F599-S601 VanDerWaalsContact C-N 3.33Å; F599-S601 PolarHBondContact O-N 3.28Å
602	L	78.1	Confident	77	Confident	33 Å²	33	64 Å²	64	17%	0.173	38%	0.375	C	S	.	.	H	α-helix	trans	-92.1	-7.9	178.6	-67.7	177.4	0	0	0	113.5	L598 F599 A600 C604 L662 R663 A666	L598-L602 HydrophobicContact CD1-CD1 4Å; L598-L602 HydrophobicContact CD1-CG 4.29Å; L598-L602 HydrophobicContact CG-CD1 4.21Å; L598-L602 WeakPolarHBondContact O-CG 3.4Å; L598-L602 PolarHBondContact O-N 2.96Å; L598-L602 VanDerWaalsContact O-N 3.14Å; F599-L602 PolarHBondContact O-N 3.5Å; A600-L602 PolarHBondContact O-N 2.89Å; L602-C604 HydrophobicContact CB-CB 4.32Å; L602-C604 PolarHBondContact O-N 3.32Å; L602-L662 HydrophobicContact CD1-CB 4.5Å; L602-L662 HydrophobicContact CD1-CD2 4.08Å; L602-L662 HydrophobicContact CD1-CG 3.8Å; L602-R663 HydrophobicContact CD1-CG 4.33Å; L602-R663 HydrophobicContact CD2-CB 4.19Å; L602-R663 HydrophobicContact CD2-CG 3.9Å; L602-A666 HydrophobicContact CB-CB 4.29Å; L602-A666 HydrophobicContact CD1-CB 4.48Å
603	G	79.1	Confident	79	Confident	65 Å²	65	63.5 Å²	63.5	67%	0.67	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	17.1	-172.6	0	0	0	0	0	113.6	F599 A600	F599-G603 PolarHBondContact O-N 2.85Å; A600-G603 PolarHBondContact O-N 2.95Å
604	C	80.7	Confident	80.5	Confident	14 Å²	14	64.1 Å²	64.1	10%	0.095	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-78.2	127.4	-176.2	-167.3	0	0	0	0	109.7	F599 L602 L606 A666 V679	F599-C604 PolarHBondContact O-N 2.98Å; L602-C604 HydrophobicContact CB-CB 4.32Å; L602-C604 PolarHBondContact O-N 3.32Å; C604-L606 PolarHBondContact O-N 3.12Å; C604-A666 HydrophobicContact CB-CB 4.48Å; C604-V679 HydrophobicContact CB-CG2 4.31Å
605	P	85.6	Confident	81.7	Confident	77 Å²	77	64.5 Å²	64.5	50%	0.5	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-59.7	126.7	-177.5	-26.3	35.6	0	0	0	112.5	L677 G678 V679	P605-L677 WeakPolarHBondContact CG-O 3.43Å; P605-G678 CarbonylContact O-C 3.58Å; P605-G678 WeakPolarHBondContact O-CA 3.45Å; P605-V679 PolarHBondContact O-N 2.76Å
606	L	86.3	Confident	82.6	Confident	95 Å²	95	68.2 Å²	68.2	50%	0.497	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-81	122.3	172.4	-170.1	76.7	0	0	0	109.7	M596 F599 C604 V679	M596-L606 HydrophobicContact CE-CD1 4.1Å; M596-L606 HydrophobicContact CE-CD2 3.87Å; M596-L606 HydrophobicContact SD-CD1 3.7Å; M596-L606 HydrophobicContact SD-CD2 3.84Å; M596-L606 HydrophobicContact SD-CG 4.46Å; F599-L606 HydrophobicContact CD2-CD1 3.68Å; F599-L606 HydrophobicContact CE2-CD1 3.95Å; C604-L606 PolarHBondContact O-N 3.12Å; L606-V679 CarbonylContact C-O 3.5Å; L606-V679 WeakPolarHBondContact CA-O 3.31Å
607	V	87.5	Confident	83.4	Confident	18 Å²	18	67.7 Å²	67.7	11%	0.109	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-100.5	124.7	175.8	-176.1	0	0	0	0	108.9	R609 L612 M631 V679 S680 V689	V607-R609 PolarHBondContact O-N 2.88Å; V607-L612 HydrophobicContact CG1-CD1 4.05Å; V607-L612 HydrophobicContact CG1-CD2 4.06Å; V607-L612 HydrophobicContact CG1-CG 3.86Å; V607-M631 HydrophobicContact CG1-CG 4.32Å; V607-M631 HydrophobicContact CG1-SD 3.8Å; V607-M631 HydrophobicContact CG2-SD 4.13Å; V607-V679 PolarHBondContact N-O 2.04Å; V607-S680 WeakPolarHBondContact O-CB 3.43Å; V607-S680 PolarHBondContact O-OG 2.85Å; V607-V689 HydrophobicContact CG2-CG2 4.35Å
608	E	86.6	Confident	83.6	Confident	105 Å²	105	64.2 Å²	64.2	49%	0.491	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-63.3	128.3	174.1	-69.4	177	149.2	0	0	110.8	S610 R611	E608-S610 PolarHBondContact O-N 3.07Å; E608-S610 VanDerWaalsContact O-N 3.1Å; E608-R611 HydrophobicContact CB-CG 4.08Å; E608-R611 WeakPolarHBondContact O-CB 3.28Å; E608-R611 PolarHBondContact O-N 3.11Å; E608-R611 IonicContact OE2-CZ 3.21Å; E608-R611 IonicContact OE2-NE 2.69Å; E608-R611 PolarHBondContact OE2-NE 3.47Å; E608-R611 IonicContact OE2-NH2 2.84Å; E608-R611 PolarHBondContact OE2-NH2 3.05Å
609	R	85.4	Confident	83.5	Confident	89 Å²	89	64.6 Å²	64.6	34%	0.336	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-54.5	-34.9	-178.2	-175.8	62.7	-177.9	126.3	-16.3	113.1	V607 R611 L612 M614 L687	V607-R609 PolarHBondContact O-N 2.88Å; R609-R611 PolarHBondContact O-N 2.84Å; R609-L612 PolarHBondContact NH1-O 3.22Å; R609-L612 PolarHBondContact O-N 3.34Å; R609-L612 VanDerWaalsContact O-N 3.13Å; R609-M614 PolarHBondContact NH1-SD 3.26Å; R609-M614 VanDerWaalsContact NH1-SD 3.44Å; R609-M614 PolarHBondContact NH2-SD 3.32Å; R609-L687 VanDerWaalsContact CD-CD1 3.43Å
610	S	87.2	Confident	83.2	Confident	101 Å²	101	68.6 Å²	68.6	71%	0.706	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63.6	-19.2	176.8	55.5	0	0	0	0	114.5	E608	E608-S610 PolarHBondContact O-N 3.07Å; E608-S610 VanDerWaalsContact O-N 3.1Å
611	R	90	Very high	82.7	Confident	99 Å²	99	65.3 Å²	65.3	37%	0.374	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-86.8	-11.8	175.4	-61.8	-177.3	-169.6	-140.5	3.8	113.3	E608 R609 M631 K632 I633	E608-R611 HydrophobicContact CB-CG 4.08Å; E608-R611 WeakPolarHBondContact O-CB 3.28Å; E608-R611 PolarHBondContact O-N 3.11Å; E608-R611 IonicContact OE2-CZ 3.21Å; E608-R611 IonicContact OE2-NE 2.69Å; E608-R611 PolarHBondContact OE2-NE 3.47Å; E608-R611 IonicContact OE2-NH2 2.84Å; E608-R611 PolarHBondContact OE2-NH2 3.05Å; R609-R611 PolarHBondContact O-N 2.84Å; R611-M631 WeakPolarHBondContact O-CA 3.45Å; R611-K632 HydrophobicContact CB-CB 4.27Å; R611-K632 WeakPolarHBondContact CD-O 3.46Å; R611-K632 PolarHBondContact O-N 2.68Å; R611-I633 PolarHBondContact NH1-O 3.28Å
612	L	90.3	Very high	81.7	Confident	9 Å²	9	65.8 Å²	65.8	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	93	-177.6	-67.9	173.6	0	0	0	111.1	V607 R609 M614 M631 V641 V643 L687 V689	V607-L612 HydrophobicContact CG1-CD1 4.05Å; V607-L612 HydrophobicContact CG1-CD2 4.06Å; V607-L612 HydrophobicContact CG1-CG 3.86Å; R609-L612 PolarHBondContact NH1-O 3.22Å; R609-L612 PolarHBondContact O-N 3.34Å; R609-L612 VanDerWaalsContact O-N 3.13Å; L612-M614 PolarHBondContact O-N 3.4Å; L612-M631 HydrophobicContact CD2-CB 3.94Å; L612-M631 HydrophobicContact CD2-CG 3.88Å; L612-M631 HydrophobicContact CD2-SD 4.16Å; L612-V641 HydrophobicContact CD2-CG2 4.14Å; L612-V643 HydrophobicContact CD2-CG2 4.34Å; L612-L687 HydrophobicContact CD1-CD1 4.4Å; L612-V689 HydrophobicContact CD1-CG2 4.06Å; L612-V689 HydrophobicContact CD2-CG2 4.44Å
613	E	91.5	Very high	80.9	Confident	90 Å²	90	69.2 Å²	69.2	42%	0.421	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	103	173.5	-176.4	178.5	-169.9	0	0	109.3	C629 R630	E613-C629 CarbonylContact O-C 3.42Å; E613-C629 VanDerWaalsContact O-CA 3.3Å; E613-C629 WeakPolarHBondContact O-CA 3.26Å; E613-R630 HydrophobicContact CB-CB 4.28Å; E613-R630 PolarHBondContact N-O 2.61Å; E613-R630 PolarHBondContact O-N 3.35Å; E613-R630 IonicContact OE2-CZ 3.17Å; E613-R630 IonicContact OE2-NE 3.53Å; E613-R630 PolarHBondContact OE2-NE 2.97Å; E613-R630 IonicContact OE2-NH2 2.72Å; E613-R630 PolarHBondContact OE2-NH2 2.66Å
614	M	88	Confident	80.6	Confident	69 Å²	69	66.8 Å²	66.8	34%	0.34	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.1	179.1	-53.4	-72.4	-68	0	0	110.4	R609 L612 H627 C629 T645	R609-M614 PolarHBondContact NH1-SD 3.26Å; R609-M614 VanDerWaalsContact NH1-SD 3.44Å; R609-M614 PolarHBondContact NH2-SD 3.32Å; L612-M614 PolarHBondContact O-N 3.4Å; M614-H627 HydrophobicContact CE-CB 3.55Å; M614-H627 VanDerWaalsContact CE-CG 3.48Å; M614-C629 PolarHBondContact SD-SG 3.34Å; M614-T645 HydrophobicContact CE-CG2 4.33Å
615	Q	88.9	Confident	80.4	Confident	83 Å²	83	67.9 Å²	67.9	39%	0.388	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-126.5	178.1	-52.9	-168.7	-53.3	0	0	110.1	L628	Q615-L628 WeakPolarHBondContact CA-O 3.45Å; Q615-L628 HydrophobicContact CB-CB 4.36Å; Q615-L628 HydrophobicContact CB-CG 4.45Å; Q615-L628 VanDerWaalsContact CB-O 3.31Å; Q615-L628 WeakPolarHBondContact CB-O 3.28Å; Q615-L628 PolarHBondContact N-O 3.14Å
616	E	85.5	Confident	80.4	Confident	108 Å²	108	64.8 Å²	64.8	51%	0.505	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	153.1	-179.4	61.1	178.8	-165.8	0	0	113.5	L618 H627 L628 R692	E616-L618 HydrophobicContact CG-CD2 4.2Å; E616-L618 WeakPolarHBondContact OE1-CD2 3.36Å; E616-H627 CarbonylContact O-C 3.41Å; E616-H627 WeakPolarHBondContact O-CA 3.41Å; E616-L628 HydrophobicContact CG-CB 3.66Å; E616-L628 HydrophobicContact CG-CD2 3.79Å; E616-L628 HydrophobicContact CG-CG 4.38Å; E616-L628 PolarHBondContact O-N 3.33Å; E616-L628 WeakPolarHBondContact OE1-CD2 3.27Å; E616-R692 IonicContact OE1-NH2 3.18Å
617	K	83.7	Confident	80.4	Confident	87 Å²	87	61.7 Å²	61.7	38%	0.378	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.2	168.7	-166.7	179.6	-161	175.8	0	109.3	E620 E625	K617-E620 IonicContact NZ-OE2 2.59Å; K617-E620 PolarHBondContact NZ-OE2 3.45Å; K617-E625 WeakPolarHBondContact CE-OE2 3.37Å; K617-E625 IonicContact NZ-OE1 3.8Å; K617-E625 PolarHBondContact NZ-OE1 2.96Å; K617-E625 IonicContact NZ-OE2 2.83Å; K617-E625 PolarHBondContact NZ-OE2 3.13Å
618	L	76.9	Confident	80.5	Confident	43 Å²	43	61.2 Å²	61.2	23%	0.225	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-31.2	178.7	-64	174.9	0	0	0	112.3	E616 V626 L628 A642 R760	E616-L618 HydrophobicContact CG-CD2 4.2Å; E616-L618 WeakPolarHBondContact OE1-CD2 3.36Å; L618-V626 HydrophobicContact CB-CG1 4.3Å; L618-V626 HydrophobicContact CD1-CG1 4.33Å; L618-V626 PolarHBondContact N-O 3.06Å; L618-L628 HydrophobicContact CD1-CB 3.97Å; L618-L628 HydrophobicContact CD1-CD1 4.46Å; L618-L628 HydrophobicContact CD2-CB 4.13Å; L618-L628 HydrophobicContact CG-CB 3.97Å; L618-A642 HydrophobicContact CD1-CB 4.33Å; L618-R760 PolarHBondContact O-NH2 3.1Å
619	G	70.6	Confident	80.8	Confident	10 Å²	10	56.2 Å²	56.2	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	160.5	-177.2	0	0	0	0	0	113.8	V626	G619-V626 PolarHBondContact N-O 3Å; G619-V626 VanDerWaalsContact N-O 3.11Å; G619-V626 PolarHBondContact O-N 3.1Å
620	E	71.3	Confident	81.1	Confident	88 Å²	88	56 Å²	56	41%	0.411	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120.5	176	-172.8	173.9	157.1	0	0	107.6	K617 E625 R647 R760	K617-E620 IonicContact NZ-OE2 2.59Å; K617-E620 PolarHBondContact NZ-OE2 3.45Å; E620-E625 HydrophobicContact CG-CG 4.44Å; E620-R647 VanDerWaalsContact CD-NH2 3.32Å; E620-R647 IonicContact OE1-CZ 2.74Å; E620-R647 IonicContact OE1-NH2 2.75Å; E620-R647 PolarHBondContact OE1-NH2 2.94Å; E620-R760 WeakPolarHBondContact O-CA 3.09Å
621	G	62.9	Low	81.4	Confident	8 Å²	8	52.6 Å²	52.6	8%	0.082	25%	0.245	C	C	.	.			trans	-102	-173.2	165.9	0	0	0	0	0	110.4	S624	G621-S624 PolarHBondContact N-O 2.82Å
622	E	59.2	Low	81.5	Confident	90 Å²	90	52.2 Å²	52.2	42%	0.421	25%	0.246	S	C	.	.	S	Bend	trans	-67.1	-41.4	-173.8	-154.7	157.4	141.8	0	0	111.7	R647 R769	E622-R647 PolarHBondContact O-NH1 2.98Å; E622-R769 IonicContact OE1-NH1 3.74Å; E622-R769 IonicContact OE2-CZ 3.73Å; E622-R769 IonicContact OE2-NH1 3.56Å; E622-R769 PolarHBondContact OE2-NH1 3.04Å; E622-R769 IonicContact OE2-NH2 2.74Å; E622-R769 PolarHBondContact OE2-NH2 3.45Å
623	F	62.6	Low	81.2	Confident	105 Å²	105	56.2 Å²	56.2	46%	0.461	27%	0.266	S	S	.	.	S	Bend	trans	-120.1	-4.1	-176.9	-58.8	-89.9	0	0	0	114.9	D575 R647	D575-F623 HydrophobicContact CB-CE2 4.23Å; D575-F623 WeakPolarHBondContact OD1-CD2 3.35Å; D575-F623 WeakPolarHBondContact OD1-CE2 3.16Å; D575-F623 WeakPolarHBondContact OD1-CG 3.33Å; D575-F623 WeakPolarHBondContact OD2-CD2 3.45Å; D575-F623 WeakPolarHBondContact OD2-CE2 3.41Å; F623-R647 PolarHBondContact O-N 2.83Å; F623-R647 VanDerWaalsContact O-N 3.16Å
624	S	71.5	Confident	80.9	Confident	14 Å²	14	55.5 Å²	55.5	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.6	-178	68.8	0	0	0	0	113.5	G621 K644 T645	G621-S624 PolarHBondContact N-O 2.82Å; S624-K644 WeakPolarHBondContact OG-CE 3.49Å; S624-T645 WeakPolarHBondContact CA-O 3.24Å; S624-T645 VanDerWaalsContact CB-O 3.26Å; S624-T645 WeakPolarHBondContact CB-O 3.21Å
625	E	77.6	Confident	80.5	Confident	38 Å²	38	60.4 Å²	60.4	18%	0.178	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.6	176.3	-49.3	-162.7	153.3	0	0	110.7	K617 E620 H627 T645 R647	K617-E625 WeakPolarHBondContact CE-OE2 3.37Å; K617-E625 IonicContact NZ-OE1 3.8Å; K617-E625 PolarHBondContact NZ-OE1 2.96Å; K617-E625 IonicContact NZ-OE2 2.83Å; K617-E625 PolarHBondContact NZ-OE2 3.13Å; E620-E625 HydrophobicContact CG-CG 4.44Å; E625-H627 IonicContact OE2-CE1 3.56Å; E625-H627 PolarHBondContact OE2-CE1 3.41Å; E625-H627 IonicContact OE2-NE2 2.94Å; E625-T645 PolarHBondContact N-O 2.78Å; E625-T645 VanDerWaalsContact N-O 3.08Å; E625-T645 PolarHBondContact O-N 3.26Å; E625-T645 PolarHBondContact O-OG1 2.9Å; E625-R647 IonicContact OE1-CZ 2.68Å; E625-R647 IonicContact OE1-NE 3.09Å; E625-R647 PolarHBondContact OE1-NE 3.4Å; E625-R647 IonicContact OE1-NH2 3.91Å; E625-R647 PolarHBondContact OE1-NH2 2.76Å
626	V	84.2	Confident	80.2	Confident	11 Å²	11	61.5 Å²	61.5	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.8	179.2	-178.8	0	0	0	0	110.8	L618 G619 A642 V643 K644 M758	L618-V626 HydrophobicContact CB-CG1 4.3Å; L618-V626 HydrophobicContact CD1-CG1 4.33Å; L618-V626 PolarHBondContact N-O 3.06Å; G619-V626 PolarHBondContact N-O 3Å; G619-V626 VanDerWaalsContact N-O 3.11Å; G619-V626 PolarHBondContact O-N 3.1Å; V626-A642 HydrophobicContact CG1-CB 4.19Å; V626-V643 WeakPolarHBondContact CA-O 3.23Å; V626-K644 HydrophobicContact CG2-CB 3.91Å; V626-K644 HydrophobicContact CG2-CG 3.93Å; V626-M758 HydrophobicContact CB-CE 4.06Å; V626-M758 HydrophobicContact CG2-CE 3.43Å; V626-M758 VanDerWaalsContact CG2-CE 3.43Å; V626-M758 HydrophobicContact CG2-CG 4.13Å; V626-M758 HydrophobicContact CG2-SD 3.41Å; V626-M758 WeakPolarHBondContact CG2-SD 3.02Å
627	H	86.9	Confident	80.3	Confident	31 Å²	31	59.8 Å²	59.8	14%	0.144	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.2	-177.3	-66.6	83.3	0	0	0	110.8	M614 E616 E625 V643	M614-H627 HydrophobicContact CE-CB 3.55Å; M614-H627 VanDerWaalsContact CE-CG 3.48Å; E616-H627 CarbonylContact O-C 3.41Å; E616-H627 WeakPolarHBondContact O-CA 3.41Å; E625-H627 IonicContact OE2-CE1 3.56Å; E625-H627 PolarHBondContact OE2-CE1 3.41Å; E625-H627 IonicContact OE2-NE2 2.94Å; H627-V643 PolarHBondContact N-O 2.96Å; H627-V643 PolarHBondContact O-N 2.82Å
628	L	89.7	Confident	80.5	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.3	162	-173.9	57.7	0	0	0	107.6	Q615 E616 L618 Q640 R692	Q615-L628 WeakPolarHBondContact CA-O 3.45Å; Q615-L628 HydrophobicContact CB-CB 4.36Å; Q615-L628 HydrophobicContact CB-CG 4.45Å; Q615-L628 VanDerWaalsContact CB-O 3.31Å; Q615-L628 WeakPolarHBondContact CB-O 3.28Å; Q615-L628 PolarHBondContact N-O 3.14Å; E616-L628 HydrophobicContact CG-CB 3.66Å; E616-L628 HydrophobicContact CG-CD2 3.79Å; E616-L628 HydrophobicContact CG-CG 4.38Å; E616-L628 PolarHBondContact O-N 3.33Å; E616-L628 WeakPolarHBondContact OE1-CD2 3.27Å; L618-L628 HydrophobicContact CD1-CB 3.97Å; L618-L628 HydrophobicContact CD1-CD1 4.46Å; L618-L628 HydrophobicContact CD2-CB 4.13Å; L618-L628 HydrophobicContact CG-CB 3.97Å; L628-Q640 HydrophobicContact CD1-CB 4.08Å; L628-Q640 HydrophobicContact CD1-CG 4.29Å; L628-R692 HydrophobicContact CD1-CG 4.27Å; L628-R692 VanDerWaalsContact CD1-NE 3.31Å
629	C	92	Very high	81.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.7	175.7	-59.7	0	0	0	0	110	E613 M614 Q640 V641 V643	E613-C629 CarbonylContact O-C 3.42Å; E613-C629 VanDerWaalsContact O-CA 3.3Å; E613-C629 WeakPolarHBondContact O-CA 3.26Å; M614-C629 PolarHBondContact SD-SG 3.34Å; C629-Q640 WeakPolarHBondContact O-CA 3.47Å; C629-V641 HydrophobicContact CB-CG2 3.91Å; C629-V641 PolarHBondContact N-O 2.87Å; C629-V641 PolarHBondContact O-N 3.19Å; C629-V643 HydrophobicContact CB-CG2 3.75Å; C629-V643 WeakPolarHBondContact SG-CG2 3.17Å
630	R	93.5	Very high	82.3	Confident	85 Å²	85	61.6 Å²	61.6	32%	0.321	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.7	166.2	-172.2	174.4	79.3	123.5	-11.3	108.4	E613 S638 C639	E613-R630 HydrophobicContact CB-CB 4.28Å; E613-R630 PolarHBondContact N-O 2.61Å; E613-R630 PolarHBondContact O-N 3.35Å; E613-R630 IonicContact OE2-CZ 3.17Å; E613-R630 IonicContact OE2-NE 3.53Å; E613-R630 PolarHBondContact OE2-NE 2.97Å; E613-R630 IonicContact OE2-NH2 2.72Å; E613-R630 PolarHBondContact OE2-NH2 2.66Å; R630-S638 WeakPolarHBondContact CD-OG 3.49Å; R630-S638 PolarHBondContact NH1-OG 3.46Å; R630-C639 CarbonylContact C-O 3.53Å; R630-C639 WeakPolarHBondContact CA-O 3.17Å
631	M	92.8	Very high	83.3	Confident	28 Å²	28	57.4 Å²	57.4	14%	0.138	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.6	178.2	-173.8	172.2	71.3	0	0	109.8	V607 R611 L612 I633 S638 C639 V641 V689	V607-M631 HydrophobicContact CG1-CG 4.32Å; V607-M631 HydrophobicContact CG1-SD 3.8Å; V607-M631 HydrophobicContact CG2-SD 4.13Å; R611-M631 WeakPolarHBondContact O-CA 3.45Å; L612-M631 HydrophobicContact CD2-CB 3.94Å; L612-M631 HydrophobicContact CD2-CG 3.88Å; L612-M631 HydrophobicContact CD2-SD 4.16Å; M631-I633 PolarHBondContact O-N 3.21Å; M631-S638 CarbonylContact O-C 3.36Å; M631-S638 WeakPolarHBondContact O-CA 3.3Å; M631-S638 WeakPolarHBondContact O-CB 3.41Å; M631-C639 PolarHBondContact N-O 3.18Å; M631-C639 PolarHBondContact O-N 2.89Å; M631-V641 HydrophobicContact CB-CG1 4.08Å; M631-V641 HydrophobicContact CB-CG2 3.91Å; M631-V641 HydrophobicContact CE-CG1 4Å; M631-V641 HydrophobicContact SD-CG1 4.41Å; M631-V689 HydrophobicContact SD-CG1 4.28Å
632	K	90.9	Very high	84.7	Confident	91 Å²	91	57.7 Å²	57.7	40%	0.396	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.1	171	-65.4	-178.6	-178.7	178.2	0	109.9	R611	R611-K632 HydrophobicContact CB-CB 4.27Å; R611-K632 WeakPolarHBondContact CD-O 3.46Å; R611-K632 PolarHBondContact O-N 2.68Å
633	I	85.8	Confident	86.1	Confident	93 Å²	93	53.4 Å²	53.4	48%	0.477	28%	0.284	S	S	.	.	S	Bend	trans	-80.2	-46	172.5	-57.3	178.8	0	0	0	108.7	R611 M631 V637 C639	R611-I633 PolarHBondContact NH1-O 3.28Å; M631-I633 PolarHBondContact O-N 3.21Å; I633-V637 HydrophobicContact CD1-CG1 4.29Å; I633-V637 PolarHBondContact N-O 3.4Å; I633-C639 HydrophobicContact CD1-CB 4.38Å
634	N	84.8	Confident	87.2	Confident	76 Å²	76	49.3 Å²	49.3	41%	0.406	27%	0.266	S	S	.	.	S	Bend	trans	-146.9	-179.5	170.1	57.8	40.1	0	0	0	109	S636 V637	N634-S636 PolarHBondContact O-N 3Å; N634-S636 VanDerWaalsContact O-N 3.12Å; N634-S636 PolarHBondContact OD1-N 3.39Å; N634-S636 PolarHBondContact OD1-OG 3.43Å; N634-V637 PolarHBondContact N-O 2.81Å; N634-V637 PolarHBondContact O-N 3.26Å; N634-V637 VanDerWaalsContact O-O 3.13Å; N634-V637 VanDerWaalsContact OD1-CB 3.32Å; N634-V637 WeakPolarHBondContact OD1-CB 3.36Å; N634-V637 WeakPolarHBondContact OD1-CG2 3.47Å; N634-V637 PolarHBondContact OD1-N 2.96Å
635	D	79.4	Confident	87.5	Confident	171 Å²	171	49.7 Å²	49.7	91%	0.914	27%	0.268	S	S	*	.	S	Bend	trans	-61.2	-24.9	-173.9	-66	-43.8	0	0	0	114.3
636	S	82	Confident	87.1	Confident	107 Å²	107	50.4 Å²	50.4	75%	0.748	27%	0.269	S	S	*	.	S	Bend	trans	-97.7	-25.2	-179.4	47.3	0	0	0	0	115	N634	N634-S636 PolarHBondContact O-N 3Å; N634-S636 VanDerWaalsContact O-N 3.12Å; N634-S636 PolarHBondContact OD1-N 3.39Å; N634-S636 PolarHBondContact OD1-OG 3.43Å
637	V	88.1	Confident	85.8	Confident	71 Å²	71	54.8 Å²	54.8	43%	0.43	28%	0.284	S	S	.	.			trans	-122.8	123.9	-169.9	-175.8	0	0	0	0	110.6	I633 N634	I633-V637 HydrophobicContact CD1-CG1 4.29Å; I633-V637 PolarHBondContact N-O 3.4Å; N634-V637 PolarHBondContact N-O 2.81Å; N634-V637 PolarHBondContact O-N 3.26Å; N634-V637 VanDerWaalsContact O-O 3.13Å; N634-V637 VanDerWaalsContact OD1-CB 3.32Å; N634-V637 WeakPolarHBondContact OD1-CB 3.36Å; N634-V637 WeakPolarHBondContact OD1-CG2 3.47Å; N634-V637 PolarHBondContact OD1-N 2.96Å
638	S	88.8	Confident	84	Confident	46 Å²	46	57.5 Å²	57.5	32%	0.322	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.7	173.3	63.5	0	0	0	0	111.5	R630 M631	R630-S638 WeakPolarHBondContact CD-OG 3.49Å; R630-S638 PolarHBondContact NH1-OG 3.46Å; M631-S638 CarbonylContact O-C 3.36Å; M631-S638 WeakPolarHBondContact O-CA 3.3Å; M631-S638 WeakPolarHBondContact O-CB 3.41Å
639	C	91.7	Very high	82.1	Confident	44 Å²	44	60.8 Å²	60.8	30%	0.297	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	166	172.2	63.5	0	0	0	0	111.1	R630 M631 I633	R630-C639 CarbonylContact C-O 3.53Å; R630-C639 WeakPolarHBondContact CA-O 3.17Å; M631-C639 PolarHBondContact N-O 3.18Å; M631-C639 PolarHBondContact O-N 2.89Å; I633-C639 HydrophobicContact CD1-CB 4.38Å
640	Q	92.7	Very high	79.9	Confident	89 Å²	89	62.9 Å²	62.9	42%	0.416	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.6	166.4	-78.5	-167.2	-27.8	0	0	110.8	L628 C629 R692	L628-Q640 HydrophobicContact CD1-CB 4.08Å; L628-Q640 HydrophobicContact CD1-CG 4.29Å; C629-Q640 WeakPolarHBondContact O-CA 3.47Å; Q640-R692 HydrophobicContact CB-CB 4.23Å; Q640-R692 HydrophobicContact CB-CG 4.18Å; Q640-R692 WeakPolarHBondContact O-CB 3.34Å
641	V	93.1	Very high	77.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.8	179.5	-63.1	0	0	0	0	109.5	L612 C629 M631 V643 L677 V689 F690	L612-V641 HydrophobicContact CD2-CG2 4.14Å; C629-V641 HydrophobicContact CB-CG2 3.91Å; C629-V641 PolarHBondContact N-O 2.87Å; C629-V641 PolarHBondContact O-N 3.19Å; M631-V641 HydrophobicContact CB-CG1 4.08Å; M631-V641 HydrophobicContact CB-CG2 3.91Å; M631-V641 HydrophobicContact CE-CG1 4Å; M631-V641 HydrophobicContact SD-CG1 4.41Å; V641-V643 HydrophobicContact CG2-CG2 4.01Å; V641-L677 HydrophobicContact CG1-CD1 3.86Å; V641-V689 HydrophobicContact CB-CG1 3.77Å; V641-V689 HydrophobicContact CG1-CG1 4.05Å; V641-V689 HydrophobicContact CG2-CG1 3.75Å; V641-F690 WeakPolarHBondContact CA-O 3.22Å; V641-F690 WeakPolarHBondContact CB-O 3.42Å
642	A	91.1	Very high	75.4	Confident	14 Å²	14	71.1 Å²	71.1	12%	0.116	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.2	169.8	0	0	0	0	0	109.3	L618 V626 F690	L618-A642 HydrophobicContact CD1-CB 4.33Å; V626-A642 HydrophobicContact CG1-CB 4.19Å; A642-F690 HydrophobicContact CB-CB 4.44Å; A642-F690 PolarHBondContact N-O 2.93Å; A642-F690 PolarHBondContact O-N 2.83Å
643	V	88.9	Confident	73.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.7	-177.9	-178.2	0	0	0	0	110.1	L612 V626 H627 C629 V641 T645 L687 L688 V689	L612-V643 HydrophobicContact CD2-CG2 4.34Å; V626-V643 WeakPolarHBondContact CA-O 3.23Å; H627-V643 PolarHBondContact N-O 2.96Å; H627-V643 PolarHBondContact O-N 2.82Å; C629-V643 HydrophobicContact CB-CG2 3.75Å; C629-V643 WeakPolarHBondContact SG-CG2 3.17Å; V641-V643 HydrophobicContact CG2-CG2 4.01Å; V643-T645 HydrophobicContact CG1-CG2 4.25Å; V643-L687 HydrophobicContact CG1-CB 3.8Å; V643-L687 HydrophobicContact CG1-CD1 4.47Å; V643-L687 HydrophobicContact CG1-CD2 4.3Å; V643-L687 HydrophobicContact CG1-CG 4.42Å; V643-L688 CarbonylContact C-O 3.55Å; V643-L688 VanDerWaalsContact CA-O 3.3Å; V643-L688 WeakPolarHBondContact CA-O 3.39Å; V643-V689 HydrophobicContact CG2-CG1 4.39Å; V643-V689 HydrophobicContact CG2-CG2 4.31Å
644	K	85.1	Confident	71.7	Confident	18 Å²	18	69.9 Å²	69.9	8%	0.078	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126	173.2	-171.5	173.7	177.6	-179.7	0	108.5	S624 V626 E661 L687 L688 F690 D755 F756 M758	S624-K644 WeakPolarHBondContact OG-CE 3.49Å; V626-K644 HydrophobicContact CG2-CB 3.91Å; V626-K644 HydrophobicContact CG2-CG 3.93Å; K644-E661 IonicContact NZ-OE1 2.66Å; K644-L687 WeakPolarHBondContact O-CA 3.26Å; K644-L688 HydrophobicContact CB-CB 4.3Å; K644-L688 PolarHBondContact N-O 2.89Å; K644-L688 PolarHBondContact O-N 2.93Å; K644-F690 HydrophobicContact CB-CD2 4.48Å; K644-F690 HydrophobicContact CB-CE2 4Å; K644-F690 HydrophobicContact CD-CE2 4.39Å; K644-D755 IonicContact NZ-OD1 2.77Å; K644-D755 PolarHBondContact NZ-OD1 2.83Å; K644-F756 PolarHBondContact NZ-O 3.37Å; K644-M758 HydrophobicContact CD-CG 4.17Å; K644-M758 HydrophobicContact CD-SD 4.17Å
645	T	78.5	Confident	70.4	Confident	22 Å²	22	68.1 Å²	68.1	14%	0.135	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.9	-175.9	69.9	0	0	0	0	110	M614 S624 E625 V643 L687	M614-T645 HydrophobicContact CE-CG2 4.33Å; S624-T645 WeakPolarHBondContact CA-O 3.24Å; S624-T645 VanDerWaalsContact CB-O 3.26Å; S624-T645 WeakPolarHBondContact CB-O 3.21Å; E625-T645 PolarHBondContact N-O 2.78Å; E625-T645 VanDerWaalsContact N-O 3.08Å; E625-T645 PolarHBondContact O-N 3.26Å; E625-T645 PolarHBondContact O-OG1 2.9Å; V643-T645 HydrophobicContact CG1-CG2 4.25Å; T645-L687 HydrophobicContact CG2-CD2 3.48Å; T645-L687 VanDerWaalsContact CG2-CD2 3.48Å
646	R	68.7	Low	69.3	Low	53 Å²	53	66.8 Å²	66.8	20%	0.2	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136.7	168.7	-168.2	178.3	74.1	128.9	-3.3	109.2	D684	R646-D684 PolarHBondContact NH2-O 3.31Å; R646-D684 VanDerWaalsContact NH2-O 3.08Å
647	R	58.3	Low	68	Low	103 Å²	103	63.4 Å²	63.4	39%	0.389	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-68.1	133.6	167.9	-74.7	179.7	169.9	161	-5.4	109.7	E620 E622 F623 E625 G649	E620-R647 VanDerWaalsContact CD-NH2 3.32Å; E620-R647 IonicContact OE1-CZ 2.74Å; E620-R647 IonicContact OE1-NH2 2.75Å; E620-R647 PolarHBondContact OE1-NH2 2.94Å; E622-R647 PolarHBondContact O-NH1 2.98Å; F623-R647 PolarHBondContact O-N 2.83Å; F623-R647 VanDerWaalsContact O-N 3.16Å; E625-R647 IonicContact OE1-CZ 2.68Å; E625-R647 IonicContact OE1-NE 3.09Å; E625-R647 PolarHBondContact OE1-NE 3.4Å; E625-R647 IonicContact OE1-NH2 3.91Å; E625-R647 PolarHBondContact OE1-NH2 2.76Å; R647-G649 PolarHBondContact O-N 2.88Å
648	S	49.1	Very low	66.9	Low	89 Å²	89	61.2 Å²	61.2	62%	0.622	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	130	173.9	-54.5	0	0	0	0	110.5	N685	S648-N685 PolarHBondContact OG-OD1 3.16Å
649	G	49.8	Very low	65.9	Low	77 Å²	77	60.1 Å²	60.1	79%	0.794	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.6	-1.6	174.4	0	0	0	0	0	117.9	R647	R647-G649 PolarHBondContact O-N 2.88Å
650	G	44.4	Very low	64.6	Low	43 Å²	43	64.4 Å²	64.4	44%	0.443	35%	0.346	S	S	.	.			trans	-89.2	136.3	-179.2	0	0	0	0	0	114.9
651	N	44.8	Very low	63.4	Low	142 Å²	142	62.1 Å²	62.1	76%	0.759	34%	0.335	S	S	*	.			trans	-57.1	158.9	177.2	-68.5	-13.7	0	0	0	114.1	H653 C654	N651-H653 PolarHBondContact O-N 3.21Å; N651-C654 WeakPolarHBondContact O-CB 3.22Å; N651-C654 PolarHBondContact O-N 3.41Å
652	D	48	Very low	62.6	Low	144 Å²	144	62.1 Å²	62.1	77%	0.77	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-31.6	-176.2	-83.6	-7.1	0	0	0	116	C654 W655	D652-C654 PolarHBondContact O-N 2.71Å; D652-W655 VanDerWaalsContact O-CB 3.25Å; D652-W655 WeakPolarHBondContact O-CB 3.36Å; D652-W655 PolarHBondContact O-N 3.43Å
653	H	47.2	Very low	62	Low	104 Å²	104	66 Å²	66	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-32.7	177.3	-91.8	-109.5	0	0	0	113.3	T577 N651 W655 K656	T577-H653 PolarHBondContact OG1-ND1 3.42Å; N651-H653 PolarHBondContact O-N 3.21Å; H653-W655 PolarHBondContact O-N 3.49Å; H653-W655 VanDerWaalsContact O-N 3.16Å; H653-K656 PolarHBondContact O-N 3.42Å
654	C	51.7	Low	61.4	Low	55 Å²	55	68 Å²	68	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-59.2	-25.5	174.7	-178.9	0	0	0	0	112.4	N651 D652 F658	N651-C654 WeakPolarHBondContact O-CB 3.22Å; N651-C654 PolarHBondContact O-N 3.41Å; D652-C654 PolarHBondContact O-N 2.71Å; C654-F658 WeakPolarHBondContact O-CB 3.46Å; C654-F658 PolarHBondContact O-N 2.83Å
655	W	57.5	Low	61.2	Low	39 Å²	39	67.6 Å²	67.6	15%	0.148	36%	0.357	C	S	.	.	H	α-helix	trans	-70.2	-41.9	-179.1	-174.5	-110.2	0	0	0	113.2	L595 L598 D652 H653 D657 F658 E659	L595-W655 HydrophobicContact CD1-CH2 3.91Å; L595-W655 HydrophobicContact CD1-CZ2 4.49Å; L595-W655 HydrophobicContact CD1-CZ3 4.11Å; L595-W655 HydrophobicContact CD2-CH2 3.43Å; L595-W655 VanDerWaalsContact CD2-CH2 3.43Å; L595-W655 HydrophobicContact CD2-CZ2 4.03Å; L595-W655 HydrophobicContact CD2-CZ3 4.28Å; L595-W655 HydrophobicContact CG-CH2 3.37Å; L595-W655 HydrophobicContact CG-CZ2 3.68Å; L595-W655 HydrophobicContact CG-CZ3 4.08Å; L598-W655 HydrophobicContact CD2-CH2 4.45Å; L598-W655 HydrophobicContact CD2-CZ2 3.81Å; D652-W655 VanDerWaalsContact O-CB 3.25Å; D652-W655 WeakPolarHBondContact O-CB 3.36Å; D652-W655 PolarHBondContact O-N 3.43Å; H653-W655 PolarHBondContact O-N 3.49Å; H653-W655 VanDerWaalsContact O-N 3.16Å; W655-D657 PolarHBondContact O-N 2.6Å; W655-F658 HydrophobicContact CE3-CD1 4.02Å; W655-F658 AromaticContact CH2-CD1 3.64Å; W655-F658 HydrophobicContact CH2-CD1 3.64Å; W655-F658 AromaticContact CH2-CE1 3.78Å; W655-F658 HydrophobicContact CH2-CE1 3.78Å; W655-F658 AromaticContact CZ3-CD1 3.36Å; W655-F658 HydrophobicContact CZ3-CD1 3.36Å; W655-F658 AromaticContact CZ3-CE1 3.72Å; W655-F658 HydrophobicContact CZ3-CE1 3.72Å; W655-F658 HydrophobicContact CZ3-CG 4.33Å; W655-F658 PolarHBondContact O-N 3.45Å; W655-E659 VanDerWaalsContact O-CB 3.27Å; W655-E659 WeakPolarHBondContact O-CB 3.38Å; W655-E659 PolarHBondContact O-N 3.08Å
656	K	56	Low	61.4	Low	142 Å²	142	68.1 Å²	68.1	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-67.6	-37.2	-177.3	-76.3	-176.3	177.3	176.8	0	113	H653 R660	H653-K656 PolarHBondContact O-N 3.42Å; K656-R660 WeakPolarHBondContact O-CB 3.36Å; K656-R660 PolarHBondContact O-N 3.3Å
657	D	54	Low	62	Low	36 Å²	36	72.7 Å²	72.7	19%	0.193	39%	0.386	C	S	.	.	H	α-helix	trans	-72.9	-41.9	177.4	-72	-29.1	0	0	0	111.2	T577 W655 E659 R660 E661	T577-D657 WeakPolarHBondContact CG2-OD2 3.1Å; W655-D657 PolarHBondContact O-N 2.6Å; D657-E659 VanDerWaalsContact C-N 3.33Å; D657-E659 PolarHBondContact O-N 2.86Å; D657-R660 WeakPolarHBondContact O-CB 3.1Å; D657-R660 PolarHBondContact O-N 3.49Å; D657-R660 VanDerWaalsContact O-N 3.09Å; D657-R660 IonicContact OD1-NH1 4Å; D657-E661 PolarHBondContact O-N 2.83Å
658	F	64.7	Low	63.4	Low	26 Å²	26	68.4 Å²	68.4	11%	0.114	37%	0.37	C	S	.	.	H	α-helix	trans	-58.2	-44.6	171.8	178.1	-95.1	0	0	0	111.9	C654 W655 R660 E661 L662 C686 L688	C654-F658 WeakPolarHBondContact O-CB 3.46Å; C654-F658 PolarHBondContact O-N 2.83Å; W655-F658 HydrophobicContact CE3-CD1 4.02Å; W655-F658 AromaticContact CH2-CD1 3.64Å; W655-F658 HydrophobicContact CH2-CD1 3.64Å; W655-F658 AromaticContact CH2-CE1 3.78Å; W655-F658 HydrophobicContact CH2-CE1 3.78Å; W655-F658 AromaticContact CZ3-CD1 3.36Å; W655-F658 HydrophobicContact CZ3-CD1 3.36Å; W655-F658 AromaticContact CZ3-CE1 3.72Å; W655-F658 HydrophobicContact CZ3-CE1 3.72Å; W655-F658 HydrophobicContact CZ3-CG 4.33Å; W655-F658 PolarHBondContact O-N 3.45Å; F658-R660 VanDerWaalsContact C-N 3.31Å; F658-R660 PolarHBondContact O-N 2.86Å; F658-E661 PolarHBondContact O-N 3.41Å; F658-L662 HydrophobicContact CE1-CD2 4.26Å; F658-L662 VanDerWaalsContact O-CB 3.26Å; F658-L662 WeakPolarHBondContact O-CB 3.45Å; F658-L662 PolarHBondContact O-N 3.49Å; F658-C686 HydrophobicContact CE1-CB 3.92Å; F658-C686 HydrophobicContact CZ-CB 3.8Å; F658-C686 WeakPolarHBondContact CZ-SG 3.1Å; F658-L688 HydrophobicContact CE2-CD1 4.09Å; F658-L688 HydrophobicContact CE2-CD2 4.14Å; F658-L688 HydrophobicContact CE2-CG 4.17Å; F658-L688 HydrophobicContact CZ-CD1 4.49Å; F658-L688 HydrophobicContact CZ-CD2 3.71Å; F658-L688 HydrophobicContact CZ-CG 4.19Å
659	E	68.7	Low	65.4	Low	22 Å²	22	68.4 Å²	68.4	10%	0.103	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-41.9	173.3	165.4	173.8	176.8	0	0	111.6	L598 W655 D657 L662 R663	L598-E659 HydrophobicContact CD1-CG 3.8Å; L598-E659 HydrophobicContact CD2-CB 3.79Å; L598-E659 HydrophobicContact CD2-CG 3.62Å; L598-E659 HydrophobicContact CG-CG 4.37Å; W655-E659 VanDerWaalsContact O-CB 3.27Å; W655-E659 WeakPolarHBondContact O-CB 3.38Å; W655-E659 PolarHBondContact O-N 3.08Å; D657-E659 VanDerWaalsContact C-N 3.33Å; D657-E659 PolarHBondContact O-N 2.86Å; E659-L662 PolarHBondContact O-N 3.29Å; E659-R663 VanDerWaalsContact CG-NH1 3.3Å; E659-R663 WeakPolarHBondContact O-CG 3.43Å; E659-R663 PolarHBondContact O-N 2.86Å; E659-R663 IonicContact OE1-CZ 2.9Å; E659-R663 IonicContact OE1-NH1 2.73Å; E659-R663 PolarHBondContact OE1-NH1 2.83Å; E659-R663 IonicContact OE1-NH2 3.68Å; E659-R663 PolarHBondContact OE1-NH2 3.26Å
660	R	65.1	Low	67.6	Low	135 Å²	135	66.7 Å²	66.7	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-68.9	-42.9	179	-164.3	-173	-66	164.2	-3.4	112.3	Y571 K656 D657 F658 R663 V664	Y571-R660 PolarHBondContact OH-NH1 3.41Å; Y571-R660 VanDerWaalsContact OH-NH1 3.11Å; K656-R660 WeakPolarHBondContact O-CB 3.36Å; K656-R660 PolarHBondContact O-N 3.3Å; D657-R660 WeakPolarHBondContact O-CB 3.1Å; D657-R660 PolarHBondContact O-N 3.49Å; D657-R660 VanDerWaalsContact O-N 3.09Å; D657-R660 IonicContact OD1-NH1 4Å; F658-R660 VanDerWaalsContact C-N 3.31Å; F658-R660 PolarHBondContact O-N 2.86Å; R660-R663 PolarHBondContact O-N 3.44Å; R660-V664 PolarHBondContact O-N 2.98Å
661	E	67.4	Low	70.1	Confident	40 Å²	40	67.9 Å²	67.9	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-47.2	172.8	-170.8	-168	156.1	0	0	110.3	K644 D657 F658 R663 V664 L665	K644-E661 IonicContact NZ-OE1 2.66Å; D657-E661 PolarHBondContact O-N 2.83Å; F658-E661 PolarHBondContact O-N 3.41Å; E661-R663 VanDerWaalsContact C-N 3.35Å; E661-R663 PolarHBondContact O-N 3.41Å; E661-V664 WeakPolarHBondContact O-CB 3.18Å; E661-V664 PolarHBondContact O-N 3.29Å; E661-L665 HydrophobicContact CG-CD1 3.89Å; E661-L665 HydrophobicContact CG-CG 4.29Å; E661-L665 WeakPolarHBondContact O-CG 3.36Å; E661-L665 PolarHBondContact O-N 2.93Å
662	L	76.1	Confident	72.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-38.8	178.7	-175.7	62.2	0	0	0	112.6	L598 F599 L602 F658 E659 V664 L665 A666 L676 V679 L688	L598-L662 HydrophobicContact CD2-CD2 4.32Å; F599-L662 HydrophobicContact CD1-CD2 3.79Å; F599-L662 HydrophobicContact CE1-CD2 3.54Å; L602-L662 HydrophobicContact CD1-CB 4.5Å; L602-L662 HydrophobicContact CD1-CD2 4.08Å; L602-L662 HydrophobicContact CD1-CG 3.8Å; F658-L662 HydrophobicContact CE1-CD2 4.26Å; F658-L662 VanDerWaalsContact O-CB 3.26Å; F658-L662 WeakPolarHBondContact O-CB 3.45Å; F658-L662 PolarHBondContact O-N 3.49Å; E659-L662 PolarHBondContact O-N 3.29Å; L662-V664 PolarHBondContact O-N 2.78Å; L662-L665 PolarHBondContact O-N 2.75Å; L662-A666 VanDerWaalsContact O-CB 3.26Å; L662-A666 WeakPolarHBondContact O-CB 2.89Å; L662-A666 PolarHBondContact O-N 2.93Å; L662-L676 HydrophobicContact CD1-CD2 3.52Å; L662-V679 HydrophobicContact CD1-CG1 3.9Å; L662-V679 HydrophobicContact CD2-CG1 4.47Å; L662-L688 HydrophobicContact CD1-CD2 3.79Å
663	R	77.6	Confident	74.8	Confident	94 Å²	94	55.3 Å²	55.3	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-59.1	-30.6	174	-70	-130.8	169	72.8	1.5	113.2	L602 E659 R660 E661 K667	L602-R663 HydrophobicContact CD1-CG 4.33Å; L602-R663 HydrophobicContact CD2-CB 4.19Å; L602-R663 HydrophobicContact CD2-CG 3.9Å; E659-R663 VanDerWaalsContact CG-NH1 3.3Å; E659-R663 WeakPolarHBondContact O-CG 3.43Å; E659-R663 PolarHBondContact O-N 2.86Å; E659-R663 IonicContact OE1-CZ 2.9Å; E659-R663 IonicContact OE1-NH1 2.73Å; E659-R663 PolarHBondContact OE1-NH1 2.83Å; E659-R663 IonicContact OE1-NH2 3.68Å; E659-R663 PolarHBondContact OE1-NH2 3.26Å; R660-R663 PolarHBondContact O-N 3.44Å; E661-R663 VanDerWaalsContact C-N 3.35Å; E661-R663 PolarHBondContact O-N 3.41Å; R663-K667 WeakPolarHBondContact O-CD 3.35Å; R663-K667 WeakPolarHBondContact O-CG 3.45Å
664	V	76.4	Confident	77	Confident	44 Å²	44	50.9 Å²	50.9	27%	0.267	25%	0.253	S	S	.	.	H	α-helix	trans	-79.7	-57.7	175	172.3	0	0	0	0	109.5	R660 E661 L662 A666 K667 L668 F733	R660-V664 PolarHBondContact O-N 2.98Å; E661-V664 WeakPolarHBondContact O-CB 3.18Å; E661-V664 PolarHBondContact O-N 3.29Å; L662-V664 PolarHBondContact O-N 2.78Å; V664-A666 VanDerWaalsContact C-N 3.27Å; V664-A666 PolarHBondContact O-N 2.82Å; V664-K667 WeakPolarHBondContact O-CB 3.45Å; V664-K667 PolarHBondContact O-N 3.43Å; V664-L668 HydrophobicContact CG1-CD1 4.28Å; V664-L668 HydrophobicContact CG1-CD2 4.46Å; V664-L668 HydrophobicContact CG1-CG 4.41Å; V664-L668 PolarHBondContact O-N 3.15Å; V664-F733 HydrophobicContact CB-CE2 4.33Å; V664-F733 HydrophobicContact CG1-CD2 3.8Å; V664-F733 HydrophobicContact CG1-CE2 3.36Å; V664-F733 HydrophobicContact CG1-CZ 3.97Å; V664-F733 HydrophobicContact CG2-CE2 4.09Å
665	L	80.8	Confident	78.8	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-55.1	-40.1	-174.9	-71.6	175.4	0	0	0	112.7	E661 L662 K667 L668 L676 L688 F690 F756	E661-L665 HydrophobicContact CG-CD1 3.89Å; E661-L665 HydrophobicContact CG-CG 4.29Å; E661-L665 WeakPolarHBondContact O-CG 3.36Å; E661-L665 PolarHBondContact O-N 2.93Å; L662-L665 PolarHBondContact O-N 2.75Å; L665-K667 PolarHBondContact O-N 3.32Å; L665-K667 VanDerWaalsContact O-N 3.16Å; L665-L668 HydrophobicContact CD2-CD1 4.28Å; L665-L668 PolarHBondContact O-N 3.31Å; L665-L676 HydrophobicContact CB-CD2 4.27Å; L665-L688 HydrophobicContact CD1-CD1 4.24Å; L665-F690 HydrophobicContact CD1-CZ 4.25Å; L665-F756 HydrophobicContact CD2-CD2 4.15Å; L665-F756 HydrophobicContact CD2-CE2 4.12Å
666	A	82.4	Confident	80.3	Confident	34 Å²	34	52.3 Å²	52.3	28%	0.281	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.3	177.9	0	0	0	0	0	114.3	L602 C604 L662 V664 L676	L602-A666 HydrophobicContact CB-CB 4.29Å; L602-A666 HydrophobicContact CD1-CB 4.48Å; C604-A666 HydrophobicContact CB-CB 4.48Å; L662-A666 VanDerWaalsContact O-CB 3.26Å; L662-A666 WeakPolarHBondContact O-CB 2.89Å; L662-A666 PolarHBondContact O-N 2.93Å; V664-A666 VanDerWaalsContact C-N 3.27Å; V664-A666 PolarHBondContact O-N 2.82Å; A666-L676 HydrophobicContact CB-CD2 4.46Å
667	K	82.7	Confident	82	Confident	149 Å²	149	48.3 Å²	48.3	65%	0.648	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-5.6	178.5	-62.6	179.2	-177	-178.9	0	113.7	R663 V664 L665 D669 Y727	R663-K667 WeakPolarHBondContact O-CD 3.35Å; R663-K667 WeakPolarHBondContact O-CG 3.45Å; V664-K667 WeakPolarHBondContact O-CB 3.45Å; V664-K667 PolarHBondContact O-N 3.43Å; L665-K667 PolarHBondContact O-N 3.32Å; L665-K667 VanDerWaalsContact O-N 3.16Å; K667-D669 PolarHBondContact O-N 2.76Å; K667-Y727 PolarHBondContact O-OH 3.24Å
668	L	88.1	Confident	83.6	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.063	23%	0.227	C	C	.	.			trans	-85.2	108.1	-179.9	-57.1	-177.4	0	0	0	109.6	V664 L665 I673 Y727 L728 L731	V664-L668 HydrophobicContact CG1-CD1 4.28Å; V664-L668 HydrophobicContact CG1-CD2 4.46Å; V664-L668 HydrophobicContact CG1-CG 4.41Å; V664-L668 PolarHBondContact O-N 3.15Å; L665-L668 HydrophobicContact CD2-CD1 4.28Å; L665-L668 PolarHBondContact O-N 3.31Å; L668-I673 HydrophobicContact CB-CG2 3.98Å; L668-I673 HydrophobicContact CD1-CG2 3.97Å; L668-Y727 HydrophobicContact CD2-CE1 4.08Å; L668-L728 HydrophobicContact CD1-CD2 4.35Å; L668-L728 HydrophobicContact CD2-CD2 3.88Å; L668-L731 HydrophobicContact CD2-CD1 3.91Å
669	D	90.8	Very high	84.7	Confident	89 Å²	89	45.4 Å²	45.4	48%	0.476	22%	0.222	S	C	.	.			trans	-130.3	98.8	171.5	-165.2	6	0	0	0	110.5	K667 R675 Y727	K667-D669 PolarHBondContact O-N 2.76Å; D669-R675 IonicContact OD1-CZ 3.46Å; D669-R675 IonicContact OD1-NH1 3.59Å; D669-R675 PolarHBondContact OD1-NH1 3.45Å; D669-R675 IonicContact OD2-CZ 3.74Å; D669-R675 IonicContact OD2-NH1 3.35Å; D669-R675 PolarHBondContact OD2-NH1 3.24Å; D669-R675 IonicContact OD2-NH2 3.3Å; D669-Y727 PolarHBondContact N-OH 2.87Å
670	H	95.3	Very high	85.5	Confident	41 Å²	41	44.4 Å²	44.4	19%	0.19	22%	0.217	C	C	.	.			trans	-152.2	147.5	178.3	-175.6	-106.3	0	0	0	110.7	N672 I673 D723 Y727	H670-N672 PolarHBondContact ND1-N 3.39Å; H670-N672 PolarHBondContact O-N 2.8Å; H670-N672 VanDerWaalsContact O-N 3.08Å; H670-I673 HydrophobicContact CB-CB 4.23Å; H670-I673 HydrophobicContact CB-CG1 3.95Å; H670-I673 PolarHBondContact O-N 3.01Å; H670-I673 VanDerWaalsContact O-N 3.13Å; H670-D723 PolarHBondContact CE1-O 2.94Å; H670-D723 VanDerWaalsContact CE1-O 3.28Å; H670-Y727 HydrophobicContact CB-CD1 3.65Å; H670-Y727 HydrophobicContact CB-CD2 3.96Å; H670-Y727 HydrophobicContact CB-CE1 3.92Å; H670-Y727 HydrophobicContact CB-CE2 4.2Å; H670-Y727 HydrophobicContact CB-CG 3.68Å; H670-Y727 AromaticContact CD2-CD2 3.99Å; H670-Y727 AromaticContact CG-CG 3.73Å
671	A	96.7	Very high	86.1	Confident	68 Å²	68	38.9 Å²	38.9	56%	0.562	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.9	-176	0	0	0	0	0	113.9	K752	A671-K752 VanDerWaalsContact O-CE 3.27Å; A671-K752 WeakPolarHBondContact O-CE 3.5Å
672	N	97.3	Very high	86.2	Confident	14 Å²	14	41.1 Å²	41.1	8%	0.075	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	18.6	-178.7	-55.6	114.3	0	0	0	114.4	H670 Q720 I751 K752 I753	H670-N672 PolarHBondContact ND1-N 3.39Å; H670-N672 PolarHBondContact O-N 2.8Å; H670-N672 VanDerWaalsContact O-N 3.08Å; N672-Q720 VanDerWaalsContact CB-O 3.25Å; N672-Q720 WeakPolarHBondContact CB-O 3.22Å; N672-Q720 WeakPolarHBondContact ND2-CB 3.18Å; N672-I751 WeakPolarHBondContact CA-O 3.32Å; N672-I751 PolarHBondContact ND2-O 3.27Å; N672-K752 WeakPolarHBondContact O-CA 3.44Å; N672-I753 PolarHBondContact O-N 2.66Å
673	I	94.6	Very high	85.8	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.041	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-117.7	143.8	168.4	-58.3	-60.8	0	0	0	108.2	L668 H670 R675 Y727 L728 I753	L668-I673 HydrophobicContact CB-CG2 3.98Å; L668-I673 HydrophobicContact CD1-CG2 3.97Å; H670-I673 HydrophobicContact CB-CB 4.23Å; H670-I673 HydrophobicContact CB-CG1 3.95Å; H670-I673 PolarHBondContact O-N 3.01Å; H670-I673 VanDerWaalsContact O-N 3.13Å; I673-R675 PolarHBondContact O-N 2.72Å; I673-Y727 HydrophobicContact CG1-CD1 3.95Å; I673-L728 HydrophobicContact CD1-CD1 3.89Å; I673-L728 HydrophobicContact CD1-CD2 4.15Å; I673-L728 HydrophobicContact CD1-CG 3.87Å; I673-L728 HydrophobicContact CG1-CD2 4.43Å; I673-I753 HydrophobicContact CD1-CB 3.97Å; I673-I753 HydrophobicContact CD1-CD1 4.24Å; I673-I753 HydrophobicContact CD1-CG1 4.44Å
674	I	92.5	Very high	85	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.056	26%	0.263	C	S	.	.			trans	-66.3	126.9	178.7	-161.7	68.5	0	0	0	110.3	F690 E691 M693 L744 K752 I753 A754	I674-F690 HydrophobicContact CG1-CB 4.41Å; I674-F690 HydrophobicContact CG1-CD1 4.14Å; I674-F690 HydrophobicContact CG2-CD1 4.33Å; I674-F690 HydrophobicContact CG2-CE1 4.41Å; I674-E691 HydrophobicContact CD1-CG 3.56Å; I674-E691 HydrophobicContact CG1-CG 4.41Å; I674-M693 HydrophobicContact CD1-CG 3.62Å; I674-M693 HydrophobicContact CD1-SD 3.79Å; I674-L744 HydrophobicContact CD1-CD1 4.2Å; I674-K752 HydrophobicContact CB-CB 4.5Å; I674-K752 HydrophobicContact CD1-CB 4.29Å; I674-K752 HydrophobicContact CD1-CD 4.26Å; I674-I753 PolarHBondContact N-O 2.74Å; I674-A754 HydrophobicContact CB-CB 3.9Å; I674-A754 HydrophobicContact CG1-CB 4.36Å; I674-A754 HydrophobicContact CG2-CB 3.83Å
675	R	90.4	Very high	84.7	Confident	109 Å²	109	49.9 Å²	49.9	41%	0.411	27%	0.267	S	S	.	.			trans	-90.3	125.2	-176.8	-170.5	175.1	177	129.6	3.7	111.1	D669 I673 L677 E691	D669-R675 IonicContact OD1-CZ 3.46Å; D669-R675 IonicContact OD1-NH1 3.59Å; D669-R675 PolarHBondContact OD1-NH1 3.45Å; D669-R675 IonicContact OD2-CZ 3.74Å; D669-R675 IonicContact OD2-NH1 3.35Å; D669-R675 PolarHBondContact OD2-NH1 3.24Å; D669-R675 IonicContact OD2-NH2 3.3Å; I673-R675 PolarHBondContact O-N 2.72Å; R675-L677 HydrophobicContact CG-CD2 4.3Å; R675-L677 PolarHBondContact O-N 3.11Å; R675-E691 VanDerWaalsContact CB-OE1 3.23Å; R675-E691 WeakPolarHBondContact CB-OE1 3.15Å; R675-E691 PolarHBondContact N-OE1 2.86Å; R675-E691 PolarHBondContact O-N 3.42Å
676	L	89.7	Confident	84.5	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.084	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	112.7	162.5	-174.9	69	0	0	0	108.2	L662 L665 A666 G678 V679 L688 F690	L662-L676 HydrophobicContact CD1-CD2 3.52Å; L665-L676 HydrophobicContact CB-CD2 4.27Å; A666-L676 HydrophobicContact CB-CD2 4.46Å; L676-G678 WeakPolarHBondContact CD1-O 3.45Å; L676-V679 HydrophobicContact CD2-CG1 4.39Å; L676-L688 HydrophobicContact CD1-CB 3.89Å; L676-L688 HydrophobicContact CD1-CD2 4.3Å; L676-F690 HydrophobicContact CB-CD1 4.39Å; L676-F690 HydrophobicContact CB-CE1 4.17Å; L676-F690 HydrophobicContact CD1-CD1 4.21Å; L676-F690 HydrophobicContact CD1-CE1 3.86Å; L676-F690 HydrophobicContact CD1-CE2 4.39Å; L676-F690 HydrophobicContact CD1-CZ 3.97Å
677	L	89.9	Confident	84.7	Confident	58 Å²	58	48.7 Å²	48.7	30%	0.304	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-27.7	178.5	-60.1	-178.8	0	0	0	112.1	P605 V641 R675 V689 E691	P605-L677 WeakPolarHBondContact CG-O 3.43Å; V641-L677 HydrophobicContact CG1-CD1 3.86Å; R675-L677 HydrophobicContact CG-CD2 4.3Å; R675-L677 PolarHBondContact O-N 3.11Å; L677-V689 WeakPolarHBondContact CA-O 3.36Å; L677-V689 HydrophobicContact CB-CG1 4.46Å; L677-V689 WeakPolarHBondContact CB-O 3.41Å; L677-V689 PolarHBondContact N-O 3.33Å; L677-E691 HydrophobicContact CD1-CB 4.22Å; L677-E691 HydrophobicContact CD2-CB 4.44Å; L677-E691 HydrophobicContact CG-CB 4.41Å
678	G	89	Confident	84.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-175.2	179.9	0	0	0	0	0	113	P605 L676 V689	P605-G678 CarbonylContact O-C 3.58Å; P605-G678 WeakPolarHBondContact O-CA 3.45Å; L676-G678 WeakPolarHBondContact CD1-O 3.45Å; G678-V689 PolarHBondContact N-O 3.35Å; G678-V689 WeakPolarHBondContact O-CB 3.33Å; G678-V689 PolarHBondContact O-N 2.83Å
679	V	87.9	Confident	85	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.2	-179.1	-71.8	0	0	0	0	110.3	F599 C604 P605 L606 V607 L662 L676 L687 L688	F599-V679 HydrophobicContact CB-CG2 4.19Å; F599-V679 HydrophobicContact CD1-CB 4.39Å; F599-V679 HydrophobicContact CD1-CG2 3.67Å; F599-V679 HydrophobicContact CD2-CB 4.48Å; F599-V679 HydrophobicContact CD2-CG2 3.59Å; F599-V679 HydrophobicContact CE1-CB 3.96Å; F599-V679 HydrophobicContact CE1-CG1 4.16Å; F599-V679 HydrophobicContact CE1-CG2 3.73Å; F599-V679 HydrophobicContact CE2-CB 4.02Å; F599-V679 HydrophobicContact CE2-CG2 3.62Å; F599-V679 HydrophobicContact CG-CG2 3.57Å; F599-V679 HydrophobicContact CZ-CB 3.72Å; F599-V679 HydrophobicContact CZ-CG1 4.35Å; F599-V679 HydrophobicContact CZ-CG2 3.68Å; C604-V679 HydrophobicContact CB-CG2 4.31Å; P605-V679 PolarHBondContact O-N 2.76Å; L606-V679 CarbonylContact C-O 3.5Å; L606-V679 WeakPolarHBondContact CA-O 3.31Å; V607-V679 PolarHBondContact N-O 2.04Å; L662-V679 HydrophobicContact CD1-CG1 3.9Å; L662-V679 HydrophobicContact CD2-CG1 4.47Å; L676-V679 HydrophobicContact CD2-CG1 4.39Å; V679-L687 WeakPolarHBondContact CA-O 3.03Å; V679-L688 HydrophobicContact CG1-CD2 3.71Å
680	S	85.7	Confident	85	Confident	1 Å²	1	38 Å²	38	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.1	171.4	166.8	0	0	0	0	107.8	V607 L687	V607-S680 WeakPolarHBondContact O-CB 3.43Å; V607-S680 PolarHBondContact O-OG 2.85Å; S680-L687 PolarHBondContact N-O 2.83Å; S680-L687 WeakPolarHBondContact O-CB 3.23Å; S680-L687 PolarHBondContact O-N 2.79Å
681	A	76	Confident	84.8	Confident	20 Å²	20	38 Å²	38	17%	0.165	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.1	172.8	0	0	0	0	0	110.8	L595 F599	L595-A681 HydrophobicContact CD1-CB 4.27Å; L595-A681 HydrophobicContact CD2-CB 3.92Å; F599-A681 HydrophobicContact CE2-CB 3.65Å; F599-A681 HydrophobicContact CZ-CB 4.12Å
682	D	70.7	Confident	84.5	Confident	86 Å²	86	37.1 Å²	37.1	46%	0.46	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	106.8	170.5	-175.3	-0.2	0	0	0	107	D684 N685	D682-D684 PolarHBondContact O-N 3.25Å; D682-N685 PolarHBondContact N-O 3.11Å; D682-N685 PolarHBondContact O-N 3.1Å
683	N	66.6	Low	84.3	Confident	133 Å²	133	36.9 Å²	36.9	71%	0.711	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	-132.1	-166.7	-54.6	-76.4	0	0	0	111.3	N685	N683-N685 PolarHBondContact O-N 3.31Å
684	D	62.1	Low	84.1	Confident	126 Å²	126	40.4 Å²	40.4	67%	0.674	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	4.8	-177.5	-55.6	-46.3	0	0	0	114.7	R646 D682	R646-D684 PolarHBondContact NH2-O 3.31Å; R646-D684 VanDerWaalsContact NH2-O 3.08Å; D682-D684 PolarHBondContact O-N 3.25Å
685	N	70.4	Confident	84	Confident	65 Å²	65	42 Å²	42	35%	0.348	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	100.2	179.6	-70.3	-37	0	0	0	110.6	S648 D682 N683	S648-N685 PolarHBondContact OG-OD1 3.16Å; D682-N685 PolarHBondContact N-O 3.11Å; D682-N685 PolarHBondContact O-N 3.1Å; N683-N685 PolarHBondContact O-N 3.31Å
686	C	76.7	Confident	83.9	Confident	4 Å²	4	38.1 Å²	38.1	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.2	169.4	-170.9	0	0	0	0	111.7	F599 F658	F599-C686 VanDerWaalsContact CZ-SG 3.59Å; F658-C686 HydrophobicContact CE1-CB 3.92Å; F658-C686 HydrophobicContact CZ-CB 3.8Å; F658-C686 WeakPolarHBondContact CZ-SG 3.1Å
687	L	86.1	Confident	84	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.4	175.8	-52.1	174.2	0	0	0	108.8	R609 L612 V643 K644 T645 V679 S680	R609-L687 VanDerWaalsContact CD-CD1 3.43Å; L612-L687 HydrophobicContact CD1-CD1 4.4Å; V643-L687 HydrophobicContact CG1-CB 3.8Å; V643-L687 HydrophobicContact CG1-CD1 4.47Å; V643-L687 HydrophobicContact CG1-CD2 4.3Å; V643-L687 HydrophobicContact CG1-CG 4.42Å; K644-L687 WeakPolarHBondContact O-CA 3.26Å; T645-L687 HydrophobicContact CG2-CD2 3.48Å; T645-L687 VanDerWaalsContact CG2-CD2 3.48Å; V679-L687 WeakPolarHBondContact CA-O 3.03Å; S680-L687 PolarHBondContact N-O 2.83Å; S680-L687 WeakPolarHBondContact O-CB 3.23Å; S680-L687 PolarHBondContact O-N 2.79Å
688	L	86.4	Confident	84.3	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.4	173	-57.2	-176.8	0	0	0	109.1	V643 K644 F658 L662 L665 L676 V679 F690	V643-L688 CarbonylContact C-O 3.55Å; V643-L688 VanDerWaalsContact CA-O 3.3Å; V643-L688 WeakPolarHBondContact CA-O 3.39Å; K644-L688 HydrophobicContact CB-CB 4.3Å; K644-L688 PolarHBondContact N-O 2.89Å; K644-L688 PolarHBondContact O-N 2.93Å; F658-L688 HydrophobicContact CE2-CD1 4.09Å; F658-L688 HydrophobicContact CE2-CD2 4.14Å; F658-L688 HydrophobicContact CE2-CG 4.17Å; F658-L688 HydrophobicContact CZ-CD1 4.49Å; F658-L688 HydrophobicContact CZ-CD2 3.71Å; F658-L688 HydrophobicContact CZ-CG 4.19Å; L662-L688 HydrophobicContact CD1-CD2 3.79Å; L665-L688 HydrophobicContact CD1-CD1 4.24Å; L676-L688 HydrophobicContact CD1-CB 3.89Å; L676-L688 HydrophobicContact CD1-CD2 4.3Å; V679-L688 HydrophobicContact CG1-CD2 3.71Å; L688-F690 HydrophobicContact CB-CD2 4.24Å; L688-F690 HydrophobicContact CB-CE2 3.48Å; L688-F690 VanDerWaalsContact CB-CE2 3.48Å; L688-F690 HydrophobicContact CB-CZ 3.96Å; L688-F690 HydrophobicContact CD1-CE2 4.16Å; L688-F690 HydrophobicContact CD1-CZ 4.03Å; L688-F690 HydrophobicContact CG-CE2 4.49Å
689	V	90.4	Very high	84.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.3	-177.6	-171.9	0	0	0	0	109.3	V607 L612 M631 V641 V643 L677 G678	V607-V689 HydrophobicContact CG2-CG2 4.35Å; L612-V689 HydrophobicContact CD1-CG2 4.06Å; L612-V689 HydrophobicContact CD2-CG2 4.44Å; M631-V689 HydrophobicContact SD-CG1 4.28Å; V641-V689 HydrophobicContact CB-CG1 3.77Å; V641-V689 HydrophobicContact CG1-CG1 4.05Å; V641-V689 HydrophobicContact CG2-CG1 3.75Å; V643-V689 HydrophobicContact CG2-CG1 4.39Å; V643-V689 HydrophobicContact CG2-CG2 4.31Å; L677-V689 WeakPolarHBondContact CA-O 3.36Å; L677-V689 HydrophobicContact CB-CG1 4.46Å; L677-V689 WeakPolarHBondContact CB-O 3.41Å; L677-V689 PolarHBondContact N-O 3.33Å; G678-V689 PolarHBondContact N-O 3.35Å; G678-V689 WeakPolarHBondContact O-CB 3.33Å; G678-V689 PolarHBondContact O-N 2.83Å
690	F	91.2	Very high	84.7	Confident	23 Å²	23	38.7 Å²	38.7	10%	0.101	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	160.8	178.4	-61.7	-84.7	0	0	0	111.4	V641 A642 K644 L665 I674 L676 L688	V641-F690 WeakPolarHBondContact CA-O 3.22Å; V641-F690 WeakPolarHBondContact CB-O 3.42Å; A642-F690 HydrophobicContact CB-CB 4.44Å; A642-F690 PolarHBondContact N-O 2.93Å; A642-F690 PolarHBondContact O-N 2.83Å; K644-F690 HydrophobicContact CB-CD2 4.48Å; K644-F690 HydrophobicContact CB-CE2 4Å; K644-F690 HydrophobicContact CD-CE2 4.39Å; L665-F690 HydrophobicContact CD1-CZ 4.25Å; I674-F690 HydrophobicContact CG1-CB 4.41Å; I674-F690 HydrophobicContact CG1-CD1 4.14Å; I674-F690 HydrophobicContact CG2-CD1 4.33Å; I674-F690 HydrophobicContact CG2-CE1 4.41Å; L676-F690 HydrophobicContact CB-CD1 4.39Å; L676-F690 HydrophobicContact CB-CE1 4.17Å; L676-F690 HydrophobicContact CD1-CD1 4.21Å; L676-F690 HydrophobicContact CD1-CE1 3.86Å; L676-F690 HydrophobicContact CD1-CE2 4.39Å; L676-F690 HydrophobicContact CD1-CZ 3.97Å; L688-F690 HydrophobicContact CB-CD2 4.24Å; L688-F690 HydrophobicContact CB-CE2 3.48Å; L688-F690 VanDerWaalsContact CB-CE2 3.48Å; L688-F690 HydrophobicContact CB-CZ 3.96Å; L688-F690 HydrophobicContact CD1-CE2 4.16Å; L688-F690 HydrophobicContact CD1-CZ 4.03Å; L688-F690 HydrophobicContact CG-CE2 4.49Å
691	E	90.6	Very high	85.1	Confident	41 Å²	41	39.8 Å²	39.8	19%	0.192	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	150.5	169.7	66.2	-166.8	130	0	0	112.5	I674 R675 L677 M693 K752	I674-E691 HydrophobicContact CD1-CG 3.56Å; I674-E691 HydrophobicContact CG1-CG 4.41Å; R675-E691 VanDerWaalsContact CB-OE1 3.23Å; R675-E691 WeakPolarHBondContact CB-OE1 3.15Å; R675-E691 PolarHBondContact N-OE1 2.86Å; R675-E691 PolarHBondContact O-N 3.42Å; L677-E691 HydrophobicContact CD1-CB 4.22Å; L677-E691 HydrophobicContact CD2-CB 4.44Å; L677-E691 HydrophobicContact CG-CB 4.41Å; E691-M693 HydrophobicContact CG-SD 4.1Å; E691-K752 HydrophobicContact CG-CD 4.48Å; E691-K752 WeakPolarHBondContact OE1-CD 3.48Å; E691-K752 WeakPolarHBondContact OE1-CE 3.43Å; E691-K752 IonicContact OE1-NZ 3.88Å; E691-K752 PolarHBondContact OE1-NZ 2.79Å; E691-K752 VanDerWaalsContact OE2-CE 3.25Å; E691-K752 WeakPolarHBondContact OE2-CE 3.22Å; E691-K752 IonicContact OE2-NZ 2.91Å; E691-K752 PolarHBondContact OE2-NZ 3.45Å
692	R	90.7	Very high	86.1	Confident	49 Å²	49	38.9 Å²	38.9	19%	0.185	20%	0.202	C	C	.	.			trans	-80.7	122.3	178	172.5	53.4	162.1	161.8	-20.7	109.7	E616 L628 Q640 E694	E616-R692 IonicContact OE1-NH2 3.18Å; L628-R692 HydrophobicContact CD1-CG 4.27Å; L628-R692 VanDerWaalsContact CD1-NE 3.31Å; Q640-R692 HydrophobicContact CB-CB 4.23Å; Q640-R692 HydrophobicContact CB-CG 4.18Å; Q640-R692 WeakPolarHBondContact O-CB 3.34Å; R692-E694 HydrophobicContact CG-CG 4.12Å
693	M	92.1	Very high	87.1	Confident	9 Å²	9	41.1 Å²	41.1	4%	0.044	20%	0.204	C	C	.	.			trans	-100.3	107.7	167.5	-52.8	-59.2	-73.4	0	0	108.1	I674 E691 L744 L745 D746 K752	I674-M693 HydrophobicContact CD1-CG 3.62Å; I674-M693 HydrophobicContact CD1-SD 3.79Å; E691-M693 HydrophobicContact CG-SD 4.1Å; M693-L744 HydrophobicContact CB-CB 3.79Å; M693-L744 HydrophobicContact CB-CD1 4.22Å; M693-L744 HydrophobicContact CE-CB 3.86Å; M693-L744 WeakPolarHBondContact CE-O 3.17Å; M693-L744 HydrophobicContact CG-CB 3.62Å; M693-L744 HydrophobicContact CG-CD1 3.78Å; M693-L744 HydrophobicContact CG-CG 4.35Å; M693-L745 CarbonylContact C-O 3.57Å; M693-D746 HydrophobicContact CE-CB 4.09Å; M693-D746 HydrophobicContact SD-CB 4.38Å; M693-K752 HydrophobicContact CE-CB 3.76Å; M693-K752 HydrophobicContact CE-CD 3.94Å; M693-K752 HydrophobicContact CE-CG 3.68Å; M693-K752 HydrophobicContact SD-CD 3.94Å; M693-K752 HydrophobicContact SD-CG 4.35Å
694	E	90.4	Very high	88.3	Confident	81 Å²	81	40.7 Å²	40.7	38%	0.379	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.8	-168.7	-60.3	89.3	156.7	0	0	113.7	R692 L745 D746 H747	R692-E694 HydrophobicContact CG-CG 4.12Å; E694-L745 PolarHBondContact N-O 3.08Å; E694-D746 VanDerWaalsContact OE2-CA 3.31Å; E694-D746 WeakPolarHBondContact OE2-CA 3.3Å; E694-H747 HydrophobicContact CB-CB 4.41Å; E694-H747 HydrophobicContact CG-CB 4.26Å; E694-H747 IonicContact OE1-CE1 2.74Å; E694-H747 IonicContact OE1-CG 3.72Å; E694-H747 IonicContact OE1-ND1 2.7Å; E694-H747 PolarHBondContact OE1-ND1 2.98Å; E694-H747 PolarHBondContact OE2-N 2.95Å; E694-H747 IonicContact OE2-ND1 3.61Å
695	N	90.6	Very high	89.8	Confident	45 Å²	45	40.3 Å²	40.3	24%	0.241	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2.9	-175.2	-79.5	-67.3	0	0	0	113.6	Y701 L745 D746 L749	N695-Y701 HydrophobicContact CB-CD2 3.88Å; N695-Y701 HydrophobicContact CB-CE2 3.91Å; N695-L745 HydrophobicContact CB-CB 3.57Å; N695-L745 PolarHBondContact N-O 2.84Å; N695-D746 PolarHBondContact ND2-O 3.09Å; N695-L749 HydrophobicContact CB-CD2 4.28Å; N695-L749 WeakPolarHBondContact ND2-CD2 3.47Å
696	G	89.7	Confident	90.8	Very high	27 Å²	27	37.3 Å²	37.3	28%	0.278	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-152.8	177.9	0	0	0	0	0	112.9	L744 L745	G696-L744 CarbonylContact O-C 3.56Å; G696-L744 WeakPolarHBondContact O-CA 3.49Å; G696-L745 PolarHBondContact O-N 2.91Å
697	D	91.4	Very high	91.4	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	152.2	176.5	68.1	73.5	0	0	0	113.2	N699 Q700 Y701 R741 C743 L744 R760 Y763	D697-N699 PolarHBondContact O-N 3.44Å; D697-N699 PolarHBondContact OD1-N 2.83Å; D697-Q700 PolarHBondContact O-N 3.02Å; D697-Q700 VanDerWaalsContact OD1-CB 3.26Å; D697-Q700 WeakPolarHBondContact OD1-CB 3.49Å; D697-Q700 PolarHBondContact OD1-N 2.9Å; D697-Y701 WeakPolarHBondContact O-CB 3.26Å; D697-Y701 PolarHBondContact O-N 2.77Å; D697-R741 WeakPolarHBondContact CB-O 3.46Å; D697-C743 CarbonylContact C-O 3.56Å; D697-C743 VanDerWaalsContact CA-O 3.31Å; D697-C743 WeakPolarHBondContact CA-O 3.45Å; D697-L744 HydrophobicContact CB-CD2 3.91Å; D697-R760 IonicContact OD2-CZ 2.74Å; D697-R760 IonicContact OD2-NH1 3.76Å; D697-R760 PolarHBondContact OD2-NH1 3.39Å; D697-Y763 VanDerWaalsContact CG-OH 3.25Å; D697-Y763 PolarHBondContact OD1-OH 2.63Å; D697-Y763 PolarHBondContact OD2-OH 3.18Å
698	L	95.2	Very high	91.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-34	-174.8	176	63.9	0	0	0	111.7	Y701 L702 F717 I721 T740 C743 L745 I751 V807	L698-Y701 PolarHBondContact O-N 2.84Å; L698-L702 HydrophobicContact CD1-CD1 3.9Å; L698-L702 HydrophobicContact CD1-CD2 4.25Å; L698-L702 HydrophobicContact CD1-CG 3.74Å; L698-L702 HydrophobicContact CD2-CD1 4.46Å; L698-L702 HydrophobicContact CG-CD1 3.78Å; L698-L702 HydrophobicContact CG-CG 4.13Å; L698-L702 WeakPolarHBondContact O-CB 3.49Å; L698-L702 WeakPolarHBondContact O-CG 3.38Å; L698-L702 PolarHBondContact O-N 2.81Å; L698-F717 HydrophobicContact CD1-CD2 3.63Å; L698-F717 HydrophobicContact CD1-CE2 3.72Å; L698-F717 HydrophobicContact CD1-CG 4.37Å; L698-I721 HydrophobicContact CD2-CD1 3.96Å; L698-T740 WeakPolarHBondContact CB-O 3.42Å; L698-T740 HydrophobicContact CD2-CG2 4.04Å; L698-T740 HydrophobicContact CG-CG2 4.37Å; L698-T740 PolarHBondContact N-O 2.98Å; L698-C743 HydrophobicContact CB-CB 3.88Å; L698-C743 WeakPolarHBondContact CB-O 3.4Å; L698-C743 HydrophobicContact CD2-CB 4.02Å; L698-C743 PolarHBondContact N-O 2.97Å; L698-L745 HydrophobicContact CB-CD1 4.36Å; L698-L745 HydrophobicContact CD1-CD1 3.93Å; L698-I751 HydrophobicContact CB-CD1 4.43Å; L698-I751 HydrophobicContact CD1-CD1 4.01Å; L698-I751 HydrophobicContact CD2-CD1 3.91Å; L698-I751 HydrophobicContact CG-CD1 4.34Å; L698-V807 HydrophobicContact CD2-CG2 4.05Å
699	N	94	Very high	92.1	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-52.5	176.4	-166	-80.7	0	0	0	110.8	D697 Y701 L702 R703 T740 R741 Y763 E806	D697-N699 PolarHBondContact O-N 3.44Å; D697-N699 PolarHBondContact OD1-N 2.83Å; N699-Y701 VanDerWaalsContact C-N 3.34Å; N699-Y701 PolarHBondContact O-N 3.26Å; N699-L702 PolarHBondContact O-N 3.48Å; N699-R703 WeakPolarHBondContact O-CG 3.45Å; N699-R703 PolarHBondContact O-N 2.93Å; N699-R703 PolarHBondContact OD1-NE 3.14Å; N699-T740 VanDerWaalsContact CB-OG1 3.27Å; N699-T740 WeakPolarHBondContact CB-OG1 3.37Å; N699-T740 PolarHBondContact N-O 2.88Å; N699-T740 PolarHBondContact ND2-OG1 2.93Å; N699-R741 HydrophobicContact CB-CB 4.41Å; N699-Y763 HydrophobicContact CB-CE1 4.29Å; N699-E806 PolarHBondContact ND2-OE1 2.91Å
700	Q	91.1	Very high	92.2	Very high	76 Å²	76	55.6 Å²	55.6	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-37.2	178.8	-167.2	171.4	19	0	0	111.4	D697 L704	D697-Q700 PolarHBondContact O-N 3.02Å; D697-Q700 VanDerWaalsContact OD1-CB 3.26Å; D697-Q700 WeakPolarHBondContact OD1-CB 3.49Å; D697-Q700 PolarHBondContact OD1-N 2.9Å; Q700-L704 HydrophobicContact CG-CD1 3.94Å; Q700-L704 WeakPolarHBondContact O-CB 3.21Å; Q700-L704 VanDerWaalsContact O-CG 3.29Å; Q700-L704 WeakPolarHBondContact O-CG 3.23Å; Q700-L704 PolarHBondContact O-N 2.81Å; Q700-L704 VanDerWaalsContact O-N 3.15Å
701	Y	94.7	Very high	92.1	Very high	23 Å²	23	57.7 Å²	57.7	9%	0.09	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-46.7	175.8	-167.9	-82.9	0	0	0	112.6	N695 D697 L698 N699 L704 R705 L709 L745 L749	N695-Y701 HydrophobicContact CB-CD2 3.88Å; N695-Y701 HydrophobicContact CB-CE2 3.91Å; D697-Y701 WeakPolarHBondContact O-CB 3.26Å; D697-Y701 PolarHBondContact O-N 2.77Å; L698-Y701 PolarHBondContact O-N 2.84Å; N699-Y701 VanDerWaalsContact C-N 3.34Å; N699-Y701 PolarHBondContact O-N 3.26Å; Y701-L704 PolarHBondContact O-N 2.88Å; Y701-R705 HydrophobicContact CD1-CB 4.27Å; Y701-R705 HydrophobicContact CE1-CB 3.9Å; Y701-R705 WeakPolarHBondContact O-CB 3.38Å; Y701-R705 PolarHBondContact O-N 2.85Å; Y701-L709 HydrophobicContact CE1-CD1 4.33Å; Y701-L709 HydrophobicContact CE1-CD2 4.28Å; Y701-L745 VanDerWaalsContact CB-CD1 3.43Å; Y701-L745 HydrophobicContact CD1-CD1 3.84Å; Y701-L745 HydrophobicContact CD2-CD1 3.75Å; Y701-L745 HydrophobicContact CE2-CD1 4.46Å; Y701-L745 HydrophobicContact CG-CD1 3.38Å; Y701-L749 HydrophobicContact CE1-CD2 4.37Å; Y701-L749 HydrophobicContact CE2-CD2 3.7Å; Y701-L749 WeakPolarHBondContact OH-CD1 3.39Å; Y701-L749 VanDerWaalsContact OH-CD2 3.3Å; Y701-L749 WeakPolarHBondContact OH-CD2 3.34Å
702	L	96.3	Very high	92.2	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-46.2	177.6	-73.2	168.5	0	0	0	111.4	L698 N699 L704 G706 L709 L714 F717 T740 V807 L810 A811	L698-L702 HydrophobicContact CD1-CD1 3.9Å; L698-L702 HydrophobicContact CD1-CD2 4.25Å; L698-L702 HydrophobicContact CD1-CG 3.74Å; L698-L702 HydrophobicContact CD2-CD1 4.46Å; L698-L702 HydrophobicContact CG-CD1 3.78Å; L698-L702 HydrophobicContact CG-CG 4.13Å; L698-L702 WeakPolarHBondContact O-CB 3.49Å; L698-L702 WeakPolarHBondContact O-CG 3.38Å; L698-L702 PolarHBondContact O-N 2.81Å; N699-L702 PolarHBondContact O-N 3.48Å; L702-L704 VanDerWaalsContact C-N 3.27Å; L702-L704 PolarHBondContact O-N 2.81Å; L702-G706 WeakPolarHBondContact O-CA 3.4Å; L702-G706 PolarHBondContact O-N 3.22Å; L702-L709 HydrophobicContact CD2-CD1 3.9Å; L702-L714 HydrophobicContact CD2-CD2 3.86Å; L702-F717 HydrophobicContact CD2-CE2 4.45Å; L702-T740 HydrophobicContact CD1-CG2 4.33Å; L702-V807 HydrophobicContact CD1-CG2 4.25Å; L702-L810 CarbonylContact C-O 3.25Å; L702-L810 HydrophobicContact CD2-CD2 4.25Å; L702-A811 HydrophobicContact CB-CB 4.02Å; L702-A811 HydrophobicContact CD1-CB 4.27Å
703	R	92.9	Very high	92.4	Very high	133 Å²	133	58.2 Å²	58.2	50%	0.502	30%	0.299	S	S	.	.	H	α-helix	trans	-57.8	-37.6	176.3	-72.7	177.9	-174.3	-81.7	1.2	113.1	N699 L810 A811 S812	N699-R703 WeakPolarHBondContact O-CG 3.45Å; N699-R703 PolarHBondContact O-N 2.93Å; N699-R703 PolarHBondContact OD1-NE 3.14Å; R703-L810 PolarHBondContact N-O 2.97Å; R703-A811 HydrophobicContact CG-CB 4.02Å; R703-A811 VanDerWaalsContact CG-O 3.29Å; R703-A811 WeakPolarHBondContact CG-O 3.41Å; R703-A811 PolarHBondContact NE-O 3.26Å; R703-A811 PolarHBondContact NH1-O 2.85Å; R703-A811 PolarHBondContact NH2-O 3.47Å; R703-S812 PolarHBondContact NH1-O 2.9Å
704	L	91.7	Very high	92.7	Very high	123 Å²	123	58 Å²	58	64%	0.644	30%	0.298	S	S	*	.	H	α-helix	trans	-90.8	-28.8	-175.1	-68.6	174.3	0	0	0	114.3	Q700 Y701 L702	Q700-L704 HydrophobicContact CG-CD1 3.94Å; Q700-L704 WeakPolarHBondContact O-CB 3.21Å; Q700-L704 VanDerWaalsContact O-CG 3.29Å; Q700-L704 WeakPolarHBondContact O-CG 3.23Å; Q700-L704 PolarHBondContact O-N 2.81Å; Q700-L704 VanDerWaalsContact O-N 3.15Å; Y701-L704 PolarHBondContact O-N 2.88Å; L702-L704 VanDerWaalsContact C-N 3.27Å; L702-L704 PolarHBondContact O-N 2.81Å
705	R	93.7	Very high	92.9	Very high	118 Å²	118	54.3 Å²	54.3	45%	0.445	28%	0.281	S	S	.	.	H	α-helix	trans	-135.9	-3	-168.4	-60.4	-174.2	-179.6	-162.4	5.8	114.6	Y701 S707 R708	Y701-R705 HydrophobicContact CD1-CB 4.27Å; Y701-R705 HydrophobicContact CE1-CB 3.9Å; Y701-R705 WeakPolarHBondContact O-CB 3.38Å; Y701-R705 PolarHBondContact O-N 2.85Å; R705-S707 PolarHBondContact O-N 2.96Å; R705-R708 WeakPolarHBondContact O-CB 3.22Å; R705-R708 PolarHBondContact O-N 2.83Å
706	G	90	Very high	93.2	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.031	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.6	-176.9	0	0	0	0	0	114.1	L702 R708 L709	L702-G706 WeakPolarHBondContact O-CA 3.4Å; L702-G706 PolarHBondContact O-N 3.22Å; G706-R708 PolarHBondContact O-N 3.01Å; G706-R708 VanDerWaalsContact O-N 3.09Å; G706-L709 WeakPolarHBondContact O-CB 3.29Å; G706-L709 PolarHBondContact O-N 3.01Å
707	S	89.5	Confident	93.5	Very high	111 Å²	111	54.4 Å²	54.4	78%	0.776	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-66.2	-6.8	174.6	57.8	0	0	0	0	115.1	R705	R705-S707 PolarHBondContact O-N 2.96Å
708	R	93	Very high	93.8	Very high	210 Å²	210	54.1 Å²	54.1	79%	0.792	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-104.8	-3.5	174.1	-54.9	-176.8	-177.4	-173	0.1	113.2	R705 G706	R705-R708 WeakPolarHBondContact O-CB 3.22Å; R705-R708 PolarHBondContact O-N 2.83Å; G706-R708 PolarHBondContact O-N 3.01Å; G706-R708 VanDerWaalsContact O-N 3.09Å
709	L	94	Very high	93.9	Very high	31 Å²	31	54.2 Å²	54.2	16%	0.162	27%	0.268	C	S	.	.			trans	-88.7	142.2	-178.6	-64	179.4	0	0	0	110.6	Y701 L702 G706 D713 L714 F717	Y701-L709 HydrophobicContact CE1-CD1 4.33Å; Y701-L709 HydrophobicContact CE1-CD2 4.28Å; L702-L709 HydrophobicContact CD2-CD1 3.9Å; G706-L709 WeakPolarHBondContact O-CB 3.29Å; G706-L709 PolarHBondContact O-N 3.01Å; L709-D713 HydrophobicContact CB-CB 4.09Å; L709-D713 HydrophobicContact CD2-CB 4.05Å; L709-L714 HydrophobicContact CB-CD2 4.27Å; L709-L714 HydrophobicContact CD1-CD2 3.92Å; L709-F717 HydrophobicContact CD1-CD2 4.5Å; L709-F717 HydrophobicContact CD1-CE2 3.55Å; L709-F717 HydrophobicContact CD1-CZ 4.13Å; L709-F717 HydrophobicContact CD2-CZ 4.47Å
710	S	92.9	Very high	94.1	Very high	52 Å²	52	55.1 Å²	55.1	36%	0.364	27%	0.273	S	S	.	.			trans	-79.1	161.4	170.9	68.8	0	0	0	0	111.1	S712 D713 L714	S710-S712 PolarHBondContact O-N 3.48Å; S710-S712 PolarHBondContact OG-N 3.32Å; S710-D713 WeakPolarHBondContact CB-OD2 3.25Å; S710-D713 PolarHBondContact N-OD2 3.05Å; S710-D713 VanDerWaalsContact N-OD2 3.09Å; S710-D713 WeakPolarHBondContact O-CB 3.25Å; S710-D713 PolarHBondContact O-N 2.93Å; S710-D713 PolarHBondContact OG-N 2.92Å; S710-D713 VanDerWaalsContact OG-N 3.08Å; S710-D713 PolarHBondContact OG-OD2 2.87Å; S710-L714 PolarHBondContact O-N 3.47Å; S710-L714 VanDerWaalsContact O-N 3.16Å
711	S	90.5	Very high	94.5	Very high	66 Å²	66	51.5 Å²	51.5	46%	0.462	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-30.9	168.7	-53.8	0	0	0	0	112.2	L714 L715	S711-L714 PolarHBondContact O-N 3.43Å; S711-L715 WeakPolarHBondContact O-CB 2.96Å; S711-L715 PolarHBondContact O-N 3.22Å
712	S	92.5	Very high	94.7	Very high	62 Å²	62	50.4 Å²	50.4	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-68.1	-34.4	174.8	-52.3	0	0	0	0	112.8	S710 R716	S710-S712 PolarHBondContact O-N 3.48Å; S710-S712 PolarHBondContact OG-N 3.32Å; S712-R716 VanDerWaalsContact O-CB 3.22Å; S712-R716 WeakPolarHBondContact O-CB 3.43Å; S712-R716 PolarHBondContact O-N 2.92Å
713	D	95.2	Very high	94.7	Very high	39 Å²	39	51 Å²	51	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-44.6	173.7	-69.6	-66.2	0	0	0	111.7	L709 S710 L715 R716 F717	L709-D713 HydrophobicContact CB-CB 4.09Å; L709-D713 HydrophobicContact CD2-CB 4.05Å; S710-D713 WeakPolarHBondContact CB-OD2 3.25Å; S710-D713 PolarHBondContact N-OD2 3.05Å; S710-D713 VanDerWaalsContact N-OD2 3.09Å; S710-D713 WeakPolarHBondContact O-CB 3.25Å; S710-D713 PolarHBondContact O-N 2.93Å; S710-D713 PolarHBondContact OG-N 2.92Å; S710-D713 VanDerWaalsContact OG-N 3.08Å; S710-D713 PolarHBondContact OG-OD2 2.87Å; D713-L715 VanDerWaalsContact C-N 3.32Å; D713-L715 PolarHBondContact O-N 3.23Å; D713-R716 WeakPolarHBondContact O-CB 3.26Å; D713-R716 PolarHBondContact O-N 3.48Å; D713-R716 IonicContact OD1-CZ 2.7Å; D713-R716 IonicContact OD1-NE 3.28Å; D713-R716 IonicContact OD1-NH2 3.25Å; D713-R716 PolarHBondContact OD1-NH2 3.49Å; D713-F717 WeakPolarHBondContact O-CD1 3.23Å; D713-F717 WeakPolarHBondContact O-CG 3.32Å; D713-F717 PolarHBondContact O-N 2.82Å
714	L	96.4	Very high	95	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-42.8	176.8	-59.7	-179.7	0	0	0	111.1	L702 L709 S710 S711 R716 F717 A718 V807 Y808 L810 I846	L702-L714 HydrophobicContact CD2-CD2 3.86Å; L709-L714 HydrophobicContact CB-CD2 4.27Å; L709-L714 HydrophobicContact CD1-CD2 3.92Å; S710-L714 PolarHBondContact O-N 3.47Å; S710-L714 VanDerWaalsContact O-N 3.16Å; S711-L714 PolarHBondContact O-N 3.43Å; L714-R716 VanDerWaalsContact C-N 3.35Å; L714-F717 PolarHBondContact O-N 3.21Å; L714-A718 PolarHBondContact O-N 2.86Å; L714-V807 HydrophobicContact CB-CG1 3.98Å; L714-V807 HydrophobicContact CD2-CG1 3.96Å; L714-V807 HydrophobicContact CG-CG1 4.5Å; L714-Y808 HydrophobicContact CB-CE1 4.21Å; L714-Y808 HydrophobicContact CD1-CD1 4.19Å; L714-Y808 HydrophobicContact CD1-CE1 4.16Å; L714-L810 HydrophobicContact CD1-CD2 4Å; L714-L810 HydrophobicContact CD2-CD2 3.89Å; L714-I846 HydrophobicContact CD1-CD1 3.76Å
715	L	95.4	Very high	95.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-35.5	175.5	-175.3	60.5	0	0	0	112.3	S711 D713 A718 G719 L851 L876 F879 I883	S711-L715 WeakPolarHBondContact O-CB 2.96Å; S711-L715 PolarHBondContact O-N 3.22Å; D713-L715 VanDerWaalsContact C-N 3.32Å; D713-L715 PolarHBondContact O-N 3.23Å; L715-A718 PolarHBondContact O-N 3.41Å; L715-G719 PolarHBondContact O-N 3.19Å; L715-L851 HydrophobicContact CD1-CD1 4.22Å; L715-L851 HydrophobicContact CD1-CD2 4.25Å; L715-L876 HydrophobicContact CD1-CB 4.43Å; L715-L876 HydrophobicContact CD1-CD2 3.7Å; L715-F879 HydrophobicContact CD1-CB 4.36Å; L715-F879 HydrophobicContact CD2-CB 3.89Å; L715-I883 HydrophobicContact CD2-CD1 3.76Å
716	R	96.2	Very high	95.5	Very high	75 Å²	75	37.9 Å²	37.9	28%	0.283	20%	0.197	S	C	.	.	H	α-helix	trans	-64.4	-43.1	173.7	-179.3	174	61	78.8	0.3	111.4	S712 D713 L714 G719 Q720 L749	S712-R716 VanDerWaalsContact O-CB 3.22Å; S712-R716 WeakPolarHBondContact O-CB 3.43Å; S712-R716 PolarHBondContact O-N 2.92Å; D713-R716 WeakPolarHBondContact O-CB 3.26Å; D713-R716 PolarHBondContact O-N 3.48Å; D713-R716 IonicContact OD1-CZ 2.7Å; D713-R716 IonicContact OD1-NE 3.28Å; D713-R716 IonicContact OD1-NH2 3.25Å; D713-R716 PolarHBondContact OD1-NH2 3.49Å; L714-R716 VanDerWaalsContact C-N 3.35Å; R716-G719 PolarHBondContact O-N 2.88Å; R716-Q720 WeakPolarHBondContact O-CB 3.47Å; R716-Q720 WeakPolarHBondContact O-CG 3.09Å; R716-Q720 PolarHBondContact O-N 2.86Å; R716-L749 PolarHBondContact NH1-O 2.85Å
717	F	97.7	Very high	95.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-50.7	173.7	-63.5	-15.4	0	0	0	111.2	L698 L702 L709 D713 L714 G719 Q720 I721 L745 L749 I751	L698-F717 HydrophobicContact CD1-CD2 3.63Å; L698-F717 HydrophobicContact CD1-CE2 3.72Å; L698-F717 HydrophobicContact CD1-CG 4.37Å; L702-F717 HydrophobicContact CD2-CE2 4.45Å; L709-F717 HydrophobicContact CD1-CD2 4.5Å; L709-F717 HydrophobicContact CD1-CE2 3.55Å; L709-F717 HydrophobicContact CD1-CZ 4.13Å; L709-F717 HydrophobicContact CD2-CZ 4.47Å; D713-F717 WeakPolarHBondContact O-CD1 3.23Å; D713-F717 WeakPolarHBondContact O-CG 3.32Å; D713-F717 PolarHBondContact O-N 2.82Å; L714-F717 PolarHBondContact O-N 3.21Å; F717-G719 VanDerWaalsContact C-N 3.3Å; F717-G719 PolarHBondContact O-N 3.46Å; F717-Q720 PolarHBondContact O-N 2.81Å; F717-Q720 VanDerWaalsContact O-N 3.12Å; F717-I721 WeakPolarHBondContact O-CG1 3.24Å; F717-I721 PolarHBondContact O-N 2.87Å; F717-L745 HydrophobicContact CE1-CD2 3.86Å; F717-L745 HydrophobicContact CZ-CD2 3.96Å; F717-L749 HydrophobicContact CE1-CB 4.11Å; F717-L749 WeakPolarHBondContact CE1-O 3.47Å; F717-L749 HydrophobicContact CZ-CB 4.4Å; F717-I751 HydrophobicContact CB-CD1 4.35Å; F717-I751 HydrophobicContact CB-CG1 4.06Å; F717-I751 HydrophobicContact CD1-CD1 4.02Å; F717-I751 HydrophobicContact CD1-CG1 3.97Å; F717-I751 HydrophobicContact CG-CD1 4.13Å; F717-I751 HydrophobicContact CG-CG1 4.2Å
718	A	97.4	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-53.8	-45.9	175.7	0	0	0	0	0	112.4	L714 L715 Q720 I721 A722 L804 L876	L714-A718 PolarHBondContact O-N 2.86Å; L715-A718 PolarHBondContact O-N 3.41Å; A718-Q720 VanDerWaalsContact C-N 3.35Å; A718-Q720 PolarHBondContact O-N 3.36Å; A718-I721 PolarHBondContact O-N 2.79Å; A718-A722 WeakPolarHBondContact O-CB 3.48Å; A718-A722 PolarHBondContact O-N 3.1Å; A718-L804 HydrophobicContact CB-CD1 3.33Å; A718-L876 HydrophobicContact CB-CD1 4.36Å; A718-L876 HydrophobicContact CB-CD2 4.37Å
719	G	97.5	Very high	96.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-33.4	178.4	0	0	0	0	0	114.1	L715 R716 F717 D723 R873	L715-G719 PolarHBondContact O-N 3.19Å; R716-G719 PolarHBondContact O-N 2.88Å; F717-G719 VanDerWaalsContact C-N 3.3Å; F717-G719 PolarHBondContact O-N 3.46Å; G719-D723 PolarHBondContact O-N 3.01Å; G719-D723 VanDerWaalsContact O-N 3.09Å; G719-R873 PolarHBondContact O-NE 3.03Å
720	Q	98.3	Very high	96	Very high	24 Å²	24	28.4 Å²	28.4	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-75.3	-40.8	176.4	-76.5	-179.5	-14.5	0	0	112.2	N672 R716 F717 A718 A722 D723 G724 N750 I751	N672-Q720 VanDerWaalsContact CB-O 3.25Å; N672-Q720 WeakPolarHBondContact CB-O 3.22Å; N672-Q720 WeakPolarHBondContact ND2-CB 3.18Å; R716-Q720 WeakPolarHBondContact O-CB 3.47Å; R716-Q720 WeakPolarHBondContact O-CG 3.09Å; R716-Q720 PolarHBondContact O-N 2.86Å; F717-Q720 PolarHBondContact O-N 2.81Å; F717-Q720 VanDerWaalsContact O-N 3.12Å; A718-Q720 VanDerWaalsContact C-N 3.35Å; A718-Q720 PolarHBondContact O-N 3.36Å; Q720-A722 VanDerWaalsContact C-N 3.34Å; Q720-D723 PolarHBondContact O-N 3.02Å; Q720-G724 PolarHBondContact O-N 2.91Å; Q720-N750 PolarHBondContact NE2-OD1 3.02Å; Q720-I751 HydrophobicContact CB-CB 3.98Å; Q720-I751 HydrophobicContact CB-CG1 4.28Å
721	I	98.4	Very high	95.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-46.1	171.6	-61.3	168.2	0	0	0	109.8	L698 F717 A718 D723 G724 M725 L738 I751 I753 F800 T803	L698-I721 HydrophobicContact CD2-CD1 3.96Å; F717-I721 WeakPolarHBondContact O-CG1 3.24Å; F717-I721 PolarHBondContact O-N 2.87Å; A718-I721 PolarHBondContact O-N 2.79Å; I721-D723 PolarHBondContact O-N 3.24Å; I721-G724 PolarHBondContact O-N 2.84Å; I721-M725 HydrophobicContact CG2-CG 4.46Å; I721-M725 PolarHBondContact O-N 2.67Å; I721-L738 HydrophobicContact CG2-CD1 4.22Å; I721-I751 HydrophobicContact CG1-CB 4.47Å; I721-I751 HydrophobicContact CG1-CG1 4.48Å; I721-I751 HydrophobicContact CG1-CG2 3.75Å; I721-I753 HydrophobicContact CG2-CD1 4.05Å; I721-F800 HydrophobicContact CB-CE2 4.16Å; I721-F800 HydrophobicContact CG2-CD2 3.81Å; I721-F800 HydrophobicContact CG2-CE2 3.91Å; I721-T803 HydrophobicContact CD1-CG2 3.98Å
722	A	98.4	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-40.6	178.3	0	0	0	0	0	113.1	A718 Q720 R726 F800 I872 L876	A718-A722 WeakPolarHBondContact O-CB 3.48Å; A718-A722 PolarHBondContact O-N 3.1Å; Q720-A722 VanDerWaalsContact C-N 3.34Å; A722-R726 VanDerWaalsContact O-CB 3.25Å; A722-R726 WeakPolarHBondContact O-CB 3.41Å; A722-R726 PolarHBondContact O-N 2.88Å; A722-F800 HydrophobicContact CB-CE2 3.93Å; A722-F800 HydrophobicContact CB-CZ 4.04Å; A722-I872 HydrophobicContact CB-CG2 3.86Å; A722-L876 HydrophobicContact CB-CD1 3.76Å
723	D	98.2	Very high	95.2	Very high	15 Å²	15	34 Å²	34	8%	0.08	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-36.8	175.2	-109.5	-32.9	0	0	0	112.1	H670 G719 Q720 I721 R726 Y727 R873	H670-D723 PolarHBondContact CE1-O 2.94Å; H670-D723 VanDerWaalsContact CE1-O 3.28Å; G719-D723 PolarHBondContact O-N 3.01Å; G719-D723 VanDerWaalsContact O-N 3.09Å; Q720-D723 PolarHBondContact O-N 3.02Å; I721-D723 PolarHBondContact O-N 3.24Å; D723-R726 IonicContact OD1-CZ 2.71Å; D723-R726 VanDerWaalsContact OD1-CZ 3.28Å; D723-R726 IonicContact OD1-NE 3.1Å; D723-R726 PolarHBondContact OD1-NE 3.18Å; D723-R726 IonicContact OD1-NH2 2.8Å; D723-R726 PolarHBondContact OD1-NH2 2.95Å; D723-Y727 PolarHBondContact O-N 3.46Å; D723-R873 VanDerWaalsContact CG-NE 3.31Å; D723-R873 IonicContact OD1-NE 3.66Å; D723-R873 IonicContact OD2-CZ 2.76Å; D723-R873 VanDerWaalsContact OD2-CZ 3.25Å; D723-R873 IonicContact OD2-NE 3.58Å; D723-R873 PolarHBondContact OD2-NE 2.94Å; D723-R873 IonicContact OD2-NH2 2.78Å; D723-R873 PolarHBondContact OD2-NH2 3.05Å
724	G	97.3	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-49.7	172.8	0	0	0	0	0	112.6	Q720 I721 R726 Y727 L728	Q720-G724 PolarHBondContact O-N 2.91Å; I721-G724 PolarHBondContact O-N 2.84Å; G724-R726 PolarHBondContact O-N 2.9Å; G724-Y727 WeakPolarHBondContact O-CB 3.23Å; G724-Y727 PolarHBondContact O-N 2.79Å; G724-L728 PolarHBondContact O-N 2.83Å
725	M	98	Very high	94.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-32.9	178.1	-68	-55.3	-57.9	0	0	113.3	I721 Y727 L728 E729 H735 L738 I753 D796 F869	I721-M725 HydrophobicContact CG2-CG 4.46Å; I721-M725 PolarHBondContact O-N 2.67Å; M725-Y727 VanDerWaalsContact C-N 3.27Å; M725-Y727 PolarHBondContact O-N 3.34Å; M725-L728 HydrophobicContact CE-CD1 4.4Å; M725-L728 PolarHBondContact O-N 3.03Å; M725-L728 HydrophobicContact SD-CD1 3.94Å; M725-E729 WeakPolarHBondContact O-CB 3.39Å; M725-E729 PolarHBondContact O-N 3.48Å; M725-H735 HydrophobicContact CE-CB 3.85Å; M725-H735 HydrophobicContact SD-CB 4.27Å; M725-L738 HydrophobicContact CE-CD2 4.14Å; M725-L738 HydrophobicContact CG-CD1 4.31Å; M725-L738 HydrophobicContact CG-CD2 3.68Å; M725-L738 HydrophobicContact SD-CD1 3.9Å; M725-L738 HydrophobicContact SD-CD2 3.82Å; M725-L738 HydrophobicContact SD-CG 4.36Å; M725-I753 HydrophobicContact CG-CD1 3.59Å; M725-I753 HydrophobicContact SD-CD1 3.6Å; M725-D796 HydrophobicContact CE-CB 3.61Å; M725-F869 HydrophobicContact CB-CD1 3.43Å; M725-F869 VanDerWaalsContact CB-CD1 3.43Å; M725-F869 HydrophobicContact CB-CD2 3.9Å; M725-F869 HydrophobicContact CB-CE1 3.3Å; M725-F869 HydrophobicContact CB-CE2 3.78Å; M725-F869 HydrophobicContact CB-CG 3.73Å; M725-F869 HydrophobicContact CB-CZ 3.48Å; M725-F869 VanDerWaalsContact CB-CZ 3.48Å; M725-F869 HydrophobicContact CE-CE2 4Å; M725-F869 HydrophobicContact CE-CZ 3.92Å; M725-F869 HydrophobicContact CG-CD1 4.4Å; M725-F869 HydrophobicContact CG-CE1 3.83Å; M725-F869 HydrophobicContact CG-CZ 3.89Å
726	R	97.9	Very high	94.4	Very high	97 Å²	97	37.9 Å²	37.9	37%	0.366	18%	0.177	S	C	.	.	H	α-helix	trans	-60.1	-37.5	171.4	-170.8	-179.1	64.7	75	5	112.2	A722 D723 G724 S730 F869 A870	A722-R726 VanDerWaalsContact O-CB 3.25Å; A722-R726 WeakPolarHBondContact O-CB 3.41Å; A722-R726 PolarHBondContact O-N 2.88Å; D723-R726 IonicContact OD1-CZ 2.71Å; D723-R726 VanDerWaalsContact OD1-CZ 3.28Å; D723-R726 IonicContact OD1-NE 3.1Å; D723-R726 PolarHBondContact OD1-NE 3.18Å; D723-R726 IonicContact OD1-NH2 2.8Å; D723-R726 PolarHBondContact OD1-NH2 2.95Å; G724-R726 PolarHBondContact O-N 2.9Å; R726-S730 PolarHBondContact O-N 3.46Å; R726-S730 VanDerWaalsContact O-N 3.13Å; R726-F869 HydrophobicContact CB-CB 3.77Å; R726-F869 HydrophobicContact CG-CB 4.31Å; R726-A870 HydrophobicContact CG-CB 4.49Å
727	Y	96.8	Very high	94.1	Very high	44 Å²	44	35.6 Å²	35.6	17%	0.173	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-47.4	173.2	172.5	-97.9	0	0	0	111.3	K667 L668 D669 H670 I673 D723 G724 M725 E729 S730 L731	K667-Y727 PolarHBondContact O-OH 3.24Å; L668-Y727 HydrophobicContact CD2-CE1 4.08Å; D669-Y727 PolarHBondContact N-OH 2.87Å; H670-Y727 HydrophobicContact CB-CD1 3.65Å; H670-Y727 HydrophobicContact CB-CD2 3.96Å; H670-Y727 HydrophobicContact CB-CE1 3.92Å; H670-Y727 HydrophobicContact CB-CE2 4.2Å; H670-Y727 HydrophobicContact CB-CG 3.68Å; H670-Y727 AromaticContact CD2-CD2 3.99Å; H670-Y727 AromaticContact CG-CG 3.73Å; I673-Y727 HydrophobicContact CG1-CD1 3.95Å; D723-Y727 PolarHBondContact O-N 3.46Å; G724-Y727 WeakPolarHBondContact O-CB 3.23Å; G724-Y727 PolarHBondContact O-N 2.79Å; M725-Y727 VanDerWaalsContact C-N 3.27Å; M725-Y727 PolarHBondContact O-N 3.34Å; Y727-E729 PolarHBondContact O-N 2.64Å; Y727-S730 PolarHBondContact O-N 3.35Å; Y727-S730 PolarHBondContact O-OG 2.93Å; Y727-L731 HydrophobicContact CD1-CD1 4.3Å; Y727-L731 HydrophobicContact CE1-CD1 3.63Å; Y727-L731 HydrophobicContact CE2-CD1 4.36Å; Y727-L731 PolarHBondContact O-N 3.01Å
728	L	93.4	Very high	94	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-42.5	177	-62.9	-178.8	0	0	0	112.5	L668 I673 G724 M725 S730 L731 H732 F733 H735	L668-L728 HydrophobicContact CD1-CD2 4.35Å; L668-L728 HydrophobicContact CD2-CD2 3.88Å; I673-L728 HydrophobicContact CD1-CD1 3.89Å; I673-L728 HydrophobicContact CD1-CD2 4.15Å; I673-L728 HydrophobicContact CD1-CG 3.87Å; I673-L728 HydrophobicContact CG1-CD2 4.43Å; G724-L728 PolarHBondContact O-N 2.83Å; M725-L728 HydrophobicContact CE-CD1 4.4Å; M725-L728 PolarHBondContact O-N 3.03Å; M725-L728 HydrophobicContact SD-CD1 3.94Å; L728-S730 VanDerWaalsContact C-N 3.29Å; L728-S730 PolarHBondContact O-N 3.25Å; L728-L731 CarbonylContact O-C 3.48Å; L728-L731 WeakPolarHBondContact O-CA 3.2Å; L728-L731 PolarHBondContact O-N 3.43Å; L728-H732 PolarHBondContact O-N 3.29Å; L728-F733 HydrophobicContact CB-CB 4.29Å; L728-F733 HydrophobicContact CB-CD1 4.37Å; L728-F733 HydrophobicContact CD1-CD1 4.25Å; L728-F733 HydrophobicContact CD2-CB 4.43Å; L728-F733 HydrophobicContact CD2-CD1 4.02Å; L728-F733 HydrophobicContact CD2-CG 4.42Å; L728-F733 HydrophobicContact CG-CD1 4.44Å; L728-F733 PolarHBondContact O-N 3.38Å; L728-H735 HydrophobicContact CD1-CB 4.49Å
729	E	94.8	Very high	93.9	Very high	32 Å²	32	35.6 Å²	35.6	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-39.6	174.5	173.7	163.5	-110.3	0	0	112	M725 Y727 L731 H732 T793 F869	M725-E729 WeakPolarHBondContact O-CB 3.39Å; M725-E729 PolarHBondContact O-N 3.48Å; Y727-E729 PolarHBondContact O-N 2.64Å; E729-L731 PolarHBondContact O-N 2.85Å; E729-H732 PolarHBondContact O-N 2.76Å; E729-T793 HydrophobicContact CB-CG2 4.18Å; E729-T793 HydrophobicContact CG-CG2 4.07Å; E729-T793 WeakPolarHBondContact OE1-CB 3.36Å; E729-T793 PolarHBondContact OE1-OG1 2.82Å; E729-F869 HydrophobicContact CB-CD2 4.12Å; E729-F869 WeakPolarHBondContact OE2-CB 3.38Å; E729-F869 PolarHBondContact OE2-N 3.04Å
730	S	93.6	Very high	93.8	Very high	78 Å²	78	35.6 Å²	35.6	55%	0.545	17%	0.17	S	C	.	.	H	α-helix	trans	-67.2	-18.9	176.5	77.9	0	0	0	0	114.4	R726 Y727 L728	R726-S730 PolarHBondContact O-N 3.46Å; R726-S730 VanDerWaalsContact O-N 3.13Å; Y727-S730 PolarHBondContact O-N 3.35Å; Y727-S730 PolarHBondContact O-OG 2.93Å; L728-S730 VanDerWaalsContact C-N 3.29Å; L728-S730 PolarHBondContact O-N 3.25Å
731	L	89.1	Confident	93.5	Very high	85 Å²	85	34.8 Å²	34.8	45%	0.445	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	4.2	172.3	-60.4	-179.7	0	0	0	112.6	L668 Y727 L728 E729 F733	L668-L731 HydrophobicContact CD2-CD1 3.91Å; Y727-L731 HydrophobicContact CD1-CD1 4.3Å; Y727-L731 HydrophobicContact CE1-CD1 3.63Å; Y727-L731 HydrophobicContact CE2-CD1 4.36Å; Y727-L731 PolarHBondContact O-N 3.01Å; L728-L731 CarbonylContact O-C 3.48Å; L728-L731 WeakPolarHBondContact O-CA 3.2Å; L728-L731 PolarHBondContact O-N 3.43Å; E729-L731 PolarHBondContact O-N 2.85Å; L731-F733 HydrophobicContact CB-CB 4.23Å; L731-F733 PolarHBondContact O-N 2.88Å
732	H	84.8	Confident	93.3	Very high	165 Å²	165	35.1 Å²	35.1	76%	0.764	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	30	-167.7	-55.9	-52.3	0	0	0	113.3	L728 E729	L728-H732 PolarHBondContact O-N 3.29Å; E729-H732 PolarHBondContact O-N 2.76Å
733	F	85.4	Confident	93.1	Very high	46 Å²	46	35.1 Å²	35.1	20%	0.202	17%	0.168	C	C	.	.			trans	-92	127	-179.8	-170.7	-84	0	0	0	110.3	V664 L728 L731 F756	V664-F733 HydrophobicContact CB-CE2 4.33Å; V664-F733 HydrophobicContact CG1-CD2 3.8Å; V664-F733 HydrophobicContact CG1-CE2 3.36Å; V664-F733 HydrophobicContact CG1-CZ 3.97Å; V664-F733 HydrophobicContact CG2-CE2 4.09Å; L728-F733 HydrophobicContact CB-CB 4.29Å; L728-F733 HydrophobicContact CB-CD1 4.37Å; L728-F733 HydrophobicContact CD1-CD1 4.25Å; L728-F733 HydrophobicContact CD2-CB 4.43Å; L728-F733 HydrophobicContact CD2-CD1 4.02Å; L728-F733 HydrophobicContact CD2-CG 4.42Å; L728-F733 HydrophobicContact CG-CD1 4.44Å; L728-F733 PolarHBondContact O-N 3.38Å; L731-F733 HydrophobicContact CB-CB 4.23Å; L731-F733 PolarHBondContact O-N 2.88Å; F733-F756 HydrophobicContact CD1-CZ 4.47Å; F733-F756 AromaticContact CE1-CE1 3.59Å; F733-F756 HydrophobicContact CE1-CE1 3.59Å; F733-F756 HydrophobicContact CE1-CE2 4.37Å; F733-F756 AromaticContact CE1-CZ 3.33Å; F733-F756 HydrophobicContact CE1-CZ 3.33Å; F733-F756 AromaticContact CZ-CE1 3.76Å; F733-F756 HydrophobicContact CZ-CE1 3.76Å; F733-F756 HydrophobicContact CZ-CE2 4.31Å; F733-F756 AromaticContact CZ-CZ 3.57Å; F733-F756 HydrophobicContact CZ-CZ 3.57Å
734	V	89.9	Confident	92.9	Very high	30 Å²	30	36.6 Å²	36.6	18%	0.182	18%	0.175	C	C	.	.			trans	-104.3	121.7	-179.4	-172.7	0	0	0	0	109.6	R736 F791 S792 T793 D796	V734-R736 HydrophobicContact CB-CG 4.41Å; V734-R736 HydrophobicContact CG1-CG 3.82Å; V734-F791 HydrophobicContact CG1-CB 4.33Å; V734-S792 WeakPolarHBondContact CG1-O 3.29Å; V734-T793 HydrophobicContact CG2-CG2 4.35Å; V734-D796 VanDerWaalsContact CA-OD2 3.27Å; V734-D796 WeakPolarHBondContact CA-OD2 3.06Å; V734-D796 WeakPolarHBondContact CG1-OD2 3.44Å
735	H	90.6	Very high	92.8	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.032	18%	0.175	C	C	.	.			trans	-74	-37.4	-176	-165.3	-75.8	0	0	0	113.1	M725 L728 D737 L738 I753 D796	M725-H735 HydrophobicContact CE-CB 3.85Å; M725-H735 HydrophobicContact SD-CB 4.27Å; L728-H735 HydrophobicContact CD1-CB 4.49Å; H735-D737 PolarHBondContact CE1-O 3.12Å; H735-D737 VanDerWaalsContact CE1-O 3.26Å; H735-D737 VanDerWaalsContact ND1-C 3.25Å; H735-D737 PolarHBondContact ND1-O 3.21Å; H735-D737 PolarHBondContact O-N 3.3Å; H735-L738 PolarHBondContact ND1-N 2.85Å; H735-I753 VanDerWaalsContact NE2-CG2 3.29Å; H735-I753 WeakPolarHBondContact NE2-CG2 3.49Å; H735-D796 PolarHBondContact N-OD1 3.49Å; H735-D796 PolarHBondContact N-OD2 2.94Å
736	R	88.7	Confident	92.6	Very high	92 Å²	92	37.6 Å²	37.6	35%	0.347	18%	0.181	S	C	.	.	S	Bend	trans	65.5	-25.7	178.5	-50.3	-175.4	-176.2	-155.6	-5.1	116.8	Y571 V734 F791 D796	Y571-R736 PolarHBondContact O-NH1 3.32Å; V734-R736 HydrophobicContact CB-CG 4.41Å; V734-R736 HydrophobicContact CG1-CG 3.82Å; R736-F791 HydrophobicContact CB-CD1 4.05Å; R736-F791 HydrophobicContact CB-CE1 4.17Å; R736-F791 HydrophobicContact CG-CB 4.43Å; R736-F791 HydrophobicContact CG-CD1 3.74Å; R736-F791 HydrophobicContact CG-CE1 4.29Å; R736-F791 HydrophobicContact CG-CG 4.25Å; R736-D796 PolarHBondContact N-OD1 2.83Å
737	D	90.6	Very high	92.3	Very high	28 Å²	28	38.5 Å²	38.5	15%	0.15	19%	0.189	C	C	.	.			trans	-131.9	53.4	179.1	-172	27.4	0	0	0	112	H735 A739 R741 N742 Y767 P777	H735-D737 PolarHBondContact CE1-O 3.12Å; H735-D737 VanDerWaalsContact CE1-O 3.26Å; H735-D737 VanDerWaalsContact ND1-C 3.25Å; H735-D737 PolarHBondContact ND1-O 3.21Å; H735-D737 PolarHBondContact O-N 3.3Å; D737-A739 PolarHBondContact O-N 3.21Å; D737-R741 IonicContact OD1-CZ 3.49Å; D737-R741 IonicContact OD1-NE 3.34Å; D737-R741 IonicContact OD1-NH2 3.42Å; D737-R741 PolarHBondContact OD1-NH2 2.83Å; D737-N742 PolarHBondContact O-ND2 2.97Å; D737-N742 PolarHBondContact OD2-ND2 2.95Å; D737-Y767 WeakPolarHBondContact OD2-CE1 3.08Å; D737-Y767 PolarHBondContact OD2-OH 3.11Å; D737-P777 HydrophobicContact CB-CG 4.33Å; D737-P777 WeakPolarHBondContact OD1-CB 3.36Å; D737-P777 WeakPolarHBondContact OD1-CG 3.43Å
738	L	95.1	Very high	92.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.			trans	-80.3	117.9	175.9	-179.4	66.5	0	0	0	110.2	I721 M725 H735 I753 W780 A799 F800 T803	I721-L738 HydrophobicContact CG2-CD1 4.22Å; M725-L738 HydrophobicContact CE-CD2 4.14Å; M725-L738 HydrophobicContact CG-CD1 4.31Å; M725-L738 HydrophobicContact CG-CD2 3.68Å; M725-L738 HydrophobicContact SD-CD1 3.9Å; M725-L738 HydrophobicContact SD-CD2 3.82Å; M725-L738 HydrophobicContact SD-CG 4.36Å; H735-L738 PolarHBondContact ND1-N 2.85Å; L738-I753 HydrophobicContact CD1-CD1 4.17Å; L738-I753 HydrophobicContact CD1-CG2 4.06Å; L738-W780 VanDerWaalsContact O-CD1 3.22Å; L738-A799 HydrophobicContact CB-CB 4.02Å; L738-F800 HydrophobicContact CD2-CB 3.79Å; L738-F800 HydrophobicContact CD2-CD2 4.44Å; L738-T803 PolarHBondContact O-OG1 3.09Å
739	A	95.5	Very high	92.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-156.7	165.2	178.4	0	0	0	0	0	110.4	D737 R741 N742 W780 T803	D737-A739 PolarHBondContact O-N 3.21Å; A739-R741 HydrophobicContact CB-CG 3.77Å; A739-R741 VanDerWaalsContact CB-CZ 3.48Å; A739-R741 PolarHBondContact O-N 2.89Å; A739-N742 PolarHBondContact O-N 2.61Å; A739-W780 HydrophobicContact CB-CD2 4.22Å; A739-W780 HydrophobicContact CB-CG 4.25Å; A739-W780 HydrophobicContact CB-CZ2 4.27Å; A739-T803 WeakPolarHBondContact CA-OG1 3.44Å
740	T	95.7	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64.7	-23.5	178.2	64.1	0	0	0	0	113.9	L698 N699 L702 N742 C743 T803 E806 V807	L698-T740 WeakPolarHBondContact CB-O 3.42Å; L698-T740 HydrophobicContact CD2-CG2 4.04Å; L698-T740 HydrophobicContact CG-CG2 4.37Å; L698-T740 PolarHBondContact N-O 2.98Å; N699-T740 VanDerWaalsContact CB-OG1 3.27Å; N699-T740 WeakPolarHBondContact CB-OG1 3.37Å; N699-T740 PolarHBondContact N-O 2.88Å; N699-T740 PolarHBondContact ND2-OG1 2.93Å; L702-T740 HydrophobicContact CD1-CG2 4.33Å; T740-N742 PolarHBondContact O-N 3.36Å; T740-C743 PolarHBondContact O-N 2.85Å; T740-T803 HydrophobicContact CG2-CG2 3.88Å; T740-E806 HydrophobicContact CG2-CB 3.52Å; T740-E806 HydrophobicContact CG2-CG 4.29Å; T740-E806 PolarHBondContact N-OE2 3.03Å; T740-E806 VanDerWaalsContact OG1-CD 3.3Å; T740-E806 PolarHBondContact OG1-OE1 3.02Å; T740-V807 HydrophobicContact CG2-CG2 3.96Å
741	R	92.3	Very high	92.7	Very high	8 Å²	8	40 Å²	40	3%	0.03	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-64.3	-26.2	172.1	55.9	168.6	179.8	-75	-13.1	113.4	D697 N699 D737 A739 Y763 D766 Y767 W780	D697-R741 WeakPolarHBondContact CB-O 3.46Å; N699-R741 HydrophobicContact CB-CB 4.41Å; D737-R741 IonicContact OD1-CZ 3.49Å; D737-R741 IonicContact OD1-NE 3.34Å; D737-R741 IonicContact OD1-NH2 3.42Å; D737-R741 PolarHBondContact OD1-NH2 2.83Å; A739-R741 HydrophobicContact CB-CG 3.77Å; A739-R741 VanDerWaalsContact CB-CZ 3.48Å; A739-R741 PolarHBondContact O-N 2.89Å; R741-Y763 HydrophobicContact CB-CD1 4.06Å; R741-Y763 HydrophobicContact CB-CD2 3.81Å; R741-Y763 HydrophobicContact CB-CE1 3.96Å; R741-Y763 HydrophobicContact CB-CE2 3.7Å; R741-Y763 HydrophobicContact CB-CG 4.02Å; R741-D766 IonicContact CZ-OD2 3Å; R741-D766 IonicContact NE-OD2 2.8Å; R741-D766 VanDerWaalsContact NH1-CG 3.32Å; R741-D766 IonicContact NH1-OD2 3.51Å; R741-D766 PolarHBondContact NH1-OD2 2.86Å; R741-Y767 PolarHBondContact NE-OH 3.32Å; R741-W780 VanDerWaalsContact NH1-CZ2 3.28Å; R741-W780 VanDerWaalsContact NH1-CZ3 3.26Å
742	N	92.8	Very high	93	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.043	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-103.5	18.1	-178.4	-64.1	-8.6	0	0	0	111.4	D737 A739 T740 A754	D737-N742 PolarHBondContact O-ND2 2.97Å; D737-N742 PolarHBondContact OD2-ND2 2.95Å; A739-N742 PolarHBondContact O-N 2.61Å; T740-N742 PolarHBondContact O-N 3.36Å; N742-A754 PolarHBondContact O-N 2.77Å
743	C	95.1	Very high	93.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.8	171.1	-67	0	0	0	0	108.6	D697 L698 T740 I751	D697-C743 CarbonylContact C-O 3.56Å; D697-C743 VanDerWaalsContact CA-O 3.31Å; D697-C743 WeakPolarHBondContact CA-O 3.45Å; L698-C743 HydrophobicContact CB-CB 3.88Å; L698-C743 WeakPolarHBondContact CB-O 3.4Å; L698-C743 HydrophobicContact CD2-CB 4.02Å; L698-C743 PolarHBondContact N-O 2.97Å; T740-C743 PolarHBondContact O-N 2.85Å; C743-I751 HydrophobicContact CB-CG2 3.94Å
744	L	93.8	Very high	93.5	Very high	46 Å²	46	27.5 Å²	27.5	24%	0.241	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.3	-179.1	-59.5	179.9	0	0	0	112.1	I674 M693 G696 D697 I751 K752 A754	I674-L744 HydrophobicContact CD1-CD1 4.2Å; M693-L744 HydrophobicContact CB-CB 3.79Å; M693-L744 HydrophobicContact CB-CD1 4.22Å; M693-L744 HydrophobicContact CE-CB 3.86Å; M693-L744 WeakPolarHBondContact CE-O 3.17Å; M693-L744 HydrophobicContact CG-CB 3.62Å; M693-L744 HydrophobicContact CG-CD1 3.78Å; M693-L744 HydrophobicContact CG-CG 4.35Å; G696-L744 CarbonylContact O-C 3.56Å; G696-L744 WeakPolarHBondContact O-CA 3.49Å; D697-L744 HydrophobicContact CB-CD2 3.91Å; L744-I751 CarbonylContact O-C 3.58Å; L744-I751 VanDerWaalsContact O-CA 3.32Å; L744-I751 WeakPolarHBondContact O-CA 3.22Å; L744-K752 PolarHBondContact N-O 2.9Å; L744-K752 PolarHBondContact O-N 2.79Å; L744-A754 HydrophobicContact CD1-CB 3.58Å; L744-A754 HydrophobicContact CG-CB 3.75Å
745	L	94.8	Very high	92.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.4	-178	-76.3	153.1	0	0	0	113	M693 E694 N695 G696 L698 Y701 F717 L749 N750 I751	M693-L745 CarbonylContact C-O 3.57Å; E694-L745 PolarHBondContact N-O 3.08Å; N695-L745 HydrophobicContact CB-CB 3.57Å; N695-L745 PolarHBondContact N-O 2.84Å; G696-L745 PolarHBondContact O-N 2.91Å; L698-L745 HydrophobicContact CB-CD1 4.36Å; L698-L745 HydrophobicContact CD1-CD1 3.93Å; Y701-L745 VanDerWaalsContact CB-CD1 3.43Å; Y701-L745 HydrophobicContact CD1-CD1 3.84Å; Y701-L745 HydrophobicContact CD2-CD1 3.75Å; Y701-L745 HydrophobicContact CE2-CD1 4.46Å; Y701-L745 HydrophobicContact CG-CD1 3.38Å; F717-L745 HydrophobicContact CE1-CD2 3.86Å; F717-L745 HydrophobicContact CZ-CD2 3.96Å; L745-L749 HydrophobicContact CD2-CB 3.96Å; L745-L749 HydrophobicContact CD2-CD2 4.34Å; L745-N750 WeakPolarHBondContact CA-O 3.08Å; L745-I751 HydrophobicContact CD2-CD1 3.46Å; L745-I751 VanDerWaalsContact CD2-CD1 3.46Å; L745-I751 HydrophobicContact CG-CD1 3.81Å
746	D	94	Very high	90.8	Very high	21 Å²	21	29.1 Å²	29.1	11%	0.112	14%	0.138	C	C	.	.			trans	-78.6	-179.8	169.8	76.3	10.9	0	0	0	112	M693 E694 N695 Q748 L749 N750	M693-D746 HydrophobicContact CE-CB 4.09Å; M693-D746 HydrophobicContact SD-CB 4.38Å; E694-D746 VanDerWaalsContact OE2-CA 3.31Å; E694-D746 WeakPolarHBondContact OE2-CA 3.3Å; N695-D746 PolarHBondContact ND2-O 3.09Å; D746-Q748 VanDerWaalsContact C-N 3.32Å; D746-Q748 PolarHBondContact O-N 2.86Å; D746-Q748 VanDerWaalsContact OD1-C 3.3Å; D746-Q748 WeakPolarHBondContact OD1-CA 3.44Å; D746-Q748 PolarHBondContact OD1-N 2.96Å; D746-L749 PolarHBondContact O-N 2.8Å; D746-L749 PolarHBondContact OD1-N 3.02Å; D746-N750 PolarHBondContact N-O 2.7Å; D746-N750 VanDerWaalsContact N-O 3.13Å; D746-N750 PolarHBondContact OD1-N 2.71Å; D746-N750 PolarHBondContact OD1-ND2 2.92Å; D746-N750 VanDerWaalsContact OD2-CB 3.32Å; D746-N750 WeakPolarHBondContact OD2-CB 3.21Å; D746-N750 PolarHBondContact OD2-ND2 3.1Å
747	H	92.4	Very high	88.9	Confident	117 Å²	117	25.8 Å²	25.8	54%	0.542	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.7	179.7	60.9	-85.2	0	0	0	114.9	E694 L749	E694-H747 HydrophobicContact CB-CB 4.41Å; E694-H747 HydrophobicContact CG-CB 4.26Å; E694-H747 IonicContact OE1-CE1 2.74Å; E694-H747 IonicContact OE1-CG 3.72Å; E694-H747 IonicContact OE1-ND1 2.7Å; E694-H747 PolarHBondContact OE1-ND1 2.98Å; E694-H747 PolarHBondContact OE2-N 2.95Å; E694-H747 IonicContact OE2-ND1 3.61Å; H747-L749 VanDerWaalsContact C-N 3.31Å
748	Q	95.4	Very high	87	Confident	106 Å²	106	26.6 Å²	26.6	50%	0.495	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.2	169.1	-64.9	88.5	-7.5	0	0	113.3	D746	D746-Q748 VanDerWaalsContact C-N 3.32Å; D746-Q748 PolarHBondContact O-N 2.86Å; D746-Q748 VanDerWaalsContact OD1-C 3.3Å; D746-Q748 WeakPolarHBondContact OD1-CA 3.44Å; D746-Q748 PolarHBondContact OD1-N 2.96Å
749	L	95.6	Very high	84.8	Confident	31 Å²	31	27.6 Å²	27.6	16%	0.162	14%	0.144	C	C	.	.			trans	64.1	34.7	-174.4	-47.7	175.7	0	0	0	113.3	N695 Y701 R716 F717 L745 D746 H747	N695-L749 HydrophobicContact CB-CD2 4.28Å; N695-L749 WeakPolarHBondContact ND2-CD2 3.47Å; Y701-L749 HydrophobicContact CE1-CD2 4.37Å; Y701-L749 HydrophobicContact CE2-CD2 3.7Å; Y701-L749 WeakPolarHBondContact OH-CD1 3.39Å; Y701-L749 VanDerWaalsContact OH-CD2 3.3Å; Y701-L749 WeakPolarHBondContact OH-CD2 3.34Å; R716-L749 PolarHBondContact NH1-O 2.85Å; F717-L749 HydrophobicContact CE1-CB 4.11Å; F717-L749 WeakPolarHBondContact CE1-O 3.47Å; F717-L749 HydrophobicContact CZ-CB 4.4Å; L745-L749 HydrophobicContact CD2-CB 3.96Å; L745-L749 HydrophobicContact CD2-CD2 4.34Å; D746-L749 PolarHBondContact O-N 2.8Å; D746-L749 PolarHBondContact OD1-N 3.02Å; H747-L749 VanDerWaalsContact C-N 3.31Å
750	N	97.8	Very high	83	Confident	50 Å²	50	30.6 Å²	30.6	27%	0.267	16%	0.156	S	C	.	.			trans	-80.7	139.3	165.2	-54.7	-63.9	0	0	0	110.7	Q720 L745 D746	Q720-N750 PolarHBondContact NE2-OD1 3.02Å; L745-N750 WeakPolarHBondContact CA-O 3.08Å; D746-N750 PolarHBondContact N-O 2.7Å; D746-N750 VanDerWaalsContact N-O 3.13Å; D746-N750 PolarHBondContact OD1-N 2.71Å; D746-N750 PolarHBondContact OD1-ND2 2.92Å; D746-N750 VanDerWaalsContact OD2-CB 3.32Å; D746-N750 WeakPolarHBondContact OD2-CB 3.21Å; D746-N750 PolarHBondContact OD2-ND2 3.1Å
751	I	97.7	Very high	81.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.2	175.7	-56.5	-61.7	0	0	0	110.9	N672 L698 F717 Q720 I721 C743 L744 L745	N672-I751 WeakPolarHBondContact CA-O 3.32Å; N672-I751 PolarHBondContact ND2-O 3.27Å; L698-I751 HydrophobicContact CB-CD1 4.43Å; L698-I751 HydrophobicContact CD1-CD1 4.01Å; L698-I751 HydrophobicContact CD2-CD1 3.91Å; L698-I751 HydrophobicContact CG-CD1 4.34Å; F717-I751 HydrophobicContact CB-CD1 4.35Å; F717-I751 HydrophobicContact CB-CG1 4.06Å; F717-I751 HydrophobicContact CD1-CD1 4.02Å; F717-I751 HydrophobicContact CD1-CG1 3.97Å; F717-I751 HydrophobicContact CG-CD1 4.13Å; F717-I751 HydrophobicContact CG-CG1 4.2Å; Q720-I751 HydrophobicContact CB-CB 3.98Å; Q720-I751 HydrophobicContact CB-CG1 4.28Å; I721-I751 HydrophobicContact CG1-CB 4.47Å; I721-I751 HydrophobicContact CG1-CG1 4.48Å; I721-I751 HydrophobicContact CG1-CG2 3.75Å; C743-I751 HydrophobicContact CB-CG2 3.94Å; L744-I751 CarbonylContact O-C 3.58Å; L744-I751 VanDerWaalsContact O-CA 3.32Å; L744-I751 WeakPolarHBondContact O-CA 3.22Å; L745-I751 HydrophobicContact CD2-CD1 3.46Å; L745-I751 VanDerWaalsContact CD2-CD1 3.46Å; L745-I751 HydrophobicContact CG-CD1 3.81Å
752	K	95.4	Very high	79.8	Confident	26 Å²	26	39.4 Å²	39.4	11%	0.113	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125	157.9	-59.2	-170.1	170.7	-141.5	0	110.2	A671 N672 I674 E691 M693 L744	A671-K752 VanDerWaalsContact O-CE 3.27Å; A671-K752 WeakPolarHBondContact O-CE 3.5Å; N672-K752 WeakPolarHBondContact O-CA 3.44Å; I674-K752 HydrophobicContact CB-CB 4.5Å; I674-K752 HydrophobicContact CD1-CB 4.29Å; I674-K752 HydrophobicContact CD1-CD 4.26Å; E691-K752 HydrophobicContact CG-CD 4.48Å; E691-K752 WeakPolarHBondContact OE1-CD 3.48Å; E691-K752 WeakPolarHBondContact OE1-CE 3.43Å; E691-K752 IonicContact OE1-NZ 3.88Å; E691-K752 PolarHBondContact OE1-NZ 2.79Å; E691-K752 VanDerWaalsContact OE2-CE 3.25Å; E691-K752 WeakPolarHBondContact OE2-CE 3.22Å; E691-K752 IonicContact OE2-NZ 2.91Å; E691-K752 PolarHBondContact OE2-NZ 3.45Å; M693-K752 HydrophobicContact CE-CB 3.76Å; M693-K752 HydrophobicContact CE-CD 3.94Å; M693-K752 HydrophobicContact CE-CG 3.68Å; M693-K752 HydrophobicContact SD-CD 3.94Å; M693-K752 HydrophobicContact SD-CG 4.35Å; L744-K752 PolarHBondContact N-O 2.9Å; L744-K752 PolarHBondContact O-N 2.79Å
753	I	94.9	Very high	79	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.7	171.9	-52.5	176	0	0	0	107.3	N672 I673 I674 I721 M725 H735 L738	N672-I753 PolarHBondContact O-N 2.66Å; I673-I753 HydrophobicContact CD1-CB 3.97Å; I673-I753 HydrophobicContact CD1-CD1 4.24Å; I673-I753 HydrophobicContact CD1-CG1 4.44Å; I674-I753 PolarHBondContact N-O 2.74Å; I721-I753 HydrophobicContact CG2-CD1 4.05Å; M725-I753 HydrophobicContact CG-CD1 3.59Å; M725-I753 HydrophobicContact SD-CD1 3.6Å; H735-I753 VanDerWaalsContact NE2-CG2 3.29Å; H735-I753 WeakPolarHBondContact NE2-CG2 3.49Å; L738-I753 HydrophobicContact CD1-CD1 4.17Å; L738-I753 HydrophobicContact CD1-CG2 4.06Å
754	A	86.6	Confident	78	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.041	23%	0.231	C	C	.	.			trans	-133.5	157.1	-171.3	0	0	0	0	0	111.5	I674 N742 L744	I674-A754 HydrophobicContact CB-CB 3.9Å; I674-A754 HydrophobicContact CG1-CB 4.36Å; I674-A754 HydrophobicContact CG2-CB 3.83Å; N742-A754 PolarHBondContact O-N 2.77Å; L744-A754 HydrophobicContact CD1-CB 3.58Å; L744-A754 HydrophobicContact CG-CB 3.75Å
755	D	69.5	Low	77.1	Confident	24 Å²	24	46.6 Å²	46.6	13%	0.128	24%	0.244	C	C	.	.			trans	67.6	112.3	151.1	-172.8	60.9	0	0	0	118.7	K644 M758	K644-D755 IonicContact NZ-OD1 2.77Å; K644-D755 PolarHBondContact NZ-OD1 2.83Å; D755-M758 HydrophobicContact CB-SD 4.15Å; D755-M758 VanDerWaalsContact CG-CG 3.47Å; D755-M758 WeakPolarHBondContact OD1-CG 3.37Å; D755-M758 PolarHBondContact OD1-N 2.59Å; D755-M758 WeakPolarHBondContact OD2-CA 3.26Å; D755-M758 WeakPolarHBondContact OD2-CB 3.49Å; D755-M758 WeakPolarHBondContact OD2-CG 3.16Å; D755-M758 PolarHBondContact OD2-N 3.12Å
756	F	52.2	Low	76.4	Confident	46 Å²	46	47.3 Å²	47.3	20%	0.202	25%	0.248	C	C	.	.	S	Bend	trans	-92.5	109.3	155.7	-50.1	-83.3	0	0	0	107	K644 L665 F733	K644-F756 PolarHBondContact NZ-O 3.37Å; L665-F756 HydrophobicContact CD2-CD2 4.15Å; L665-F756 HydrophobicContact CD2-CE2 4.12Å; F733-F756 HydrophobicContact CD1-CZ 4.47Å; F733-F756 AromaticContact CE1-CE1 3.59Å; F733-F756 HydrophobicContact CE1-CE1 3.59Å; F733-F756 HydrophobicContact CE1-CE2 4.37Å; F733-F756 AromaticContact CE1-CZ 3.33Å; F733-F756 HydrophobicContact CE1-CZ 3.33Å; F733-F756 AromaticContact CZ-CE1 3.76Å; F733-F756 HydrophobicContact CZ-CE1 3.76Å; F733-F756 HydrophobicContact CZ-CE2 4.31Å; F733-F756 AromaticContact CZ-CZ 3.57Å; F733-F756 HydrophobicContact CZ-CZ 3.57Å
757	G	49.6	Very low	75.8	Confident	23 Å²	23	47 Å²	47	24%	0.237	25%	0.245	C	C	.	.	S	Bend	trans	99.8	16.1	162	0	0	0	0	0	119.8
758	M	50.1	Low	75.1	Confident	44 Å²	44	43.1 Å²	43.1	22%	0.217	23%	0.226	C	C	.	.			trans	-99.2	65	163.4	-55.7	157.4	45.4	0	0	110.6	V626 K644 D755 R760	V626-M758 HydrophobicContact CB-CE 4.06Å; V626-M758 HydrophobicContact CG2-CE 3.43Å; V626-M758 VanDerWaalsContact CG2-CE 3.43Å; V626-M758 HydrophobicContact CG2-CG 4.13Å; V626-M758 HydrophobicContact CG2-SD 3.41Å; V626-M758 WeakPolarHBondContact CG2-SD 3.02Å; K644-M758 HydrophobicContact CD-CG 4.17Å; K644-M758 HydrophobicContact CD-SD 4.17Å; D755-M758 HydrophobicContact CB-SD 4.15Å; D755-M758 VanDerWaalsContact CG-CG 3.47Å; D755-M758 WeakPolarHBondContact OD1-CG 3.37Å; D755-M758 PolarHBondContact OD1-N 2.59Å; D755-M758 WeakPolarHBondContact OD2-CA 3.26Å; D755-M758 WeakPolarHBondContact OD2-CB 3.49Å; D755-M758 WeakPolarHBondContact OD2-CG 3.16Å; D755-M758 PolarHBondContact OD2-N 3.12Å; M758-R760 PolarHBondContact O-N 3.29Å
759	A	49	Very low	73.8	Confident	22 Å²	22	43.4 Å²	43.4	18%	0.182	22%	0.222	C	C	.	.			trans	-61.8	86.7	163.6	0	0	0	0	0	109.7	Y767	A759-Y767 HydrophobicContact CB-CD2 4.45Å; A759-Y767 HydrophobicContact CB-CE2 4Å
760	R	58	Low	72	Confident	63 Å²	63	44 Å²	44	24%	0.238	23%	0.225	C	C	.	.			trans	-56.5	142.7	176.1	-59.4	175.8	93.9	-164.9	2.5	107.7	L618 E620 D697 M758 L762 Y763	L618-R760 PolarHBondContact O-NH2 3.1Å; E620-R760 WeakPolarHBondContact O-CA 3.09Å; D697-R760 IonicContact OD2-CZ 2.74Å; D697-R760 IonicContact OD2-NH1 3.76Å; D697-R760 PolarHBondContact OD2-NH1 3.39Å; M758-R760 PolarHBondContact O-N 3.29Å; R760-L762 HydrophobicContact CB-CB 4.41Å; R760-L762 PolarHBondContact O-N 3.16Å; R760-Y763 HydrophobicContact CB-CD2 3.98Å; R760-Y763 HydrophobicContact CB-CE2 4.38Å; R760-Y763 HydrophobicContact CG-CD2 4.43Å; R760-Y763 PolarHBondContact O-N 3.05Å
761	S	57.3	Low	69.7	Low	85 Å²	85	44.9 Å²	44.9	59%	0.594	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-53.3	-23.6	175.7	59	0	0	0	0	114	Y763	S761-Y763 VanDerWaalsContact C-N 3.32Å; S761-Y763 PolarHBondContact O-N 2.89Å
762	L	63.9	Low	67.1	Low	108 Å²	108	47.8 Å²	47.8	57%	0.565	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-62.3	-31.4	173.4	-160.9	74.8	0	0	0	114	R760	R760-L762 HydrophobicContact CB-CB 4.41Å; R760-L762 PolarHBondContact O-N 3.16Å
763	Y	76.3	Confident	65	Low	14 Å²	14	52.3 Å²	52.3	6%	0.055	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-106.9	14.3	-173.9	-57.7	-60.4	0	0	0	113.4	D697 N699 R741 R760 S761 N765 D766 Y767	D697-Y763 VanDerWaalsContact CG-OH 3.25Å; D697-Y763 PolarHBondContact OD1-OH 2.63Å; D697-Y763 PolarHBondContact OD2-OH 3.18Å; N699-Y763 HydrophobicContact CB-CE1 4.29Å; R741-Y763 HydrophobicContact CB-CD1 4.06Å; R741-Y763 HydrophobicContact CB-CD2 3.81Å; R741-Y763 HydrophobicContact CB-CE1 3.96Å; R741-Y763 HydrophobicContact CB-CE2 3.7Å; R741-Y763 HydrophobicContact CB-CG 4.02Å; R760-Y763 HydrophobicContact CB-CD2 3.98Å; R760-Y763 HydrophobicContact CB-CE2 4.38Å; R760-Y763 HydrophobicContact CG-CD2 4.43Å; R760-Y763 PolarHBondContact O-N 3.05Å; S761-Y763 VanDerWaalsContact C-N 3.32Å; S761-Y763 PolarHBondContact O-N 2.89Å; Y763-N765 PolarHBondContact O-N 2.97Å; Y763-N765 VanDerWaalsContact O-N 3.09Å; Y763-D766 WeakPolarHBondContact O-CB 3.36Å; Y763-D766 PolarHBondContact O-N 3.15Å; Y763-Y767 VanDerWaalsContact O-CD2 3.3Å; Y763-Y767 WeakPolarHBondContact O-CD2 3.2Å
764	Q	73.7	Confident	63.3	Low	96 Å²	96	54.7 Å²	54.7	45%	0.449	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.7	-31	-179.2	-77.6	176.8	-6.9	0	0	113.6	D766 Y767	Q764-D766 VanDerWaalsContact C-N 3.28Å; Q764-D766 PolarHBondContact O-N 2.99Å; Q764-Y767 PolarHBondContact O-N 2.81Å
765	N	75.8	Confident	62.5	Low	94 Å²	94	55.7 Å²	55.7	50%	0.503	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-77	-8.2	178	-60	-16.8	0	0	0	114	Y763 Y767 Q814	Y763-N765 PolarHBondContact O-N 2.97Å; Y763-N765 VanDerWaalsContact O-N 3.09Å; N765-Y767 VanDerWaalsContact C-N 3.35Å; N765-Q814 PolarHBondContact O-NE2 2.8Å
766	D	79.5	Confident	63	Low	16 Å²	16	55.7 Å²	55.7	9%	0.086	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-82.5	-17.4	173.4	-71.2	-12.1	0	0	0	112.1	R741 Y763 Q764 W780 Q814	R741-D766 IonicContact CZ-OD2 3Å; R741-D766 IonicContact NE-OD2 2.8Å; R741-D766 VanDerWaalsContact NH1-CG 3.32Å; R741-D766 IonicContact NH1-OD2 3.51Å; R741-D766 PolarHBondContact NH1-OD2 2.86Å; Y763-D766 WeakPolarHBondContact O-CB 3.36Å; Y763-D766 PolarHBondContact O-N 3.15Å; Q764-D766 VanDerWaalsContact C-N 3.28Å; Q764-D766 PolarHBondContact O-N 2.99Å; D766-W780 HydrophobicContact CB-CH2 3.99Å; D766-W780 HydrophobicContact CB-CZ3 3.73Å; D766-W780 VanDerWaalsContact CG-CH2 3.48Å; D766-Q814 PolarHBondContact OD1-NE2 3.34Å
767	Y	80.9	Confident	64.8	Low	14 Å²	14	53.8 Å²	53.8	6%	0.055	28%	0.282	C	S	.	.	S	Bend	trans	-110.4	113	-177.9	-56.4	-89.9	0	0	0	111	D737 R741 A759 Y763 Q764 N765 R769 L776 P777	D737-Y767 WeakPolarHBondContact OD2-CE1 3.08Å; D737-Y767 PolarHBondContact OD2-OH 3.11Å; R741-Y767 PolarHBondContact NE-OH 3.32Å; A759-Y767 HydrophobicContact CB-CD2 4.45Å; A759-Y767 HydrophobicContact CB-CE2 4Å; Y763-Y767 VanDerWaalsContact O-CD2 3.3Å; Y763-Y767 WeakPolarHBondContact O-CD2 3.2Å; Q764-Y767 PolarHBondContact O-N 2.81Å; N765-Y767 VanDerWaalsContact C-N 3.35Å; Y767-R769 PolarHBondContact O-N 2.93Å; Y767-L776 CarbonylContact C-O 3.56Å; Y767-L776 WeakPolarHBondContact CA-O 3.36Å; Y767-P777 HydrophobicContact CD1-CB 4.09Å; Y767-P777 HydrophobicContact CE1-CB 4.09Å
768	Y	78.8	Confident	66.8	Low	35 Å²	35	52.8 Å²	52.8	14%	0.137	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.6	169	170.9	-114	0	0	0	109.3	I28 I770 L776 I778 D821 I825	I28-Y768 HydrophobicContact CD1-CE2 3.97Å; I28-Y768 WeakPolarHBondContact CD1-OH 3.49Å; I28-Y768 VanDerWaalsContact CG1-OH 3.26Å; I28-Y768 WeakPolarHBondContact CG1-OH 3.2Å; Y768-I770 HydrophobicContact CD1-CG1 4.03Å; Y768-I770 HydrophobicContact CE1-CD1 3.87Å; Y768-I770 HydrophobicContact CE1-CG1 3.32Å; Y768-L776 PolarHBondContact N-O 2.94Å; Y768-L776 PolarHBondContact O-N 3.44Å; Y768-I778 HydrophobicContact CD1-CD1 4.35Å; Y768-I778 HydrophobicContact CD1-CG2 3.99Å; Y768-I778 HydrophobicContact CG-CD1 3.94Å; Y768-I778 HydrophobicContact CG-CG1 4.49Å; Y768-I778 HydrophobicContact CG-CG2 4.36Å; Y768-D821 HydrophobicContact CD2-CB 3.85Å; Y768-D821 HydrophobicContact CG-CB 4.44Å; Y768-I825 HydrophobicContact CD1-CD1 4.4Å; Y768-I825 HydrophobicContact CE1-CD1 4.12Å
769	R	67.9	Low	69	Low	112 Å²	112	51.2 Å²	51.2	42%	0.423	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.4	-177.2	-59.8	-154.2	161.6	-142.5	-12	110.8	E622 Y767 V775	E622-R769 IonicContact OE1-NH1 3.74Å; E622-R769 IonicContact OE2-CZ 3.73Å; E622-R769 IonicContact OE2-NH1 3.56Å; E622-R769 PolarHBondContact OE2-NH1 3.04Å; E622-R769 IonicContact OE2-NH2 2.74Å; E622-R769 PolarHBondContact OE2-NH2 3.45Å; Y767-R769 PolarHBondContact O-N 2.93Å; R769-V775 HydrophobicContact CB-CG1 4.44Å; R769-V775 HydrophobicContact CG-CG1 3.66Å
770	I	57.9	Low	71.3	Confident	44 Å²	44	50.3 Å²	50.3	23%	0.226	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	103.7	165	-55.1	173.1	0	0	0	106.8	Y768 G772 R773 F774 L776	Y768-I770 HydrophobicContact CD1-CG1 4.03Å; Y768-I770 HydrophobicContact CE1-CD1 3.87Å; Y768-I770 HydrophobicContact CE1-CG1 3.32Å; I770-G772 PolarHBondContact O-N 2.85Å; I770-R773 HydrophobicContact CB-CB 4.35Å; I770-R773 HydrophobicContact CG2-CB 4.04Å; I770-R773 HydrophobicContact CG2-CG 4.38Å; I770-R773 PolarHBondContact O-N 3.37Å; I770-F774 PolarHBondContact N-O 3.42Å; I770-F774 PolarHBondContact O-N 3.26Å; I770-L776 HydrophobicContact CD1-CD1 4Å
771	E	49.8	Very low	73	Confident	69 Å²	69	47.7 Å²	47.7	32%	0.322	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	138.1	-174.4	-83.1	-170.5	-116.3	0	0	113.2	S187 A189 R773	S187-E771 VanDerWaalsContact CB-CB 3.47Å; S187-E771 WeakPolarHBondContact CB-OE1 3.43Å; S187-E771 WeakPolarHBondContact CB-OE2 3.46Å; S187-E771 VanDerWaalsContact OG-CB 3.29Å; S187-E771 WeakPolarHBondContact OG-CB 3.3Å; S187-E771 WeakPolarHBondContact OG-CG 3.18Å; S187-E771 PolarHBondContact OG-OE1 2.74Å; A189-E771 VanDerWaalsContact CB-OE1 3.31Å; A189-E771 WeakPolarHBondContact CB-OE1 3.4Å; A189-E771 PolarHBondContact N-OE1 2.67Å; E771-R773 PolarHBondContact O-N 2.83Å
772	G	43.2	Very low	74.8	Confident	61 Å²	61	43.6 Å²	43.6	63%	0.629	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	-3.3	-174.8	0	0	0	0	0	114.7	I770	I770-G772 PolarHBondContact O-N 2.85Å
773	R	50.9	Low	76.2	Confident	121 Å²	121	39.8 Å²	39.8	46%	0.457	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-86.2	-175.3	-62.4	-172.3	-177.8	156.7	5.3	113.5	L32 I770 E771	L32-R773 VanDerWaalsContact CD1-NH1 3.33Å; I770-R773 HydrophobicContact CB-CB 4.35Å; I770-R773 HydrophobicContact CG2-CB 4.04Å; I770-R773 HydrophobicContact CG2-CG 4.38Å; I770-R773 PolarHBondContact O-N 3.37Å; E771-R773 PolarHBondContact O-N 2.83Å
774	F	57.8	Low	76.9	Confident	52 Å²	52	39.4 Å²	39.4	23%	0.228	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.8	-166.3	-53.4	-68	0	0	0	112.3	Y570 I770 L776	Y570-F774 HydrophobicContact CD1-CZ 4Å; I770-F774 PolarHBondContact N-O 3.42Å; I770-F774 PolarHBondContact O-N 3.26Å; F774-L776 HydrophobicContact CB-CD2 4.46Å
775	V	70	Confident	77.7	Confident	27 Å²	27	35.1 Å²	35.1	16%	0.164	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.2	172.3	-118.8	0	0	0	0	108.4	R769	R769-V775 HydrophobicContact CB-CG1 4.44Å; R769-V775 HydrophobicContact CG-CG1 3.66Å
776	L	80.8	Confident	78.2	Confident	24 Å²	24	32 Å²	32	13%	0.126	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.6	-170.4	-65.9	-178.7	0	0	0	112	A572 Y767 Y768 I770 F774 I778 M781	A572-L776 HydrophobicContact CB-CD2 3.72Å; Y767-L776 CarbonylContact C-O 3.56Å; Y767-L776 WeakPolarHBondContact CA-O 3.36Å; Y768-L776 PolarHBondContact N-O 2.94Å; Y768-L776 PolarHBondContact O-N 3.44Å; I770-L776 HydrophobicContact CD1-CD1 4Å; F774-L776 HydrophobicContact CB-CD2 4.46Å; L776-I778 HydrophobicContact CB-CG2 3.74Å; L776-I778 PolarHBondContact O-N 2.95Å; L776-M781 HydrophobicContact CB-SD 3.9Å; L776-M781 HydrophobicContact CD2-CE 4.18Å; L776-M781 HydrophobicContact CD2-SD 4.34Å
777	P	90.4	Very high	78.3	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.032	17%	0.168	C	C	.	.			trans	-78.2	55.6	176	34.7	-37.1	0	0	0	111.5	D737 Y767 R779 W780 M781	D737-P777 HydrophobicContact CB-CG 4.33Å; D737-P777 WeakPolarHBondContact OD1-CB 3.36Å; D737-P777 WeakPolarHBondContact OD1-CG 3.43Å; Y767-P777 HydrophobicContact CD1-CB 4.09Å; Y767-P777 HydrophobicContact CE1-CB 4.09Å; P777-R779 PolarHBondContact O-N 2.8Å; P777-W780 HydrophobicContact CB-CE3 4.4Å; P777-W780 PolarHBondContact O-N 2.89Å; P777-M781 HydrophobicContact CG-CG 4.14Å; P777-M781 HydrophobicContact CG-SD 4.18Å; P777-M781 WeakPolarHBondContact O-CG 2.97Å; P777-M781 PolarHBondContact O-N 2.81Å
778	I	91.5	Very high	78.4	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.015	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-25.9	-165.6	59.8	167	0	0	0	115	Y768 L776 W780 M781 V786 D821 V824 I825	Y768-I778 HydrophobicContact CD1-CD1 4.35Å; Y768-I778 HydrophobicContact CD1-CG2 3.99Å; Y768-I778 HydrophobicContact CG-CD1 3.94Å; Y768-I778 HydrophobicContact CG-CG1 4.49Å; Y768-I778 HydrophobicContact CG-CG2 4.36Å; L776-I778 HydrophobicContact CB-CG2 3.74Å; L776-I778 PolarHBondContact O-N 2.95Å; I778-W780 VanDerWaalsContact C-N 3.29Å; I778-W780 PolarHBondContact O-N 2.93Å; I778-M781 HydrophobicContact CG2-SD 4.2Å; I778-M781 PolarHBondContact O-N 2.77Å; I778-V786 HydrophobicContact CG2-CG2 4.26Å; I778-D821 HydrophobicContact CD1-CB 3.76Å; I778-D821 WeakPolarHBondContact CD1-O 3.29Å; I778-V824 HydrophobicContact CD1-CB 4.2Å; I778-V824 HydrophobicContact CD1-CG1 4.14Å; I778-V824 HydrophobicContact CG1-CG1 4.25Å; I778-I825 HydrophobicContact CD1-CD1 4.35Å; I778-I825 HydrophobicContact CD1-CG1 4.08Å
779	R	95.6	Very high	78.3	Confident	11 Å²	11	36 Å²	36	4%	0.042	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.4	179.2	-68.3	166	-176.5	-82.8	-4.2	113.7	P777 Q814 P815 F816 C819 D821 V824	P777-R779 PolarHBondContact O-N 2.8Å; R779-Q814 VanDerWaalsContact CD-CD 3.49Å; R779-P815 HydrophobicContact CB-CB 4.29Å; R779-P815 WeakPolarHBondContact CD-O 3.49Å; R779-P815 PolarHBondContact NH1-O 2.9Å; R779-F816 PolarHBondContact NH1-O 3.37Å; R779-C819 PolarHBondContact NH1-O 2.86Å; R779-C819 PolarHBondContact NH2-O 2.73Å; R779-D821 IonicContact CZ-OD1 3.76Å; R779-D821 IonicContact NE-OD1 2.67Å; R779-D821 PolarHBondContact NE-OD1 3.16Å; R779-D821 IonicContact NH2-OD1 3.98Å; R779-D821 PolarHBondContact NH2-OD1 2.03Å; R779-V824 HydrophobicContact CG-CG1 4.17Å; R779-V824 HydrophobicContact CG-CG2 4.14Å
780	W	96.5	Very high	79.1	Confident	3 Å²	3	34.8 Å²	34.8	1%	0.011	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-12.3	173.5	-71.5	-103	0	0	0	113	L738 A739 R741 D766 P777 I778 W798 A799 V802 E806 Q814 P815	L738-W780 VanDerWaalsContact O-CD1 3.22Å; A739-W780 HydrophobicContact CB-CD2 4.22Å; A739-W780 HydrophobicContact CB-CG 4.25Å; A739-W780 HydrophobicContact CB-CZ2 4.27Å; R741-W780 VanDerWaalsContact NH1-CZ2 3.28Å; R741-W780 VanDerWaalsContact NH1-CZ3 3.26Å; D766-W780 HydrophobicContact CB-CH2 3.99Å; D766-W780 HydrophobicContact CB-CZ3 3.73Å; D766-W780 VanDerWaalsContact CG-CH2 3.48Å; P777-W780 HydrophobicContact CB-CE3 4.4Å; P777-W780 PolarHBondContact O-N 2.89Å; I778-W780 VanDerWaalsContact C-N 3.29Å; I778-W780 PolarHBondContact O-N 2.93Å; W780-W798 VanDerWaalsContact O-CD1 3.26Å; W780-A799 HydrophobicContact CB-CB 4.44Å; W780-A799 WeakPolarHBondContact O-CA 3.08Å; W780-A799 WeakPolarHBondContact O-CB 3.38Å; W780-V802 VanDerWaalsContact CD1-CG1 3.49Å; W780-V802 HydrophobicContact CD2-CG1 4.32Å; W780-V802 HydrophobicContact CG-CB 4.34Å; W780-V802 HydrophobicContact CG-CG1 3.91Å; W780-E806 HydrophobicContact CZ2-CG 4.39Å; W780-E806 PolarHBondContact NE1-OE2 2.9Å; W780-Q814 HydrophobicContact CH2-CG 4.31Å; W780-P815 HydrophobicContact CD2-CG 4.48Å; W780-P815 HydrophobicContact CH2-CG 4.04Å; W780-P815 HydrophobicContact CZ2-CG 3.66Å
781	M	94.6	Very high	80.4	Confident	7 Å²	7	34.6 Å²	34.6	3%	0.034	18%	0.179	C	C	.	.	S	Bend	trans	-80	145.3	-174.2	-70.4	171.3	70.7	0	0	112.2	L776 P777 I778 C785 V786 F791 W798	L776-M781 HydrophobicContact CB-SD 3.9Å; L776-M781 HydrophobicContact CD2-CE 4.18Å; L776-M781 HydrophobicContact CD2-SD 4.34Å; P777-M781 HydrophobicContact CG-CG 4.14Å; P777-M781 HydrophobicContact CG-SD 4.18Å; P777-M781 WeakPolarHBondContact O-CG 2.97Å; P777-M781 PolarHBondContact O-N 2.81Å; I778-M781 HydrophobicContact CG2-SD 4.2Å; I778-M781 PolarHBondContact O-N 2.77Å; M781-C785 HydrophobicContact CB-CB 4.13Å; M781-C785 HydrophobicContact CE-CB 3.44Å; M781-C785 VanDerWaalsContact CE-CB 3.44Å; M781-C785 HydrophobicContact CG-CB 4.49Å; M781-V786 HydrophobicContact CB-CG2 3.78Å; M781-V786 HydrophobicContact CE-CG2 3.78Å; M781-V786 HydrophobicContact SD-CG2 4.11Å; M781-F791 HydrophobicContact CE-CE1 4.02Å; M781-F791 HydrophobicContact CE-CZ 3.84Å; M781-W798 PolarHBondContact O-NE1 3.03Å
782	A	95.3	Very high	82.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.			trans	-70.6	156.2	168.1	0	0	0	0	0	111	E784 C785 V786 T795 W798	A782-E784 VanDerWaalsContact CB-OE2 3.27Å; A782-E784 WeakPolarHBondContact CB-OE2 3.41Å; A782-E784 PolarHBondContact O-N 3.04Å; A782-C785 WeakPolarHBondContact O-CB 3.48Å; A782-C785 PolarHBondContact O-N 2.87Å; A782-V786 PolarHBondContact O-N 3.25Å; A782-T795 HydrophobicContact CB-CG2 4.06Å; A782-W798 HydrophobicContact CB-CB 3.92Å; A782-W798 HydrophobicContact CB-CD2 3.7Å; A782-W798 HydrophobicContact CB-CE3 3.84Å; A782-W798 HydrophobicContact CB-CG 3.76Å; A782-W798 HydrophobicContact CB-CZ3 4.46Å
783	W	92.3	Very high	84.8	Confident	28 Å²	28	30.9 Å²	30.9	11%	0.106	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-37.1	-176.2	71.8	-91.8	0	0	0	112.1	C785 V786 L787 L788 L828 M831 Y832 K861	W783-C785 VanDerWaalsContact C-N 3.3Å; W783-C785 PolarHBondContact O-N 3.32Å; W783-V786 PolarHBondContact O-N 3.44Å; W783-L787 HydrophobicContact CE3-CD1 4.19Å; W783-L787 WeakPolarHBondContact O-CB 3.26Å; W783-L787 WeakPolarHBondContact O-CG 3.1Å; W783-L787 PolarHBondContact O-N 2.82Å; W783-L788 HydrophobicContact CH2-CD1 3.78Å; W783-L788 HydrophobicContact CZ3-CD1 3.57Å; W783-L788 HydrophobicContact CZ3-CG 4Å; W783-L828 HydrophobicContact CB-CB 4.07Å; W783-L828 HydrophobicContact CB-CD2 4.03Å; W783-M831 HydrophobicContact CB-CB 4.39Å; W783-M831 HydrophobicContact CB-SD 4.47Å; W783-M831 HydrophobicContact CG-CB 4.42Å; W783-M831 HydrophobicContact CG-CG 4.43Å; W783-M831 HydrophobicContact CG-SD 4.07Å; W783-Y832 AromaticContact CE3-CD2 3.87Å; W783-Y832 HydrophobicContact CE3-CD2 3.87Å; W783-Y832 HydrophobicContact CE3-CG 4.25Å; W783-Y832 AromaticContact CH2-CD2 3.49Å; W783-Y832 HydrophobicContact CH2-CD2 3.49Å; W783-Y832 VanDerWaalsContact CH2-CD2 3.49Å; W783-Y832 AromaticContact CH2-CE2 3.86Å; W783-Y832 HydrophobicContact CH2-CE2 3.86Å; W783-Y832 HydrophobicContact CZ2-CD2 4.38Å; W783-Y832 AromaticContact CZ3-CD2 3.18Å; W783-Y832 HydrophobicContact CZ3-CD2 3.18Å; W783-Y832 AromaticContact CZ3-CE2 3.74Å; W783-Y832 HydrophobicContact CZ3-CE2 3.74Å; W783-Y832 AromaticContact CZ3-CG 3.95Å; W783-Y832 HydrophobicContact CZ3-CG 3.95Å; W783-K861 PolarHBondContact NE1-O 2.88Å
784	E	91.4	Very high	87.1	Confident	6 Å²	6	26.9 Å²	26.9	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-71.2	-23.2	179.4	68.6	-89.6	-149.8	0	0	113.2	A782 L788 G789 K790 T795 R866	A782-E784 VanDerWaalsContact CB-OE2 3.27Å; A782-E784 WeakPolarHBondContact CB-OE2 3.41Å; A782-E784 PolarHBondContact O-N 3.04Å; E784-L788 HydrophobicContact CB-CD1 4.17Å; E784-L788 CarbonylContact O-C 3.54Å; E784-L788 WeakPolarHBondContact O-CA 3.47Å; E784-L788 VanDerWaalsContact O-CB 3.31Å; E784-L788 WeakPolarHBondContact O-CB 3.27Å; E784-L788 PolarHBondContact O-N 3.1Å; E784-G789 PolarHBondContact O-N 3.06Å; E784-G789 VanDerWaalsContact O-N 3.11Å; E784-K790 HydrophobicContact CB-CB 4.24Å; E784-K790 HydrophobicContact CG-CB 4.12Å; E784-K790 HydrophobicContact CG-CD 4.28Å; E784-K790 PolarHBondContact O-N 2.84Å; E784-T795 HydrophobicContact CG-CG2 3.96Å; E784-T795 WeakPolarHBondContact OE1-CG2 3.29Å; E784-R866 VanDerWaalsContact CD-NH2 3.34Å; E784-R866 IonicContact OE1-CZ 3.81Å; E784-R866 VanDerWaalsContact OE1-CZ 3.23Å; E784-R866 IonicContact OE1-NH1 2.75Å; E784-R866 PolarHBondContact OE1-NH1 2.7Å; E784-R866 IonicContact OE1-NH2 2.68Å; E784-R866 PolarHBondContact OE1-NH2 2.78Å; E784-R866 IonicContact OE2-CZ 2.74Å; E784-R866 IonicContact OE2-NH1 3.92Å; E784-R866 IonicContact OE2-NH2 3.69Å; E784-R866 PolarHBondContact OE2-NH2 3.03Å
785	C	91.1	Very high	89	Confident	5 Å²	5	24.6 Å²	24.6	3%	0.034	13%	0.126	C	C	.	.	H	α-helix	trans	-68.6	-43.2	172.6	-52.8	0	0	0	0	110.8	M781 A782 W783 G789 K790 F791 T795	M781-C785 HydrophobicContact CB-CB 4.13Å; M781-C785 HydrophobicContact CE-CB 3.44Å; M781-C785 VanDerWaalsContact CE-CB 3.44Å; M781-C785 HydrophobicContact CG-CB 4.49Å; A782-C785 WeakPolarHBondContact O-CB 3.48Å; A782-C785 PolarHBondContact O-N 2.87Å; W783-C785 VanDerWaalsContact C-N 3.3Å; W783-C785 PolarHBondContact O-N 3.32Å; C785-G789 VanDerWaalsContact O-CA 3.31Å; C785-G789 WeakPolarHBondContact O-CA 3.39Å; C785-G789 PolarHBondContact O-N 2.9Å; C785-K790 VanDerWaalsContact CA-O 3.3Å; C785-K790 WeakPolarHBondContact CA-O 3.4Å; C785-K790 PolarHBondContact N-O 3.13Å; C785-K790 PolarHBondContact SG-O 2.9Å; C785-F791 HydrophobicContact CB-CD1 4.34Å; C785-F791 HydrophobicContact CB-CE1 3.99Å; C785-F791 HydrophobicContact CB-CZ 4.21Å; C785-T795 WeakPolarHBondContact SG-CB 3.22Å; C785-T795 WeakPolarHBondContact SG-CG2 3.37Å
786	V	85.1	Confident	90.2	Very high	28 Å²	28	23.4 Å²	23.4	17%	0.17	12%	0.119	C	C	.	.	H	α-helix	trans	-80.5	-39.5	-175.2	-179.9	0	0	0	0	111.6	I778 M781 A782 W783 I825 L828	I778-V786 HydrophobicContact CG2-CG2 4.26Å; M781-V786 HydrophobicContact CB-CG2 3.78Å; M781-V786 HydrophobicContact CE-CG2 3.78Å; M781-V786 HydrophobicContact SD-CG2 4.11Å; A782-V786 PolarHBondContact O-N 3.25Å; W783-V786 PolarHBondContact O-N 3.44Å; V786-I825 HydrophobicContact CG1-CG1 4.36Å; V786-L828 HydrophobicContact CB-CD1 3.84Å; V786-L828 HydrophobicContact CG1-CD1 4.16Å; V786-L828 HydrophobicContact CG2-CD1 3.55Å
787	L	82.6	Confident	91.1	Very high	54 Å²	54	22.3 Å²	22.3	28%	0.283	11%	0.113	S	C	.	.	H	α-helix	trans	-94.1	-27.6	-174.7	-56.7	-176.8	0	0	0	114.2	W783 Q829 Y832	W783-L787 HydrophobicContact CE3-CD1 4.19Å; W783-L787 WeakPolarHBondContact O-CB 3.26Å; W783-L787 WeakPolarHBondContact O-CG 3.1Å; W783-L787 PolarHBondContact O-N 2.82Å; L787-Q829 HydrophobicContact CD1-CB 4.47Å; L787-Q829 HydrophobicContact CD1-CG 4.07Å; L787-Q829 HydrophobicContact CD2-CG 3.72Å; L787-Y832 HydrophobicContact CD1-CG 4.48Å
788	L	83.3	Confident	91.5	Very high	90 Å²	90	22.6 Å²	22.6	47%	0.471	11%	0.114	S	C	.	.	H	α-helix	trans	-121.5	-2.2	-175.4	-51.6	178.3	0	0	0	113.4	W783 E784 K790	W783-L788 HydrophobicContact CH2-CD1 3.78Å; W783-L788 HydrophobicContact CZ3-CD1 3.57Å; W783-L788 HydrophobicContact CZ3-CG 4Å; E784-L788 HydrophobicContact CB-CD1 4.17Å; E784-L788 CarbonylContact O-C 3.54Å; E784-L788 WeakPolarHBondContact O-CA 3.47Å; E784-L788 VanDerWaalsContact O-CB 3.31Å; E784-L788 WeakPolarHBondContact O-CB 3.27Å; E784-L788 PolarHBondContact O-N 3.1Å; L788-K790 HydrophobicContact CB-CB 4.46Å; L788-K790 PolarHBondContact O-N 3.26Å
789	G	76.5	Confident	91.8	Very high	5 Å²	5	22.7 Å²	22.7	5%	0.052	12%	0.115	C	C	.	.			trans	64.4	16.1	-174.6	0	0	0	0	0	114.4	E784 C785 F791	E784-G789 PolarHBondContact O-N 3.06Å; E784-G789 VanDerWaalsContact O-N 3.11Å; C785-G789 VanDerWaalsContact O-CA 3.31Å; C785-G789 WeakPolarHBondContact O-CA 3.39Å; C785-G789 PolarHBondContact O-N 2.9Å; G789-F791 WeakPolarHBondContact O-CD2 3.21Å
790	K	84.4	Confident	91.9	Very high	87 Å²	87	22.2 Å²	22.2	38%	0.378	11%	0.113	S	C	.	.			trans	-87.3	122.8	-174.5	-169.9	-174	-178.4	-161.5	0	110.6	E784 C785 L788 E863	E784-K790 HydrophobicContact CB-CB 4.24Å; E784-K790 HydrophobicContact CG-CB 4.12Å; E784-K790 HydrophobicContact CG-CD 4.28Å; E784-K790 PolarHBondContact O-N 2.84Å; C785-K790 VanDerWaalsContact CA-O 3.3Å; C785-K790 WeakPolarHBondContact CA-O 3.4Å; C785-K790 PolarHBondContact N-O 3.13Å; C785-K790 PolarHBondContact SG-O 2.9Å; L788-K790 HydrophobicContact CB-CB 4.46Å; L788-K790 PolarHBondContact O-N 3.26Å; K790-E863 WeakPolarHBondContact CE-OE2 3.47Å; K790-E863 IonicContact NZ-OE1 3.77Å; K790-E863 PolarHBondContact NZ-OE1 2.83Å; K790-E863 IonicContact NZ-OE2 2.7Å; K790-E863 PolarHBondContact NZ-OE2 2.7Å
791	F	86.3	Confident	92	Very high	40 Å²	40	22.1 Å²	22.1	18%	0.175	11%	0.113	C	C	.	.			trans	-118.2	135.4	174.1	-66.2	-90.5	0	0	0	110.3	A572 V734 R736 M781 C785 G789	A572-F791 HydrophobicContact CB-CZ 4.4Å; V734-F791 HydrophobicContact CG1-CB 4.33Å; R736-F791 HydrophobicContact CB-CD1 4.05Å; R736-F791 HydrophobicContact CB-CE1 4.17Å; R736-F791 HydrophobicContact CG-CB 4.43Å; R736-F791 HydrophobicContact CG-CD1 3.74Å; R736-F791 HydrophobicContact CG-CE1 4.29Å; R736-F791 HydrophobicContact CG-CG 4.25Å; M781-F791 HydrophobicContact CE-CE1 4.02Å; M781-F791 HydrophobicContact CE-CZ 3.84Å; C785-F791 HydrophobicContact CB-CD1 4.34Å; C785-F791 HydrophobicContact CB-CE1 3.99Å; C785-F791 HydrophobicContact CB-CZ 4.21Å; G789-F791 WeakPolarHBondContact O-CD2 3.21Å
792	S	90.9	Very high	92.2	Very high	24 Å²	24	21.8 Å²	21.8	17%	0.168	11%	0.111	C	C	.	.			trans	-154.2	172.1	179.5	75	0	0	0	0	111.2	V734 K794 T795 D796	V734-S792 WeakPolarHBondContact CG1-O 3.29Å; S792-K794 PolarHBondContact O-N 3.25Å; S792-K794 PolarHBondContact OG-N 2.61Å; S792-T795 PolarHBondContact N-OG1 3.33Å; S792-T795 PolarHBondContact O-N 2.62Å; S792-T795 PolarHBondContact O-OG1 3.31Å; S792-T795 PolarHBondContact OG-N 3.04Å; S792-D796 PolarHBondContact O-N 3.35Å
793	T	94.3	Very high	92.3	Very high	28 Å²	28	21.8 Å²	21.8	17%	0.172	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-27.1	173.1	67.4	0	0	0	0	111.6	E729 V734 T795 D796 V797	E729-T793 HydrophobicContact CB-CG2 4.18Å; E729-T793 HydrophobicContact CG-CG2 4.07Å; E729-T793 WeakPolarHBondContact OE1-CB 3.36Å; E729-T793 PolarHBondContact OE1-OG1 2.82Å; V734-T793 HydrophobicContact CG2-CG2 4.35Å; T793-T795 VanDerWaalsContact C-N 3.32Å; T793-T795 PolarHBondContact O-N 3.27Å; T793-D796 WeakPolarHBondContact O-CB 3.43Å; T793-D796 PolarHBondContact O-N 3.33Å; T793-V797 WeakPolarHBondContact O-CG2 3.3Å; T793-V797 PolarHBondContact O-N 2.62Å
794	K	97.9	Very high	92.6	Very high	37 Å²	37	20.6 Å²	20.6	16%	0.161	11%	0.107	C	C	.	.	H	α-helix	trans	-72.5	-19.3	172.7	-60.7	-54	-161.2	85	0	113.8	S792 V797 E863 T864 R866	S792-K794 PolarHBondContact O-N 3.25Å; S792-K794 PolarHBondContact OG-N 2.61Å; K794-V797 HydrophobicContact CD-CG2 4.48Å; K794-E863 HydrophobicContact CB-CB 3.92Å; K794-E863 HydrophobicContact CG-CB 4.32Å; K794-E863 WeakPolarHBondContact CG-O 3.15Å; K794-E863 PolarHBondContact NZ-O 3.26Å; K794-T864 PolarHBondContact NZ-O 2.79Å; K794-R866 HydrophobicContact CD-CB 4.43Å; K794-R866 PolarHBondContact NZ-O 2.77Å; K794-R866 VanDerWaalsContact O-CD 3.31Å; K794-R866 WeakPolarHBondContact O-CD 3.4Å; K794-R866 PolarHBondContact O-NH1 3.18Å
795	T	97.1	Very high	92.9	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-80.9	-31.1	168.8	65.2	0	0	0	0	111.5	A782 E784 C785 S792 T793 V797 W798 A799	A782-T795 HydrophobicContact CB-CG2 4.06Å; E784-T795 HydrophobicContact CG-CG2 3.96Å; E784-T795 WeakPolarHBondContact OE1-CG2 3.29Å; C785-T795 WeakPolarHBondContact SG-CB 3.22Å; C785-T795 WeakPolarHBondContact SG-CG2 3.37Å; S792-T795 PolarHBondContact N-OG1 3.33Å; S792-T795 PolarHBondContact O-N 2.62Å; S792-T795 PolarHBondContact O-OG1 3.31Å; S792-T795 PolarHBondContact OG-N 3.04Å; T793-T795 VanDerWaalsContact C-N 3.32Å; T793-T795 PolarHBondContact O-N 3.27Å; T795-V797 VanDerWaalsContact C-N 3.34Å; T795-W798 WeakPolarHBondContact O-CB 3.34Å; T795-W798 PolarHBondContact O-N 2.9Å; T795-A799 PolarHBondContact O-N 3.48Å
796	D	96.9	Very high	93.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.011	11%	0.105	C	C	.	.	H	α-helix	trans	-68.5	-32.6	169.4	-68.9	-25.2	0	0	0	112.2	M725 V734 H735 R736 S792 T793 W798 A799 F800 F869	M725-D796 HydrophobicContact CE-CB 3.61Å; V734-D796 VanDerWaalsContact CA-OD2 3.27Å; V734-D796 WeakPolarHBondContact CA-OD2 3.06Å; V734-D796 WeakPolarHBondContact CG1-OD2 3.44Å; H735-D796 PolarHBondContact N-OD1 3.49Å; H735-D796 PolarHBondContact N-OD2 2.94Å; R736-D796 PolarHBondContact N-OD1 2.83Å; S792-D796 PolarHBondContact O-N 3.35Å; T793-D796 WeakPolarHBondContact O-CB 3.43Å; T793-D796 PolarHBondContact O-N 3.33Å; D796-W798 VanDerWaalsContact C-N 3.3Å; D796-W798 PolarHBondContact O-N 3.35Å; D796-A799 CarbonylContact O-C 3.59Å; D796-A799 PolarHBondContact O-N 2.74Å; D796-F800 WeakPolarHBondContact O-CB 3.25Å; D796-F800 PolarHBondContact O-N 2.73Å; D796-F869 HydrophobicContact CB-CE2 4.08Å; D796-F869 HydrophobicContact CB-CZ 4.18Å
797	V	98.6	Very high	93.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-41.7	172.1	165.5	0	0	0	0	111.3	T793 K794 T795 F800 G801 C858 R866 P867 F869 I872	T793-V797 WeakPolarHBondContact O-CG2 3.3Å; T793-V797 PolarHBondContact O-N 2.62Å; K794-V797 HydrophobicContact CD-CG2 4.48Å; T795-V797 VanDerWaalsContact C-N 3.34Å; V797-F800 WeakPolarHBondContact O-CB 3.16Å; V797-F800 PolarHBondContact O-N 2.89Å; V797-G801 PolarHBondContact O-N 2.9Å; V797-C858 HydrophobicContact CG1-CB 4.01Å; V797-C858 WeakPolarHBondContact O-CB 3.19Å; V797-R866 HydrophobicContact CG1-CB 3.98Å; V797-P867 HydrophobicContact CG1-CG 4.3Å; V797-P867 WeakPolarHBondContact CG2-O 3.43Å; V797-F869 HydrophobicContact CB-CE2 4.48Å; V797-F869 HydrophobicContact CB-CZ 4.42Å; V797-F869 HydrophobicContact CG2-CD2 3.85Å; V797-F869 HydrophobicContact CG2-CE1 4.38Å; V797-F869 HydrophobicContact CG2-CE2 3.52Å; V797-F869 HydrophobicContact CG2-CG 4.42Å; V797-F869 HydrophobicContact CG2-CZ 3.82Å; V797-I872 HydrophobicContact CG1-CD1 4.05Å; V797-I872 HydrophobicContact CG2-CD1 4.26Å
798	W	98.4	Very high	94.6	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.045	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-48.6	173.3	176.6	-65.2	0	0	0	111.5	W780 M781 A782 T795 D796 F800 G801 V802 L828 M831 C858 W859	W780-W798 VanDerWaalsContact O-CD1 3.26Å; M781-W798 PolarHBondContact O-NE1 3.03Å; A782-W798 HydrophobicContact CB-CB 3.92Å; A782-W798 HydrophobicContact CB-CD2 3.7Å; A782-W798 HydrophobicContact CB-CE3 3.84Å; A782-W798 HydrophobicContact CB-CG 3.76Å; A782-W798 HydrophobicContact CB-CZ3 4.46Å; T795-W798 WeakPolarHBondContact O-CB 3.34Å; T795-W798 PolarHBondContact O-N 2.9Å; D796-W798 VanDerWaalsContact C-N 3.3Å; D796-W798 PolarHBondContact O-N 3.35Å; W798-F800 PolarHBondContact O-N 3.15Å; W798-G801 WeakPolarHBondContact O-CA 3.09Å; W798-G801 PolarHBondContact O-N 2.98Å; W798-V802 PolarHBondContact O-N 2.68Å; W798-V802 VanDerWaalsContact O-N 3.11Å; W798-L828 HydrophobicContact CH2-CD2 4.24Å; W798-L828 HydrophobicContact CZ2-CD2 3.83Å; W798-M831 HydrophobicContact CH2-CE 3.34Å; W798-M831 HydrophobicContact CH2-SD 3.42Å; W798-M831 WeakPolarHBondContact CH2-SD 3.24Å; W798-M831 HydrophobicContact CZ2-CE 4.47Å; W798-M831 HydrophobicContact CZ3-CE 3.6Å; W798-M831 HydrophobicContact CZ3-SD 3.44Å; W798-M831 WeakPolarHBondContact CZ3-SD 3.46Å; W798-C858 WeakPolarHBondContact CA-O 3.4Å; W798-W859 AromaticContact CD2-CD1 3.71Å; W798-W859 HydrophobicContact CD2-CG 4.5Å; W798-W859 AromaticContact CE2-CD1 3.91Å; W798-W859 HydrophobicContact CE3-CB 4.31Å; W798-W859 AromaticContact CG-CD1 3.8Å; W798-W859 HydrophobicContact CZ3-CB 4.39Å; W798-W859 PolarHBondContact O-NE1 3.05Å
799	A	98	Very high	95.2	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.041	7%	0.065	C	C	.	.	H	α-helix	trans	-61.7	-32.6	177.6	0	0	0	0	0	112	L738 W780 T795 D796 V802 T803	L738-A799 HydrophobicContact CB-CB 4.02Å; W780-A799 HydrophobicContact CB-CB 4.44Å; W780-A799 WeakPolarHBondContact O-CA 3.08Å; W780-A799 WeakPolarHBondContact O-CB 3.38Å; T795-A799 PolarHBondContact O-N 3.48Å; D796-A799 CarbonylContact O-C 3.59Å; D796-A799 PolarHBondContact O-N 2.74Å; A799-V802 PolarHBondContact O-N 3.01Å; A799-T803 WeakPolarHBondContact O-CB 3.37Å; A799-T803 PolarHBondContact O-N 2.52Å; A799-T803 PolarHBondContact O-OG1 3.4Å
800	F	98.7	Very high	96.2	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-64.7	-41.3	170.2	173.7	-90.4	0	0	0	111.9	I721 A722 L738 D796 V797 W798 V802 T803 L804 F869 I872 L876	I721-F800 HydrophobicContact CB-CE2 4.16Å; I721-F800 HydrophobicContact CG2-CD2 3.81Å; I721-F800 HydrophobicContact CG2-CE2 3.91Å; A722-F800 HydrophobicContact CB-CE2 3.93Å; A722-F800 HydrophobicContact CB-CZ 4.04Å; L738-F800 HydrophobicContact CD2-CB 3.79Å; L738-F800 HydrophobicContact CD2-CD2 4.44Å; D796-F800 WeakPolarHBondContact O-CB 3.25Å; D796-F800 PolarHBondContact O-N 2.73Å; V797-F800 WeakPolarHBondContact O-CB 3.16Å; V797-F800 PolarHBondContact O-N 2.89Å; W798-F800 PolarHBondContact O-N 3.15Å; F800-V802 VanDerWaalsContact C-N 3.3Å; F800-V802 PolarHBondContact O-N 3.24Å; F800-T803 PolarHBondContact O-N 3.21Å; F800-L804 HydrophobicContact CE1-CB 4.33Å; F800-L804 HydrophobicContact CE1-CD2 4.02Å; F800-L804 HydrophobicContact CZ-CB 4.49Å; F800-L804 HydrophobicContact CZ-CD2 4.37Å; F800-L804 VanDerWaalsContact O-CB 3.32Å; F800-L804 WeakPolarHBondContact O-CB 3.38Å; F800-L804 PolarHBondContact O-N 3.25Å; F800-F869 HydrophobicContact CB-CE1 3.61Å; F800-F869 HydrophobicContact CB-CZ 3.94Å; F800-F869 HydrophobicContact CD1-CE1 4.42Å; F800-F869 AromaticContact CD2-CE1 3.97Å; F800-F869 HydrophobicContact CD2-CE1 3.97Å; F800-F869 AromaticContact CG-CE1 3.73Å; F800-F869 HydrophobicContact CG-CE1 3.73Å; F800-I872 HydrophobicContact CD1-CD1 3.95Å; F800-I872 HydrophobicContact CD1-CG2 4.14Å; F800-I872 HydrophobicContact CE1-CD1 4.28Å; F800-I872 HydrophobicContact CE1-CG2 3.42Å; F800-I872 VanDerWaalsContact CE1-CG2 3.42Å; F800-I872 HydrophobicContact CZ-CG2 3.69Å; F800-L876 HydrophobicContact CZ-CD1 4.12Å
801	G	98.5	Very high	96.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.2	-44	172.5	0	0	0	0	0	112.2	V797 W798 L804 W805 W859	V797-G801 PolarHBondContact O-N 2.9Å; W798-G801 WeakPolarHBondContact O-CA 3.09Å; W798-G801 PolarHBondContact O-N 2.98Å; G801-L804 PolarHBondContact O-N 2.89Å; G801-W805 PolarHBondContact O-N 2.95Å; G801-W859 VanDerWaalsContact C-CZ2 3.47Å; G801-W859 WeakPolarHBondContact O-CZ2 3.41Å
802	V	98.5	Very high	97	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-67.5	-41.3	175.2	-175.7	0	0	0	0	111.7	W780 W798 A799 F800 L804 W805 E806 P815 L841 W859	W780-V802 VanDerWaalsContact CD1-CG1 3.49Å; W780-V802 HydrophobicContact CD2-CG1 4.32Å; W780-V802 HydrophobicContact CG-CB 4.34Å; W780-V802 HydrophobicContact CG-CG1 3.91Å; W798-V802 PolarHBondContact O-N 2.68Å; W798-V802 VanDerWaalsContact O-N 3.11Å; A799-V802 PolarHBondContact O-N 3.01Å; F800-V802 VanDerWaalsContact C-N 3.3Å; F800-V802 PolarHBondContact O-N 3.24Å; V802-L804 VanDerWaalsContact C-N 3.34Å; V802-L804 PolarHBondContact O-N 2.85Å; V802-W805 WeakPolarHBondContact O-CB 3.25Å; V802-W805 PolarHBondContact O-N 3.28Å; V802-E806 PolarHBondContact O-N 3.38Å; V802-P815 HydrophobicContact CG1-CB 3.74Å; V802-P815 HydrophobicContact CG1-CG 3.48Å; V802-P815 VanDerWaalsContact CG1-CG 3.48Å; V802-L841 HydrophobicContact CB-CD1 4.46Å; V802-L841 HydrophobicContact CG1-CD1 4.04Å; V802-L841 HydrophobicContact CG2-CD1 4.15Å; V802-W859 HydrophobicContact CG2-CZ2 4.25Å
803	T	98.4	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-39.5	176.3	-57.4	0	0	0	0	111.8	I721 L738 A739 T740 A799 F800 W805 E806 V807	I721-T803 HydrophobicContact CD1-CG2 3.98Å; L738-T803 PolarHBondContact O-OG1 3.09Å; A739-T803 WeakPolarHBondContact CA-OG1 3.44Å; T740-T803 HydrophobicContact CG2-CG2 3.88Å; A799-T803 WeakPolarHBondContact O-CB 3.37Å; A799-T803 PolarHBondContact O-N 2.52Å; A799-T803 PolarHBondContact O-OG1 3.4Å; F800-T803 PolarHBondContact O-N 3.21Å; T803-W805 VanDerWaalsContact C-N 3.34Å; T803-E806 WeakPolarHBondContact O-CB 3.37Å; T803-E806 PolarHBondContact O-N 2.82Å; T803-V807 WeakPolarHBondContact O-CG2 3.37Å; T803-V807 PolarHBondContact O-N 3.44Å
804	L	98.1	Very high	96.9	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-39.3	175.2	-173.4	59.9	0	0	0	110.8	A718 F800 G801 V802 V807 Y808 L854 M855	A718-L804 HydrophobicContact CB-CD1 3.33Å; F800-L804 HydrophobicContact CE1-CB 4.33Å; F800-L804 HydrophobicContact CE1-CD2 4.02Å; F800-L804 HydrophobicContact CZ-CB 4.49Å; F800-L804 HydrophobicContact CZ-CD2 4.37Å; F800-L804 VanDerWaalsContact O-CB 3.32Å; F800-L804 WeakPolarHBondContact O-CB 3.38Å; F800-L804 PolarHBondContact O-N 3.25Å; G801-L804 PolarHBondContact O-N 2.89Å; V802-L804 VanDerWaalsContact C-N 3.34Å; V802-L804 PolarHBondContact O-N 2.85Å; L804-V807 PolarHBondContact O-N 2.9Å; L804-Y808 HydrophobicContact CD1-CD2 4.06Å; L804-Y808 HydrophobicContact CD1-CE2 3.89Å; L804-Y808 HydrophobicContact CG-CD2 4.41Å; L804-Y808 WeakPolarHBondContact O-CD2 3.39Å; L804-Y808 PolarHBondContact O-N 2.92Å; L804-Y808 VanDerWaalsContact O-N 3.13Å; L804-L854 HydrophobicContact CD2-CD2 4.36Å; L804-M855 HydrophobicContact CB-CE 4.41Å; L804-M855 HydrophobicContact CB-CG 4.37Å; L804-M855 HydrophobicContact CD2-CE 4.33Å; L804-M855 HydrophobicContact CD2-CG 3.94Å; L804-M855 HydrophobicContact CG-CE 3.81Å; L804-M855 HydrophobicContact CG-CG 4.19Å
805	W	98.4	Very high	96.8	Very high	3 Å²	3	12.8 Å²	12.8	1%	0.011	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-45.1	171.9	178.4	91.9	0	0	0	111.8	G801 V802 T803 V807 Y808 M809 E813 P815 L841 R842 P844 M855 W859	G801-W805 PolarHBondContact O-N 2.95Å; V802-W805 WeakPolarHBondContact O-CB 3.25Å; V802-W805 PolarHBondContact O-N 3.28Å; T803-W805 VanDerWaalsContact C-N 3.34Å; W805-V807 VanDerWaalsContact C-N 3.32Å; W805-V807 PolarHBondContact O-N 2.98Å; W805-Y808 PolarHBondContact O-N 3.06Å; W805-M809 HydrophobicContact CD2-CG 3.71Å; W805-M809 VanDerWaalsContact CE2-CG 3.41Å; W805-M809 HydrophobicContact CE3-CG 3.99Å; W805-M809 HydrophobicContact CG-CG 4.38Å; W805-M809 HydrophobicContact CH2-CG 3.82Å; W805-M809 HydrophobicContact CZ2-CG 3.5Å; W805-M809 HydrophobicContact CZ2-SD 4.12Å; W805-M809 HydrophobicContact CZ3-CB 4.49Å; W805-M809 HydrophobicContact CZ3-CG 4.02Å; W805-M809 WeakPolarHBondContact O-CB 3.23Å; W805-M809 WeakPolarHBondContact O-CG 3.34Å; W805-M809 PolarHBondContact O-N 3.1Å; W805-E813 HydrophobicContact CH2-CG 3.66Å; W805-E813 HydrophobicContact CZ2-CG 4.28Å; W805-P815 HydrophobicContact CE3-CB 4.39Å; W805-P815 HydrophobicContact CE3-CG 4.08Å; W805-P815 HydrophobicContact CZ3-CB 4.03Å; W805-P815 HydrophobicContact CZ3-CG 3.77Å; W805-L841 HydrophobicContact CB-CD1 4.3Å; W805-L841 HydrophobicContact CD2-CB 4.26Å; W805-L841 HydrophobicContact CD2-CD1 3.9Å; W805-L841 HydrophobicContact CD2-CD2 4.5Å; W805-L841 HydrophobicContact CD2-CG 4.45Å; W805-L841 HydrophobicContact CE3-CD1 4.16Å; W805-L841 HydrophobicContact CG-CB 4.16Å; W805-L841 HydrophobicContact CG-CD1 3.97Å; W805-L841 HydrophobicContact CH2-CD2 4.34Å; W805-L841 HydrophobicContact CZ2-CD2 4.15Å; W805-R842 PolarHBondContact NE1-O 3.18Å; W805-P844 HydrophobicContact CG-CG 4.45Å; W805-M855 HydrophobicContact CB-CE 4.47Å; W805-M855 HydrophobicContact CB-SD 4Å; W805-W859 HydrophobicContact CB-CH2 4.29Å; W805-W859 HydrophobicContact CB-CZ2 4.34Å
806	E	98.1	Very high	96.6	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.014	7%	0.073	C	C	.	.	H	α-helix	trans	-57	-43.8	174.4	-69.8	-179.1	84	0	0	111.9	N699 T740 W780 V802 T803 Y808 M809 L810 A811 P815	N699-E806 PolarHBondContact ND2-OE1 2.91Å; T740-E806 HydrophobicContact CG2-CB 3.52Å; T740-E806 HydrophobicContact CG2-CG 4.29Å; T740-E806 PolarHBondContact N-OE2 3.03Å; T740-E806 VanDerWaalsContact OG1-CD 3.3Å; T740-E806 PolarHBondContact OG1-OE1 3.02Å; W780-E806 HydrophobicContact CZ2-CG 4.39Å; W780-E806 PolarHBondContact NE1-OE2 2.9Å; V802-E806 PolarHBondContact O-N 3.38Å; T803-E806 WeakPolarHBondContact O-CB 3.37Å; T803-E806 PolarHBondContact O-N 2.82Å; E806-Y808 PolarHBondContact O-N 3.45Å; E806-M809 CarbonylContact O-C 3.58Å; E806-M809 PolarHBondContact O-N 2.89Å; E806-L810 PolarHBondContact O-N 3.15Å; E806-L810 VanDerWaalsContact O-N 3.09Å; E806-A811 PolarHBondContact O-N 3.4Å; E806-P815 HydrophobicContact CG-CG 4.17Å
807	V	98	Very high	96.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-46.9	177.7	170	0	0	0	0	111.2	L698 L702 L714 T740 T803 L804 W805 L810	L698-V807 HydrophobicContact CD2-CG2 4.05Å; L702-V807 HydrophobicContact CD1-CG2 4.25Å; L714-V807 HydrophobicContact CB-CG1 3.98Å; L714-V807 HydrophobicContact CD2-CG1 3.96Å; L714-V807 HydrophobicContact CG-CG1 4.5Å; T740-V807 HydrophobicContact CG2-CG2 3.96Å; T803-V807 WeakPolarHBondContact O-CG2 3.37Å; T803-V807 PolarHBondContact O-N 3.44Å; L804-V807 PolarHBondContact O-N 2.9Å; W805-V807 VanDerWaalsContact C-N 3.32Å; W805-V807 PolarHBondContact O-N 2.98Å; V807-L810 PolarHBondContact O-N 3.06Å; V807-L810 VanDerWaalsContact O-N 3.13Å
808	Y	97.1	Very high	95.4	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-79.3	-15.8	178.9	-81	-83.1	0	0	0	114.4	L714 L804 W805 E806 L810 P844 I846 C847 L851 M855	L714-Y808 HydrophobicContact CB-CE1 4.21Å; L714-Y808 HydrophobicContact CD1-CD1 4.19Å; L714-Y808 HydrophobicContact CD1-CE1 4.16Å; L804-Y808 HydrophobicContact CD1-CD2 4.06Å; L804-Y808 HydrophobicContact CD1-CE2 3.89Å; L804-Y808 HydrophobicContact CG-CD2 4.41Å; L804-Y808 WeakPolarHBondContact O-CD2 3.39Å; L804-Y808 PolarHBondContact O-N 2.92Å; L804-Y808 VanDerWaalsContact O-N 3.13Å; W805-Y808 PolarHBondContact O-N 3.06Å; E806-Y808 PolarHBondContact O-N 3.45Å; Y808-L810 VanDerWaalsContact C-N 3.27Å; Y808-P844 WeakPolarHBondContact O-CB 3.38Å; Y808-I846 HydrophobicContact CD1-CG1 4.35Å; Y808-I846 WeakPolarHBondContact O-CD1 3.06Å; Y808-I846 WeakPolarHBondContact O-CG1 3.32Å; Y808-C847 HydrophobicContact CD1-CB 3.98Å; Y808-C847 HydrophobicContact CG-CB 4.07Å; Y808-L851 HydrophobicContact CE1-CD1 4.42Å; Y808-L851 HydrophobicContact CE2-CD1 4.07Å; Y808-L851 VanDerWaalsContact OH-CD1 3.27Å; Y808-L851 WeakPolarHBondContact OH-CD1 3.41Å; Y808-M855 HydrophobicContact CD2-CE 3.97Å; Y808-M855 HydrophobicContact CG-CE 4.36Å
809	M	96.4	Very high	94.7	Very high	16 Å²	16	23.4 Å²	23.4	8%	0.079	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	0.5	164.4	-73.6	-55	-51.9	0	0	113	W805 E806 A811 S812 E813 P844	W805-M809 HydrophobicContact CD2-CG 3.71Å; W805-M809 VanDerWaalsContact CE2-CG 3.41Å; W805-M809 HydrophobicContact CE3-CG 3.99Å; W805-M809 HydrophobicContact CG-CG 4.38Å; W805-M809 HydrophobicContact CH2-CG 3.82Å; W805-M809 HydrophobicContact CZ2-CG 3.5Å; W805-M809 HydrophobicContact CZ2-SD 4.12Å; W805-M809 HydrophobicContact CZ3-CB 4.49Å; W805-M809 HydrophobicContact CZ3-CG 4.02Å; W805-M809 WeakPolarHBondContact O-CB 3.23Å; W805-M809 WeakPolarHBondContact O-CG 3.34Å; W805-M809 PolarHBondContact O-N 3.1Å; E806-M809 CarbonylContact O-C 3.58Å; E806-M809 PolarHBondContact O-N 2.89Å; M809-A811 PolarHBondContact O-N 3.4Å; M809-A811 VanDerWaalsContact O-N 3.13Å; M809-S812 WeakPolarHBondContact O-CB 3.39Å; M809-S812 PolarHBondContact O-N 2.76Å; M809-S812 PolarHBondContact O-OG 3.47Å; M809-E813 HydrophobicContact CE-CG 3.98Å; M809-P844 HydrophobicContact CG-CB 4.2Å; M809-P844 HydrophobicContact CG-CG 3.88Å; M809-P844 HydrophobicContact SD-CB 3.53Å; M809-P844 VanDerWaalsContact SD-CB 3.53Å; M809-P844 HydrophobicContact SD-CG 3.72Å
810	L	96.5	Very high	94.1	Very high	41 Å²	41	25.6 Å²	25.6	22%	0.215	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	31.8	-171.8	-52.1	178.4	0	0	0	112.7	L702 R703 L714 E806 V807 Y808 S812 I846	L702-L810 CarbonylContact C-O 3.25Å; L702-L810 HydrophobicContact CD2-CD2 4.25Å; R703-L810 PolarHBondContact N-O 2.97Å; L714-L810 HydrophobicContact CD1-CD2 4Å; L714-L810 HydrophobicContact CD2-CD2 3.89Å; E806-L810 PolarHBondContact O-N 3.15Å; E806-L810 VanDerWaalsContact O-N 3.09Å; V807-L810 PolarHBondContact O-N 3.06Å; V807-L810 VanDerWaalsContact O-N 3.13Å; Y808-L810 VanDerWaalsContact C-N 3.27Å; L810-S812 PolarHBondContact O-N 2.8Å; L810-S812 VanDerWaalsContact O-N 3.09Å; L810-I846 HydrophobicContact CD1-CD1 4.31Å; L810-I846 HydrophobicContact CD2-CD1 4Å; L810-I846 HydrophobicContact CG-CD1 4.03Å
811	A	94.9	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	27.9	-171.3	0	0	0	0	0	114	L702 R703 E806 M809	L702-A811 HydrophobicContact CB-CB 4.02Å; L702-A811 HydrophobicContact CD1-CB 4.27Å; R703-A811 HydrophobicContact CG-CB 4.02Å; R703-A811 VanDerWaalsContact CG-O 3.29Å; R703-A811 WeakPolarHBondContact CG-O 3.41Å; R703-A811 PolarHBondContact NE-O 3.26Å; R703-A811 PolarHBondContact NH1-O 2.85Å; R703-A811 PolarHBondContact NH2-O 3.47Å; E806-A811 PolarHBondContact O-N 3.4Å; M809-A811 PolarHBondContact O-N 3.4Å; M809-A811 VanDerWaalsContact O-N 3.13Å
812	S	92.8	Very high	92.6	Very high	71 Å²	71	29 Å²	29	50%	0.497	17%	0.169	S	C	.	.			trans	-67.1	-42.5	-174.9	65.2	0	0	0	0	112.6	R703 M809 L810	R703-S812 PolarHBondContact NH1-O 2.9Å; M809-S812 WeakPolarHBondContact O-CB 3.39Å; M809-S812 PolarHBondContact O-N 2.76Å; M809-S812 PolarHBondContact O-OG 3.47Å; L810-S812 PolarHBondContact O-N 2.8Å; L810-S812 VanDerWaalsContact O-N 3.09Å
813	E	91.3	Very high	91.9	Very high	60 Å²	60	31.2 Å²	31.2	28%	0.28	18%	0.179	S	C	.	.	S	Bend	trans	-120.8	156	179.4	78.1	-161.7	-162.1	0	0	111	W805 M809 A817 R842	W805-E813 HydrophobicContact CH2-CG 3.66Å; W805-E813 HydrophobicContact CZ2-CG 4.28Å; M809-E813 HydrophobicContact CE-CG 3.98Å; E813-A817 HydrophobicContact CB-CB 4.36Å; E813-R842 VanDerWaalsContact CD-NH2 3.28Å; E813-R842 IonicContact OE1-CZ 3.52Å; E813-R842 IonicContact OE1-NE 3.58Å; E813-R842 PolarHBondContact OE1-NE 2.78Å; E813-R842 IonicContact OE1-NH2 2.81Å; E813-R842 PolarHBondContact OE1-NH2 2.84Å; E813-R842 IonicContact OE2-CZ 3.78Å; E813-R842 IonicContact OE2-NE 2.72Å; E813-R842 IonicContact OE2-NH2 2.75Å; E813-R842 PolarHBondContact OE2-NH2 3.49Å
814	Q	93.1	Very high	91.4	Very high	41 Å²	41	31.4 Å²	31.4	19%	0.192	18%	0.18	C	C	.	.			trans	-75	148.1	175.5	-168.5	-175.3	51.1	0	0	109.9	N765 D766 R779 W780 F816 A817	N765-Q814 PolarHBondContact O-NE2 2.8Å; D766-Q814 PolarHBondContact OD1-NE2 3.34Å; R779-Q814 VanDerWaalsContact CD-CD 3.49Å; W780-Q814 HydrophobicContact CH2-CG 4.31Å; Q814-F816 PolarHBondContact O-N 2.74Å; Q814-A817 HydrophobicContact CB-CB 4.24Å; Q814-A817 VanDerWaalsContact O-CB 3.24Å; Q814-A817 WeakPolarHBondContact O-CB 3.24Å; Q814-A817 PolarHBondContact O-N 2.85Å
815	P	96	Very high	90.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	130.4	170.2	-22.8	32.2	0	0	0	111	R779 W780 V802 W805 E806 A817 L841	R779-P815 HydrophobicContact CB-CB 4.29Å; R779-P815 WeakPolarHBondContact CD-O 3.49Å; R779-P815 PolarHBondContact NH1-O 2.9Å; W780-P815 HydrophobicContact CD2-CG 4.48Å; W780-P815 HydrophobicContact CH2-CG 4.04Å; W780-P815 HydrophobicContact CZ2-CG 3.66Å; V802-P815 HydrophobicContact CG1-CB 3.74Å; V802-P815 HydrophobicContact CG1-CG 3.48Å; V802-P815 VanDerWaalsContact CG1-CG 3.48Å; W805-P815 HydrophobicContact CE3-CB 4.39Å; W805-P815 HydrophobicContact CE3-CG 4.08Å; W805-P815 HydrophobicContact CZ3-CB 4.03Å; W805-P815 HydrophobicContact CZ3-CG 3.77Å; E806-P815 HydrophobicContact CG-CG 4.17Å; P815-A817 VanDerWaalsContact C-N 3.31Å; P815-A817 PolarHBondContact O-N 2.94Å; P815-L841 HydrophobicContact CB-CD1 4.15Å; P815-L841 HydrophobicContact CB-CD2 3.99Å
816	F	92.8	Very high	90.2	Very high	26 Å²	26	32.7 Å²	32.7	11%	0.114	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	37.5	-172.5	-49.5	-80.3	0	0	0	114.1	R779 Q814 V818 C819 V824 V839 L841	R779-F816 PolarHBondContact NH1-O 3.37Å; Q814-F816 PolarHBondContact O-N 2.74Å; F816-V818 PolarHBondContact O-N 3.34Å; F816-C819 HydrophobicContact CB-CB 4.13Å; F816-C819 WeakPolarHBondContact O-CA 3.38Å; F816-C819 WeakPolarHBondContact O-CB 3.21Å; F816-C819 PolarHBondContact O-N 2.85Å; F816-C819 VanDerWaalsContact O-O 3.07Å; F816-V824 HydrophobicContact CB-CG2 3.88Å; F816-V824 HydrophobicContact CG-CG2 4.41Å; F816-V839 WeakPolarHBondContact CE1-O 3.38Å; F816-L841 HydrophobicContact CD1-CD2 3.76Å; F816-L841 HydrophobicContact CD1-CG 4.45Å; F816-L841 HydrophobicContact CD2-CD2 3.82Å; F816-L841 HydrophobicContact CD2-CG 4.48Å; F816-L841 HydrophobicContact CE1-CD2 3.76Å; F816-L841 HydrophobicContact CE1-CG 3.94Å; F816-L841 HydrophobicContact CE2-CD1 4.33Å; F816-L841 HydrophobicContact CE2-CD2 3.82Å; F816-L841 HydrophobicContact CE2-CG 3.97Å; F816-L841 HydrophobicContact CG-CD2 3.8Å; F816-L841 HydrophobicContact CZ-CD1 4.4Å; F816-L841 HydrophobicContact CZ-CD2 3.79Å; F816-L841 HydrophobicContact CZ-CG 3.68Å; F816-L841 VanDerWaalsContact N-CD2 3.3Å
817	A	87	Confident	89.6	Confident	57 Å²	57	33.2 Å²	33.2	47%	0.471	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.8	-179.5	0	0	0	0	0	115.7	E813 Q814 P815 C819	E813-A817 HydrophobicContact CB-CB 4.36Å; Q814-A817 HydrophobicContact CB-CB 4.24Å; Q814-A817 VanDerWaalsContact O-CB 3.24Å; Q814-A817 WeakPolarHBondContact O-CB 3.24Å; Q814-A817 PolarHBondContact O-N 2.85Å; P815-A817 VanDerWaalsContact C-N 3.31Å; P815-A817 PolarHBondContact O-N 2.94Å; A817-C819 VanDerWaalsContact C-N 3.32Å
818	V	82.9	Confident	89.2	Confident	137 Å²	137	33.5 Å²	33.5	83%	0.83	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-5.7	173.6	-63.1	0	0	0	0	113.6	F816	F816-V818 PolarHBondContact O-N 3.34Å
819	C	82.6	Confident	88.5	Confident	23 Å²	23	36.2 Å²	36.2	16%	0.155	20%	0.204	C	C	.	.	S	Bend	trans	-115.5	134.5	-179.6	-59.8	0	0	0	0	109.9	R779 F816 A817 Q823 V824	R779-C819 PolarHBondContact NH1-O 2.86Å; R779-C819 PolarHBondContact NH2-O 2.73Å; F816-C819 HydrophobicContact CB-CB 4.13Å; F816-C819 WeakPolarHBondContact O-CA 3.38Å; F816-C819 WeakPolarHBondContact O-CB 3.21Å; F816-C819 PolarHBondContact O-N 2.85Å; F816-C819 VanDerWaalsContact O-O 3.07Å; A817-C819 VanDerWaalsContact C-N 3.32Å; C819-Q823 HydrophobicContact CB-CB 3.83Å; C819-V824 HydrophobicContact CB-CG2 3.97Å
820	N	85.2	Confident	87.9	Confident	51 Å²	51	37.9 Å²	37.9	27%	0.273	21%	0.211	S	C	.	.			trans	-71.9	168.3	164.6	65.2	54.8	0	0	0	110.9	Q822 Q823 V824	N820-Q822 PolarHBondContact O-N 2.79Å; N820-Q822 WeakPolarHBondContact OD1-CB 3.41Å; N820-Q822 PolarHBondContact OD1-N 3.09Å; N820-Q822 VanDerWaalsContact OD1-N 3.13Å; N820-Q823 PolarHBondContact ND2-OE1 2.91Å; N820-Q823 VanDerWaalsContact ND2-OE1 3.1Å; N820-Q823 WeakPolarHBondContact O-CB 3.39Å; N820-Q823 PolarHBondContact O-N 2.95Å; N820-Q823 PolarHBondContact OD1-N 2.84Å; N820-V824 PolarHBondContact O-N 2.76Å
821	D	85.2	Confident	87.3	Confident	50 Å²	50	36.1 Å²	36.1	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-32.9	-174.7	-66.4	-10.4	0	0	0	113.1	Y768 I778 R779 V824 I825	Y768-D821 HydrophobicContact CD2-CB 3.85Å; Y768-D821 HydrophobicContact CG-CB 4.44Å; I778-D821 HydrophobicContact CD1-CB 3.76Å; I778-D821 WeakPolarHBondContact CD1-O 3.29Å; R779-D821 IonicContact CZ-OD1 3.76Å; R779-D821 IonicContact NE-OD1 2.67Å; R779-D821 PolarHBondContact NE-OD1 3.16Å; R779-D821 IonicContact NH2-OD1 3.98Å; R779-D821 PolarHBondContact NH2-OD1 2.03Å; D821-V824 PolarHBondContact O-N 3.15Å; D821-I825 WeakPolarHBondContact O-CG1 3.11Å; D821-I825 PolarHBondContact O-N 2.9Å
822	Q	81	Confident	86.7	Confident	22 Å²	22	39.9 Å²	39.9	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-43.2	175.8	-173.4	63.1	73.4	0	0	111.7	P25 T26 R27 N820 V824 I825 E826	P25-Q822 HydrophobicContact CB-CB 3.9Å; P25-Q822 HydrophobicContact CB-CG 3.39Å; T26-Q822 PolarHBondContact O-NE2 2.69Å; R27-Q822 VanDerWaalsContact C-OE1 3.32Å; N820-Q822 PolarHBondContact O-N 2.79Å; N820-Q822 WeakPolarHBondContact OD1-CB 3.41Å; N820-Q822 PolarHBondContact OD1-N 3.09Å; N820-Q822 VanDerWaalsContact OD1-N 3.13Å; Q822-V824 VanDerWaalsContact C-N 3.27Å; Q822-V824 PolarHBondContact O-N 3.03Å; Q822-I825 WeakPolarHBondContact O-CB 3.38Å; Q822-I825 PolarHBondContact O-N 2.9Å; Q822-I825 VanDerWaalsContact O-N 3.15Å; Q822-E826 WeakPolarHBondContact O-CG 3.21Å; Q822-E826 PolarHBondContact O-N 2.95Å
823	Q	84.9	Confident	86	Confident	48 Å²	48	42.2 Å²	42.2	22%	0.224	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-29.3	175.5	-70.3	171.8	-48.1	0	0	112.4	P25 C819 N820 N827	P25-Q823 HydrophobicContact CG-CG 4.21Å; C819-Q823 HydrophobicContact CB-CB 3.83Å; N820-Q823 PolarHBondContact ND2-OE1 2.91Å; N820-Q823 VanDerWaalsContact ND2-OE1 3.1Å; N820-Q823 WeakPolarHBondContact O-CB 3.39Å; N820-Q823 PolarHBondContact O-N 2.95Å; N820-Q823 PolarHBondContact OD1-N 2.84Å; Q823-N827 WeakPolarHBondContact O-CB 3.23Å; Q823-N827 PolarHBondContact O-N 3.22Å
824	V	88	Confident	84.7	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-45.1	170.4	175.2	0	0	0	0	110.4	I778 R779 F816 C819 N820 D821 Q822 E826 N827 L828	I778-V824 HydrophobicContact CD1-CB 4.2Å; I778-V824 HydrophobicContact CD1-CG1 4.14Å; I778-V824 HydrophobicContact CG1-CG1 4.25Å; R779-V824 HydrophobicContact CG-CG1 4.17Å; R779-V824 HydrophobicContact CG-CG2 4.14Å; F816-V824 HydrophobicContact CB-CG2 3.88Å; F816-V824 HydrophobicContact CG-CG2 4.41Å; C819-V824 HydrophobicContact CB-CG2 3.97Å; N820-V824 PolarHBondContact O-N 2.76Å; D821-V824 PolarHBondContact O-N 3.15Å; Q822-V824 VanDerWaalsContact C-N 3.27Å; Q822-V824 PolarHBondContact O-N 3.03Å; V824-E826 VanDerWaalsContact C-N 3.33Å; V824-E826 PolarHBondContact O-N 2.94Å; V824-N827 WeakPolarHBondContact O-CB 3.35Å; V824-N827 PolarHBondContact O-N 2.9Å; V824-L828 WeakPolarHBondContact O-CG 3.31Å; V824-L828 PolarHBondContact O-N 2.91Å; V824-L828 VanDerWaalsContact O-N 3.15Å
825	I	86	Confident	83.4	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.082	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-41.9	175.1	-66.3	163.6	0	0	0	111	I28 Y768 I778 V786 D821 Q822 L828 Q829	I28-I825 HydrophobicContact CG1-CD1 4.13Å; Y768-I825 HydrophobicContact CD1-CD1 4.4Å; Y768-I825 HydrophobicContact CE1-CD1 4.12Å; I778-I825 HydrophobicContact CD1-CD1 4.35Å; I778-I825 HydrophobicContact CD1-CG1 4.08Å; V786-I825 HydrophobicContact CG1-CG1 4.36Å; D821-I825 WeakPolarHBondContact O-CG1 3.11Å; D821-I825 PolarHBondContact O-N 2.9Å; Q822-I825 WeakPolarHBondContact O-CB 3.38Å; Q822-I825 PolarHBondContact O-N 2.9Å; Q822-I825 VanDerWaalsContact O-N 3.15Å; I825-L828 PolarHBondContact O-N 3.13Å; I825-Q829 WeakPolarHBondContact O-CG 3.46Å; I825-Q829 PolarHBondContact O-N 3.11Å
826	E	83.5	Confident	81.9	Confident	17 Å²	17	51.3 Å²	51.3	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-43.1	174.9	-74.1	-176.6	129.4	0	0	113.4	P25 T26 Q822 V824 L828 Q829 H830	P25-E826 WeakPolarHBondContact CA-OE1 3.35Å; P25-E826 WeakPolarHBondContact CA-OE2 3.09Å; T26-E826 WeakPolarHBondContact CB-OE1 3.46Å; T26-E826 PolarHBondContact N-OE1 3.41Å; T26-E826 WeakPolarHBondContact OG1-CG 3.48Å; T26-E826 PolarHBondContact OG1-OE1 3.33Å; Q822-E826 WeakPolarHBondContact O-CG 3.21Å; Q822-E826 PolarHBondContact O-N 2.95Å; V824-E826 VanDerWaalsContact C-N 3.33Å; V824-E826 PolarHBondContact O-N 2.94Å; E826-L828 PolarHBondContact O-N 2.92Å; E826-Q829 CarbonylContact O-C 3.46Å; E826-Q829 WeakPolarHBondContact O-CA 3.27Å; E826-Q829 WeakPolarHBondContact O-CB 3.49Å; E826-Q829 PolarHBondContact O-N 2.94Å; E826-H830 PolarHBondContact O-CD2 2.92Å; E826-H830 PolarHBondContact O-N 2.59Å
827	N	87	Confident	80.9	Confident	13 Å²	13	55 Å²	55	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-38.2	177.2	-168.8	45.9	0	0	0	111.5	Q823 V824 H830 M831 L838 V839	Q823-N827 WeakPolarHBondContact O-CB 3.23Å; Q823-N827 PolarHBondContact O-N 3.22Å; V824-N827 WeakPolarHBondContact O-CB 3.35Å; V824-N827 PolarHBondContact O-N 2.9Å; N827-H830 PolarHBondContact O-N 2.71Å; N827-M831 PolarHBondContact O-N 2.85Å; N827-M831 VanDerWaalsContact O-N 3.14Å; N827-L838 VanDerWaalsContact O-CD1 3.29Å; N827-L838 WeakPolarHBondContact O-CD1 3.13Å; N827-V839 PolarHBondContact ND2-O 2.87Å; N827-V839 PolarHBondContact OD1-N 3.02Å; N827-V839 PolarHBondContact OD1-O 3.23Å
828	L	88.3	Confident	80.5	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-37.1	172.7	-61.1	174.3	0	0	0	112.1	W783 V786 W798 V824 I825 E826 H830 M831 Y832	W783-L828 HydrophobicContact CB-CB 4.07Å; W783-L828 HydrophobicContact CB-CD2 4.03Å; V786-L828 HydrophobicContact CB-CD1 3.84Å; V786-L828 HydrophobicContact CG1-CD1 4.16Å; V786-L828 HydrophobicContact CG2-CD1 3.55Å; W798-L828 HydrophobicContact CH2-CD2 4.24Å; W798-L828 HydrophobicContact CZ2-CD2 3.83Å; V824-L828 WeakPolarHBondContact O-CG 3.31Å; V824-L828 PolarHBondContact O-N 2.91Å; V824-L828 VanDerWaalsContact O-N 3.15Å; I825-L828 PolarHBondContact O-N 3.13Å; E826-L828 PolarHBondContact O-N 2.92Å; L828-H830 VanDerWaalsContact C-N 3.35Å; L828-M831 PolarHBondContact O-N 2.84Å; L828-Y832 PolarHBondContact O-N 2.56Å
829	Q	83.7	Confident	80.6	Confident	61 Å²	61	50.8 Å²	50.8	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-37.4	171.6	-69	177.3	-0.7	0	0	112.5	L787 I825 E826 M831 Y832 Y833	L787-Q829 HydrophobicContact CD1-CB 4.47Å; L787-Q829 HydrophobicContact CD1-CG 4.07Å; L787-Q829 HydrophobicContact CD2-CG 3.72Å; I825-Q829 WeakPolarHBondContact O-CG 3.46Å; I825-Q829 PolarHBondContact O-N 3.11Å; E826-Q829 CarbonylContact O-C 3.46Å; E826-Q829 WeakPolarHBondContact O-CA 3.27Å; E826-Q829 WeakPolarHBondContact O-CB 3.49Å; E826-Q829 PolarHBondContact O-N 2.94Å; Q829-M831 VanDerWaalsContact C-N 3.34Å; Q829-Y832 PolarHBondContact O-N 3.02Å; Q829-Y833 HydrophobicContact CB-CD2 4.4Å; Q829-Y833 WeakPolarHBondContact O-CD2 3.43Å; Q829-Y833 PolarHBondContact O-N 3.19Å
830	H	83.5	Confident	81.1	Confident	51 Å²	51	54 Å²	54	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-39.1	172.5	-69.1	-38	0	0	0	111.6	E826 N827 L828 Y832 N834 E835 L837	E826-H830 PolarHBondContact O-CD2 2.92Å; E826-H830 PolarHBondContact O-N 2.59Å; N827-H830 PolarHBondContact O-N 2.71Å; L828-H830 VanDerWaalsContact C-N 3.35Å; H830-Y832 VanDerWaalsContact C-N 3.27Å; H830-Y832 PolarHBondContact O-N 2.95Å; H830-N834 CarbonylContact O-C 3.55Å; H830-N834 WeakPolarHBondContact O-CA 3.45Å; H830-N834 PolarHBondContact O-N 3.34Å; H830-E835 PolarHBondContact O-N 3.41Å; H830-L837 HydrophobicContact CB-CB 4.3Å
831	M	84.3	Confident	81.5	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-39.1	173.9	-166	178.6	-85.9	0	0	112.1	W783 W798 N827 L828 Q829 L838 Y840 W859 K861	W783-M831 HydrophobicContact CB-CB 4.39Å; W783-M831 HydrophobicContact CB-SD 4.47Å; W783-M831 HydrophobicContact CG-CB 4.42Å; W783-M831 HydrophobicContact CG-CG 4.43Å; W783-M831 HydrophobicContact CG-SD 4.07Å; W798-M831 HydrophobicContact CH2-CE 3.34Å; W798-M831 HydrophobicContact CH2-SD 3.42Å; W798-M831 WeakPolarHBondContact CH2-SD 3.24Å; W798-M831 HydrophobicContact CZ2-CE 4.47Å; W798-M831 HydrophobicContact CZ3-CE 3.6Å; W798-M831 HydrophobicContact CZ3-SD 3.44Å; W798-M831 WeakPolarHBondContact CZ3-SD 3.46Å; N827-M831 PolarHBondContact O-N 2.85Å; N827-M831 VanDerWaalsContact O-N 3.14Å; L828-M831 PolarHBondContact O-N 2.84Å; Q829-M831 VanDerWaalsContact C-N 3.34Å; M831-L838 HydrophobicContact CB-CD1 3.77Å; M831-L838 HydrophobicContact CB-CD2 4.1Å; M831-L838 HydrophobicContact CE-CD1 4.23Å; M831-L838 HydrophobicContact CE-CD2 3.59Å; M831-L838 HydrophobicContact CE-CG 4.46Å; M831-L838 HydrophobicContact CG-CD1 4.44Å; M831-L838 HydrophobicContact CG-CD2 3.93Å; M831-Y840 HydrophobicContact CE-CE1 3.98Å; M831-W859 VanDerWaalsContact CE-O 3.29Å; M831-W859 WeakPolarHBondContact CE-O 3.44Å; M831-K861 HydrophobicContact CG-CB 4.11Å; M831-K861 HydrophobicContact CG-CD 4.32Å; M831-K861 HydrophobicContact CG-CG 4.08Å; M831-K861 VanDerWaalsContact O-CD 3.32Å; M831-K861 WeakPolarHBondContact O-CD 3.38Å; M831-K861 WeakPolarHBondContact O-CE 3.49Å; M831-K861 PolarHBondContact O-NZ 3.02Å; M831-K861 HydrophobicContact SD-CB 4.08Å; M831-K861 HydrophobicContact SD-CG 4.46Å
832	Y	82.1	Confident	82	Confident	79 Å²	79	55 Å²	55	31%	0.31	27%	0.265	S	S	.	.	H	α-helix	trans	-69.6	-57	176.4	-174.9	-117	0	0	0	112.4	W783 L787 L828 Q829 H830 K861	W783-Y832 AromaticContact CE3-CD2 3.87Å; W783-Y832 HydrophobicContact CE3-CD2 3.87Å; W783-Y832 HydrophobicContact CE3-CG 4.25Å; W783-Y832 AromaticContact CH2-CD2 3.49Å; W783-Y832 HydrophobicContact CH2-CD2 3.49Å; W783-Y832 VanDerWaalsContact CH2-CD2 3.49Å; W783-Y832 AromaticContact CH2-CE2 3.86Å; W783-Y832 HydrophobicContact CH2-CE2 3.86Å; W783-Y832 HydrophobicContact CZ2-CD2 4.38Å; W783-Y832 AromaticContact CZ3-CD2 3.18Å; W783-Y832 HydrophobicContact CZ3-CD2 3.18Å; W783-Y832 AromaticContact CZ3-CE2 3.74Å; W783-Y832 HydrophobicContact CZ3-CE2 3.74Å; W783-Y832 AromaticContact CZ3-CG 3.95Å; W783-Y832 HydrophobicContact CZ3-CG 3.95Å; L787-Y832 HydrophobicContact CD1-CG 4.48Å; L828-Y832 PolarHBondContact O-N 2.56Å; Q829-Y832 PolarHBondContact O-N 3.02Å; H830-Y832 VanDerWaalsContact C-N 3.27Å; H830-Y832 PolarHBondContact O-N 2.95Å; Y832-K861 PolarHBondContact O-NZ 3.09Å; Y832-K861 VanDerWaalsContact O-NZ 3.08Å
833	Y	77.5	Confident	82.7	Confident	120 Å²	120	57.6 Å²	57.6	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-89.3	-37	-168.5	-69.7	-65	0	0	0	115.6	I527 Q829	I527-Y833 HydrophobicContact CG2-CE1 3.79Å; I527-Y833 WeakPolarHBondContact CG2-OH 3.32Å; Q829-Y833 HydrophobicContact CB-CD2 4.4Å; Q829-Y833 WeakPolarHBondContact O-CD2 3.43Å; Q829-Y833 PolarHBondContact O-N 3.19Å
834	N	64.4	Low	83.2	Confident	79 Å²	79	55.3 Å²	55.3	42%	0.422	27%	0.265	S	S	.	.			trans	-159	98.5	-172.4	-172.5	7.8	0	0	0	113	H830 S836 L837	H830-N834 CarbonylContact O-C 3.55Å; H830-N834 WeakPolarHBondContact O-CA 3.45Å; H830-N834 PolarHBondContact O-N 3.34Å; N834-S836 PolarHBondContact ND2-OG 3.02Å; N834-S836 PolarHBondContact O-N 3.32Å; N834-S836 PolarHBondContact OD1-N 3.4Å; N834-S836 PolarHBondContact OD1-OG 2.85Å; N834-S836 VanDerWaalsContact OD1-OG 3.05Å; N834-L837 PolarHBondContact O-N 3.07Å
835	E	65.3	Low	83.4	Confident	119 Å²	119	61.7 Å²	61.7	56%	0.556	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-61.4	-17.6	-175.3	-70.8	158.7	-145.2	0	0	114.3	H830 L837 L838 K861	H830-E835 PolarHBondContact O-N 3.41Å; E835-L837 VanDerWaalsContact C-N 3.26Å; E835-L837 PolarHBondContact O-N 3.23Å; E835-L838 VanDerWaalsContact O-CB 3.3Å; E835-L838 WeakPolarHBondContact O-CB 3.19Å; E835-L838 PolarHBondContact O-N 3.38Å; E835-K861 HydrophobicContact CG-CD 4.3Å; E835-K861 WeakPolarHBondContact OE1-CD 3.4Å; E835-K861 WeakPolarHBondContact OE1-CE 3.16Å; E835-K861 IonicContact OE1-NZ 3.71Å; E835-K861 PolarHBondContact OE1-NZ 3.47Å
836	S	65.7	Low	83.7	Confident	96 Å²	96	65 Å²	65	67%	0.671	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-71.9	-14.2	-176.4	71.5	0	0	0	0	115	N834	N834-S836 PolarHBondContact ND2-OG 3.02Å; N834-S836 PolarHBondContact O-N 3.32Å; N834-S836 PolarHBondContact OD1-N 3.4Å; N834-S836 PolarHBondContact OD1-OG 2.85Å; N834-S836 VanDerWaalsContact OD1-OG 3.05Å
837	L	71.8	Confident	84.1	Confident	102 Å²	102	64.3 Å²	64.3	53%	0.534	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-108.3	5.6	177.9	-66.7	174.9	0	0	0	112.9	H830 N834 E835 V839	H830-L837 HydrophobicContact CB-CB 4.3Å; N834-L837 PolarHBondContact O-N 3.07Å; E835-L837 VanDerWaalsContact C-N 3.26Å; E835-L837 PolarHBondContact O-N 3.23Å; L837-V839 PolarHBondContact O-N 3.06Å
838	L	78.5	Confident	84.4	Confident	26 Å²	26	65.7 Å²	65.7	14%	0.136	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-74.7	124.9	-174.6	-177.3	62.3	0	0	0	112	N827 M831 E835 Y840	N827-L838 VanDerWaalsContact O-CD1 3.29Å; N827-L838 WeakPolarHBondContact O-CD1 3.13Å; M831-L838 HydrophobicContact CB-CD1 3.77Å; M831-L838 HydrophobicContact CB-CD2 4.1Å; M831-L838 HydrophobicContact CE-CD1 4.23Å; M831-L838 HydrophobicContact CE-CD2 3.59Å; M831-L838 HydrophobicContact CE-CG 4.46Å; M831-L838 HydrophobicContact CG-CD1 4.44Å; M831-L838 HydrophobicContact CG-CD2 3.93Å; E835-L838 VanDerWaalsContact O-CB 3.3Å; E835-L838 WeakPolarHBondContact O-CB 3.19Å; E835-L838 PolarHBondContact O-N 3.38Å; L838-Y840 HydrophobicContact CD2-CE1 4.18Å; L838-Y840 HydrophobicContact CD2-CE2 3.62Å; L838-Y840 VanDerWaalsContact CD2-CZ 3.42Å; L838-Y840 VanDerWaalsContact CD2-OH 3.25Å; L838-Y840 WeakPolarHBondContact CD2-OH 3.44Å; L838-Y840 HydrophobicContact CG-CD2 4.36Å; L838-Y840 HydrophobicContact CG-CE2 3.89Å
839	V	84.9	Confident	84.6	Confident	81 Å²	81	69.4 Å²	69.4	49%	0.491	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-100.2	122.4	175.8	-177.6	0	0	0	0	109.4	F816 N827 L837	F816-V839 WeakPolarHBondContact CE1-O 3.38Å; N827-V839 PolarHBondContact ND2-O 2.87Å; N827-V839 PolarHBondContact OD1-N 3.02Å; N827-V839 PolarHBondContact OD1-O 3.23Å; L837-V839 PolarHBondContact O-N 3.06Å
840	Y	91.9	Very high	85	Confident	89 Å²	89	71.4 Å²	71.4	35%	0.349	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-95.3	159.8	171.4	-68	-87.4	0	0	0	111.4	M831 L838 R842 M856 W859	M831-Y840 HydrophobicContact CE-CE1 3.98Å; L838-Y840 HydrophobicContact CD2-CE1 4.18Å; L838-Y840 HydrophobicContact CD2-CE2 3.62Å; L838-Y840 VanDerWaalsContact CD2-CZ 3.42Å; L838-Y840 VanDerWaalsContact CD2-OH 3.25Å; L838-Y840 WeakPolarHBondContact CD2-OH 3.44Å; L838-Y840 HydrophobicContact CG-CD2 4.36Å; L838-Y840 HydrophobicContact CG-CE2 3.89Å; Y840-R842 PolarHBondContact O-N 2.82Å; Y840-M856 HydrophobicContact CD1-CE 3.64Å; Y840-M856 HydrophobicContact CD1-SD 4.08Å; Y840-M856 HydrophobicContact CD2-CE 3.92Å; Y840-M856 HydrophobicContact CE1-CE 3.78Å; Y840-M856 HydrophobicContact CE2-CE 4.06Å; Y840-M856 HydrophobicContact CG-CE 3.69Å; Y840-M856 HydrophobicContact CG-SD 4.16Å; Y840-W859 HydrophobicContact CD1-CB 4.31Å; Y840-W859 HydrophobicContact CD1-CE3 4.04Å; Y840-W859 HydrophobicContact CE1-CB 4.06Å
841	L	95	Very high	85.6	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.037	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-62.8	129.8	170.8	-66.7	172.2	0	0	0	110	V802 W805 P815 F816 Y852 W859	V802-L841 HydrophobicContact CB-CD1 4.46Å; V802-L841 HydrophobicContact CG1-CD1 4.04Å; V802-L841 HydrophobicContact CG2-CD1 4.15Å; W805-L841 HydrophobicContact CB-CD1 4.3Å; W805-L841 HydrophobicContact CD2-CB 4.26Å; W805-L841 HydrophobicContact CD2-CD1 3.9Å; W805-L841 HydrophobicContact CD2-CD2 4.5Å; W805-L841 HydrophobicContact CD2-CG 4.45Å; W805-L841 HydrophobicContact CE3-CD1 4.16Å; W805-L841 HydrophobicContact CG-CB 4.16Å; W805-L841 HydrophobicContact CG-CD1 3.97Å; W805-L841 HydrophobicContact CH2-CD2 4.34Å; W805-L841 HydrophobicContact CZ2-CD2 4.15Å; P815-L841 HydrophobicContact CB-CD1 4.15Å; P815-L841 HydrophobicContact CB-CD2 3.99Å; F816-L841 HydrophobicContact CD1-CD2 3.76Å; F816-L841 HydrophobicContact CD1-CG 4.45Å; F816-L841 HydrophobicContact CD2-CD2 3.82Å; F816-L841 HydrophobicContact CD2-CG 4.48Å; F816-L841 HydrophobicContact CE1-CD2 3.76Å; F816-L841 HydrophobicContact CE1-CG 3.94Å; F816-L841 HydrophobicContact CE2-CD1 4.33Å; F816-L841 HydrophobicContact CE2-CD2 3.82Å; F816-L841 HydrophobicContact CE2-CG 3.97Å; F816-L841 HydrophobicContact CG-CD2 3.8Å; F816-L841 HydrophobicContact CZ-CD1 4.4Å; F816-L841 HydrophobicContact CZ-CD2 3.79Å; F816-L841 HydrophobicContact CZ-CG 3.68Å; F816-L841 VanDerWaalsContact N-CD2 3.3Å; L841-Y852 WeakPolarHBondContact O-CE2 3.27Å; L841-Y852 PolarHBondContact O-OH 3.4Å; L841-W859 HydrophobicContact CB-CH2 3.8Å; L841-W859 HydrophobicContact CB-CZ2 4.46Å; L841-W859 HydrophobicContact CB-CZ3 4.21Å; L841-W859 HydrophobicContact CD1-CH2 3.96Å; L841-W859 HydrophobicContact CD1-CZ2 3.78Å; L841-W859 HydrophobicContact CG-CH2 4.35Å
842	R	94.5	Very high	86.2	Confident	117 Å²	117	71.3 Å²	71.3	44%	0.442	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.3	146.2	-179.3	69.4	-172.3	-176.6	110	-13.2	111.8	W805 E813 Y840 P844	W805-R842 PolarHBondContact NE1-O 3.18Å; E813-R842 VanDerWaalsContact CD-NH2 3.28Å; E813-R842 IonicContact OE1-CZ 3.52Å; E813-R842 IonicContact OE1-NE 3.58Å; E813-R842 PolarHBondContact OE1-NE 2.78Å; E813-R842 IonicContact OE1-NH2 2.81Å; E813-R842 PolarHBondContact OE1-NH2 2.84Å; E813-R842 IonicContact OE2-CZ 3.78Å; E813-R842 IonicContact OE2-NE 2.72Å; E813-R842 IonicContact OE2-NH2 2.75Å; E813-R842 PolarHBondContact OE2-NH2 3.49Å; Y840-R842 PolarHBondContact O-N 2.82Å; R842-P844 WeakPolarHBondContact O-CD 3.45Å
843	K	96.2	Very high	86.9	Confident	76 Å²	76	70.4 Å²	70.4	33%	0.33	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-59.7	125.8	171.3	-169.1	-172.4	80.6	66.4	0	110.1	D845 C847 Y852	K843-D845 PolarHBondContact NZ-O 2.66Å; K843-C847 HydrophobicContact CG-CB 4.29Å; K843-C847 PolarHBondContact NZ-O 3.1Å; K843-Y852 VanDerWaalsContact CA-CE2 3.45Å; K843-Y852 HydrophobicContact CB-CD1 3.97Å; K843-Y852 HydrophobicContact CB-CD2 3.8Å; K843-Y852 HydrophobicContact CB-CE1 4Å; K843-Y852 HydrophobicContact CB-CE2 3.86Å; K843-Y852 HydrophobicContact CB-CG 3.86Å; K843-Y852 HydrophobicContact CD-CD1 4.31Å; K843-Y852 HydrophobicContact CD-CG 4.14Å; K843-Y852 HydrophobicContact CG-CD1 4.01Å; K843-Y852 HydrophobicContact CG-CD2 3.76Å; K843-Y852 HydrophobicContact CG-CE2 4.34Å; K843-Y852 HydrophobicContact CG-CG 3.57Å
844	P	94.7	Very high	87.8	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-63.3	145.4	170.7	-20.9	33	0	0	0	111.2	W805 Y808 M809 R842 I846 C847	W805-P844 HydrophobicContact CG-CG 4.45Å; Y808-P844 WeakPolarHBondContact O-CB 3.38Å; M809-P844 HydrophobicContact CG-CB 4.2Å; M809-P844 HydrophobicContact CG-CG 3.88Å; M809-P844 HydrophobicContact SD-CB 3.53Å; M809-P844 VanDerWaalsContact SD-CB 3.53Å; M809-P844 HydrophobicContact SD-CG 3.72Å; R842-P844 WeakPolarHBondContact O-CD 3.45Å; P844-I846 VanDerWaalsContact C-N 3.34Å; P844-I846 PolarHBondContact O-N 3.42Å; P844-C847 HydrophobicContact CB-CB 3.87Å; P844-C847 HydrophobicContact CG-CB 4.06Å; P844-C847 WeakPolarHBondContact O-CB 3.19Å; P844-C847 PolarHBondContact O-N 2.92Å
845	D	91.8	Very high	89.4	Confident	137 Å²	137	61.2 Å²	61.2	73%	0.733	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-44.9	-174.9	-61	-48.2	0	0	0	111.7	K843 C847	K843-D845 PolarHBondContact NZ-O 2.66Å; D845-C847 VanDerWaalsContact C-N 3.26Å; D845-C847 PolarHBondContact O-N 3.34Å
846	I	92.5	Very high	90.9	Very high	84 Å²	84	58.2 Å²	58.2	43%	0.431	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.8	178.2	64.7	167	0	0	0	114.5	L714 Y808 L810 P844 P848	L714-I846 HydrophobicContact CD1-CD1 3.76Å; Y808-I846 HydrophobicContact CD1-CG1 4.35Å; Y808-I846 WeakPolarHBondContact O-CD1 3.06Å; Y808-I846 WeakPolarHBondContact O-CG1 3.32Å; L810-I846 HydrophobicContact CD1-CD1 4.31Å; L810-I846 HydrophobicContact CD2-CD1 4Å; L810-I846 HydrophobicContact CG-CD1 4.03Å; P844-I846 VanDerWaalsContact C-N 3.34Å; P844-I846 PolarHBondContact O-N 3.42Å; I846-P848 WeakPolarHBondContact O-CD 3.39Å
847	C	93.6	Very high	92.4	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	29%	0.29	C	S	.	.	S	Bend	trans	-86.6	124.8	179.5	-173.5	0	0	0	0	111.6	Y808 K843 P844 D845 M855	Y808-C847 HydrophobicContact CD1-CB 3.98Å; Y808-C847 HydrophobicContact CG-CB 4.07Å; K843-C847 HydrophobicContact CG-CB 4.29Å; K843-C847 PolarHBondContact NZ-O 3.1Å; P844-C847 HydrophobicContact CB-CB 3.87Å; P844-C847 HydrophobicContact CG-CB 4.06Å; P844-C847 WeakPolarHBondContact O-CB 3.19Å; P844-C847 PolarHBondContact O-N 2.92Å; D845-C847 VanDerWaalsContact C-N 3.26Å; D845-C847 PolarHBondContact O-N 3.34Å; C847-M855 VanDerWaalsContact SG-CE 3.59Å
848	P	92.2	Very high	93.7	Very high	41 Å²	41	50.6 Å²	50.6	27%	0.266	26%	0.264	S	S	.	.			trans	-54.5	142.4	166.9	-26.8	35.9	0	0	0	112.3	I846 E850 L851 Y852	I846-P848 WeakPolarHBondContact O-CD 3.39Å; P848-E850 WeakPolarHBondContact CB-OE2 3.1Å; P848-E850 PolarHBondContact O-N 2.79Å; P848-L851 HydrophobicContact CB-CB 4.49Å; P848-L851 HydrophobicContact CB-CD1 4.4Å; P848-L851 HydrophobicContact CG-CD1 4.01Å; P848-L851 PolarHBondContact O-N 2.79Å; P848-Y852 PolarHBondContact O-N 2.82Å; P848-Y852 VanDerWaalsContact O-N 3.14Å
849	P	93.7	Very high	94.6	Very high	85 Å²	85	49.7 Å²	49.7	55%	0.552	26%	0.259	S	S	*	.	H	α-helix	trans	-55.5	-35.5	179.2	-26	35.1	0	0	0	113.9	Y852 A853	P849-Y852 PolarHBondContact O-N 3Å; P849-A853 PolarHBondContact O-N 3.1Å
850	E	91.9	Very high	95.1	Very high	104 Å²	104	47.2 Å²	47.2	49%	0.486	25%	0.245	S	C	.	.	H	α-helix	trans	-73.5	-33.6	-176	-51.8	74.8	-164.8	0	0	111.8	P848 A853 L854 F879	P848-E850 WeakPolarHBondContact CB-OE2 3.1Å; P848-E850 PolarHBondContact O-N 2.79Å; E850-A853 PolarHBondContact O-N 2.95Å; E850-L854 PolarHBondContact O-N 2.91Å; E850-L854 VanDerWaalsContact O-N 3.1Å; E850-F879 HydrophobicContact CB-CD1 4.4Å; E850-F879 HydrophobicContact CB-CE1 3.3Å; E850-F879 HydrophobicContact CB-CZ 3.45Å; E850-F879 VanDerWaalsContact CB-CZ 3.45Å; E850-F879 HydrophobicContact CG-CE1 4.05Å
851	L	94.4	Very high	95.1	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-73.1	-31.1	171.3	-75.5	173.5	0	0	0	111.9	L715 Y808 P848 L854 M855 L876 F879	L715-L851 HydrophobicContact CD1-CD1 4.22Å; L715-L851 HydrophobicContact CD1-CD2 4.25Å; Y808-L851 HydrophobicContact CE1-CD1 4.42Å; Y808-L851 HydrophobicContact CE2-CD1 4.07Å; Y808-L851 VanDerWaalsContact OH-CD1 3.27Å; Y808-L851 WeakPolarHBondContact OH-CD1 3.41Å; P848-L851 HydrophobicContact CB-CB 4.49Å; P848-L851 HydrophobicContact CB-CD1 4.4Å; P848-L851 HydrophobicContact CG-CD1 4.01Å; P848-L851 PolarHBondContact O-N 2.79Å; L851-L854 HydrophobicContact CD2-CD2 4.34Å; L851-L854 WeakPolarHBondContact O-CB 3.42Å; L851-L854 PolarHBondContact O-N 2.91Å; L851-M855 WeakPolarHBondContact O-CG 3.12Å; L851-M855 PolarHBondContact O-N 2.89Å; L851-L876 HydrophobicContact CD2-CD2 3.57Å; L851-F879 HydrophobicContact CD2-CD2 3.41Å; L851-F879 VanDerWaalsContact CD2-CD2 3.41Å; L851-F879 HydrophobicContact CD2-CE2 3.63Å; L851-F879 HydrophobicContact CD2-CG 4.18Å; L851-F879 HydrophobicContact CG-CD2 4.02Å; L851-F879 HydrophobicContact CG-CE2 4.17Å; L851-F879 HydrophobicContact CG-CG 4.38Å
852	Y	97	Very high	94.9	Very high	49 Å²	49	49.7 Å²	49.7	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-36.5	170.5	-173.5	-111.8	0	0	0	112.1	L841 K843 P848 P849 L854 M855 M856 W859	L841-Y852 WeakPolarHBondContact O-CE2 3.27Å; L841-Y852 PolarHBondContact O-OH 3.4Å; K843-Y852 VanDerWaalsContact CA-CE2 3.45Å; K843-Y852 HydrophobicContact CB-CD1 3.97Å; K843-Y852 HydrophobicContact CB-CD2 3.8Å; K843-Y852 HydrophobicContact CB-CE1 4Å; K843-Y852 HydrophobicContact CB-CE2 3.86Å; K843-Y852 HydrophobicContact CB-CG 3.86Å; K843-Y852 HydrophobicContact CD-CD1 4.31Å; K843-Y852 HydrophobicContact CD-CG 4.14Å; K843-Y852 HydrophobicContact CG-CD1 4.01Å; K843-Y852 HydrophobicContact CG-CD2 3.76Å; K843-Y852 HydrophobicContact CG-CE2 4.34Å; K843-Y852 HydrophobicContact CG-CG 3.57Å; P848-Y852 PolarHBondContact O-N 2.82Å; P848-Y852 VanDerWaalsContact O-N 3.14Å; P849-Y852 PolarHBondContact O-N 3Å; Y852-L854 VanDerWaalsContact C-N 3.26Å; Y852-L854 PolarHBondContact O-N 2.72Å; Y852-M855 HydrophobicContact CD2-CB 4.48Å; Y852-M855 HydrophobicContact CD2-SD 3.75Å; Y852-M855 HydrophobicContact CE2-SD 4.46Å; Y852-M855 WeakPolarHBondContact O-CB 3.39Å; Y852-M855 PolarHBondContact O-N 3.04Å; Y852-M855 VanDerWaalsContact O-N 3.13Å; Y852-M856 HydrophobicContact CD1-CG 4.19Å; Y852-M856 HydrophobicContact CE1-CG 3.91Å; Y852-M856 HydrophobicContact CE1-SD 4.1Å; Y852-M856 HydrophobicContact CE2-SD 4.47Å; Y852-M856 WeakPolarHBondContact O-CG 2.97Å; Y852-M856 PolarHBondContact O-N 2.88Å; Y852-W859 HydrophobicContact CE2-CZ3 4.38Å
853	A	96.8	Very high	94.9	Very high	59 Å²	59	46.8 Å²	46.8	49%	0.488	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-37.2	171	0	0	0	0	0	111.9	P849 E850 M856 S857	P849-A853 PolarHBondContact O-N 3.1Å; E850-A853 PolarHBondContact O-N 2.95Å; A853-M856 PolarHBondContact O-N 3.18Å; A853-S857 PolarHBondContact O-N 3.33Å
854	L	97	Very high	94.8	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-45.5	170.6	178.2	58.6	0	0	0	112.1	L804 E850 L851 Y852 M856 S857 C858 P867 I872 L875 L876	L804-L854 HydrophobicContact CD2-CD2 4.36Å; E850-L854 PolarHBondContact O-N 2.91Å; E850-L854 VanDerWaalsContact O-N 3.1Å; L851-L854 HydrophobicContact CD2-CD2 4.34Å; L851-L854 WeakPolarHBondContact O-CB 3.42Å; L851-L854 PolarHBondContact O-N 2.91Å; Y852-L854 VanDerWaalsContact C-N 3.26Å; Y852-L854 PolarHBondContact O-N 2.72Å; L854-M856 VanDerWaalsContact C-N 3.34Å; L854-M856 PolarHBondContact O-N 3.2Å; L854-S857 PolarHBondContact O-N 2.7Å; L854-S857 PolarHBondContact O-OG 3.06Å; L854-C858 PolarHBondContact O-N 2.88Å; L854-C858 VanDerWaalsContact O-N 3.15Å; L854-C858 PolarHBondContact O-SG 2.72Å; L854-P867 HydrophobicContact CD1-CG 4.46Å; L854-I872 HydrophobicContact CD1-CG1 4.22Å; L854-L875 HydrophobicContact CD1-CD1 3.78Å; L854-L875 HydrophobicContact CD2-CB 4.48Å; L854-L876 HydrophobicContact CD2-CD2 3.9Å; L854-L876 HydrophobicContact CD2-CG 4.19Å
855	M	98	Very high	94.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.6	-47.5	173.6	-63.5	169.7	-168	0	0	111.3	L804 W805 Y808 C847 L851 Y852 S857 C858 W859	L804-M855 HydrophobicContact CB-CE 4.41Å; L804-M855 HydrophobicContact CB-CG 4.37Å; L804-M855 HydrophobicContact CD2-CE 4.33Å; L804-M855 HydrophobicContact CD2-CG 3.94Å; L804-M855 HydrophobicContact CG-CE 3.81Å; L804-M855 HydrophobicContact CG-CG 4.19Å; W805-M855 HydrophobicContact CB-CE 4.47Å; W805-M855 HydrophobicContact CB-SD 4Å; Y808-M855 HydrophobicContact CD2-CE 3.97Å; Y808-M855 HydrophobicContact CG-CE 4.36Å; C847-M855 VanDerWaalsContact SG-CE 3.59Å; L851-M855 WeakPolarHBondContact O-CG 3.12Å; L851-M855 PolarHBondContact O-N 2.89Å; Y852-M855 HydrophobicContact CD2-CB 4.48Å; Y852-M855 HydrophobicContact CD2-SD 3.75Å; Y852-M855 HydrophobicContact CE2-SD 4.46Å; Y852-M855 WeakPolarHBondContact O-CB 3.39Å; Y852-M855 PolarHBondContact O-N 3.04Å; Y852-M855 VanDerWaalsContact O-N 3.13Å; M855-S857 VanDerWaalsContact C-N 3.34Å; M855-S857 PolarHBondContact O-N 3.17Å; M855-C858 VanDerWaalsContact O-CB 3.3Å; M855-C858 WeakPolarHBondContact O-CB 3.4Å; M855-C858 PolarHBondContact O-N 2.75Å; M855-W859 HydrophobicContact CB-CE3 4.47Å; M855-W859 HydrophobicContact CB-CH2 3.71Å; M855-W859 HydrophobicContact CB-CZ2 4.12Å; M855-W859 HydrophobicContact CB-CZ3 3.91Å; M855-W859 HydrophobicContact CG-CH2 4.43Å; M855-W859 VanDerWaalsContact O-CD2 3.31Å; M855-W859 PolarHBondContact O-N 3.15Å; M855-W859 HydrophobicContact SD-CH2 4.41Å
856	M	97.4	Very high	95.2	Very high	57 Å²	57	46.9 Å²	46.9	28%	0.281	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-40.2	178.5	-68.6	-61.1	-57.9	0	0	112.6	Y840 Y852 A853 L854 C858 W859	Y840-M856 HydrophobicContact CD1-CE 3.64Å; Y840-M856 HydrophobicContact CD1-SD 4.08Å; Y840-M856 HydrophobicContact CD2-CE 3.92Å; Y840-M856 HydrophobicContact CE1-CE 3.78Å; Y840-M856 HydrophobicContact CE2-CE 4.06Å; Y840-M856 HydrophobicContact CG-CE 3.69Å; Y840-M856 HydrophobicContact CG-SD 4.16Å; Y852-M856 HydrophobicContact CD1-CG 4.19Å; Y852-M856 HydrophobicContact CE1-CG 3.91Å; Y852-M856 HydrophobicContact CE1-SD 4.1Å; Y852-M856 HydrophobicContact CE2-SD 4.47Å; Y852-M856 WeakPolarHBondContact O-CG 2.97Å; Y852-M856 PolarHBondContact O-N 2.88Å; A853-M856 PolarHBondContact O-N 3.18Å; L854-M856 VanDerWaalsContact C-N 3.34Å; L854-M856 PolarHBondContact O-N 3.2Å; M856-C858 VanDerWaalsContact C-N 3.27Å; M856-C858 PolarHBondContact O-N 2.71Å; M856-W859 CarbonylContact O-C 3.51Å; M856-W859 PolarHBondContact O-N 3.49Å; M856-W859 HydrophobicContact SD-CE3 3.77Å; M856-W859 HydrophobicContact SD-CZ3 3.89Å
857	S	97.6	Very high	95.4	Very high	38 Å²	38	43.8 Å²	43.8	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-24	175.3	72.2	0	0	0	0	113.9	A853 L854 M855 W859 S860 P867	A853-S857 PolarHBondContact O-N 3.33Å; L854-S857 PolarHBondContact O-N 2.7Å; L854-S857 PolarHBondContact O-OG 3.06Å; M855-S857 VanDerWaalsContact C-N 3.34Å; M855-S857 PolarHBondContact O-N 3.17Å; S857-W859 VanDerWaalsContact C-N 3.27Å; S857-S860 PolarHBondContact O-OG 2.9Å; S857-P867 VanDerWaalsContact O-CD 3.27Å; S857-P867 WeakPolarHBondContact O-CD 3.25Å
858	C	98.4	Very high	95.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-72.7	-22.7	171.5	-61.4	0	0	0	0	112.2	V797 W798 L854 M855 M856 R866	V797-C858 HydrophobicContact CG1-CB 4.01Å; V797-C858 WeakPolarHBondContact O-CB 3.19Å; W798-C858 WeakPolarHBondContact CA-O 3.4Å; L854-C858 PolarHBondContact O-N 2.88Å; L854-C858 VanDerWaalsContact O-N 3.15Å; L854-C858 PolarHBondContact O-SG 2.72Å; M855-C858 VanDerWaalsContact O-CB 3.3Å; M855-C858 WeakPolarHBondContact O-CB 3.4Å; M855-C858 PolarHBondContact O-N 2.75Å; M856-C858 VanDerWaalsContact C-N 3.27Å; M856-C858 PolarHBondContact O-N 2.71Å; C858-R866 WeakPolarHBondContact O-CD 3.36Å
859	W	96.9	Very high	95.9	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.027	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	18.5	179.7	-53.8	-38.6	0	0	0	113.4	W798 G801 V802 W805 M831 Y840 L841 Y852 M855 M856 S857 K861	W798-W859 AromaticContact CD2-CD1 3.71Å; W798-W859 HydrophobicContact CD2-CG 4.5Å; W798-W859 AromaticContact CE2-CD1 3.91Å; W798-W859 HydrophobicContact CE3-CB 4.31Å; W798-W859 AromaticContact CG-CD1 3.8Å; W798-W859 HydrophobicContact CZ3-CB 4.39Å; W798-W859 PolarHBondContact O-NE1 3.05Å; G801-W859 VanDerWaalsContact C-CZ2 3.47Å; G801-W859 WeakPolarHBondContact O-CZ2 3.41Å; V802-W859 HydrophobicContact CG2-CZ2 4.25Å; W805-W859 HydrophobicContact CB-CH2 4.29Å; W805-W859 HydrophobicContact CB-CZ2 4.34Å; M831-W859 VanDerWaalsContact CE-O 3.29Å; M831-W859 WeakPolarHBondContact CE-O 3.44Å; Y840-W859 HydrophobicContact CD1-CB 4.31Å; Y840-W859 HydrophobicContact CD1-CE3 4.04Å; Y840-W859 HydrophobicContact CE1-CB 4.06Å; L841-W859 HydrophobicContact CB-CH2 3.8Å; L841-W859 HydrophobicContact CB-CZ2 4.46Å; L841-W859 HydrophobicContact CB-CZ3 4.21Å; L841-W859 HydrophobicContact CD1-CH2 3.96Å; L841-W859 HydrophobicContact CD1-CZ2 3.78Å; L841-W859 HydrophobicContact CG-CH2 4.35Å; Y852-W859 HydrophobicContact CE2-CZ3 4.38Å; M855-W859 HydrophobicContact CB-CE3 4.47Å; M855-W859 HydrophobicContact CB-CH2 3.71Å; M855-W859 HydrophobicContact CB-CZ2 4.12Å; M855-W859 HydrophobicContact CB-CZ3 3.91Å; M855-W859 HydrophobicContact CG-CH2 4.43Å; M855-W859 VanDerWaalsContact O-CD2 3.31Å; M855-W859 PolarHBondContact O-N 3.15Å; M855-W859 HydrophobicContact SD-CH2 4.41Å; M856-W859 CarbonylContact O-C 3.51Å; M856-W859 PolarHBondContact O-N 3.49Å; M856-W859 HydrophobicContact SD-CE3 3.77Å; M856-W859 HydrophobicContact SD-CZ3 3.89Å; S857-W859 VanDerWaalsContact C-N 3.27Å; W859-K861 PolarHBondContact O-N 2.94Å
860	S	95.2	Very high	96.1	Very high	29 Å²	29	42.1 Å²	42.1	20%	0.203	24%	0.238	C	C	.	.			trans	-56.9	137.3	171.9	-59.4	0	0	0	0	110.9	S857 R866	S857-S860 PolarHBondContact O-OG 2.9Å; S860-R866 PolarHBondContact O-NE 3.27Å; S860-R866 PolarHBondContact O-NH2 2.75Å
861	K	91.5	Very high	96.3	Very high	65 Å²	65	41 Å²	41	28%	0.283	24%	0.236	S	C	.	.	S	Bend	trans	-60.5	-49.6	-179.4	175.6	174.2	177.1	160.3	0	112.2	W783 M831 Y832 E835 W859 R866	W783-K861 PolarHBondContact NE1-O 2.88Å; M831-K861 HydrophobicContact CG-CB 4.11Å; M831-K861 HydrophobicContact CG-CD 4.32Å; M831-K861 HydrophobicContact CG-CG 4.08Å; M831-K861 VanDerWaalsContact O-CD 3.32Å; M831-K861 WeakPolarHBondContact O-CD 3.38Å; M831-K861 WeakPolarHBondContact O-CE 3.49Å; M831-K861 PolarHBondContact O-NZ 3.02Å; M831-K861 HydrophobicContact SD-CB 4.08Å; M831-K861 HydrophobicContact SD-CG 4.46Å; Y832-K861 PolarHBondContact O-NZ 3.09Å; Y832-K861 VanDerWaalsContact O-NZ 3.08Å; E835-K861 HydrophobicContact CG-CD 4.3Å; E835-K861 WeakPolarHBondContact OE1-CD 3.4Å; E835-K861 WeakPolarHBondContact OE1-CE 3.16Å; E835-K861 IonicContact OE1-NZ 3.71Å; E835-K861 PolarHBondContact OE1-NZ 3.47Å; W859-K861 PolarHBondContact O-N 2.94Å; K861-R866 PolarHBondContact O-NH2 3.1Å
862	D	92	Very high	96.5	Very high	82 Å²	82	40.9 Å²	40.9	44%	0.439	24%	0.235	S	C	.	.	S	Bend	trans	-76.4	133.7	172.9	-161.2	-50.3	0	0	0	109.9	T864 D865	D862-T864 VanDerWaalsContact CG-OG1 3.27Å; D862-T864 PolarHBondContact O-N 3.49Å; D862-T864 WeakPolarHBondContact OD1-CB 3.22Å; D862-T864 PolarHBondContact OD1-N 2.86Å; D862-T864 PolarHBondContact OD1-OG1 2.93Å; D862-D865 PolarHBondContact O-N 3.05Å
863	E	93.4	Very high	96.5	Very high	57 Å²	57	40.6 Å²	40.6	27%	0.266	23%	0.234	S	C	.	.	S	Bend	trans	-68.9	-22.5	179.6	73.5	-177.5	170.2	0	0	112.6	K790 K794	K790-E863 WeakPolarHBondContact CE-OE2 3.47Å; K790-E863 IonicContact NZ-OE1 3.77Å; K790-E863 PolarHBondContact NZ-OE1 2.83Å; K790-E863 IonicContact NZ-OE2 2.7Å; K790-E863 PolarHBondContact NZ-OE2 2.7Å; K794-E863 HydrophobicContact CB-CB 3.92Å; K794-E863 HydrophobicContact CG-CB 4.32Å; K794-E863 WeakPolarHBondContact CG-O 3.15Å; K794-E863 PolarHBondContact NZ-O 3.26Å
864	T	94.3	Very high	96.4	Very high	98 Å²	98	41.7 Å²	41.7	60%	0.601	24%	0.238	S	C	*	.	S	Bend	trans	-71.9	-35.9	178.4	57.6	0	0	0	0	112	K794 D862 R866	K794-T864 PolarHBondContact NZ-O 2.79Å; D862-T864 VanDerWaalsContact CG-OG1 3.27Å; D862-T864 PolarHBondContact O-N 3.49Å; D862-T864 WeakPolarHBondContact OD1-CB 3.22Å; D862-T864 PolarHBondContact OD1-N 2.86Å; D862-T864 PolarHBondContact OD1-OG1 2.93Å; T864-R866 VanDerWaalsContact C-N 3.29Å; T864-R866 PolarHBondContact O-N 2.97Å
865	D	96.6	Very high	96.3	Very high	114 Å²	114	45.5 Å²	45.5	61%	0.61	26%	0.258	S	S	*	.	S	Bend	trans	-75.7	-13.6	179.4	-67.2	-23.2	0	0	0	113.7	D862	D862-D865 PolarHBondContact O-N 3.05Å
866	R	97.9	Very high	96.1	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.011	26%	0.258	C	S	.	.	S	Bend	trans	-72.1	135.8	172.2	-60.2	179.9	-161.2	153.4	9.7	110	E784 K794 V797 C858 S860 K861 T864	E784-R866 VanDerWaalsContact CD-NH2 3.34Å; E784-R866 IonicContact OE1-CZ 3.81Å; E784-R866 VanDerWaalsContact OE1-CZ 3.23Å; E784-R866 IonicContact OE1-NH1 2.75Å; E784-R866 PolarHBondContact OE1-NH1 2.7Å; E784-R866 IonicContact OE1-NH2 2.68Å; E784-R866 PolarHBondContact OE1-NH2 2.78Å; E784-R866 IonicContact OE2-CZ 2.74Å; E784-R866 IonicContact OE2-NH1 3.92Å; E784-R866 IonicContact OE2-NH2 3.69Å; E784-R866 PolarHBondContact OE2-NH2 3.03Å; K794-R866 HydrophobicContact CD-CB 4.43Å; K794-R866 PolarHBondContact NZ-O 2.77Å; K794-R866 VanDerWaalsContact O-CD 3.31Å; K794-R866 WeakPolarHBondContact O-CD 3.4Å; K794-R866 PolarHBondContact O-NH1 3.18Å; V797-R866 HydrophobicContact CG1-CB 3.98Å; C858-R866 WeakPolarHBondContact O-CD 3.36Å; S860-R866 PolarHBondContact O-NE 3.27Å; S860-R866 PolarHBondContact O-NH2 2.75Å; K861-R866 PolarHBondContact O-NH2 3.1Å; T864-R866 VanDerWaalsContact C-N 3.29Å; T864-R866 PolarHBondContact O-N 2.97Å
867	P	98.1	Very high	95.8	Very high	19 Å²	19	49.6 Å²	49.6	12%	0.123	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63	158.9	178	27.9	-35.4	0	0	0	111.9	V797 L854 S857 D871 I872	V797-P867 HydrophobicContact CG1-CG 4.3Å; V797-P867 WeakPolarHBondContact CG2-O 3.43Å; L854-P867 HydrophobicContact CD1-CG 4.46Å; S857-P867 VanDerWaalsContact O-CD 3.27Å; S857-P867 WeakPolarHBondContact O-CD 3.25Å; P867-D871 HydrophobicContact CB-CB 3.99Å; P867-I872 HydrophobicContact CB-CG1 4.03Å; P867-I872 HydrophobicContact CG-CD1 4.11Å; P867-I872 HydrophobicContact CG-CG1 3.77Å
868	T	98.2	Very high	95.3	Very high	44 Å²	44	49.8 Å²	49.8	27%	0.27	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-79.1	164.5	166.4	68.6	0	0	0	0	110.6	A870 D871 I872	T868-A870 PolarHBondContact O-N 2.84Å; T868-A870 PolarHBondContact OG1-N 2.91Å; T868-D871 WeakPolarHBondContact CB-OD2 3.44Å; T868-D871 PolarHBondContact N-OD2 2.93Å; T868-D871 PolarHBondContact O-N 3.44Å; T868-D871 VanDerWaalsContact O-N 3.11Å; T868-D871 PolarHBondContact OG1-N 3.19Å; T868-D871 PolarHBondContact OG1-OD2 2.86Å; T868-I872 WeakPolarHBondContact O-CG1 3.27Å; T868-I872 PolarHBondContact O-N 3.15Å
869	F	98.4	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-21.6	173.5	-76.9	-72.6	0	0	0	112.8	M725 R726 E729 D796 V797 F800 I872 R873	M725-F869 HydrophobicContact CB-CD1 3.43Å; M725-F869 VanDerWaalsContact CB-CD1 3.43Å; M725-F869 HydrophobicContact CB-CD2 3.9Å; M725-F869 HydrophobicContact CB-CE1 3.3Å; M725-F869 HydrophobicContact CB-CE2 3.78Å; M725-F869 HydrophobicContact CB-CG 3.73Å; M725-F869 HydrophobicContact CB-CZ 3.48Å; M725-F869 VanDerWaalsContact CB-CZ 3.48Å; M725-F869 HydrophobicContact CE-CE2 4Å; M725-F869 HydrophobicContact CE-CZ 3.92Å; M725-F869 HydrophobicContact CG-CD1 4.4Å; M725-F869 HydrophobicContact CG-CE1 3.83Å; M725-F869 HydrophobicContact CG-CZ 3.89Å; R726-F869 HydrophobicContact CB-CB 3.77Å; R726-F869 HydrophobicContact CG-CB 4.31Å; E729-F869 HydrophobicContact CB-CD2 4.12Å; E729-F869 WeakPolarHBondContact OE2-CB 3.38Å; E729-F869 PolarHBondContact OE2-N 3.04Å; D796-F869 HydrophobicContact CB-CE2 4.08Å; D796-F869 HydrophobicContact CB-CZ 4.18Å; V797-F869 HydrophobicContact CB-CE2 4.48Å; V797-F869 HydrophobicContact CB-CZ 4.42Å; V797-F869 HydrophobicContact CG2-CD2 3.85Å; V797-F869 HydrophobicContact CG2-CE1 4.38Å; V797-F869 HydrophobicContact CG2-CE2 3.52Å; V797-F869 HydrophobicContact CG2-CG 4.42Å; V797-F869 HydrophobicContact CG2-CZ 3.82Å; F800-F869 HydrophobicContact CB-CE1 3.61Å; F800-F869 HydrophobicContact CB-CZ 3.94Å; F800-F869 HydrophobicContact CD1-CE1 4.42Å; F800-F869 AromaticContact CD2-CE1 3.97Å; F800-F869 HydrophobicContact CD2-CE1 3.97Å; F800-F869 AromaticContact CG-CE1 3.73Å; F800-F869 HydrophobicContact CG-CE1 3.73Å; F869-I872 HydrophobicContact CD1-CD1 3.87Å; F869-I872 HydrophobicContact CE1-CD1 4.13Å; F869-I872 HydrophobicContact CG-CD1 4.48Å; F869-R873 VanDerWaalsContact O-CB 3.23Å; F869-R873 WeakPolarHBondContact O-CB 3.48Å; F869-R873 PolarHBondContact O-N 3.47Å
870	A	96.8	Very high	93.9	Very high	50 Å²	50	55 Å²	55	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-67.4	-44.1	169.4	0	0	0	0	0	112.1	R726 T868 R873 S874	R726-A870 HydrophobicContact CG-CB 4.49Å; T868-A870 PolarHBondContact O-N 2.84Å; T868-A870 PolarHBondContact OG1-N 2.91Å; A870-R873 PolarHBondContact O-N 2.94Å; A870-S874 PolarHBondContact O-N 3.47Å
871	D	97.4	Very high	92.9	Very high	81 Å²	81	57.3 Å²	57.3	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-47.9	177.6	-54.8	-50.2	0	0	0	111.2	P867 T868 R873 S874 L875	P867-D871 HydrophobicContact CB-CB 3.99Å; T868-D871 WeakPolarHBondContact CB-OD2 3.44Å; T868-D871 PolarHBondContact N-OD2 2.93Å; T868-D871 PolarHBondContact O-N 3.44Å; T868-D871 VanDerWaalsContact O-N 3.11Å; T868-D871 PolarHBondContact OG1-N 3.19Å; T868-D871 PolarHBondContact OG1-OD2 2.86Å; D871-R873 VanDerWaalsContact C-N 3.26Å; D871-R873 PolarHBondContact O-N 3.29Å; D871-S874 WeakPolarHBondContact O-CB 3.49Å; D871-S874 PolarHBondContact O-N 2.8Å; D871-S874 VanDerWaalsContact O-N 3.11Å; D871-L875 WeakPolarHBondContact O-CG 2.97Å; D871-L875 PolarHBondContact O-N 3.18Å
872	I	98.1	Very high	91.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-52	-48.7	173.7	-67.9	168.6	0	0	0	109.7	A722 V797 F800 L854 P867 T868 F869 S874 L875 L876	A722-I872 HydrophobicContact CB-CG2 3.86Å; V797-I872 HydrophobicContact CG1-CD1 4.05Å; V797-I872 HydrophobicContact CG2-CD1 4.26Å; F800-I872 HydrophobicContact CD1-CD1 3.95Å; F800-I872 HydrophobicContact CD1-CG2 4.14Å; F800-I872 HydrophobicContact CE1-CD1 4.28Å; F800-I872 HydrophobicContact CE1-CG2 3.42Å; F800-I872 VanDerWaalsContact CE1-CG2 3.42Å; F800-I872 HydrophobicContact CZ-CG2 3.69Å; L854-I872 HydrophobicContact CD1-CG1 4.22Å; P867-I872 HydrophobicContact CB-CG1 4.03Å; P867-I872 HydrophobicContact CG-CD1 4.11Å; P867-I872 HydrophobicContact CG-CG1 3.77Å; T868-I872 WeakPolarHBondContact O-CG1 3.27Å; T868-I872 PolarHBondContact O-N 3.15Å; F869-I872 HydrophobicContact CD1-CD1 3.87Å; F869-I872 HydrophobicContact CE1-CD1 4.13Å; F869-I872 HydrophobicContact CG-CD1 4.48Å; I872-S874 VanDerWaalsContact C-N 3.33Å; I872-S874 PolarHBondContact O-N 3.3Å; I872-L875 PolarHBondContact O-N 2.97Å; I872-L876 HydrophobicContact CG2-CD1 3.82Å; I872-L876 HydrophobicContact CG2-CG 4.4Å; I872-L876 VanDerWaalsContact O-CG 3.28Å; I872-L876 WeakPolarHBondContact O-CG 3.32Å; I872-L876 PolarHBondContact O-N 3.5Å
873	R	96	Very high	90.9	Very high	43 Å²	43	55.7 Å²	55.7	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-65.9	-35.5	-178	-174.1	53.3	174.4	144.3	-13.1	112.8	G719 D723 F869 A870 D871 R877	G719-R873 PolarHBondContact O-NE 3.03Å; D723-R873 VanDerWaalsContact CG-NE 3.31Å; D723-R873 IonicContact OD1-NE 3.66Å; D723-R873 IonicContact OD2-CZ 2.76Å; D723-R873 VanDerWaalsContact OD2-CZ 3.25Å; D723-R873 IonicContact OD2-NE 3.58Å; D723-R873 PolarHBondContact OD2-NE 2.94Å; D723-R873 IonicContact OD2-NH2 2.78Å; D723-R873 PolarHBondContact OD2-NH2 3.05Å; F869-R873 VanDerWaalsContact O-CB 3.23Å; F869-R873 WeakPolarHBondContact O-CB 3.48Å; F869-R873 PolarHBondContact O-N 3.47Å; A870-R873 PolarHBondContact O-N 2.94Å; D871-R873 VanDerWaalsContact C-N 3.26Å; D871-R873 PolarHBondContact O-N 3.29Å; R873-R877 WeakPolarHBondContact O-CG 3.19Å; R873-R877 PolarHBondContact O-N 2.87Å
874	S	94.9	Very high	89.4	Confident	83 Å²	83	57.2 Å²	57.2	58%	0.58	35%	0.346	S	S	*	.	H	α-helix	trans	-63	-49.4	173.8	-167.3	0	0	0	0	111.4	A870 D871 I872 L876 R877 G878	A870-S874 PolarHBondContact O-N 3.47Å; D871-S874 WeakPolarHBondContact O-CB 3.49Å; D871-S874 PolarHBondContact O-N 2.8Å; D871-S874 VanDerWaalsContact O-N 3.11Å; I872-S874 VanDerWaalsContact C-N 3.33Å; I872-S874 PolarHBondContact O-N 3.3Å; S874-L876 PolarHBondContact O-N 3.49Å; S874-R877 WeakPolarHBondContact O-CB 3.27Å; S874-R877 PolarHBondContact O-N 2.98Å; S874-R877 VanDerWaalsContact O-N 3.16Å; S874-G878 PolarHBondContact O-N 2.87Å
875	L	94.9	Very high	87.8	Confident	86 Å²	86	57.5 Å²	57.5	45%	0.45	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-45.6	178.1	-68.9	168.3	0	0	0	112.1	L854 D871 I872 R877 G878 F879	L854-L875 HydrophobicContact CD1-CD1 3.78Å; L854-L875 HydrophobicContact CD2-CB 4.48Å; D871-L875 WeakPolarHBondContact O-CG 2.97Å; D871-L875 PolarHBondContact O-N 3.18Å; I872-L875 PolarHBondContact O-N 2.97Å; L875-R877 VanDerWaalsContact C-N 3.3Å; L875-R877 PolarHBondContact O-N 3.14Å; L875-G878 WeakPolarHBondContact O-CA 3.23Å; L875-G878 PolarHBondContact O-N 2.83Å; L875-F879 HydrophobicContact CB-CE2 4.38Å; L875-F879 WeakPolarHBondContact O-CD2 3.33Å; L875-F879 PolarHBondContact O-N 2.68Å; L875-F879 VanDerWaalsContact O-N 3.09Å
876	L	94.4	Very high	85.6	Confident	0 Å²	0	59 Å²	59	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.2	-34	177.2	-65.4	171.9	0	0	0	113	L715 A718 A722 F800 L851 L854 I872 S874 T880	L715-L876 HydrophobicContact CD1-CB 4.43Å; L715-L876 HydrophobicContact CD1-CD2 3.7Å; A718-L876 HydrophobicContact CB-CD1 4.36Å; A718-L876 HydrophobicContact CB-CD2 4.37Å; A722-L876 HydrophobicContact CB-CD1 3.76Å; F800-L876 HydrophobicContact CZ-CD1 4.12Å; L851-L876 HydrophobicContact CD2-CD2 3.57Å; L854-L876 HydrophobicContact CD2-CD2 3.9Å; L854-L876 HydrophobicContact CD2-CG 4.19Å; I872-L876 HydrophobicContact CG2-CD1 3.82Å; I872-L876 HydrophobicContact CG2-CG 4.4Å; I872-L876 VanDerWaalsContact O-CG 3.28Å; I872-L876 WeakPolarHBondContact O-CG 3.32Å; I872-L876 PolarHBondContact O-N 3.5Å; S874-L876 PolarHBondContact O-N 3.49Å; L876-T880 PolarHBondContact O-N 3Å; L876-T880 VanDerWaalsContact O-N 3.09Å; L876-T880 PolarHBondContact O-OG1 3.22Å
877	R	90.7	Very high	85	Confident	142 Å²	142	61.8 Å²	61.8	54%	0.536	39%	0.39	S	S	.	.	H	α-helix	trans	-68.7	-36.3	171.8	-74.3	-179.7	179.1	-164.4	1.5	112.1	R873 S874 L875 T880 S881	R873-R877 WeakPolarHBondContact O-CG 3.19Å; R873-R877 PolarHBondContact O-N 2.87Å; S874-R877 WeakPolarHBondContact O-CB 3.27Å; S874-R877 PolarHBondContact O-N 2.98Å; S874-R877 VanDerWaalsContact O-N 3.16Å; L875-R877 VanDerWaalsContact C-N 3.3Å; L875-R877 PolarHBondContact O-N 3.14Å; R877-T880 PolarHBondContact O-N 2.77Å; R877-S881 PolarHBondContact O-N 2.94Å; R877-S881 PolarHBondContact O-OG 2.91Å
878	G	88.3	Confident	84.3	Confident	42 Å²	42	64.1 Å²	64.1	43%	0.433	40%	0.404	S	S	.	.	H	α-helix	trans	-55.8	-51.2	171.7	0	0	0	0	0	112	S874 L875 T880 S881 A882	S874-G878 PolarHBondContact O-N 2.87Å; L875-G878 WeakPolarHBondContact O-CA 3.23Å; L875-G878 PolarHBondContact O-N 2.83Å; G878-T880 VanDerWaalsContact C-N 3.34Å; G878-T880 PolarHBondContact O-N 3Å; G878-S881 WeakPolarHBondContact O-CB 3.5Å; G878-S881 PolarHBondContact O-N 2.76Å; G878-S881 VanDerWaalsContact O-N 3.16Å; G878-A882 PolarHBondContact O-N 3.42Å
879	F	85.3	Confident	83.5	Confident	48 Å²	48	65.2 Å²	65.2	21%	0.211	41%	0.411	C	S	.	.	H	α-helix	trans	-62.6	-37.6	176.3	-62.1	-56.9	0	0	0	113.3	L715 E850 L851 L875 S881 A882 I883	L715-F879 HydrophobicContact CD1-CB 4.36Å; L715-F879 HydrophobicContact CD2-CB 3.89Å; E850-F879 HydrophobicContact CB-CD1 4.4Å; E850-F879 HydrophobicContact CB-CE1 3.3Å; E850-F879 HydrophobicContact CB-CZ 3.45Å; E850-F879 VanDerWaalsContact CB-CZ 3.45Å; E850-F879 HydrophobicContact CG-CE1 4.05Å; L851-F879 HydrophobicContact CD2-CD2 3.41Å; L851-F879 VanDerWaalsContact CD2-CD2 3.41Å; L851-F879 HydrophobicContact CD2-CE2 3.63Å; L851-F879 HydrophobicContact CD2-CG 4.18Å; L851-F879 HydrophobicContact CG-CD2 4.02Å; L851-F879 HydrophobicContact CG-CE2 4.17Å; L851-F879 HydrophobicContact CG-CG 4.38Å; L875-F879 HydrophobicContact CB-CE2 4.38Å; L875-F879 WeakPolarHBondContact O-CD2 3.33Å; L875-F879 PolarHBondContact O-N 2.68Å; L875-F879 VanDerWaalsContact O-N 3.09Å; F879-S881 VanDerWaalsContact C-N 3.26Å; F879-S881 PolarHBondContact O-N 3.05Å; F879-A882 PolarHBondContact O-N 3.39Å; F879-I883 WeakPolarHBondContact O-CG1 3.19Å; F879-I883 PolarHBondContact O-N 3.41Å
880	T	78.7	Confident	82.6	Confident	69 Å²	69	69 Å²	69	42%	0.423	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-39.1	176.7	-50.3	0	0	0	0	110.7	L876 R877 G878 A884	L876-T880 PolarHBondContact O-N 3Å; L876-T880 VanDerWaalsContact O-N 3.09Å; L876-T880 PolarHBondContact O-OG1 3.22Å; R877-T880 PolarHBondContact O-N 2.77Å; G878-T880 VanDerWaalsContact C-N 3.34Å; G878-T880 PolarHBondContact O-N 3Å; T880-A884 WeakPolarHBondContact O-CB 3.48Å; T880-A884 PolarHBondContact O-N 3.07Å; T880-A884 VanDerWaalsContact O-N 3.11Å
881	S	75.3	Confident	81.8	Confident	77 Å²	77	70.2 Å²	70.2	54%	0.538	44%	0.437	S	S	.	.	H	α-helix	trans	-68.8	-40.7	178.1	-50.2	0	0	0	0	111.7	R877 G878 F879 A884 S885	R877-S881 PolarHBondContact O-N 2.94Å; R877-S881 PolarHBondContact O-OG 2.91Å; G878-S881 WeakPolarHBondContact O-CB 3.5Å; G878-S881 PolarHBondContact O-N 2.76Å; G878-S881 VanDerWaalsContact O-N 3.16Å; F879-S881 VanDerWaalsContact C-N 3.26Å; F879-S881 PolarHBondContact O-N 3.05Å; S881-A884 PolarHBondContact O-N 3.01Å; S881-S885 PolarHBondContact O-N 3.28Å; S881-S885 PolarHBondContact O-OG 2.93Å
882	A	71.3	Confident	80.7	Confident	52 Å²	52	69.5 Å²	69.5	43%	0.43	44%	0.437	S	S	.	.	H	α-helix	trans	-61.9	-48.2	176.2	0	0	0	0	0	112	G878 F879 A884 S885 S886	G878-A882 PolarHBondContact O-N 3.42Å; F879-A882 PolarHBondContact O-N 3.39Å; A882-A884 VanDerWaalsContact C-N 3.28Å; A882-A884 PolarHBondContact O-N 2.84Å; A882-S885 WeakPolarHBondContact CA-OG 3.14Å; A882-S885 PolarHBondContact O-N 3.45Å; A882-S885 PolarHBondContact O-OG 3.44Å; A882-S886 PolarHBondContact O-N 3.05Å
883	I	69.5	Low	79.5	Confident	62 Å²	62	74.4 Å²	74.4	32%	0.318	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-32	177.7	-65.4	171	0	0	0	111.9	L715 F879 S885 S886	L715-I883 HydrophobicContact CD2-CD1 3.76Å; F879-I883 WeakPolarHBondContact O-CG1 3.19Å; F879-I883 PolarHBondContact O-N 3.41Å; I883-S885 VanDerWaalsContact C-N 3.26Å; I883-S885 PolarHBondContact O-N 3.37Å; I883-S886 PolarHBondContact O-OG 2.75Å; I883-S886 VanDerWaalsContact O-OG 3.06Å
884	A	63.3	Low	78.2	Confident	88 Å²	88	76.8 Å²	76.8	73%	0.727	49%	0.492	S	S	*	.	H	α-helix	trans	-76	-13.4	175.1	0	0	0	0	0	113.7	T880 S881 A882	T880-A884 WeakPolarHBondContact O-CB 3.48Å; T880-A884 PolarHBondContact O-N 3.07Å; T880-A884 VanDerWaalsContact O-N 3.11Å; S881-A884 PolarHBondContact O-N 3.01Å; A882-A884 VanDerWaalsContact C-N 3.28Å; A882-A884 PolarHBondContact O-N 2.84Å
885	S	59.7	Low	76.8	Confident	104 Å²	104	76.3 Å²	76.3	73%	0.727	49%	0.485	S	S	*	.	H	α-helix	trans	-101.4	-5.7	178.6	66.6	0	0	0	0	114.4	S881 A882 I883	S881-S885 PolarHBondContact O-N 3.28Å; S881-S885 PolarHBondContact O-OG 2.93Å; A882-S885 WeakPolarHBondContact CA-OG 3.14Å; A882-S885 PolarHBondContact O-N 3.45Å; A882-S885 PolarHBondContact O-OG 3.44Å; I883-S885 VanDerWaalsContact C-N 3.26Å; I883-S885 PolarHBondContact O-N 3.37Å
886	S	50.5	Low	75.2	Confident	146 Å²	146	75.5 Å²	75.5	100%	1.021	49%	0.488	S	S	*	.			trans	-103.6	0	176.6	62.9	0	0	0	0	112	A882 I883	A882-S886 PolarHBondContact O-N 3.05Å; I883-S886 PolarHBondContact O-OG 2.75Å; I883-S886 VanDerWaalsContact O-OG 3.06Å

Retrieved 886 of 886 residues in 332.9 ms (Link to these results)

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