A0A075BJJ3_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BJJ3, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 aa.

						>A0A075BJJ3_DROME|A0A075BJJ3|fs(1)Yb
MEPIGDLQVPSFKVVSGGTTFTYASPKSGAASLDFLAHTLRKREANTEKTILICQQNFEAERLKFELAERDVNTILLPPHGAMVGQVLLLWSKGYINQALILCDGMLEHLGVVEANLVIHTTLPELNKFEERLKWLSISARNAEMLVITPCDEENEKEGKGETEPEIVQQRMPLKVDALNSMQLYEIKENTPPTSSEDYKAEADVLLSAATPATIPNDNKEQEINLSVEDATEKLLASFELGSTDSAAVDESSPAAAKFNAPVYSPFVTENPTKSLDAEFQELVKSFKVQNVFKNMNLPPPPSVSIEEPVSSASASDYRHQIDTTSLDSIRTVKDSPASLAVVPFSAGGITYNNYGVLGWSRHAVVPCYGLTEAPDISTIIRRAMQQMGVARSRARAVQRFAWPHVSLGKSVLVVGNLQIGKTWSYLPTVCQRSHEDLQRRPDVGRGPTCIFVCPNQGQGKQIERWMSTLLCLLGSASGFEDVVTHWDKTQLVDIVRRLKKPVGILLTSVDLLLQLLNHNPVGSIFDAQAVKCIALDNLNDMVRVLPNDTMKLLQRLPEMFQLTQNKCQLLVSGRIWHTDLMVQHILPLMPDVLVLFDDALEASVYGGVQLDVRVVADEPEKIEHLKALIAERRNFANEPAVMVCSNSTEVLLLRRSLQAIGVNAHICVSEACYSNVAEWLRQSPSGLLLVTDDVVPRLKCGKIPLLIHYSFASMWARFKNRFSLFYANLKSPTTRPVGQSVVFAKPTDVENIWKLCDFYMKHKLPRPGHLLGILSQRRLEEQELHQPTSRSLCHQMAAFGDCLRHKCMYRHVMWRDEVLPPDHYPKNGLIRFLVLVCYSPAALAVRLSDQFPTAIRFLNFPMSDLGERVQRHYELEANRHMHPNPVPGEMAVVKNINRYERVHIVSVESNAMVLVQLLDTSTECFSYKTSQLYSCVEIFKDSPREAMDLRILGLQPESLDRIWPDDARNLVRKDFFRRTHNKRNRQFHAVVQSAIHRTIFVRNIYDDEGNDLLSFVINRFRSHQDECCQLKLDAMVMSSKDCPYM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	49.3	Very low	244 Å²	244	117.9 Å²	117.9	100%	1.202	66%	0.656	S	S	*	*				0	121.8	0	-83.3	170.4	159.7	0	0	106.8
2	E	21.4	Very low	51.5	Low	177 Å²	177	117.4 Å²	117.4	83%	0.827	64%	0.642	S	S	*	*			trans	-80.6	158.1	165.6	-67.6	177.9	140.3	0	0	109.1	I4	E2-I4 PolarHBondContact O-N 3.45Å
3	P	25.9	Very low	54	Low	131 Å²	131	118.2 Å²	118.2	85%	0.851	64%	0.635	S	S	*	*			trans	-67.8	113.6	175.5	27.7	-33.4	0	0	0	110.1	G5	P3-G5 PolarHBondContact O-N 3.49Å
4	I	32.7	Very low	55.8	Low	147 Å²	147	114 Å²	114	75%	0.754	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-65.4	120.7	172.2	-57.7	174.6	0	0	0	107.8	E2 L7	E2-I4 PolarHBondContact O-N 3.45Å; I4-L7 HydrophobicContact CG2-CD1 4.06Å
5	G	32.8	Very low	57	Low	55 Å²	55	113.3 Å²	113.3	57%	0.567	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-63.1	163.9	177.6	0	0	0	0	0	113.1	P3 L7	P3-G5 PolarHBondContact O-N 3.49Å; G5-L7 PolarHBondContact O-N 3.29Å
6	D	42	Very low	57.5	Low	103 Å²	103	110.8 Å²	110.8	55%	0.551	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-55.8	120.3	179.9	-86.5	-18.5	0	0	0	111.8	Q8 H38 K42	D6-Q8 PolarHBondContact O-N 2.96Å; D6-H38 IonicContact OD1-CE1 2.72Å; D6-H38 PolarHBondContact OD1-CE1 2.84Å; D6-H38 IonicContact OD1-NE2 2.99Å; D6-H38 PolarHBondContact OD1-NE2 3.24Å; D6-K42 IonicContact OD1-NZ 3.58Å; D6-K42 PolarHBondContact OD1-NZ 3.3Å; D6-K42 IonicContact OD2-NZ 2.67Å; D6-K42 PolarHBondContact OD2-NZ 2.92Å
7	L	55.1	Low	57.8	Low	58 Å²	58	109.2 Å²	109.2	30%	0.304	63%	0.625	S	S	.	*			trans	-68.6	96.7	174.4	-86.2	79	0	0	0	109.5	I4 G5 V9 D34 F35	I4-L7 HydrophobicContact CG2-CD1 4.06Å; G5-L7 PolarHBondContact O-N 3.29Å; L7-V9 PolarHBondContact O-N 3.43Å; L7-D34 HydrophobicContact CD2-CB 4.09Å; L7-F35 HydrophobicContact CD2-CB 4.44Å
8	Q	61.3	Low	58.2	Low	192 Å²	192	107.2 Å²	107.2	90%	0.897	63%	0.632	S	S	*	*			trans	-70.7	117.3	166.5	-67.9	-168.3	-0.8	0	0	109.6	D6	D6-Q8 PolarHBondContact O-N 2.96Å
9	V	77.1	Confident	58.9	Low	29 Å²	29	104 Å²	104	18%	0.176	61%	0.614	C	S	.	*			trans	-117.4	134.5	176.3	171	0	0	0	0	107.9	L7 S11 A24 P26 F35	L7-V9 PolarHBondContact O-N 3.43Å; V9-S11 PolarHBondContact O-N 2.78Å; V9-A24 HydrophobicContact CG1-CB 4.13Å; V9-P26 HydrophobicContact CG1-CB 4.25Å; V9-P26 HydrophobicContact CG1-CG 3.91Å; V9-P26 HydrophobicContact CG2-CB 4.47Å; V9-F35 HydrophobicContact CB-CD2 4.02Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CG2-CB 4.09Å; V9-F35 HydrophobicContact CG2-CD2 3.46Å; V9-F35 VanDerWaalsContact CG2-CD2 3.46Å; V9-F35 HydrophobicContact CG2-CE2 4.02Å; V9-F35 HydrophobicContact CG2-CG 3.82Å
10	P	80.1	Confident	59.8	Low	81 Å²	81	101.8 Å²	101.8	53%	0.526	60%	0.601	S	S	.	*			trans	-52.3	128.3	172.4	-26.2	34.3	0	0	0	110.9	A24 S25	P10-A24 WeakPolarHBondContact O-CA 3.44Å; P10-S25 PolarHBondContact O-N 2.97Å
11	S	81.9	Confident	60.9	Low	80 Å²	80	97.4 Å²	97.4	56%	0.559	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-149.1	148.7	-179.8	72.3	0	0	0	0	112.6	V9 Y23	V9-S11 PolarHBondContact O-N 2.78Å; S11-Y23 CarbonylContact C-O 3.56Å; S11-Y23 WeakPolarHBondContact CA-O 3.26Å; S11-Y23 WeakPolarHBondContact CB-O 3.37Å
12	F	76.3	Confident	63.5	Low	112 Å²	112	86.4 Å²	86.4	49%	0.491	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.8	175.3	64.3	-85.4	0	0	0	110.4	V14 T22 Y23	F12-V14 HydrophobicContact CD2-CG2 3.77Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; F12-T22 WeakPolarHBondContact O-CA 3.22Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.23Å; F12-Y23 AromaticContact CE2-CD2 3.73Å; F12-Y23 HydrophobicContact CE2-CD2 3.73Å; F12-Y23 AromaticContact CE2-CG 3.89Å; F12-Y23 HydrophobicContact CE2-CG 3.89Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.3Å; F12-Y23 HydrophobicContact CZ-CD2 4.02Å; F12-Y23 AromaticContact CZ-CG 3.67Å; F12-Y23 HydrophobicContact CZ-CG 3.67Å; F12-Y23 PolarHBondContact N-O 3.34Å; F12-Y23 PolarHBondContact O-N 3.44Å
13	K	83.4	Confident	66.5	Low	128 Å²	128	80.2 Å²	80.2	56%	0.557	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.1	179.7	-62.8	-158.8	175.5	-148.4	0	111.5	T20 F21 T22 E144	K13-T20 HydrophobicContact CB-CG2 4.29Å; K13-T20 HydrophobicContact CD-CG2 3.99Å; K13-F21 CarbonylContact C-O 3.56Å; K13-F21 VanDerWaalsContact CA-O 3.28Å; K13-F21 WeakPolarHBondContact CA-O 3.22Å; K13-T22 WeakPolarHBondContact CE-OG1 3.21Å; K13-T22 HydrophobicContact CG-CG2 4.17Å; K13-T22 PolarHBondContact NZ-OG1 2.94Å; K13-T22 VanDerWaalsContact NZ-OG1 3.11Å; K13-E144 IonicContact NZ-OE1 3.87Å; K13-E144 PolarHBondContact NZ-OE1 3.06Å
14	V	79.5	Confident	69.4	Low	59 Å²	59	74 Å²	74	36%	0.358	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.9	176.4	-177.5	0	0	0	0	108.4	F12 F21 Y23	F12-V14 HydrophobicContact CD2-CG2 3.77Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; V14-F21 PolarHBondContact N-O 3.02Å; V14-F21 PolarHBondContact O-N 2.84Å; V14-Y23 HydrophobicContact CB-CE2 4.18Å; V14-Y23 HydrophobicContact CG2-CD2 4.1Å; V14-Y23 HydrophobicContact CG2-CE2 4.03Å
15	V	73.9	Confident	71.8	Confident	104 Å²	104	68.2 Å²	68.2	63%	0.63	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	122	173.2	-176.6	0	0	0	0	108.6	T19	V15-T19 WeakPolarHBondContact CA-O 3.44Å
16	S	64.8	Low	74.2	Confident	72 Å²	72	65.7 Å²	65.7	50%	0.503	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.9	177.1	-174.5	0	0	0	0	110.3	G18 T19	S16-G18 PolarHBondContact O-N 3.33Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact N-O 3.49Å; S16-T19 PolarHBondContact O-N 3.16Å; S16-T19 VanDerWaalsContact O-O 3.14Å
17	G	62	Low	75.9	Confident	85 Å²	85	68.1 Å²	68.1	88%	0.876	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	24.8	-177.6	0	0	0	0	0	114.8	T19	G17-T19 VanDerWaalsContact C-N 3.27Å; G17-T19 PolarHBondContact O-N 2.99Å
18	G	64.6	Low	77	Confident	72 Å²	72	67.8 Å²	67.8	74%	0.742	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	1.2	-173.2	0	0	0	0	0	115.2	S16	S16-G18 PolarHBondContact O-N 3.33Å; S16-G18 VanDerWaalsContact O-N 3.11Å
19	T	72	Confident	77.7	Confident	47 Å²	47	60.9 Å²	60.9	29%	0.288	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.8	175.9	-55.7	0	0	0	0	110.4	V15 S16 G17 F21 M145	V15-T19 WeakPolarHBondContact CA-O 3.44Å; S16-T19 PolarHBondContact N-O 3.49Å; S16-T19 PolarHBondContact O-N 3.16Å; S16-T19 VanDerWaalsContact O-O 3.14Å; G17-T19 VanDerWaalsContact C-N 3.27Å; G17-T19 PolarHBondContact O-N 2.99Å; T19-F21 HydrophobicContact CG2-CE2 3.98Å; T19-F21 HydrophobicContact CG2-CZ 4.14Å; T19-M145 HydrophobicContact CG2-CB 4.43Å; T19-M145 HydrophobicContact CG2-CE 4.15Å; T19-M145 HydrophobicContact CG2-CG 3.43Å; T19-M145 VanDerWaalsContact CG2-CG 3.43Å
20	T	76.7	Confident	77.8	Confident	59 Å²	59	62 Å²	62	36%	0.362	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.4	177.2	-57	0	0	0	0	110.5	K13 M145	K13-T20 HydrophobicContact CB-CG2 4.29Å; K13-T20 HydrophobicContact CD-CG2 3.99Å; T20-M145 PolarHBondContact O-N 3.42Å
21	F	83.2	Confident	77.9	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.048	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.3	173.1	-64.6	-93.9	0	0	0	109.7	K13 V14 T19 Y23 F129 L133 M145 V147	K13-F21 CarbonylContact C-O 3.56Å; K13-F21 VanDerWaalsContact CA-O 3.28Å; K13-F21 WeakPolarHBondContact CA-O 3.22Å; V14-F21 PolarHBondContact N-O 3.02Å; V14-F21 PolarHBondContact O-N 2.84Å; T19-F21 HydrophobicContact CG2-CE2 3.98Å; T19-F21 HydrophobicContact CG2-CZ 4.14Å; F21-Y23 HydrophobicContact CB-CD2 4.16Å; F21-Y23 HydrophobicContact CB-CE2 3.58Å; F21-Y23 HydrophobicContact CG-CE2 4.44Å; F21-F129 HydrophobicContact CE1-CZ 4.38Å; F21-L133 HydrophobicContact CE1-CD1 4.48Å; F21-L133 HydrophobicContact CE1-CD2 3.72Å; F21-L133 HydrophobicContact CZ-CD1 3.96Å; F21-L133 HydrophobicContact CZ-CD2 3.65Å; F21-L133 HydrophobicContact CZ-CG 4.48Å; F21-M145 CarbonylContact C-O 3.2Å; F21-M145 WeakPolarHBondContact CA-O 3.49Å; F21-M145 HydrophobicContact CB-CB 4.48Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.92Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.6Å; F21-M145 HydrophobicContact CE1-SD 4.35Å; F21-M145 HydrophobicContact CG-CB 3.98Å; F21-M145 HydrophobicContact CZ-CB 4.38Å; F21-M145 HydrophobicContact CZ-CG 4.03Å; F21-V147 HydrophobicContact CD1-CG2 4.12Å
22	T	87.3	Confident	78	Confident	13 Å²	13	56.2 Å²	56.2	8%	0.08	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.9	165.1	-50.3	0	0	0	0	107.8	F12 K13 M145 L146 V147	F12-T22 WeakPolarHBondContact O-CA 3.22Å; K13-T22 WeakPolarHBondContact CE-OG1 3.21Å; K13-T22 HydrophobicContact CG-CG2 4.17Å; K13-T22 PolarHBondContact NZ-OG1 2.94Å; K13-T22 VanDerWaalsContact NZ-OG1 3.11Å; T22-M145 PolarHBondContact N-O 3.43Å; T22-L146 HydrophobicContact CG2-CD1 4.17Å; T22-L146 CarbonylContact O-C 3.51Å; T22-L146 WeakPolarHBondContact O-CA 3.34Å; T22-V147 PolarHBondContact O-N 3.27Å
23	Y	83.7	Confident	78.6	Confident	47 Å²	47	52 Å²	52	18%	0.184	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.4	169.9	-71	-97	0	0	0	108.2	S11 F12 V14 F21 V147	S11-Y23 CarbonylContact C-O 3.56Å; S11-Y23 WeakPolarHBondContact CA-O 3.26Å; S11-Y23 WeakPolarHBondContact CB-O 3.37Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.23Å; F12-Y23 AromaticContact CE2-CD2 3.73Å; F12-Y23 HydrophobicContact CE2-CD2 3.73Å; F12-Y23 AromaticContact CE2-CG 3.89Å; F12-Y23 HydrophobicContact CE2-CG 3.89Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.3Å; F12-Y23 HydrophobicContact CZ-CD2 4.02Å; F12-Y23 AromaticContact CZ-CG 3.67Å; F12-Y23 HydrophobicContact CZ-CG 3.67Å; F12-Y23 PolarHBondContact N-O 3.34Å; F12-Y23 PolarHBondContact O-N 3.44Å; V14-Y23 HydrophobicContact CB-CE2 4.18Å; V14-Y23 HydrophobicContact CG2-CD2 4.1Å; V14-Y23 HydrophobicContact CG2-CE2 4.03Å; F21-Y23 HydrophobicContact CB-CD2 4.16Å; F21-Y23 HydrophobicContact CB-CE2 3.58Å; F21-Y23 HydrophobicContact CG-CE2 4.44Å; Y23-V147 WeakPolarHBondContact CA-O 3.38Å; Y23-V147 HydrophobicContact CD1-CB 3.67Å; Y23-V147 HydrophobicContact CD1-CG1 3.7Å; Y23-V147 HydrophobicContact CD1-CG2 4.25Å; Y23-V147 HydrophobicContact CE1-CB 3.79Å; Y23-V147 HydrophobicContact CE1-CG1 3.67Å; Y23-V147 HydrophobicContact CE1-CG2 3.94Å; Y23-V147 HydrophobicContact CG-CB 4.23Å
24	A	85.8	Confident	78.7	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.5	176.1	0	0	0	0	0	109.5	V9 P10 P26 F35 L146 V147 T149	V9-A24 HydrophobicContact CG1-CB 4.13Å; P10-A24 WeakPolarHBondContact O-CA 3.44Å; A24-P26 WeakPolarHBondContact O-CD 3.33Å; A24-F35 HydrophobicContact CB-CE1 3.76Å; A24-F35 HydrophobicContact CB-CZ 3.98Å; A24-L146 HydrophobicContact CB-CD1 4.1Å; A24-V147 PolarHBondContact N-O 3.23Å; A24-T149 PolarHBondContact O-N 3.47Å; A24-T149 PolarHBondContact O-OG1 3.46Å
25	S	83.8	Confident	79	Confident	24 Å²	24	47.8 Å²	47.8	17%	0.168	32%	0.323	C	S	.	.			trans	-122.1	81.9	-173	-58.1	0	0	0	0	113.1	P10 T149	P10-S25 PolarHBondContact O-N 2.97Å; S25-T149 VanDerWaalsContact CA-O 3.31Å; S25-T149 WeakPolarHBondContact CA-O 3.31Å; S25-T149 PolarHBondContact OG-OG1 3.35Å
26	P	83.6	Confident	79.7	Confident	2 Å²	2	43 Å²	43	1%	0.013	29%	0.294	C	S	.	.			trans	-74.4	138.4	178.2	-12	29	0	0	0	111.6	V9 A24 S28 A31 S32 F35 I148 T149 C151	V9-P26 HydrophobicContact CG1-CB 4.25Å; V9-P26 HydrophobicContact CG1-CG 3.91Å; V9-P26 HydrophobicContact CG2-CB 4.47Å; A24-P26 WeakPolarHBondContact O-CD 3.33Å; P26-S28 PolarHBondContact O-N 3.04Å; P26-A31 HydrophobicContact CB-CB 4.02Å; P26-S32 WeakPolarHBondContact CB-OG 3.48Å; P26-S32 WeakPolarHBondContact CG-OG 3.02Å; P26-F35 HydrophobicContact CG-CD1 4.27Å; P26-I148 HydrophobicContact CG-CG2 3.96Å; P26-T149 WeakPolarHBondContact CD-O 3.42Å; P26-C151 WeakPolarHBondContact O-CB 3.3Å; P26-C151 PolarHBondContact O-N 3.35Å
27	K	76.8	Confident	80.8	Confident	155 Å²	155	39.6 Å²	39.6	67%	0.674	27%	0.27	S	S	*	.	S	Bend	trans	-60.7	-5.4	-172.5	-62.6	-168.4	175.4	-167.7	0	117.2
28	S	78.5	Confident	81.9	Confident	51 Å²	51	37.2 Å²	37.2	36%	0.357	24%	0.236	S	C	.	.	S	Bend	trans	-167.6	162.4	175.8	67.6	0	0	0	0	110.5	P26 A30 A31 S32	P26-S28 PolarHBondContact O-N 3.04Å; S28-A30 PolarHBondContact O-N 2.74Å; S28-A31 PolarHBondContact O-N 3.17Å; S28-A31 VanDerWaalsContact O-N 3.07Å; S28-A31 PolarHBondContact OG-N 3.46Å; S28-S32 PolarHBondContact O-N 3.18Å; S28-S32 PolarHBondContact O-OG 3.47Å
29	G	77.6	Confident	82.9	Confident	47 Å²	47	34.6 Å²	34.6	49%	0.485	21%	0.206	S	C	.	.	H	α-helix	trans	-57.5	-28.4	173.5	0	0	0	0	0	114.3	L33	G29-L33 WeakPolarHBondContact O-CD1 3.44Å; G29-L33 WeakPolarHBondContact O-CG 3.35Å; G29-L33 PolarHBondContact O-N 3.36Å
30	A	79.3	Confident	83.6	Confident	52 Å²	52	33.3 Å²	33.3	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-70.4	-49	172.5	0	0	0	0	0	111.2	S28 S32 L33 D34	S28-A30 PolarHBondContact O-N 2.74Å; A30-S32 PolarHBondContact O-N 3.46Å; A30-L33 PolarHBondContact O-N 2.9Å; A30-D34 VanDerWaalsContact O-CG 3.31Å; A30-D34 PolarHBondContact O-N 2.84Å
31	A	80.4	Confident	83.8	Confident	26 Å²	26	37.1 Å²	37.1	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-32.6	175.6	0	0	0	0	0	112.3	P26 S28 D34 F35	P26-A31 HydrophobicContact CB-CB 4.02Å; S28-A31 PolarHBondContact O-N 3.17Å; S28-A31 VanDerWaalsContact O-N 3.07Å; S28-A31 PolarHBondContact OG-N 3.46Å; A31-D34 PolarHBondContact O-N 3.47Å; A31-F35 WeakPolarHBondContact O-CB 3.43Å; A31-F35 PolarHBondContact O-N 3.39Å
32	S	84.5	Confident	83.4	Confident	13 Å²	13	42.5 Å²	42.5	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-41.9	172.9	-63.5	0	0	0	0	112.9	P26 S28 A30 L36	P26-S32 WeakPolarHBondContact CB-OG 3.48Å; P26-S32 WeakPolarHBondContact CG-OG 3.02Å; S28-S32 PolarHBondContact O-N 3.18Å; S28-S32 PolarHBondContact O-OG 3.47Å; A30-S32 PolarHBondContact O-N 3.46Å; S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 PolarHBondContact O-N 3.13Å
33	L	88.9	Confident	82.4	Confident	25 Å²	25	45.1 Å²	45.1	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-73.9	-33.5	178.4	-66.6	163.6	0	0	0	111.9	G29 A30 A37 L63 E66 R70	G29-L33 WeakPolarHBondContact O-CD1 3.44Å; G29-L33 WeakPolarHBondContact O-CG 3.35Å; G29-L33 PolarHBondContact O-N 3.36Å; A30-L33 PolarHBondContact O-N 2.9Å; L33-A37 VanDerWaalsContact O-CB 3.27Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.01Å; L33-L63 HydrophobicContact CD2-CD1 3.69Å; L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 3.98Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.49Å; L33-E66 HydrophobicContact CD2-CB 3.91Å; L33-E66 HydrophobicContact CD2-CG 4.47Å; L33-R70 VanDerWaalsContact CB-CZ 3.5Å
34	D	85.1	Confident	81	Confident	70 Å²	70	49.6 Å²	49.6	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-72.3	-42.3	176.1	-62	-27.2	0	0	0	111.8	L7 A30 A31 A37 H38 R70	L7-D34 HydrophobicContact CD2-CB 4.09Å; A30-D34 VanDerWaalsContact O-CG 3.31Å; A30-D34 PolarHBondContact O-N 2.84Å; A31-D34 PolarHBondContact O-N 3.47Å; D34-A37 PolarHBondContact O-N 2.8Å; D34-H38 WeakPolarHBondContact O-CB 3.33Å; D34-H38 PolarHBondContact O-N 2.82Å; D34-R70 IonicContact OD1-CZ 3.6Å; D34-R70 IonicContact OD1-NE 3.83Å; D34-R70 PolarHBondContact OD1-NE 3.23Å; D34-R70 IonicContact OD1-NH2 2.72Å; D34-R70 PolarHBondContact OD1-NH2 3.14Å
35	F	86.9	Confident	79.4	Confident	28 Å²	28	53 Å²	53	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-44.1	171.3	171.9	-108	0	0	0	111.8	L7 V9 A24 P26 A31 H38 T39 L146 I148	L7-F35 HydrophobicContact CD2-CB 4.44Å; V9-F35 HydrophobicContact CB-CD2 4.02Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CG2-CB 4.09Å; V9-F35 HydrophobicContact CG2-CD2 3.46Å; V9-F35 VanDerWaalsContact CG2-CD2 3.46Å; V9-F35 HydrophobicContact CG2-CE2 4.02Å; V9-F35 HydrophobicContact CG2-CG 3.82Å; A24-F35 HydrophobicContact CB-CE1 3.76Å; A24-F35 HydrophobicContact CB-CZ 3.98Å; P26-F35 HydrophobicContact CG-CD1 4.27Å; A31-F35 WeakPolarHBondContact O-CB 3.43Å; A31-F35 PolarHBondContact O-N 3.39Å; F35-H38 PolarHBondContact O-N 2.92Å; F35-T39 WeakPolarHBondContact O-CB 3.21Å; F35-T39 PolarHBondContact O-N 3.06Å; F35-T39 PolarHBondContact O-OG1 2.79Å; F35-L146 HydrophobicContact CE1-CD2 4.4Å; F35-I148 HydrophobicContact CD1-CD1 4.09Å; F35-I148 HydrophobicContact CE1-CD1 4.25Å; F35-I148 HydrophobicContact CE1-CG1 4.37Å
36	L	89.3	Confident	77.9	Confident	4 Å²	4	58 Å²	58	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-44.9	176.8	-177.3	58	0	0	0	111.6	S32 H38 T39 L40 L52 L63 L67 I119 T121 I148	S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 PolarHBondContact O-N 3.13Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.48Å; L36-T39 PolarHBondContact O-N 3.2Å; L36-L40 HydrophobicContact CD1-CD1 4.09Å; L36-L40 HydrophobicContact CD1-CG 4.32Å; L36-L40 HydrophobicContact CG-CD1 4.04Å; L36-L40 WeakPolarHBondContact O-CB 3.17Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.34Å; L36-L40 PolarHBondContact O-N 3.1Å; L36-L52 HydrophobicContact CD1-CD2 3.78Å; L36-L52 HydrophobicContact CD2-CD2 4.04Å; L36-L52 HydrophobicContact CG-CD2 4.31Å; L36-L63 HydrophobicContact CD2-CD1 3.75Å; L36-L67 HydrophobicContact CD2-CD1 4.27Å; L36-L67 HydrophobicContact CD2-CD2 4.23Å; L36-L67 HydrophobicContact CG-CD2 4.13Å; L36-I119 HydrophobicContact CD1-CD1 3.58Å; L36-I119 HydrophobicContact CD1-CG2 3.91Å; L36-T121 HydrophobicContact CD2-CG2 3.88Å; L36-I148 HydrophobicContact CB-CD1 4.13Å; L36-I148 HydrophobicContact CD1-CD1 3.88Å; L36-I148 HydrophobicContact CG-CD1 4.43Å
37	A	87.9	Confident	76.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-38.3	175.3	0	0	0	0	0	112.1	L33 D34 R41 L67 R70 V72	L33-A37 VanDerWaalsContact O-CB 3.27Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.01Å; D34-A37 PolarHBondContact O-N 2.8Å; A37-R41 WeakPolarHBondContact O-CB 3.41Å; A37-R41 VanDerWaalsContact O-CG 3.28Å; A37-R41 WeakPolarHBondContact O-CG 3.48Å; A37-R41 PolarHBondContact O-N 2.74Å; A37-L67 HydrophobicContact CB-CD2 4.09Å; A37-R70 HydrophobicContact CB-CB 3.82Å; A37-R70 HydrophobicContact CB-CG 4.44Å; A37-V72 HydrophobicContact CB-CG2 3.87Å
38	H	84.9	Confident	76.4	Confident	35 Å²	35	58 Å²	58	16%	0.162	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-47.5	172.9	178.2	96.3	0	0	0	111.5	D6 D34 F35 L36 L40 R41 K42	D6-H38 IonicContact OD1-CE1 2.72Å; D6-H38 PolarHBondContact OD1-CE1 2.84Å; D6-H38 IonicContact OD1-NE2 2.99Å; D6-H38 PolarHBondContact OD1-NE2 3.24Å; D34-H38 WeakPolarHBondContact O-CB 3.33Å; D34-H38 PolarHBondContact O-N 2.82Å; F35-H38 PolarHBondContact O-N 2.92Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.48Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 3.35Å; H38-R41 PolarHBondContact O-N 2.76Å; H38-R41 VanDerWaalsContact O-N 3.11Å; H38-K42 VanDerWaalsContact NE2-CD 3.34Å; H38-K42 WeakPolarHBondContact NE2-CD 3.5Å; H38-K42 WeakPolarHBondContact O-CB 3.12Å; H38-K42 PolarHBondContact O-N 3.33Å
39	T	85	Confident	76.6	Confident	17 Å²	17	57.3 Å²	57.3	10%	0.104	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-45	177.2	-59.6	0	0	0	0	111.9	F35 L36 R41 K42 R43 L146	F35-T39 WeakPolarHBondContact O-CB 3.21Å; F35-T39 PolarHBondContact O-N 3.06Å; F35-T39 PolarHBondContact O-OG1 2.79Å; L36-T39 PolarHBondContact O-N 3.2Å; T39-R41 VanDerWaalsContact C-N 3.33Å; T39-R41 PolarHBondContact O-N 2.88Å; T39-K42 PolarHBondContact O-N 3.34Å; T39-R43 PolarHBondContact O-N 2.96Å; T39-L146 HydrophobicContact CG2-CD2 4.26Å
40	L	85.8	Confident	77.1	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-74.3	-17.3	179.3	-67	171.2	0	0	0	114.1	L36 H38 T50 L52 L67 V72 A99 I119	L36-L40 HydrophobicContact CD1-CD1 4.09Å; L36-L40 HydrophobicContact CD1-CG 4.32Å; L36-L40 HydrophobicContact CG-CD1 4.04Å; L36-L40 WeakPolarHBondContact O-CB 3.17Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.34Å; L36-L40 PolarHBondContact O-N 3.1Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 3.35Å; L40-T50 HydrophobicContact CD2-CG2 3.76Å; L40-L52 HydrophobicContact CD1-CD1 4.03Å; L40-L52 HydrophobicContact CD1-CD2 4.24Å; L40-L67 HydrophobicContact CD1-CD1 3.94Å; L40-L67 HydrophobicContact CD1-CD2 4.21Å; L40-V72 HydrophobicContact CB-CG1 3.79Å; L40-V72 HydrophobicContact CD1-CG1 3.87Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; L40-A99 HydrophobicContact CD2-CB 3.89Å; L40-I119 HydrophobicContact CD2-CD1 4.2Å
41	R	81.4	Confident	77.6	Confident	139 Å²	139	53 Å²	53	53%	0.525	27%	0.27	S	S	.	.	H	α-helix	trans	-92.5	-26.2	172	-70.4	-171.4	-135.5	109.6	-11.9	113.4	A37 H38 T39 R70 V72	A37-R41 WeakPolarHBondContact O-CB 3.41Å; A37-R41 VanDerWaalsContact O-CG 3.28Å; A37-R41 WeakPolarHBondContact O-CG 3.48Å; A37-R41 PolarHBondContact O-N 2.74Å; H38-R41 PolarHBondContact O-N 2.76Å; H38-R41 VanDerWaalsContact O-N 3.11Å; T39-R41 VanDerWaalsContact C-N 3.33Å; T39-R41 PolarHBondContact O-N 2.88Å; R41-R70 PolarHBondContact NE-O 3.03Å; R41-R70 PolarHBondContact NH2-O 2.95Å; R41-V72 HydrophobicContact CG-CG2 3.92Å
42	K	74.5	Confident	78.2	Confident	124 Å²	124	51.8 Å²	51.8	54%	0.539	26%	0.26	S	S	.	.	H	α-helix	trans	-83.7	-26	-176.3	-171	163.2	-176	171.2	0	113.3	D6 H38 T39	D6-K42 IonicContact OD1-NZ 3.58Å; D6-K42 PolarHBondContact OD1-NZ 3.3Å; D6-K42 IonicContact OD2-NZ 2.67Å; D6-K42 PolarHBondContact OD2-NZ 2.92Å; H38-K42 VanDerWaalsContact NE2-CD 3.34Å; H38-K42 WeakPolarHBondContact NE2-CD 3.5Å; H38-K42 WeakPolarHBondContact O-CB 3.12Å; H38-K42 PolarHBondContact O-N 3.33Å; T39-K42 PolarHBondContact O-N 3.34Å
43	R	67.2	Low	78.6	Confident	68 Å²	68	51.2 Å²	51.2	26%	0.257	26%	0.256	S	S	.	.	S	Bend	trans	-82.2	139.2	168	-71.7	165.7	178.7	-103.6	8.1	109.6	T39 A45 E48 E144	T39-R43 PolarHBondContact O-N 2.96Å; R43-A45 PolarHBondContact O-N 2.82Å; R43-E48 WeakPolarHBondContact CD-OE2 3.12Å; R43-E48 VanDerWaalsContact CG-OE2 3.31Å; R43-E48 WeakPolarHBondContact CG-OE2 3.36Å; R43-E48 IonicContact CZ-OE2 3.35Å; R43-E48 IonicContact NE-OE2 3.28Å; R43-E48 IonicContact NH1-OE1 3.47Å; R43-E48 IonicContact NH1-OE2 3.17Å; R43-E48 PolarHBondContact NH1-OE2 2.85Å; R43-E144 IonicContact CZ-OE2 3.64Å; R43-E144 IonicContact NH1-OE2 2.69Å; R43-E144 IonicContact NH2-OE2 2.99Å; R43-E144 PolarHBondContact NH2-OE2 2.83Å
44	E	53.6	Low	78.7	Confident	141 Å²	141	50 Å²	50	66%	0.659	25%	0.25	S	C	*	.			trans	-67.7	114.4	-175.7	-73.8	-170.8	157.8	0	0	111.5	N46 T47	E44-N46 PolarHBondContact O-N 3.12Å; E44-T47 WeakPolarHBondContact CB-OG1 3.34Å; E44-T47 PolarHBondContact O-N 3.46Å; E44-T47 VanDerWaalsContact O-N 3.15Å; E44-T47 PolarHBondContact O-OG1 3.34Å
45	A	53.2	Low	78.8	Confident	73 Å²	73	49.4 Å²	49.4	60%	0.603	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	24.9	-175.8	0	0	0	0	0	115.3	R43 N97	R43-A45 PolarHBondContact O-N 2.82Å; A45-N97 WeakPolarHBondContact O-CB 3.21Å
46	N	52.1	Low	78.8	Confident	128 Å²	128	52.6 Å²	52.6	68%	0.684	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-5.8	175.5	-78.5	-40.2	0	0	0	114.1	E44 N97	E44-N46 PolarHBondContact O-N 3.12Å; N46-N97 PolarHBondContact OD1-ND2 3.07Å
47	T	57	Low	78.6	Confident	91 Å²	91	54.3 Å²	54.3	56%	0.558	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	-30.3	-173.4	45.9	0	0	0	0	113.8	E44	E44-T47 WeakPolarHBondContact CB-OG1 3.34Å; E44-T47 PolarHBondContact O-N 3.46Å; E44-T47 VanDerWaalsContact O-N 3.15Å; E44-T47 PolarHBondContact O-OG1 3.34Å
48	E	70.3	Confident	78.4	Confident	68 Å²	68	60.4 Å²	60.4	32%	0.318	30%	0.296	S	S	.	.			trans	-106.9	119.2	-179.9	-67.7	-170.5	179.4	0	0	113.8	R43 T50 N116	R43-E48 WeakPolarHBondContact CD-OE2 3.12Å; R43-E48 VanDerWaalsContact CG-OE2 3.31Å; R43-E48 WeakPolarHBondContact CG-OE2 3.36Å; R43-E48 IonicContact CZ-OE2 3.35Å; R43-E48 IonicContact NE-OE2 3.28Å; R43-E48 IonicContact NH1-OE1 3.47Å; R43-E48 IonicContact NH1-OE2 3.17Å; R43-E48 PolarHBondContact NH1-OE2 2.85Å; E48-T50 PolarHBondContact O-N 3.38Å; E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.36Å
49	K	83.3	Confident	78.5	Confident	35 Å²	35	60.2 Å²	60.2	15%	0.152	30%	0.295	C	S	.	.			trans	-80.6	108	173.6	-70.4	170.1	-179	165.8	0	110.3	W91 S92 E114 N116 L117	K49-W91 HydrophobicContact CB-CH2 3.72Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.42Å; K49-W91 HydrophobicContact CG-CH2 4.43Å; K49-W91 HydrophobicContact CG-CZ2 4.39Å; K49-S92 WeakPolarHBondContact CE-O 3.31Å; K49-S92 PolarHBondContact NZ-O 3.49Å; K49-E114 WeakPolarHBondContact CD-O 3.3Å; K49-E114 IonicContact NZ-OE2 2.69Å; K49-N116 PolarHBondContact N-OD1 2.85Å; K49-N116 PolarHBondContact O-N 3.37Å; K49-L117 PolarHBondContact O-N 2.88Å
50	T	88.3	Confident	78.7	Confident	10 Å²	10	59.4 Å²	59.4	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.3	-179.9	-59.4	0	0	0	0	112.5	L40 E48 A99 L100 L117 I119	L40-T50 HydrophobicContact CD2-CG2 3.76Å; E48-T50 PolarHBondContact O-N 3.38Å; T50-A99 HydrophobicContact CG2-CB 4.35Å; T50-A99 WeakPolarHBondContact O-CA 3.39Å; T50-L100 PolarHBondContact O-N 3.49Å; T50-L117 CarbonylContact C-O 3.51Å; T50-L117 WeakPolarHBondContact CA-O 3.32Å; T50-L117 HydrophobicContact CG2-CB 4.21Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; T50-I119 HydrophobicContact CG2-CD1 3.84Å; T50-I119 HydrophobicContact CG2-CG1 4.04Å
51	I	90.8	Very high	78.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.4	170.4	-58.1	-178.8	0	0	0	109.7	I53 W91 L100 L102 L110 V113 A115 L117 V118 I119	I51-I53 HydrophobicContact CG2-CD1 4.37Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.33Å; I51-W91 HydrophobicContact CG1-CH2 3.54Å; I51-W91 HydrophobicContact CG1-CZ2 4.14Å; I51-W91 HydrophobicContact CG1-CZ3 4.3Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.27Å; I51-L102 HydrophobicContact CG2-CD2 3.7Å; I51-L102 HydrophobicContact CG2-CG 4.15Å; I51-L110 HydrophobicContact CD1-CD2 4.2Å; I51-V113 HydrophobicContact CD1-CG2 4.49Å; I51-A115 HydrophobicContact CD1-CB 3.72Å; I51-A115 HydrophobicContact CG1-CB 3.93Å; I51-L117 PolarHBondContact N-O 2.83Å; I51-V118 HydrophobicContact CB-CG2 4.35Å; I51-I119 PolarHBondContact O-N 3.2Å
52	L	92.6	Very high	79.1	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.3	178.2	-72.5	152.9	0	0	0	108.1	L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121	L36-L52 HydrophobicContact CD1-CD2 3.78Å; L36-L52 HydrophobicContact CD2-CD2 4.04Å; L36-L52 HydrophobicContact CG-CD2 4.31Å; L40-L52 HydrophobicContact CD1-CD1 4.03Å; L40-L52 HydrophobicContact CD1-CD2 4.24Å; L52-L63 HydrophobicContact CB-CD2 4.36Å; L52-L63 HydrophobicContact CD2-CD2 4.48Å; L52-L67 HydrophobicContact CD1-CD1 4.2Å; L52-T74 HydrophobicContact CD1-CG2 4.14Å; L52-A99 HydrophobicContact CD1-CB 3.66Å; L52-L100 PolarHBondContact N-O 2.97Å; L52-I101 HydrophobicContact CB-CB 4.28Å; L52-I101 HydrophobicContact CB-CG1 3.79Å; L52-I101 HydrophobicContact CB-CG2 4.46Å; L52-I101 HydrophobicContact CD1-CD1 4.32Å; L52-I101 HydrophobicContact CD1-CG1 3.57Å; L52-I101 HydrophobicContact CG-CG1 4.31Å; L52-I101 WeakPolarHBondContact O-CA 3.36Å; L52-L102 PolarHBondContact O-N 3.45Å; L52-I119 HydrophobicContact CD2-CB 4.03Å; L52-I119 HydrophobicContact CD2-CD1 4.03Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.4Å; L52-T121 HydrophobicContact CD2-CG2 3.96Å
53	I	91.7	Very high	79.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.8	-174.8	-49.9	179.4	0	0	0	110.2	I51 L102 L107 V118 I119 T121 L136	I51-I53 HydrophobicContact CG2-CD1 4.37Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I53-L102 WeakPolarHBondContact CA-O 3.44Å; I53-L102 HydrophobicContact CG1-CD1 4.14Å; I53-L102 HydrophobicContact CG2-CD1 4.19Å; I53-L107 HydrophobicContact CD1-CD2 4.21Å; I53-V118 HydrophobicContact CD1-CG1 3.42Å; I53-V118 VanDerWaalsContact CD1-CG1 3.42Å; I53-V118 HydrophobicContact CG1-CG1 4.06Å; I53-I119 PolarHBondContact N-O 3.46Å; I53-T121 PolarHBondContact O-N 2.89Å; I53-T121 PolarHBondContact O-OG1 3.47Å; I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.86Å; I53-L136 HydrophobicContact CD1-CG 4.3Å
54	C	91.1	Very high	81	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	165.6	167.4	-53.1	0	0	0	0	110	E59 A60 L102 C103 D104 T121 T122	C54-E59 HydrophobicContact CB-CB 3.75Å; C54-A60 HydrophobicContact CB-CB 4.15Å; C54-A60 VanDerWaalsContact SG-CA 3.59Å; C54-L102 PolarHBondContact N-O 2.88Å; C54-C103 CarbonylContact O-C 3.56Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.38Å; C54-D104 PolarHBondContact O-N 3.43Å; C54-T121 PolarHBondContact SG-OG1 3.3Å; C54-T122 WeakPolarHBondContact CA-OG1 3.03Å
55	Q	88.8	Confident	82.6	Confident	56 Å²	56	59.2 Å²	59.2	26%	0.262	29%	0.29	S	S	.	.	S	Bend	trans	-76.5	-48.4	171.9	-169.9	-179.1	33.1	0	0	110.1	E59 D104 T122 P124	Q55-E59 PolarHBondContact N-OE2 3.09Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.43Å; Q55-D104 PolarHBondContact O-N 2.62Å; Q55-T122 PolarHBondContact N-OG1 3.04Å; Q55-P124 HydrophobicContact CG-CB 4.19Å
56	Q	86.6	Confident	84.4	Confident	95 Å²	95	57.2 Å²	57.2	44%	0.444	27%	0.268	S	S	.	.	S	Bend	trans	-119.7	154.7	-173	-54.9	-169.6	50.5	0	0	113.7	F58 E59 A60	Q56-F58 VanDerWaalsContact C-N 3.29Å; Q56-F58 HydrophobicContact CB-CD1 3.86Å; Q56-F58 HydrophobicContact CB-CE1 3.78Å; Q56-F58 HydrophobicContact CG-CE1 4.25Å; Q56-F58 PolarHBondContact O-N 3.08Å; Q56-E59 HydrophobicContact CB-CG 4.38Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.49Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.31Å; Q56-E59 PolarHBondContact N-OE1 2.85Å; Q56-E59 PolarHBondContact N-OE2 3.12Å; Q56-E59 WeakPolarHBondContact O-CB 3.48Å; Q56-E59 PolarHBondContact O-N 3.06Å; Q56-E59 VanDerWaalsContact O-N 3.15Å; Q56-A60 PolarHBondContact O-N 3.38Å; Q56-A60 VanDerWaalsContact O-N 3.17Å
57	N	85.3	Confident	86.1	Confident	41 Å²	41	51.1 Å²	51.1	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-31.8	-178.7	179.2	74.7	0	0	0	113.4	E59 A60 E61 P79	N57-E59 VanDerWaalsContact C-N 3.32Å; N57-E59 PolarHBondContact O-N 3.46Å; N57-A60 WeakPolarHBondContact O-CB 3.46Å; N57-A60 PolarHBondContact O-N 3.43Å; N57-E61 PolarHBondContact ND2-OE1 3.23Å; N57-E61 WeakPolarHBondContact O-CG 3.28Å; N57-E61 PolarHBondContact O-N 3.2Å; N57-P79 HydrophobicContact CB-CG 4.19Å; N57-P79 WeakPolarHBondContact OD1-CD 3.46Å
58	F	83.4	Confident	87.4	Confident	127 Å²	127	49.5 Å²	49.5	56%	0.557	23%	0.232	S	C	*	.	H	α-helix	trans	-69.4	-31.7	177.4	78.1	-101.1	0	0	0	112.2	Q56 R62	Q56-F58 VanDerWaalsContact C-N 3.29Å; Q56-F58 HydrophobicContact CB-CD1 3.86Å; Q56-F58 HydrophobicContact CB-CE1 3.78Å; Q56-F58 HydrophobicContact CG-CE1 4.25Å; Q56-F58 PolarHBondContact O-N 3.08Å; F58-R62 WeakPolarHBondContact O-CB 3.38Å; F58-R62 PolarHBondContact O-N 3.44Å
59	E	87.6	Confident	88.1	Confident	31 Å²	31	52.3 Å²	52.3	15%	0.145	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-44.2	171.8	-62.9	158.9	-143.5	0	0	109.7	C54 Q55 Q56 N57 R62 L63 T122	C54-E59 HydrophobicContact CB-CB 3.75Å; Q55-E59 PolarHBondContact N-OE2 3.09Å; Q56-E59 HydrophobicContact CB-CG 4.38Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.49Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.31Å; Q56-E59 PolarHBondContact N-OE1 2.85Å; Q56-E59 PolarHBondContact N-OE2 3.12Å; Q56-E59 WeakPolarHBondContact O-CB 3.48Å; Q56-E59 PolarHBondContact O-N 3.06Å; Q56-E59 VanDerWaalsContact O-N 3.15Å; N57-E59 VanDerWaalsContact C-N 3.32Å; N57-E59 PolarHBondContact O-N 3.46Å; E59-R62 PolarHBondContact O-N 3.06Å; E59-L63 WeakPolarHBondContact O-CB 3.48Å; E59-L63 PolarHBondContact O-N 3.21Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.15Å; E59-T122 PolarHBondContact OE2-OG1 2.88Å
60	A	88.1	Confident	88.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-39.3	178.4	0	0	0	0	0	112.8	C54 Q56 N57 K64 L76 I101	C54-A60 HydrophobicContact CB-CB 4.15Å; C54-A60 VanDerWaalsContact SG-CA 3.59Å; Q56-A60 PolarHBondContact O-N 3.38Å; Q56-A60 VanDerWaalsContact O-N 3.17Å; N57-A60 WeakPolarHBondContact O-CB 3.46Å; N57-A60 PolarHBondContact O-N 3.43Å; A60-K64 WeakPolarHBondContact O-CB 3.3Å; A60-K64 PolarHBondContact O-N 2.94Å; A60-K64 VanDerWaalsContact O-N 3.13Å; A60-L76 HydrophobicContact CB-CD1 3.52Å; A60-I101 HydrophobicContact CB-CG2 3.77Å
61	E	87.6	Confident	88	Confident	105 Å²	105	58.7 Å²	58.7	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-43.9	171.4	-75.8	177.7	-170.2	0	0	112.3	N57 F65 L76	N57-E61 PolarHBondContact ND2-OE1 3.23Å; N57-E61 WeakPolarHBondContact O-CG 3.28Å; N57-E61 PolarHBondContact O-N 3.2Å; E61-F65 PolarHBondContact O-N 3.26Å; E61-L76 HydrophobicContact CB-CD2 4.38Å; E61-L76 HydrophobicContact CG-CD2 3.52Å
62	R	88.4	Confident	87.6	Confident	163 Å²	163	59.2 Å²	59.2	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-64.1	-47.1	175.9	-179.1	179.7	174.7	-169.9	-3.3	111.5	F58 E59 K64 F65 E66	F58-R62 WeakPolarHBondContact O-CB 3.38Å; F58-R62 PolarHBondContact O-N 3.44Å; E59-R62 PolarHBondContact O-N 3.06Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 2.83Å; R62-F65 WeakPolarHBondContact O-CA 3.19Å; R62-F65 WeakPolarHBondContact O-CB 3.39Å; R62-F65 PolarHBondContact O-N 3.29Å; R62-E66 HydrophobicContact CG-CG 3.93Å; R62-E66 IonicContact CZ-OE1 3.23Å; R62-E66 IonicContact NE-OE1 3.92Å; R62-E66 PolarHBondContact NE-OE1 2.86Å; R62-E66 IonicContact NH2-OE1 3.39Å; R62-E66 PolarHBondContact NH2-OE1 2.83Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.36Å; R62-E66 PolarHBondContact O-N 3.16Å
63	L	89.3	Confident	87.1	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.068	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-41.9	179.9	-178.6	64.9	0	0	0	111.2	L33 L36 L52 E59 F65 E66 L67 I101 T121	L33-L63 HydrophobicContact CD2-CD1 3.69Å; L36-L63 HydrophobicContact CD2-CD1 3.75Å; L52-L63 HydrophobicContact CB-CD2 4.36Å; L52-L63 HydrophobicContact CD2-CD2 4.48Å; E59-L63 WeakPolarHBondContact O-CB 3.48Å; E59-L63 PolarHBondContact O-N 3.21Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.01Å; L63-E66 PolarHBondContact O-N 2.89Å; L63-L67 HydrophobicContact CD1-CD1 4.02Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.19Å; L63-L67 WeakPolarHBondContact O-CG 3.3Å; L63-L67 PolarHBondContact O-N 2.78Å; L63-I101 HydrophobicContact CD2-CD1 4.36Å; L63-I101 HydrophobicContact CD2-CG1 4.44Å; L63-I101 HydrophobicContact CD2-CG2 4.12Å; L63-I101 HydrophobicContact CG-CD1 4.26Å; L63-T121 HydrophobicContact CD2-CG2 3.9Å
64	K	92	Very high	87	Confident	84 Å²	84	65.1 Å²	65.1	37%	0.365	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-39.8	173.8	179.9	166.8	177.9	-176.6	0	112.5	A60 R62 A68 T74 L76 I101	A60-K64 WeakPolarHBondContact O-CB 3.3Å; A60-K64 PolarHBondContact O-N 2.94Å; A60-K64 VanDerWaalsContact O-N 3.13Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 2.83Å; K64-A68 VanDerWaalsContact O-CB 3.26Å; K64-A68 WeakPolarHBondContact O-CB 3.41Å; K64-A68 PolarHBondContact O-N 2.88Å; K64-A68 VanDerWaalsContact O-N 3.11Å; K64-T74 WeakPolarHBondContact CE-O 3.48Å; K64-L76 HydrophobicContact CD-CB 3.57Å; K64-I101 HydrophobicContact CB-CD1 3.77Å; K64-I101 HydrophobicContact CG-CD1 4.46Å
65	F	87.7	Confident	87	Confident	122 Å²	122	66.8 Å²	66.8	54%	0.535	32%	0.32	S	S	.	.	H	α-helix	trans	-68.4	-50	176.6	-177.3	-89.2	0	0	0	111.5	E61 R62 L63 L67 A68 E69	E61-F65 PolarHBondContact O-N 3.26Å; R62-F65 WeakPolarHBondContact O-CA 3.19Å; R62-F65 WeakPolarHBondContact O-CB 3.39Å; R62-F65 PolarHBondContact O-N 3.29Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.01Å; F65-L67 VanDerWaalsContact C-N 3.3Å; F65-L67 PolarHBondContact O-N 2.93Å; F65-A68 PolarHBondContact O-N 2.96Å; F65-E69 HydrophobicContact CD1-CG 4.3Å; F65-E69 HydrophobicContact CE1-CG 3.78Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.37Å; F65-E69 HydrophobicContact CZ-CG 3.99Å; F65-E69 PolarHBondContact O-N 3.16Å
66	E	89.9	Confident	87	Confident	31 Å²	31	65.3 Å²	65.3	15%	0.145	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-35.1	-179.6	-66.2	-90.3	-164.9	0	0	112.7	L33 R62 L63 R70	L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 3.98Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.49Å; L33-E66 HydrophobicContact CD2-CB 3.91Å; L33-E66 HydrophobicContact CD2-CG 4.47Å; R62-E66 HydrophobicContact CG-CG 3.93Å; R62-E66 IonicContact CZ-OE1 3.23Å; R62-E66 IonicContact NE-OE1 3.92Å; R62-E66 PolarHBondContact NE-OE1 2.86Å; R62-E66 IonicContact NH2-OE1 3.39Å; R62-E66 PolarHBondContact NH2-OE1 2.83Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.36Å; R62-E66 PolarHBondContact O-N 3.16Å; L63-E66 PolarHBondContact O-N 2.89Å; E66-R70 VanDerWaalsContact O-CD 3.32Å; E66-R70 WeakPolarHBondContact O-CD 3.44Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-NH1 3.09Å; E66-R70 IonicContact OE2-CZ 3.5Å; E66-R70 IonicContact OE2-NH1 3.37Å; E66-R70 PolarHBondContact OE2-NH1 2.86Å; E66-R70 IonicContact OE2-NH2 2.72Å
67	L	87.4	Confident	86.8	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-76.2	-33	173.7	-73	176.4	0	0	0	112.5	L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101	L36-L67 HydrophobicContact CD2-CD1 4.27Å; L36-L67 HydrophobicContact CD2-CD2 4.23Å; L36-L67 HydrophobicContact CG-CD2 4.13Å; A37-L67 HydrophobicContact CB-CD2 4.09Å; L40-L67 HydrophobicContact CD1-CD1 3.94Å; L40-L67 HydrophobicContact CD1-CD2 4.21Å; L52-L67 HydrophobicContact CD1-CD1 4.2Å; L63-L67 HydrophobicContact CD1-CD1 4.02Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.19Å; L63-L67 WeakPolarHBondContact O-CG 3.3Å; L63-L67 PolarHBondContact O-N 2.78Å; F65-L67 VanDerWaalsContact C-N 3.3Å; F65-L67 PolarHBondContact O-N 2.93Å; L67-R70 CarbonylContact O-C 3.52Å; L67-R70 VanDerWaalsContact O-C 3.31Å; L67-R70 WeakPolarHBondContact O-CA 3.49Å; L67-R70 PolarHBondContact O-N 3.14Å; L67-R70 VanDerWaalsContact O-N 3.08Å; L67-D71 PolarHBondContact O-N 3.4Å; L67-V72 CarbonylContact C-O 3.58Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.47Å; L67-V72 PolarHBondContact O-N 2.97Å; L67-T74 HydrophobicContact CB-CG2 4.43Å; L67-T74 HydrophobicContact CD1-CG2 3.9Å; L67-I101 HydrophobicContact CD1-CD1 4.36Å
68	A	84.8	Confident	86.3	Confident	58 Å²	58	61.9 Å²	61.9	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-70.3	-34.5	175.1	0	0	0	0	0	112.8	K64 F65 R70 D71	K64-A68 VanDerWaalsContact O-CB 3.26Å; K64-A68 WeakPolarHBondContact O-CB 3.41Å; K64-A68 PolarHBondContact O-N 2.88Å; K64-A68 VanDerWaalsContact O-N 3.11Å; F65-A68 PolarHBondContact O-N 2.96Å; A68-R70 PolarHBondContact O-N 3.36Å; A68-D71 PolarHBondContact O-N 3.01Å
69	E	85.1	Confident	85.5	Confident	127 Å²	127	57.9 Å²	57.9	59%	0.593	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.8	168.8	-66.8	-155.4	131.9	0	0	112.8	F65	F65-E69 HydrophobicContact CD1-CG 4.3Å; F65-E69 HydrophobicContact CE1-CG 3.78Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.37Å; F65-E69 HydrophobicContact CZ-CG 3.99Å; F65-E69 PolarHBondContact O-N 3.16Å
70	R	86.8	Confident	84.5	Confident	42 Å²	42	65 Å²	65	16%	0.158	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	21.8	175.8	-65.6	169.7	173.4	86	-3.2	112.6	L33 D34 A37 R41 E66 L67 A68 V72	L33-R70 VanDerWaalsContact CB-CZ 3.5Å; D34-R70 IonicContact OD1-CZ 3.6Å; D34-R70 IonicContact OD1-NE 3.83Å; D34-R70 PolarHBondContact OD1-NE 3.23Å; D34-R70 IonicContact OD1-NH2 2.72Å; D34-R70 PolarHBondContact OD1-NH2 3.14Å; A37-R70 HydrophobicContact CB-CB 3.82Å; A37-R70 HydrophobicContact CB-CG 4.44Å; R41-R70 PolarHBondContact NE-O 3.03Å; R41-R70 PolarHBondContact NH2-O 2.95Å; E66-R70 VanDerWaalsContact O-CD 3.32Å; E66-R70 WeakPolarHBondContact O-CD 3.44Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-NH1 3.09Å; E66-R70 IonicContact OE2-CZ 3.5Å; E66-R70 IonicContact OE2-NH1 3.37Å; E66-R70 PolarHBondContact OE2-NH1 2.86Å; E66-R70 IonicContact OE2-NH2 2.72Å; L67-R70 CarbonylContact O-C 3.52Å; L67-R70 VanDerWaalsContact O-C 3.31Å; L67-R70 WeakPolarHBondContact O-CA 3.49Å; L67-R70 PolarHBondContact O-N 3.14Å; L67-R70 VanDerWaalsContact O-N 3.08Å; A68-R70 PolarHBondContact O-N 3.36Å; R70-V72 PolarHBondContact O-N 3.04Å; R70-V72 VanDerWaalsContact O-N 3.14Å
71	D	82.6	Confident	83.5	Confident	136 Å²	136	66.2 Å²	66.2	73%	0.727	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	15.2	179.9	-68.4	-52.1	0	0	0	115.9	L67 A68	L67-D71 PolarHBondContact O-N 3.4Å; A68-D71 PolarHBondContact O-N 3.01Å
72	V	83.3	Confident	82.3	Confident	11 Å²	11	66.2 Å²	66.2	7%	0.067	35%	0.352	C	S	.	.			trans	-96.3	108.4	178	-176.2	0	0	0	0	110.5	A37 L40 R41 L67 R70 T74	A37-V72 HydrophobicContact CB-CG2 3.87Å; L40-V72 HydrophobicContact CB-CG1 3.79Å; L40-V72 HydrophobicContact CD1-CG1 3.87Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; R41-V72 HydrophobicContact CG-CG2 3.92Å; L67-V72 CarbonylContact C-O 3.58Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.47Å; L67-V72 PolarHBondContact O-N 2.97Å; R70-V72 PolarHBondContact O-N 3.04Å; R70-V72 VanDerWaalsContact O-N 3.14Å; V72-T74 HydrophobicContact CG1-CG2 4Å; V72-T74 PolarHBondContact O-N 3.34Å
73	N	82.4	Confident	81.4	Confident	117 Å²	117	63.8 Å²	63.8	63%	0.626	35%	0.349	S	S	*	.			trans	-77.7	117.1	179.6	-72.6	-85	0	0	0	111.1	Q98	N73-Q98 HydrophobicContact CB-CG 4.4Å
74	T	89.8	Confident	81	Confident	8 Å²	8	63.8 Å²	63.8	5%	0.049	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.1	-176.4	56	0	0	0	0	112.7	L52 K64 L67 V72 A99 I101	L52-T74 HydrophobicContact CD1-CG2 4.14Å; K64-T74 WeakPolarHBondContact CE-O 3.48Å; L67-T74 HydrophobicContact CB-CG2 4.43Å; L67-T74 HydrophobicContact CD1-CG2 3.9Å; V72-T74 HydrophobicContact CG1-CG2 4Å; V72-T74 PolarHBondContact O-N 3.34Å; T74-A99 WeakPolarHBondContact CA-O 3.38Å; T74-A99 HydrophobicContact CG2-CB 4.31Å; T74-I101 HydrophobicContact CG2-CD1 4.11Å; T74-I101 VanDerWaalsContact OG1-CD1 3.3Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.48Å
75	I	89.3	Confident	80.3	Confident	35 Å²	35	62.3 Å²	62.3	18%	0.179	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110.6	177.5	-70.9	167.1	0	0	0	109.3	V87 I96 Q98 A99 L100 I101	I75-V87 HydrophobicContact CG2-CG1 3.88Å; I75-I96 HydrophobicContact CD1-CG2 3.21Å; I75-Q98 HydrophobicContact CD1-CB 4Å; I75-Q98 HydrophobicContact CG1-CB 4.2Å; I75-A99 PolarHBondContact N-O 3.49Å; I75-L100 HydrophobicContact CB-CD1 4.43Å; I75-L100 HydrophobicContact CG2-CD1 4.06Å; I75-L100 CarbonylContact O-C 3.56Å; I75-L100 WeakPolarHBondContact O-CA 3.42Å; I75-I101 PolarHBondContact O-N 3.11Å
76	L	89.5	Confident	80	Confident	25 Å²	25	62 Å²	62	13%	0.131	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.3	164.9	174.6	64.8	0	0	0	109.9	A60 E61 K64 P78 I101	A60-L76 HydrophobicContact CB-CD1 3.52Å; E61-L76 HydrophobicContact CB-CD2 4.38Å; E61-L76 HydrophobicContact CG-CD2 3.52Å; K64-L76 HydrophobicContact CD-CB 3.57Å; L76-P78 VanDerWaalsContact O-CD 3.32Å; L76-P78 WeakPolarHBondContact O-CD 3.33Å; L76-I101 WeakPolarHBondContact CA-O 3.37Å; L76-I101 HydrophobicContact CD1-CB 4.28Å; L76-I101 HydrophobicContact CD1-CG2 4.07Å
77	L	83	Confident	79.7	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	36%	0.362	C	S	.	.			trans	-87.2	106.3	162.2	-82	166.5	0	0	0	109.5	V84 V87 L88 L100 I101 M106	L77-V84 HydrophobicContact CD2-CB 4.31Å; L77-V84 HydrophobicContact CD2-CG1 4.24Å; L77-V84 HydrophobicContact CD2-CG2 4.03Å; L77-V87 HydrophobicContact CD2-CB 4.18Å; L77-V87 HydrophobicContact CD2-CG1 4.02Å; L77-L88 HydrophobicContact CD1-CD1 4.33Å; L77-L88 HydrophobicContact CD1-CD2 3.64Å; L77-L88 HydrophobicContact CD1-CG 3.88Å; L77-L88 HydrophobicContact CD2-CG 4.25Å; L77-L100 HydrophobicContact CD1-CD1 3.72Å; L77-L100 HydrophobicContact CD1-CD2 3.83Å; L77-L100 HydrophobicContact CD1-CG 3.9Å; L77-L100 HydrophobicContact CG-CD1 3.88Å; L77-L100 HydrophobicContact CG-CG 4.49Å; L77-I101 PolarHBondContact N-O 3.3Å; L77-M106 HydrophobicContact CB-CE 4.34Å
78	P	73.6	Confident	79.6	Confident	60 Å²	60	62.9 Å²	62.9	39%	0.39	37%	0.365	S	S	.	.			trans	-75.9	140.2	177.8	31.4	-34.2	0	0	0	110.6	L76 H80 G81 V84	L76-P78 VanDerWaalsContact O-CD 3.32Å; L76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-H80 PolarHBondContact O-N 2.93Å; P78-G81 PolarHBondContact O-N 2.8Å; P78-V84 WeakPolarHBondContact O-CG2 3.49Å
79	P	67.4	Low	79.4	Confident	43 Å²	43	64.5 Å²	64.5	28%	0.279	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.8	171.9	25.1	-32.8	0	0	0	111	N57 G81 M106	N57-P79 HydrophobicContact CB-CG 4.19Å; N57-P79 WeakPolarHBondContact OD1-CD 3.46Å; P79-G81 PolarHBondContact O-N 3.19Å; P79-M106 VanDerWaalsContact CA-SD 3.56Å; P79-M106 HydrophobicContact CB-SD 4.05Å
80	H	66.1	Low	79.3	Confident	181 Å²	181	62.3 Å²	62.3	84%	0.838	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	18.2	-178.1	-35.2	-64	0	0	0	115.7	P78 A82	P78-H80 PolarHBondContact O-N 2.93Å; H80-A82 PolarHBondContact O-N 3.13Å
81	G	66.7	Low	79.3	Confident	25 Å²	25	60.3 Å²	60.3	26%	0.258	35%	0.35	S	S	.	.			trans	-67	121.5	173.5	0	0	0	0	0	112.7	P78 P79 M83 V84	P78-G81 PolarHBondContact O-N 2.8Å; P79-G81 PolarHBondContact O-N 3.19Å; G81-M83 PolarHBondContact O-N 3.01Å; G81-V84 VanDerWaalsContact O-CB 3.28Å; G81-V84 WeakPolarHBondContact O-CB 3.14Å; G81-V84 WeakPolarHBondContact O-CG2 3.5Å; G81-V84 PolarHBondContact O-N 2.91Å
82	A	62.9	Low	79.2	Confident	106 Å²	106	55.4 Å²	55.4	88%	0.876	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.2	-179.1	0	0	0	0	0	115.4	H80	H80-A82 PolarHBondContact O-N 3.13Å
83	M	70.5	Confident	79.1	Confident	111 Å²	111	61.3 Å²	61.3	55%	0.547	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.8	177	-57	-65.7	-73.8	0	0	113.5	G81 G85 Q86 V87	G81-M83 PolarHBondContact O-N 3.01Å; M83-G85 PolarHBondContact O-N 3.3Å; M83-Q86 WeakPolarHBondContact O-CA 3.47Å; M83-Q86 WeakPolarHBondContact O-CB 3.34Å; M83-Q86 PolarHBondContact O-N 3.35Å; M83-V87 HydrophobicContact CB-CG2 4.39Å; M83-V87 PolarHBondContact O-N 3.25Å
84	V	79.9	Confident	78.7	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.085	34%	0.338	C	S	.	.	H	α-helix	trans	-49	-53.5	-174	157.7	0	0	0	0	112.1	L77 P78 G81 Q86 V87 L88 M106 H109	L77-V84 HydrophobicContact CD2-CB 4.31Å; L77-V84 HydrophobicContact CD2-CG1 4.24Å; L77-V84 HydrophobicContact CD2-CG2 4.03Å; P78-V84 WeakPolarHBondContact O-CG2 3.49Å; G81-V84 VanDerWaalsContact O-CB 3.28Å; G81-V84 WeakPolarHBondContact O-CB 3.14Å; G81-V84 WeakPolarHBondContact O-CG2 3.5Å; G81-V84 PolarHBondContact O-N 2.91Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 3.09Å; V84-V87 PolarHBondContact O-N 2.75Å; V84-L88 HydrophobicContact CG1-CD1 3.77Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 WeakPolarHBondContact O-CG 3.5Å; V84-L88 PolarHBondContact O-N 3.04Å; V84-M106 HydrophobicContact CB-CE 4.48Å; V84-M106 HydrophobicContact CG1-CE 3.75Å; V84-M106 HydrophobicContact CG2-CE 3.83Å; V84-H109 HydrophobicContact CG1-CB 4.49Å
85	G	78.4	Confident	78.2	Confident	53 Å²	53	65.2 Å²	65.2	55%	0.546	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-28.6	179.8	0	0	0	0	0	114.1	M83 L89	M83-G85 PolarHBondContact O-N 3.3Å; G85-L89 WeakPolarHBondContact O-CB 3.08Å; G85-L89 PolarHBondContact O-N 2.94Å
86	Q	80.7	Confident	77.8	Confident	115 Å²	115	65.3 Å²	65.3	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-76.8	-40.5	175.6	-63.5	-173.1	5.8	0	0	111.7	M83 V84 L89 L90	M83-Q86 WeakPolarHBondContact O-CA 3.47Å; M83-Q86 WeakPolarHBondContact O-CB 3.34Å; M83-Q86 PolarHBondContact O-N 3.35Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 3.09Å; Q86-L89 PolarHBondContact O-N 2.93Å; Q86-L90 WeakPolarHBondContact O-CB 3.42Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.39Å; Q86-L90 PolarHBondContact O-N 2.84Å
87	V	83.4	Confident	77.2	Confident	36 Å²	36	67 Å²	67	22%	0.218	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-46.9	175.5	173.8	0	0	0	0	110.3	I75 L77 M83 V84 L89 L90 W91	I75-V87 HydrophobicContact CG2-CG1 3.88Å; L77-V87 HydrophobicContact CD2-CB 4.18Å; L77-V87 HydrophobicContact CD2-CG1 4.02Å; M83-V87 HydrophobicContact CB-CG2 4.39Å; M83-V87 PolarHBondContact O-N 3.25Å; V84-V87 PolarHBondContact O-N 2.75Å; V87-L89 PolarHBondContact O-N 2.87Å; V87-L90 PolarHBondContact O-N 2.87Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.38Å; V87-W91 PolarHBondContact O-N 3.49Å
88	L	85	Confident	77.3	Confident	13 Å²	13	70.6 Å²	70.6	7%	0.068	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-43.2	174.8	-78.5	165.5	0	0	0	112.4	L77 V84 L90 W91 S92 L100 H109 L110	L77-L88 HydrophobicContact CD1-CD1 4.33Å; L77-L88 HydrophobicContact CD1-CD2 3.64Å; L77-L88 HydrophobicContact CD1-CG 3.88Å; L77-L88 HydrophobicContact CD2-CG 4.25Å; V84-L88 HydrophobicContact CG1-CD1 3.77Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 WeakPolarHBondContact O-CG 3.5Å; V84-L88 PolarHBondContact O-N 3.04Å; L88-L90 PolarHBondContact O-N 2.87Å; L88-W91 PolarHBondContact O-N 2.88Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.33Å; L88-S92 PolarHBondContact O-N 3.48Å; L88-S92 PolarHBondContact O-OG 3.42Å; L88-S92 VanDerWaalsContact O-OG 3.1Å; L88-L100 HydrophobicContact CD2-CD2 4.05Å; L88-H109 VanDerWaalsContact CD1-O 3.24Å; L88-H109 WeakPolarHBondContact CD1-O 3.28Å; L88-L110 HydrophobicContact CD2-CD2 3.94Å
89	L	81.4	Confident	78	Confident	92 Å²	92	68.2 Å²	68.2	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-67.1	-33	178.3	-178	63.4	0	0	0	113.4	G85 Q86 V87 S92 K93	G85-L89 WeakPolarHBondContact O-CB 3.08Å; G85-L89 PolarHBondContact O-N 2.94Å; Q86-L89 PolarHBondContact O-N 2.93Å; V87-L89 PolarHBondContact O-N 2.87Å; L89-S92 PolarHBondContact O-OG 3.29Å; L89-K93 HydrophobicContact CD1-CD 4.22Å; L89-K93 WeakPolarHBondContact O-CB 2.96Å; L89-K93 WeakPolarHBondContact O-CG 3.08Å; L89-K93 PolarHBondContact O-N 2.99Å
90	L	82.4	Confident	79.1	Confident	81 Å²	81	66.2 Å²	66.2	42%	0.424	37%	0.367	S	S	.	.	H	α-helix	trans	-76.4	-38	175.9	-71.7	170.1	0	0	0	111.6	Q86 V87 L88 G94 Y95 I96	Q86-L90 WeakPolarHBondContact O-CB 3.42Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.39Å; Q86-L90 PolarHBondContact O-N 2.84Å; V87-L90 PolarHBondContact O-N 2.87Å; L88-L90 PolarHBondContact O-N 2.87Å; L90-G94 PolarHBondContact O-N 3.26Å; L90-Y95 HydrophobicContact CD2-CD2 3.87Å; L90-Y95 HydrophobicContact CD2-CG 4.2Å; L90-Y95 WeakPolarHBondContact O-CB 3.18Å; L90-Y95 PolarHBondContact O-N 3.19Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.3Å
91	W	87.3	Confident	80.4	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-47.4	176.4	-170.7	87.7	0	0	0	112.3	K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115	K49-W91 HydrophobicContact CB-CH2 3.72Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.42Å; K49-W91 HydrophobicContact CG-CH2 4.43Å; K49-W91 HydrophobicContact CG-CZ2 4.39Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.33Å; I51-W91 HydrophobicContact CG1-CH2 3.54Å; I51-W91 HydrophobicContact CG1-CZ2 4.14Å; I51-W91 HydrophobicContact CG1-CZ3 4.3Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.38Å; V87-W91 PolarHBondContact O-N 3.49Å; L88-W91 PolarHBondContact O-N 2.88Å; W91-K93 PolarHBondContact O-N 3.16Å; W91-G94 PolarHBondContact O-N 3.33Å; W91-I96 HydrophobicContact CB-CB 4.33Å; W91-Q98 PolarHBondContact NE1-O 3.46Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 3.93Å; W91-L100 HydrophobicContact CE3-CD2 3.98Å; W91-L100 HydrophobicContact CG-CD1 4.48Å; W91-L100 HydrophobicContact CG-CD2 4.48Å; W91-L100 HydrophobicContact CH2-CD2 4.34Å; W91-L100 HydrophobicContact CZ2-CB 3.82Å; W91-L100 HydrophobicContact CZ2-CD2 4.29Å; W91-L100 HydrophobicContact CZ3-CD2 4.19Å; W91-V113 HydrophobicContact CZ3-CB 4.36Å; W91-A115 HydrophobicContact CH2-CB 4.19Å
92	S	80.4	Confident	81.5	Confident	32 Å²	32	56.4 Å²	56.4	22%	0.224	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-31.2	177.8	69.2	0	0	0	0	112.8	K49 L88 L89	K49-S92 WeakPolarHBondContact CE-O 3.31Å; K49-S92 PolarHBondContact NZ-O 3.49Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.33Å; L88-S92 PolarHBondContact O-N 3.48Å; L88-S92 PolarHBondContact O-OG 3.42Å; L88-S92 VanDerWaalsContact O-OG 3.1Å; L89-S92 PolarHBondContact O-OG 3.29Å
93	K	80.6	Confident	82.9	Confident	135 Å²	135	51.7 Å²	51.7	59%	0.587	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	2.2	174.1	-70	-175	175.3	-174.3	0	115.3	L89 W91 Y95	L89-K93 HydrophobicContact CD1-CD 4.22Å; L89-K93 WeakPolarHBondContact O-CB 2.96Å; L89-K93 WeakPolarHBondContact O-CG 3.08Å; L89-K93 PolarHBondContact O-N 2.99Å; W91-K93 PolarHBondContact O-N 3.16Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.66Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CD-CE2 4.11Å; K93-Y95 PolarHBondContact O-N 3.16Å
94	G	74.2	Confident	83.6	Confident	34 Å²	34	48 Å²	48	35%	0.351	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	21.1	177.4	0	0	0	0	0	115.1	L90 W91 N97	L90-G94 PolarHBondContact O-N 3.26Å; W91-G94 PolarHBondContact O-N 3.33Å; G94-N97 PolarHBondContact O-OD1 3.48Å
95	Y	78.8	Confident	83.8	Confident	174 Å²	174	49.9 Å²	49.9	68%	0.682	28%	0.279	S	S	*	.	S	Bend	trans	-81	-8.4	166.9	-63.2	-71.9	0	0	0	112.4	L90 K93	L90-Y95 HydrophobicContact CD2-CD2 3.87Å; L90-Y95 HydrophobicContact CD2-CG 4.2Å; L90-Y95 WeakPolarHBondContact O-CB 3.18Å; L90-Y95 PolarHBondContact O-N 3.19Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.66Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CD-CE2 4.11Å; K93-Y95 PolarHBondContact O-N 3.16Å
96	I	81.5	Confident	84.1	Confident	36 Å²	36	47.5 Å²	47.5	19%	0.185	25%	0.254	C	S	.	.			trans	-140.3	111	-177.4	-58.8	179	0	0	0	107.6	I75 L90 W91	I75-I96 HydrophobicContact CD1-CG2 3.21Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.3Å; W91-I96 HydrophobicContact CB-CB 4.33Å
97	N	76.6	Confident	84.2	Confident	60 Å²	60	42.3 Å²	42.3	32%	0.321	23%	0.23	S	C	.	.			trans	-101.7	3.1	-174.8	-54.7	-18.1	0	0	0	113.2	A45 N46 G94	A45-N97 WeakPolarHBondContact O-CB 3.21Å; N46-N97 PolarHBondContact OD1-ND2 3.07Å; G94-N97 PolarHBondContact O-OD1 3.48Å
98	Q	85.9	Confident	84	Confident	80 Å²	80	46.2 Å²	46.2	37%	0.374	25%	0.246	S	C	.	.	S	Bend	trans	-73.2	144.1	177.5	-68.1	179.9	4.8	0	0	110.7	N73 I75 W91	N73-Q98 HydrophobicContact CB-CG 4.4Å; I75-Q98 HydrophobicContact CD1-CB 4Å; I75-Q98 HydrophobicContact CG1-CB 4.2Å; W91-Q98 PolarHBondContact NE1-O 3.46Å
99	A	88.5	Confident	83.6	Confident	11 Å²	11	49.5 Å²	49.5	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.4	178.5	0	0	0	0	0	111.6	L40 T50 L52 T74 I75	L40-A99 HydrophobicContact CD2-CB 3.89Å; T50-A99 HydrophobicContact CG2-CB 4.35Å; T50-A99 WeakPolarHBondContact O-CA 3.39Å; L52-A99 HydrophobicContact CD1-CB 3.66Å; T74-A99 WeakPolarHBondContact CA-O 3.38Å; T74-A99 HydrophobicContact CG2-CB 4.31Å; I75-A99 PolarHBondContact N-O 3.49Å
100	L	90.5	Very high	83.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.9	-167.1	-170.8	71	0	0	0	110.7	T50 I51 L52 I75 L77 L88 W91 L102 L110	T50-L100 PolarHBondContact O-N 3.49Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.27Å; L52-L100 PolarHBondContact N-O 2.97Å; I75-L100 HydrophobicContact CB-CD1 4.43Å; I75-L100 HydrophobicContact CG2-CD1 4.06Å; I75-L100 CarbonylContact O-C 3.56Å; I75-L100 WeakPolarHBondContact O-CA 3.42Å; L77-L100 HydrophobicContact CD1-CD1 3.72Å; L77-L100 HydrophobicContact CD1-CD2 3.83Å; L77-L100 HydrophobicContact CD1-CG 3.9Å; L77-L100 HydrophobicContact CG-CD1 3.88Å; L77-L100 HydrophobicContact CG-CG 4.49Å; L88-L100 HydrophobicContact CD2-CD2 4.05Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 3.93Å; W91-L100 HydrophobicContact CE3-CD2 3.98Å; W91-L100 HydrophobicContact CG-CD1 4.48Å; W91-L100 HydrophobicContact CG-CD2 4.48Å; W91-L100 HydrophobicContact CH2-CD2 4.34Å; W91-L100 HydrophobicContact CZ2-CB 3.82Å; W91-L100 HydrophobicContact CZ2-CD2 4.29Å; W91-L100 HydrophobicContact CZ3-CD2 4.19Å; L100-L102 HydrophobicContact CD2-CD2 4.45Å; L100-L110 HydrophobicContact CD2-CD2 4.38Å
101	I	92.3	Very high	82.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.5	176.8	-53.5	169.7	0	0	0	109.9	L52 A60 L63 K64 L67 T74 I75 L76 L77	L52-I101 HydrophobicContact CB-CB 4.28Å; L52-I101 HydrophobicContact CB-CG1 3.79Å; L52-I101 HydrophobicContact CB-CG2 4.46Å; L52-I101 HydrophobicContact CD1-CD1 4.32Å; L52-I101 HydrophobicContact CD1-CG1 3.57Å; L52-I101 HydrophobicContact CG-CG1 4.31Å; L52-I101 WeakPolarHBondContact O-CA 3.36Å; A60-I101 HydrophobicContact CB-CG2 3.77Å; L63-I101 HydrophobicContact CD2-CD1 4.36Å; L63-I101 HydrophobicContact CD2-CG1 4.44Å; L63-I101 HydrophobicContact CD2-CG2 4.12Å; L63-I101 HydrophobicContact CG-CD1 4.26Å; K64-I101 HydrophobicContact CB-CD1 3.77Å; K64-I101 HydrophobicContact CG-CD1 4.46Å; L67-I101 HydrophobicContact CD1-CD1 4.36Å; T74-I101 HydrophobicContact CG2-CD1 4.11Å; T74-I101 VanDerWaalsContact OG1-CD1 3.3Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.48Å; I75-I101 PolarHBondContact O-N 3.11Å; L76-I101 WeakPolarHBondContact CA-O 3.37Å; L76-I101 HydrophobicContact CD1-CB 4.28Å; L76-I101 HydrophobicContact CD1-CG2 4.07Å; L77-I101 PolarHBondContact N-O 3.3Å
102	L	91.2	Very high	82	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.8	175.7	62.8	90.1	0	0	0	111.8	I51 L52 I53 C54 L100 M106 L107 L110	I51-L102 HydrophobicContact CG2-CD2 3.7Å; I51-L102 HydrophobicContact CG2-CG 4.15Å; L52-L102 PolarHBondContact O-N 3.45Å; I53-L102 WeakPolarHBondContact CA-O 3.44Å; I53-L102 HydrophobicContact CG1-CD1 4.14Å; I53-L102 HydrophobicContact CG2-CD1 4.19Å; C54-L102 PolarHBondContact N-O 2.88Å; L100-L102 HydrophobicContact CD2-CD2 4.45Å; L102-M106 HydrophobicContact CB-CB 4.07Å; L102-L107 HydrophobicContact CD1-CD2 3.79Å; L102-L107 HydrophobicContact CD1-CG 4.38Å; L102-L110 HydrophobicContact CD2-CD1 3.9Å; L102-L110 HydrophobicContact CD2-CD2 3.68Å; L102-L110 HydrophobicContact CD2-CG 4.04Å
103	C	90.8	Very high	81.7	Confident	8 Å²	8	47.9 Å²	47.9	5%	0.054	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	167.8	172.4	60.2	0	0	0	0	111.9	C54 G105 M106	C54-C103 CarbonylContact O-C 3.56Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.38Å; C103-G105 VanDerWaalsContact C-N 3.26Å; C103-G105 PolarHBondContact O-N 3.03Å; C103-G105 VanDerWaalsContact O-N 3.14Å; C103-M106 WeakPolarHBondContact O-CB 3.29Å; C103-M106 PolarHBondContact O-N 2.75Å
104	D	86.2	Confident	81.3	Confident	34 Å²	34	48.7 Å²	48.7	18%	0.182	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-51.2	-40.9	-178.1	-76.8	-37.5	0	0	0	113.7	C54 Q55 M106 L107 R132	C54-D104 PolarHBondContact O-N 3.43Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.43Å; Q55-D104 PolarHBondContact O-N 2.62Å; D104-M106 PolarHBondContact O-N 2.93Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.44Å; D104-L107 WeakPolarHBondContact O-CD1 3.4Å; D104-L107 VanDerWaalsContact O-CG 3.26Å; D104-L107 WeakPolarHBondContact O-CG 3.39Å; D104-L107 PolarHBondContact O-N 2.76Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.38Å; D104-R132 IonicContact OD1-CZ 3.06Å; D104-R132 IonicContact OD1-NE 3.18Å; D104-R132 PolarHBondContact OD1-NE 3.3Å; D104-R132 IonicContact OD1-NH2 2.65Å; D104-R132 PolarHBondContact OD1-NH2 2.85Å; D104-R132 IonicContact OD2-CZ 3.49Å; D104-R132 IonicContact OD2-NE 3.76Å; D104-R132 IonicContact OD2-NH2 3.17Å; D104-R132 PolarHBondContact OD2-NH2 3.26Å
105	G	82.9	Confident	81.6	Confident	52 Å²	52	47.3 Å²	47.3	54%	0.536	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-65	2.2	175.7	0	0	0	0	0	116.1	C103	C103-G105 VanDerWaalsContact C-N 3.26Å; C103-G105 PolarHBondContact O-N 3.03Å; C103-G105 VanDerWaalsContact O-N 3.14Å
106	M	85.6	Confident	81.8	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.02	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-110.9	-0.6	173.3	-65.2	-57.1	-67.5	0	0	113.1	L77 P79 V84 L102 C103 D104 H109 L110	L77-M106 HydrophobicContact CB-CE 4.34Å; P79-M106 VanDerWaalsContact CA-SD 3.56Å; P79-M106 HydrophobicContact CB-SD 4.05Å; V84-M106 HydrophobicContact CB-CE 4.48Å; V84-M106 HydrophobicContact CG1-CE 3.75Å; V84-M106 HydrophobicContact CG2-CE 3.83Å; L102-M106 HydrophobicContact CB-CB 4.07Å; C103-M106 WeakPolarHBondContact O-CB 3.29Å; C103-M106 PolarHBondContact O-N 2.75Å; D104-M106 PolarHBondContact O-N 2.93Å; M106-H109 HydrophobicContact CE-CB 4.05Å; M106-H109 WeakPolarHBondContact O-CB 3.29Å; M106-H109 PolarHBondContact O-N 3.22Å; M106-H109 VanDerWaalsContact O-N 3.12Å; M106-L110 PolarHBondContact O-N 3.44Å
107	L	83.7	Confident	81.9	Confident	6 Å²	6	41 Å²	41	3%	0.031	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-41.2	-177.3	-66.9	168.6	0	0	0	112.3	I53 L102 D104 H109 L110 R132 W135 L136	I53-L107 HydrophobicContact CD1-CD2 4.21Å; L102-L107 HydrophobicContact CD1-CD2 3.79Å; L102-L107 HydrophobicContact CD1-CG 4.38Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.44Å; D104-L107 WeakPolarHBondContact O-CD1 3.4Å; D104-L107 VanDerWaalsContact O-CG 3.26Å; D104-L107 WeakPolarHBondContact O-CG 3.39Å; D104-L107 PolarHBondContact O-N 2.76Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.38Å; L107-H109 PolarHBondContact O-N 3.19Å; L107-L110 HydrophobicContact CD2-CD1 3.92Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.35Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.8Å; L107-W135 HydrophobicContact CB-CB 3.95Å; L107-W135 HydrophobicContact CB-CG 4.03Å; L107-L136 HydrophobicContact CD2-CD2 4.5Å
108	E	78.9	Confident	82.5	Confident	118 Å²	118	38.1 Å²	38.1	55%	0.551	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.2	173.4	70.1	-179.5	176.8	0	0	112.8	W135	E108-W135 HydrophobicContact CB-CH2 3.87Å; E108-W135 HydrophobicContact CB-CZ2 3.98Å; E108-W135 HydrophobicContact CB-CZ3 4.21Å
109	H	76.8	Confident	82.8	Confident	81 Å²	81	34.3 Å²	34.3	38%	0.375	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.8	-177.1	-71.8	81	0	0	0	113.2	V84 L88 M106 L107 G111	V84-H109 HydrophobicContact CG1-CB 4.49Å; L88-H109 VanDerWaalsContact CD1-O 3.24Å; L88-H109 WeakPolarHBondContact CD1-O 3.28Å; M106-H109 HydrophobicContact CE-CB 4.05Å; M106-H109 WeakPolarHBondContact O-CB 3.29Å; M106-H109 PolarHBondContact O-N 3.22Å; M106-H109 VanDerWaalsContact O-N 3.12Å; L107-H109 PolarHBondContact O-N 3.19Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.23Å
110	L	75.9	Confident	82.9	Confident	8 Å²	8	33.8 Å²	33.8	4%	0.042	20%	0.196	C	C	.	.			trans	-65.9	-31	-178.2	-79.6	163.4	0	0	0	113	I51 L88 L100 L102 M106 L107 V112 V113	I51-L110 HydrophobicContact CD1-CD2 4.2Å; L88-L110 HydrophobicContact CD2-CD2 3.94Å; L100-L110 HydrophobicContact CD2-CD2 4.38Å; L102-L110 HydrophobicContact CD2-CD1 3.9Å; L102-L110 HydrophobicContact CD2-CD2 3.68Å; L102-L110 HydrophobicContact CD2-CG 4.04Å; M106-L110 PolarHBondContact O-N 3.44Å; L107-L110 HydrophobicContact CD2-CD1 3.92Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.35Å; L110-V112 PolarHBondContact O-N 2.94Å; L110-V113 HydrophobicContact CB-CG2 4.15Å; L110-V113 HydrophobicContact CD2-CG2 3.94Å; L110-V113 WeakPolarHBondContact O-CG1 3.39Å
111	G	71.7	Confident	82.7	Confident	40 Å²	40	34.9 Å²	34.9	41%	0.412	20%	0.203	S	C	.	.			trans	64.4	-129.2	-174.1	0	0	0	0	0	111.6	H109 S139	H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.23Å; G111-S139 VanDerWaalsContact O-CA 3.26Å; G111-S139 WeakPolarHBondContact O-CA 3.4Å; G111-S139 VanDerWaalsContact O-CB 3.27Å; G111-S139 WeakPolarHBondContact O-CB 3.21Å; G111-S139 PolarHBondContact O-OG 3.21Å
112	V	68.1	Low	82.4	Confident	119 Å²	119	37.1 Å²	37.1	72%	0.721	22%	0.217	S	C	*	.	S	Bend	trans	-114	118	172.1	-178.2	0	0	0	0	108.3	L110	L110-V112 PolarHBondContact O-N 2.94Å
113	V	74.2	Confident	81.9	Confident	6 Å²	6	40.5 Å²	40.5	4%	0.036	24%	0.235	C	C	.	.			trans	-143.1	113.8	-174.4	-76.9	0	0	0	0	111	I51 W91 L110 A115 S139	I51-V113 HydrophobicContact CD1-CG2 4.49Å; W91-V113 HydrophobicContact CZ3-CB 4.36Å; L110-V113 HydrophobicContact CB-CG2 4.15Å; L110-V113 HydrophobicContact CD2-CG2 3.94Å; L110-V113 WeakPolarHBondContact O-CG1 3.39Å; V113-A115 PolarHBondContact O-N 2.89Å; V113-S139 CarbonylContact C-O 3.55Å; V113-S139 PolarHBondContact N-O 3.26Å
114	E	72.1	Confident	81.3	Confident	151 Å²	151	40.8 Å²	40.8	71%	0.706	24%	0.236	S	C	*	.			trans	-59.7	110.3	170.6	-64.5	173.2	160.1	0	0	109.6	K49	K49-E114 WeakPolarHBondContact CD-O 3.3Å; K49-E114 IonicContact NZ-OE2 2.69Å
115	A	80.5	Confident	80.9	Confident	6 Å²	6	45.2 Å²	45.2	5%	0.05	26%	0.256	C	S	.	.			trans	-119.9	140.2	170.8	0	0	0	0	0	108.4	I51 W91 V113 A140 A143	I51-A115 HydrophobicContact CD1-CB 3.72Å; I51-A115 HydrophobicContact CG1-CB 3.93Å; W91-A115 HydrophobicContact CH2-CB 4.19Å; V113-A115 PolarHBondContact O-N 2.89Å; A115-A140 HydrophobicContact CB-CB 4.16Å; A115-A143 VanDerWaalsContact O-CB 3.3Å; A115-A143 WeakPolarHBondContact O-CB 3.43Å
116	N	82.9	Confident	80.5	Confident	76 Å²	76	48.1 Å²	48.1	41%	0.406	26%	0.259	S	S	.	.	S	Bend	trans	-88.5	-32.5	-178.9	-58.2	93.3	0	0	0	111.4	E48 K49 E144	E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.36Å; K49-N116 PolarHBondContact N-OD1 2.85Å; K49-N116 PolarHBondContact O-N 3.37Å; N116-E144 PolarHBondContact O-N 2.85Å
117	L	85.6	Confident	80	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.8	-177.4	-179.6	68.3	0	0	0	109.8	K49 T50 I51 I119 E144 L146	K49-L117 PolarHBondContact O-N 2.88Å; T50-L117 CarbonylContact C-O 3.51Å; T50-L117 WeakPolarHBondContact CA-O 3.32Å; T50-L117 HydrophobicContact CG2-CB 4.21Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; I51-L117 PolarHBondContact N-O 2.83Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.77Å; L117-I119 HydrophobicContact CD2-CG1 3.85Å; L117-I119 HydrophobicContact CG-CD1 4.33Å; L117-I119 HydrophobicContact CG-CG1 3.84Å; L117-E144 WeakPolarHBondContact CA-O 3.07Å; L117-E144 HydrophobicContact CD1-CB 4.01Å; L117-E144 HydrophobicContact CD1-CG 4.13Å; L117-L146 HydrophobicContact CD1-CB 4.1Å
118	V	89.1	Confident	79.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.7	170.8	177.9	0	0	0	0	108.3	I51 I53 L136 A140 A143 E144 M145 L146	I51-V118 HydrophobicContact CB-CG2 4.35Å; I53-V118 HydrophobicContact CD1-CG1 3.42Å; I53-V118 VanDerWaalsContact CD1-CG1 3.42Å; I53-V118 HydrophobicContact CG1-CG1 4.06Å; V118-L136 HydrophobicContact CG1-CD1 4.08Å; V118-L136 HydrophobicContact CG1-CD2 4.23Å; V118-L136 HydrophobicContact CG2-CD2 4.39Å; V118-A140 HydrophobicContact CG2-CB 4.16Å; V118-A143 HydrophobicContact CG2-CB 3.84Å; V118-E144 PolarHBondContact N-O 2.72Å; V118-M145 HydrophobicContact CB-CE 4.44Å; V118-M145 HydrophobicContact CB-SD 3.69Å; V118-M145 HydrophobicContact CG1-SD 4.03Å; V118-M145 HydrophobicContact CG2-CE 4.38Å; V118-M145 HydrophobicContact CG2-SD 4.27Å; V118-L146 PolarHBondContact O-N 3.46Å
119	I	90.9	Very high	79.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.4	-178.9	-48.2	-178.2	0	0	0	109.5	L36 L40 T50 I51 L52 I53 L117 T121 L146 I148	L36-I119 HydrophobicContact CD1-CD1 3.58Å; L36-I119 HydrophobicContact CD1-CG2 3.91Å; L40-I119 HydrophobicContact CD2-CD1 4.2Å; T50-I119 HydrophobicContact CG2-CD1 3.84Å; T50-I119 HydrophobicContact CG2-CG1 4.04Å; I51-I119 PolarHBondContact O-N 3.2Å; L52-I119 HydrophobicContact CD2-CB 4.03Å; L52-I119 HydrophobicContact CD2-CD1 4.03Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.4Å; I53-I119 PolarHBondContact N-O 3.46Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.77Å; L117-I119 HydrophobicContact CD2-CG1 3.85Å; L117-I119 HydrophobicContact CG-CD1 4.33Å; L117-I119 HydrophobicContact CG-CG1 3.84Å; I119-T121 HydrophobicContact CG2-CG2 3.95Å; I119-T121 PolarHBondContact O-N 3.35Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.32Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.28Å; I119-L146 HydrophobicContact CG1-CD2 4.17Å; I119-L146 HydrophobicContact CG2-CB 4.41Å; I119-L146 HydrophobicContact CG2-CD2 4.12Å; I119-L146 HydrophobicContact CG2-CG 4.23Å; I119-I148 HydrophobicContact CG2-CD1 3.87Å; I119-I148 HydrophobicContact CG2-CG1 4.2Å
120	H	91.2	Very high	80	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104.1	172.2	-62	-119.4	0	0	0	107.9	L123 F129 R132 L146 V147 I148	H120-L123 HydrophobicContact CB-CD2 4.43Å; H120-F129 AromaticContact CE1-CE2 3.77Å; H120-F129 AromaticContact ND1-CE2 3.47Å; H120-F129 WeakPolarHBondContact ND1-CE2 3.4Å; H120-R132 VanDerWaalsContact CE1-CD 3.49Å; H120-R132 WeakPolarHBondContact CE1-CD 3.15Å; H120-R132 WeakPolarHBondContact ND1-CD 3.49Å; H120-R132 PolarHBondContact ND1-NH1 3.06Å; H120-L146 PolarHBondContact N-O 2.8Å; H120-V147 HydrophobicContact CB-CG1 4.39Å; H120-V147 HydrophobicContact CB-CG2 4.24Å; H120-I148 PolarHBondContact O-N 2.9Å
121	T	87.1	Confident	80.2	Confident	24 Å²	24	60.5 Å²	60.5	15%	0.147	32%	0.318	C	S	.	.	S	Bend	trans	-91	-21.1	-176	58.5	0	0	0	0	113.4	L36 L52 I53 C54 L63 I119	L36-T121 HydrophobicContact CD2-CG2 3.88Å; L52-T121 HydrophobicContact CD2-CG2 3.96Å; I53-T121 PolarHBondContact O-N 2.89Å; I53-T121 PolarHBondContact O-OG1 3.47Å; C54-T121 PolarHBondContact SG-OG1 3.3Å; L63-T121 HydrophobicContact CD2-CG2 3.9Å; I119-T121 HydrophobicContact CG2-CG2 3.95Å; I119-T121 PolarHBondContact O-N 3.35Å
122	T	84.1	Confident	81	Confident	46 Å²	46	58.6 Å²	58.6	28%	0.282	30%	0.299	S	S	.	.	S	Bend	trans	-138.1	139.3	164.4	50.5	0	0	0	0	109.2	C54 Q55 E59 R132	C54-T122 WeakPolarHBondContact CA-OG1 3.03Å; Q55-T122 PolarHBondContact N-OG1 3.04Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.15Å; E59-T122 PolarHBondContact OE2-OG1 2.88Å; T122-R132 PolarHBondContact O-NH1 2.89Å
123	L	81.3	Confident	81.7	Confident	72 Å²	72	55.1 Å²	55.1	38%	0.377	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-96.5	129.8	177.7	-75.7	177.5	0	0	0	110.4	H120 F129 V147 T149	H120-L123 HydrophobicContact CB-CD2 4.43Å; L123-F129 HydrophobicContact CD2-CD2 3.77Å; L123-F129 HydrophobicContact CD2-CE2 3.4Å; L123-F129 VanDerWaalsContact CD2-CE2 3.4Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; L123-V147 HydrophobicContact CD1-CG1 3.78Å; L123-V147 HydrophobicContact CD2-CG1 3.73Å; L123-V147 HydrophobicContact CG-CG1 3.88Å; L123-T149 HydrophobicContact CD1-CG2 3.79Å
124	P	79.2	Confident	82	Confident	14 Å²	14	61.7 Å²	61.7	9%	0.091	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-88.3	172.6	170.6	38.9	-34.1	0	0	0	111	Q55 K128 F129	Q55-P124 HydrophobicContact CG-CB 4.19Å; P124-K128 HydrophobicContact CB-CB 3.91Å; P124-K128 HydrophobicContact CG-CB 4.13Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.43Å
125	E	78	Confident	82.5	Confident	127 Å²	127	58.5 Å²	58.5	59%	0.593	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-50.6	147.2	169.8	-61.4	159.3	157.1	0	0	112	N127 K128 F129	E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.77Å; E125-N127 VanDerWaalsContact O-N 3.12Å; E125-K128 WeakPolarHBondContact O-CA 3.4Å; E125-K128 WeakPolarHBondContact O-CB 3.46Å; E125-K128 PolarHBondContact O-N 3.03Å; E125-K128 IonicContact OE2-NZ 2.97Å; E125-K128 PolarHBondContact OE2-NZ 3.17Å; E125-F129 PolarHBondContact O-N 2.96Å
126	L	74.6	Confident	82.5	Confident	113 Å²	113	58.3 Å²	58.3	59%	0.592	28%	0.284	S	S	*	.	H	α-helix	trans	-46.8	-49.4	-171.3	-175.5	63.3	0	0	0	113.8	K128 F129 E130	L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 2.96Å; L126-F129 CarbonylContact O-C 3.55Å; L126-F129 WeakPolarHBondContact O-CA 3.39Å; L126-F129 WeakPolarHBondContact O-CB 3.48Å; L126-F129 PolarHBondContact O-N 2.83Å; L126-E130 WeakPolarHBondContact O-CG 3.3Å; L126-E130 PolarHBondContact O-N 2.82Å
127	N	73.8	Confident	82.1	Confident	130 Å²	130	58 Å²	58	70%	0.695	29%	0.287	S	S	*	.	H	α-helix	trans	-59	-36.4	-179.6	-57.4	-4.5	0	0	0	113	E125 E131	E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.77Å; E125-N127 VanDerWaalsContact O-N 3.12Å; N127-E131 PolarHBondContact O-N 3.07Å
128	K	76.9	Confident	81.4	Confident	97 Å²	97	61.8 Å²	61.8	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-80.6	-28.3	176.4	-70	170.9	-176.1	148	0	111.7	P124 E125 L126 E131 R132	P124-K128 HydrophobicContact CB-CB 3.91Å; P124-K128 HydrophobicContact CG-CB 4.13Å; E125-K128 WeakPolarHBondContact O-CA 3.4Å; E125-K128 WeakPolarHBondContact O-CB 3.46Å; E125-K128 PolarHBondContact O-N 3.03Å; E125-K128 IonicContact OE2-NZ 2.97Å; E125-K128 PolarHBondContact OE2-NZ 3.17Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 2.96Å; K128-E131 PolarHBondContact O-N 3.41Å; K128-R132 WeakPolarHBondContact O-CB 3.33Å; K128-R132 PolarHBondContact O-N 3.21Å
129	F	82.8	Confident	80.5	Confident	26 Å²	26	61.9 Å²	61.9	11%	0.114	31%	0.308	C	S	.	.	H	α-helix	trans	-68.5	-41.9	171.9	-173.2	-111.2	0	0	0	110.8	F21 H120 L123 P124 E125 L126 E131 R132 L133	F21-F129 HydrophobicContact CE1-CZ 4.38Å; H120-F129 AromaticContact CE1-CE2 3.77Å; H120-F129 AromaticContact ND1-CE2 3.47Å; H120-F129 WeakPolarHBondContact ND1-CE2 3.4Å; L123-F129 HydrophobicContact CD2-CD2 3.77Å; L123-F129 HydrophobicContact CD2-CE2 3.4Å; L123-F129 VanDerWaalsContact CD2-CE2 3.4Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.43Å; E125-F129 PolarHBondContact O-N 2.96Å; L126-F129 CarbonylContact O-C 3.55Å; L126-F129 WeakPolarHBondContact O-CA 3.39Å; L126-F129 WeakPolarHBondContact O-CB 3.48Å; L126-F129 PolarHBondContact O-N 2.83Å; F129-E131 PolarHBondContact O-N 3.36Å; F129-R132 WeakPolarHBondContact O-CB 3.4Å; F129-R132 PolarHBondContact O-N 2.96Å; F129-L133 HydrophobicContact CD1-CD1 4Å; F129-L133 HydrophobicContact CD1-CG 4.37Å; F129-L133 HydrophobicContact CE1-CD1 3.65Å; F129-L133 HydrophobicContact CE1-CG 4.18Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.32Å; F129-L133 HydrophobicContact CZ-CG 4.36Å; F129-L133 WeakPolarHBondContact O-CG 3.14Å; F129-L133 PolarHBondContact O-N 3.25Å
130	E	79.9	Confident	79.4	Confident	114 Å²	114	62 Å²	62	53%	0.533	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-41.8	171.4	-71.5	-179.2	-178.1	0	0	112	L126 L133 K134	L126-E130 WeakPolarHBondContact O-CG 3.3Å; L126-E130 PolarHBondContact O-N 2.82Å; E130-L133 PolarHBondContact O-N 3.42Å; E130-K134 WeakPolarHBondContact O-CB 3.38Å; E130-K134 PolarHBondContact O-N 3.27Å
131	E	79.9	Confident	78.1	Confident	109 Å²	109	71 Å²	71	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-45	172.2	-172.7	177.2	-172.5	0	0	112	N127 K128 F129 L133 K134 W135	N127-E131 PolarHBondContact O-N 3.07Å; K128-E131 PolarHBondContact O-N 3.41Å; F129-E131 PolarHBondContact O-N 3.36Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.95Å; E131-K134 WeakPolarHBondContact O-CB 3.32Å; E131-K134 PolarHBondContact O-N 3.47Å; E131-W135 VanDerWaalsContact O-CD1 3.23Å; E131-W135 PolarHBondContact O-N 3.35Å
132	R	88.2	Confident	77.2	Confident	1 Å²	1	77.9 Å²	77.9	0%	0.004	38%	0.378	C	S	.	.	H	α-helix	trans	-56.9	-45.8	174.4	177.8	-172.8	-66.5	-177.6	7.6	111.2	D104 L107 H120 T122 K128 F129 W135 L136	D104-R132 IonicContact OD1-CZ 3.06Å; D104-R132 IonicContact OD1-NE 3.18Å; D104-R132 PolarHBondContact OD1-NE 3.3Å; D104-R132 IonicContact OD1-NH2 2.65Å; D104-R132 PolarHBondContact OD1-NH2 2.85Å; D104-R132 IonicContact OD2-CZ 3.49Å; D104-R132 IonicContact OD2-NE 3.76Å; D104-R132 IonicContact OD2-NH2 3.17Å; D104-R132 PolarHBondContact OD2-NH2 3.26Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.8Å; H120-R132 VanDerWaalsContact CE1-CD 3.49Å; H120-R132 WeakPolarHBondContact CE1-CD 3.15Å; H120-R132 WeakPolarHBondContact ND1-CD 3.49Å; H120-R132 PolarHBondContact ND1-NH1 3.06Å; T122-R132 PolarHBondContact O-NH1 2.89Å; K128-R132 WeakPolarHBondContact O-CB 3.33Å; K128-R132 PolarHBondContact O-N 3.21Å; F129-R132 WeakPolarHBondContact O-CB 3.4Å; F129-R132 PolarHBondContact O-N 2.96Å; R132-W135 PolarHBondContact O-N 3.18Å; R132-L136 HydrophobicContact CG-CD1 3.93Å; R132-L136 VanDerWaalsContact O-CG 3.28Å; R132-L136 WeakPolarHBondContact O-CG 3.22Å; R132-L136 PolarHBondContact O-N 3.24Å
133	L	83.6	Confident	76.9	Confident	45 Å²	45	76 Å²	76	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-66.1	-37.3	177.6	-68.5	-175.1	0	0	0	112.6	F21 F129 E130 E131 L136 S137	F21-L133 HydrophobicContact CE1-CD1 4.48Å; F21-L133 HydrophobicContact CE1-CD2 3.72Å; F21-L133 HydrophobicContact CZ-CD1 3.96Å; F21-L133 HydrophobicContact CZ-CD2 3.65Å; F21-L133 HydrophobicContact CZ-CG 4.48Å; F129-L133 HydrophobicContact CD1-CD1 4Å; F129-L133 HydrophobicContact CD1-CG 4.37Å; F129-L133 HydrophobicContact CE1-CD1 3.65Å; F129-L133 HydrophobicContact CE1-CG 4.18Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.32Å; F129-L133 HydrophobicContact CZ-CG 4.36Å; F129-L133 WeakPolarHBondContact O-CG 3.14Å; F129-L133 PolarHBondContact O-N 3.25Å; E130-L133 PolarHBondContact O-N 3.42Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.95Å; L133-L136 HydrophobicContact CD2-CD1 4.41Å; L133-L136 PolarHBondContact O-N 2.84Å; L133-S137 WeakPolarHBondContact O-CB 3.11Å; L133-S137 PolarHBondContact O-N 3.19Å
134	K	81.1	Confident	76.9	Confident	144 Å²	144	75.4 Å²	75.4	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-58.7	-48.8	174	-173.9	-178	179.4	-176.1	0	111.2	E130 E131 S137 I138	E130-K134 WeakPolarHBondContact O-CB 3.38Å; E130-K134 PolarHBondContact O-N 3.27Å; E131-K134 WeakPolarHBondContact O-CB 3.32Å; E131-K134 PolarHBondContact O-N 3.47Å; K134-S137 PolarHBondContact O-N 3.31Å; K134-S137 PolarHBondContact O-OG 3.3Å; K134-I138 PolarHBondContact O-N 3.37Å
135	W	81.4	Confident	77.3	Confident	85 Å²	85	75.1 Å²	75.1	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.2	-73.6	111.7	0	0	0	112.3	L107 E108 E131 R132 S137 I138 S139	L107-W135 HydrophobicContact CB-CB 3.95Å; L107-W135 HydrophobicContact CB-CG 4.03Å; E108-W135 HydrophobicContact CB-CH2 3.87Å; E108-W135 HydrophobicContact CB-CZ2 3.98Å; E108-W135 HydrophobicContact CB-CZ3 4.21Å; E131-W135 VanDerWaalsContact O-CD1 3.23Å; E131-W135 PolarHBondContact O-N 3.35Å; R132-W135 PolarHBondContact O-N 3.18Å; W135-S137 VanDerWaalsContact C-N 3.34Å; W135-S137 PolarHBondContact O-N 2.83Å; W135-I138 WeakPolarHBondContact O-CB 3.18Å; W135-I138 PolarHBondContact O-N 2.88Å; W135-I138 VanDerWaalsContact O-N 3.11Å; W135-S139 PolarHBondContact O-N 3.47Å; W135-S139 PolarHBondContact O-OG 2.68Å
136	L	81.4	Confident	77.8	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-32.6	178.5	-69.1	168.6	0	0	0	113.6	I53 L107 V118 R132 L133 I138 S139 A140 M145	I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.86Å; I53-L136 HydrophobicContact CD1-CG 4.3Å; L107-L136 HydrophobicContact CD2-CD2 4.5Å; V118-L136 HydrophobicContact CG1-CD1 4.08Å; V118-L136 HydrophobicContact CG1-CD2 4.23Å; V118-L136 HydrophobicContact CG2-CD2 4.39Å; R132-L136 HydrophobicContact CG-CD1 3.93Å; R132-L136 VanDerWaalsContact O-CG 3.28Å; R132-L136 WeakPolarHBondContact O-CG 3.22Å; R132-L136 PolarHBondContact O-N 3.24Å; L133-L136 HydrophobicContact CD2-CD1 4.41Å; L133-L136 PolarHBondContact O-N 2.84Å; L136-I138 PolarHBondContact O-N 3.45Å; L136-S139 PolarHBondContact O-N 3.01Å; L136-A140 HydrophobicContact CD2-CB 4.29Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 PolarHBondContact O-N 2.97Å; L136-M145 HydrophobicContact CB-CE 4.4Å; L136-M145 HydrophobicContact CD1-SD 4.49Å
137	S	74.7	Confident	78.4	Confident	69 Å²	69	64.3 Å²	64.3	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-24.8	174.2	77.4	0	0	0	0	113.7	L133 K134 W135 R141	L133-S137 WeakPolarHBondContact O-CB 3.11Å; L133-S137 PolarHBondContact O-N 3.19Å; K134-S137 PolarHBondContact O-N 3.31Å; K134-S137 PolarHBondContact O-OG 3.3Å; W135-S137 VanDerWaalsContact C-N 3.34Å; W135-S137 PolarHBondContact O-N 2.83Å; S137-R141 WeakPolarHBondContact O-CG 3.26Å
138	I	71.1	Confident	79	Confident	79 Å²	79	58.5 Å²	58.5	41%	0.405	28%	0.276	S	S	.	.	H	α-helix	trans	-83.6	-48.2	172.8	-61.5	166.5	0	0	0	109.4	K134 W135 L136	K134-I138 PolarHBondContact O-N 3.37Å; W135-I138 WeakPolarHBondContact O-CB 3.18Å; W135-I138 PolarHBondContact O-N 2.88Å; W135-I138 VanDerWaalsContact O-N 3.11Å; L136-I138 PolarHBondContact O-N 3.45Å
139	S	68.8	Low	79	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-80.7	-50.7	-169.5	-59.4	0	0	0	0	114.6	G111 V113 W135 L136	G111-S139 VanDerWaalsContact O-CA 3.26Å; G111-S139 WeakPolarHBondContact O-CA 3.4Å; G111-S139 VanDerWaalsContact O-CB 3.27Å; G111-S139 WeakPolarHBondContact O-CB 3.21Å; G111-S139 PolarHBondContact O-OG 3.21Å; V113-S139 CarbonylContact C-O 3.55Å; V113-S139 PolarHBondContact N-O 3.26Å; W135-S139 PolarHBondContact O-N 3.47Å; W135-S139 PolarHBondContact O-OG 2.68Å; L136-S139 PolarHBondContact O-N 3.01Å
140	A	68.1	Low	78	Confident	2 Å²	2	57.2 Å²	57.2	2%	0.017	28%	0.28	C	S	.	.	S	Bend	trans	-123	59.5	-163.8	0	0	0	0	0	111.7	A115 V118 L136 N142 A143	A115-A140 HydrophobicContact CB-CB 4.16Å; V118-A140 HydrophobicContact CG2-CB 4.16Å; L136-A140 HydrophobicContact CD2-CB 4.29Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 PolarHBondContact O-N 2.97Å; A140-N142 PolarHBondContact O-N 3.32Å; A140-A143 HydrophobicContact CB-CB 4.38Å; A140-A143 PolarHBondContact O-N 3.22Å
141	R	64.8	Low	76.5	Confident	190 Å²	190	53.7 Å²	53.7	72%	0.717	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	136.2	-179.2	-68.9	-176.1	175.1	-169.9	-0.8	111.9	S137 A143	S137-R141 WeakPolarHBondContact O-CG 3.26Å; R141-A143 PolarHBondContact O-N 3.15Å
142	N	67	Low	74.8	Confident	168 Å²	168	52.8 Å²	52.8	90%	0.898	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	16	177.4	-51.4	-11.6	0	0	0	115.6	A140	A140-N142 PolarHBondContact O-N 3.32Å
143	A	77.8	Confident	72.3	Confident	6 Å²	6	60.6 Å²	60.6	5%	0.05	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.1	144	171.4	0	0	0	0	0	111.6	A115 V118 A140 R141 M145	A115-A143 VanDerWaalsContact O-CB 3.3Å; A115-A143 WeakPolarHBondContact O-CB 3.43Å; V118-A143 HydrophobicContact CG2-CB 3.84Å; A140-A143 HydrophobicContact CB-CB 4.38Å; A140-A143 PolarHBondContact O-N 3.22Å; R141-A143 PolarHBondContact O-N 3.15Å; A143-M145 HydrophobicContact CB-CE 4.29Å
144	E	82.9	Confident	70.1	Confident	60 Å²	60	63.7 Å²	63.7	28%	0.28	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.1	164.1	-176.7	172.4	-149	0	0	108.7	K13 R43 N116 L117 V118	K13-E144 IonicContact NZ-OE1 3.87Å; K13-E144 PolarHBondContact NZ-OE1 3.06Å; R43-E144 IonicContact CZ-OE2 3.64Å; R43-E144 IonicContact NH1-OE2 2.69Å; R43-E144 IonicContact NH2-OE2 2.99Å; R43-E144 PolarHBondContact NH2-OE2 2.83Å; N116-E144 PolarHBondContact O-N 2.85Å; L117-E144 WeakPolarHBondContact CA-O 3.07Å; L117-E144 HydrophobicContact CD1-CB 4.01Å; L117-E144 HydrophobicContact CD1-CG 4.13Å; V118-E144 PolarHBondContact N-O 2.72Å
145	M	86.8	Confident	67.7	Low	8 Å²	8	62.9 Å²	62.9	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.9	176.2	-59.7	-72	167.7	0	0	108.9	T19 T20 F21 T22 V118 L136 A143	T19-M145 HydrophobicContact CG2-CB 4.43Å; T19-M145 HydrophobicContact CG2-CE 4.15Å; T19-M145 HydrophobicContact CG2-CG 3.43Å; T19-M145 VanDerWaalsContact CG2-CG 3.43Å; T20-M145 PolarHBondContact O-N 3.42Å; F21-M145 CarbonylContact C-O 3.2Å; F21-M145 WeakPolarHBondContact CA-O 3.49Å; F21-M145 HydrophobicContact CB-CB 4.48Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.92Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.6Å; F21-M145 HydrophobicContact CE1-SD 4.35Å; F21-M145 HydrophobicContact CG-CB 3.98Å; F21-M145 HydrophobicContact CZ-CB 4.38Å; F21-M145 HydrophobicContact CZ-CG 4.03Å; T22-M145 PolarHBondContact N-O 3.43Å; V118-M145 HydrophobicContact CB-CE 4.44Å; V118-M145 HydrophobicContact CB-SD 3.69Å; V118-M145 HydrophobicContact CG1-SD 4.03Å; V118-M145 HydrophobicContact CG2-CE 4.38Å; V118-M145 HydrophobicContact CG2-SD 4.27Å; L136-M145 HydrophobicContact CB-CE 4.4Å; L136-M145 HydrophobicContact CD1-SD 4.49Å; A143-M145 HydrophobicContact CB-CE 4.29Å
146	L	87.8	Confident	65.2	Low	13 Å²	13	67.1 Å²	67.1	7%	0.068	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.4	170.8	177	63.1	0	0	0	108.6	T22 A24 F35 T39 L117 V118 I119 H120 I148	T22-L146 HydrophobicContact CG2-CD1 4.17Å; T22-L146 CarbonylContact O-C 3.51Å; T22-L146 WeakPolarHBondContact O-CA 3.34Å; A24-L146 HydrophobicContact CB-CD1 4.1Å; F35-L146 HydrophobicContact CE1-CD2 4.4Å; T39-L146 HydrophobicContact CG2-CD2 4.26Å; L117-L146 HydrophobicContact CD1-CB 4.1Å; V118-L146 PolarHBondContact O-N 3.46Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.32Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.28Å; I119-L146 HydrophobicContact CG1-CD2 4.17Å; I119-L146 HydrophobicContact CG2-CB 4.41Å; I119-L146 HydrophobicContact CG2-CD2 4.12Å; I119-L146 HydrophobicContact CG2-CG 4.23Å; H120-L146 PolarHBondContact N-O 2.8Å; L146-I148 HydrophobicContact CG-CG1 4.4Å
147	V	87.9	Confident	62.8	Low	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.3	176.7	-177.1	0	0	0	0	108.1	F21 T22 Y23 A24 H120 L123 T149	F21-V147 HydrophobicContact CD1-CG2 4.12Å; T22-V147 PolarHBondContact O-N 3.27Å; Y23-V147 WeakPolarHBondContact CA-O 3.38Å; Y23-V147 HydrophobicContact CD1-CB 3.67Å; Y23-V147 HydrophobicContact CD1-CG1 3.7Å; Y23-V147 HydrophobicContact CD1-CG2 4.25Å; Y23-V147 HydrophobicContact CE1-CB 3.79Å; Y23-V147 HydrophobicContact CE1-CG1 3.67Å; Y23-V147 HydrophobicContact CE1-CG2 3.94Å; Y23-V147 HydrophobicContact CG-CB 4.23Å; A24-V147 PolarHBondContact N-O 3.23Å; H120-V147 HydrophobicContact CB-CG1 4.39Å; H120-V147 HydrophobicContact CB-CG2 4.24Å; L123-V147 HydrophobicContact CD1-CG1 3.78Å; L123-V147 HydrophobicContact CD2-CG1 3.73Å; L123-V147 HydrophobicContact CG-CG1 3.88Å; V147-T149 HydrophobicContact CG1-CG2 4.38Å
148	I	86.7	Confident	60.8	Low	7 Å²	7	82.2 Å²	82.2	4%	0.036	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	102.5	176.3	-60.3	179	0	0	0	107.9	P26 F35 L36 I119 H120 L146	P26-I148 HydrophobicContact CG-CG2 3.96Å; F35-I148 HydrophobicContact CD1-CD1 4.09Å; F35-I148 HydrophobicContact CE1-CD1 4.25Å; F35-I148 HydrophobicContact CE1-CG1 4.37Å; L36-I148 HydrophobicContact CB-CD1 4.13Å; L36-I148 HydrophobicContact CD1-CD1 3.88Å; L36-I148 HydrophobicContact CG-CD1 4.43Å; I119-I148 HydrophobicContact CG2-CD1 3.87Å; I119-I148 HydrophobicContact CG2-CG1 4.2Å; H120-I148 PolarHBondContact O-N 2.9Å; L146-I148 HydrophobicContact CG-CG1 4.4Å
149	T	77.5	Confident	58.7	Low	38 Å²	38	81.9 Å²	81.9	23%	0.233	42%	0.417	C	S	.	.			trans	-92.7	111.8	168.8	37.9	0	0	0	0	107.9	A24 S25 P26 L123 V147 C151	A24-T149 PolarHBondContact O-N 3.47Å; A24-T149 PolarHBondContact O-OG1 3.46Å; S25-T149 VanDerWaalsContact CA-O 3.31Å; S25-T149 WeakPolarHBondContact CA-O 3.31Å; S25-T149 PolarHBondContact OG-OG1 3.35Å; P26-T149 WeakPolarHBondContact CD-O 3.42Å; L123-T149 HydrophobicContact CD1-CG2 3.79Å; V147-T149 HydrophobicContact CG1-CG2 4.38Å; T149-C151 PolarHBondContact O-N 2.95Å
150	P	61.7	Low	56.8	Low	59 Å²	59	92.3 Å²	92.3	38%	0.383	46%	0.462	S	S	.	.			trans	-59.2	134.7	171.5	26.8	-33.1	0	0	0	109.3	D152	P150-D152 VanDerWaalsContact C-N 3.33Å; P150-D152 PolarHBondContact O-N 2.72Å; P150-D152 VanDerWaalsContact O-N 3.07Å
151	C	48.5	Very low	54.8	Low	40 Å²	40	95.7 Å²	95.7	27%	0.27	50%	0.497	S	S	.	.			trans	-72.9	96	160.5	-87.2	0	0	0	0	107.6	P26 T149 E153	P26-C151 WeakPolarHBondContact O-CB 3.3Å; P26-C151 PolarHBondContact O-N 3.35Å; T149-C151 PolarHBondContact O-N 2.95Å; C151-E153 PolarHBondContact O-N 3.24Å
152	D	43.7	Very low	53.2	Low	90 Å²	90	95.8 Å²	95.8	48%	0.481	51%	0.506	S	S	.	.			trans	-68.4	118.4	152.6	-57.1	-51.5	0	0	0	106.9	P150 E154 N155	P150-D152 VanDerWaalsContact C-N 3.33Å; P150-D152 PolarHBondContact O-N 2.72Å; P150-D152 VanDerWaalsContact O-N 3.07Å; D152-E154 PolarHBondContact O-N 3.04Å; D152-N155 PolarHBondContact O-N 3.16Å
153	E	35.8	Very low	51.2	Low	165 Å²	165	94.5 Å²	94.5	77%	0.771	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	4	-177.9	-64.2	-169.9	145.8	0	0	113.7	C151	C151-E153 PolarHBondContact O-N 3.24Å
154	E	36	Very low	48.7	Very low	110 Å²	110	103.1 Å²	103.1	51%	0.514	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-27	174	-60.5	179.6	-168.2	0	0	112.5	D152 N911	D152-E154 PolarHBondContact O-N 3.04Å; E154-N911 WeakPolarHBondContact OE1-CB 3.38Å; E154-N911 PolarHBondContact OE1-ND2 3.06Å; E154-N911 WeakPolarHBondContact OE2-CA 3.49Å; E154-N911 VanDerWaalsContact OE2-CB 3.25Å; E154-N911 WeakPolarHBondContact OE2-CB 3.26Å; E154-N911 PolarHBondContact OE2-ND2 3.31Å
155	N	31.3	Very low	46	Very low	127 Å²	127	106.1 Å²	106.1	68%	0.679	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-89.3	-8.5	-169.5	-76.5	-50.4	0	0	0	116.2	D152 K157	D152-N155 PolarHBondContact O-N 3.16Å; N155-K157 VanDerWaalsContact C-N 3.32Å; N155-K157 PolarHBondContact O-N 3.1Å
156	E	28.5	Very low	42.9	Very low	174 Å²	174	114.8 Å²	114.8	81%	0.813	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-89.1	19.1	179	-74.3	-162.2	155.6	0	0	114.4
157	K	31.8	Very low	40	Very low	194 Å²	194	122 Å²	122	84%	0.843	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-122.3	0.2	179.4	-73.9	-174.1	178.9	172.7	0	116.8	N155	N155-K157 VanDerWaalsContact C-N 3.32Å; N155-K157 PolarHBondContact O-N 3.1Å
158	E	32.7	Very low	36.9	Very low	194 Å²	194	128.6 Å²	128.6	91%	0.907	69%	0.685	S	S	*	*	S	Bend	trans	-107.1	85.8	163.9	-64.8	-161.2	150.6	0	0	109.6
159	G	26.9	Very low	33.9	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	72%	0.719	S	S	*	*			trans	-178.3	24.7	-170.4	0	0	0	0	0	118.5
160	K	27.7	Very low	31.4	Very low	221 Å²	221	143.7 Å²	143.7	96%	0.961	75%	0.753	S	S	*	*			trans	-126.7	81.9	167.1	-81.1	-156.9	170.9	-165.5	0	112.1
161	G	27.1	Very low	29.4	Very low	73 Å²	73	151.9 Å²	151.9	75%	0.753	78%	0.776	S	S	*	*			trans	-151.1	92.2	167.3	0	0	0	0	0	108.2
162	E	30.1	Very low	28.2	Very low	192 Å²	192	157.8 Å²	157.8	90%	0.897	80%	0.802	S	S	*	*			trans	-77.5	132.7	179.3	-66	171.2	148.8	0	0	110.3
163	T	25.8	Very low	27.4	Very low	141 Å²	141	159 Å²	159	87%	0.865	81%	0.814	S	S	*	*			trans	-161	137.5	152.5	-7.8	0	0	0	0	109.6
164	E	24.8	Very low	26.7	Very low	188 Å²	188	158.8 Å²	158.8	88%	0.879	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-79.6	154.7	-176.3	-64.7	-179.6	115.8	0	0	112.5
165	P	26.7	Very low	26.1	Very low	122 Å²	122	161.6 Å²	161.6	79%	0.792	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-87.3	116.3	-178.1	32.9	-33	0	0	0	113.2
166	E	22	Very low	25.7	Very low	191 Å²	191	162.1 Å²	162.1	89%	0.893	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-79.8	144.2	162.5	-76.4	-160.3	133.8	0	0	112.1
167	I	26.7	Very low	25.4	Very low	164 Å²	164	159.8 Å²	159.8	84%	0.841	83%	0.829	S	S	*	*			trans	-101.1	111.6	-177.3	-58.3	169.9	0	0	0	110.1
168	V	22.6	Very low	25.1	Very low	138 Å²	138	154.6 Å²	154.6	84%	0.836	82%	0.822	S	S	*	*			trans	-131.4	133.2	160.5	-175.6	0	0	0	0	111.7
169	Q	24.3	Very low	24.7	Very low	159 Å²	159	152.8 Å²	152.8	74%	0.743	82%	0.818	S	S	*	*			trans	-65.1	148.5	-176.2	-54.9	159.3	8.1	0	0	113.3
170	Q	23.6	Very low	24.6	Very low	203 Å²	203	156 Å²	156	95%	0.949	82%	0.818	S	S	*	*			trans	-140.1	160	139.9	-106.8	177.5	41.1	0	0	111
171	R	21.6	Very low	24.6	Very low	231 Å²	231	150.2 Å²	150.2	87%	0.872	81%	0.805	S	S	*	*			trans	-101	150.8	-154.1	-74.1	177.2	171.1	165.9	-3.9	115.1
172	M	21.4	Very low	24.5	Very low	165 Å²	165	153.9 Å²	153.9	81%	0.813	81%	0.805	S	S	*	*			trans	-37.1	159.2	151.1	-76.4	-173.4	81.3	0	0	114.4
173	P	27.8	Very low	24.3	Very low	114 Å²	114	152.2 Å²	152.2	74%	0.74	80%	0.797	S	S	*	*			cis	-141.5	152.1	32.5	39.3	-20.4	0	0	0	119.2
174	L	22.2	Very low	24.3	Very low	161 Å²	161	151.3 Å²	151.3	84%	0.843	79%	0.786	S	S	*	*			trans	-92	137.3	147	-80.7	163	0	0	0	109
175	K	21.9	Very low	24.2	Very low	169 Å²	169	152.1 Å²	152.1	74%	0.735	78%	0.783	S	S	*	*			trans	-97.4	135	165.2	-104.3	-164	167.1	-150.8	0	109.4	D177	K175-D177 IonicContact NZ-OD1 3.93Å
176	V	22.9	Very low	24.2	Very low	138 Å²	138	154.4 Å²	154.4	84%	0.836	78%	0.783	S	S	*	*			trans	-123.8	118.6	159.3	178.6	0	0	0	0	106
177	D	23.4	Very low	24.4	Very low	125 Å²	125	151.6 Å²	151.6	67%	0.668	77%	0.773	S	S	*	*			trans	-88.5	120.9	172.2	-78.2	-49.5	0	0	0	109.2	K175	K175-D177 IonicContact NZ-OD1 3.93Å
178	A	25.7	Very low	24.4	Very low	85 Å²	85	151.8 Å²	151.8	70%	0.702	77%	0.767	S	S	*	*			trans	40.9	131.9	151.9	0	0	0	0	0	119.7
179	L	23.6	Very low	24.5	Very low	156 Å²	156	151.4 Å²	151.4	82%	0.817	76%	0.756	S	S	*	*				-156.4	141	58.9	-156.4	69.1	0	0	0	114.5
180	N	25.8	Very low	24.5	Very low	140 Å²	140	150.1 Å²	150.1	75%	0.749	76%	0.755	S	S	*	*			trans	-20.9	166.7	154.3	-65.7	-14.3	0	0	0	119.7
181	S	27.7	Very low	24.7	Very low	99 Å²	99	146.1 Å²	146.1	69%	0.692	74%	0.744	S	S	*	*			cis	175.4	155.3	-25.7	63.2	0	0	0	0	108.7
182	M	23.9	Very low	26.1	Very low	151 Å²	151	140.3 Å²	140.3	74%	0.744	74%	0.737	S	S	*	*			trans	167.7	113.7	143.6	-95.5	175.8	82.5	0	0	108.8
183	Q	26.9	Very low	27.2	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	73%	0.733	S	S	*	*				80.5	141.3	94.6	-77	-169.3	-2.5	0	0	114.7
184	L	24.1	Very low	27.2	Very low	122 Å²	122	137.8 Å²	137.8	64%	0.639	73%	0.731	S	S	*	*			cis	-166.3	174.6	-25.2	-153.6	116.5	0	0	0	109.1
185	Y	24.4	Very low	27.6	Very low	205 Å²	205	135.1 Å²	135.1	80%	0.804	73%	0.725	S	S	*	*			trans	109.7	123.9	159.3	-71.7	-74.8	0	0	0	119.5
186	E	25.2	Very low	27.9	Very low	171 Å²	171	131.6 Å²	131.6	80%	0.799	72%	0.722	S	S	*	*			trans	-93.4	175.6	169.6	-46.6	157.8	116	0	0	109.8
187	I	27	Very low	28.3	Very low	132 Å²	132	133.2 Å²	133.2	68%	0.677	72%	0.72	S	S	*	*				172.3	110.1	115.7	-89	164	0	0	0	110.8
188	K	26.1	Very low	28.6	Very low	168 Å²	168	133.1 Å²	133.1	73%	0.73	72%	0.72	S	S	*	*			trans	53.2	-178.9	139.6	-49.9	-167.4	-169.7	-177.4	0	119.8
189	E	25.9	Very low	28.8	Very low	129 Å²	129	138.2 Å²	138.2	60%	0.603	72%	0.722	S	S	*	*			cis	-152.8	144.4	8.1	-149.6	145.7	-136	0	0	112.3
190	N	24.7	Very low	29	Very low	133 Å²	133	140 Å²	140	71%	0.711	72%	0.723	S	S	*	*			trans	39.9	152.2	138.3	-66.4	4.7	0	0	0	123.4
191	T	26.4	Very low	29.2	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.724	72%	0.717	S	S	*	*			cis	-172.3	171.3	-27.6	16.1	0	0	0	0	107.7
192	P	51	Low	29.2	Very low	110 Å²	110	141 Å²	141	71%	0.714	73%	0.726	S	S	*	*			trans	-90.4	-157.8	-179.2	43.4	-39.9	0	0	0	111.9
193	P	45.1	Very low	29.4	Very low	113 Å²	113	138 Å²	138	73%	0.734	73%	0.725	S	S	*	*				-133	-152.7	56.7	27.6	-0.7	0	0	0	111.5
194	T	27.9	Very low	29.5	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	73%	0.728	S	S	*	*			cis	-164.9	157.4	9.6	-24.2	0	0	0	0	111.1
195	S	30.2	Very low	29.6	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	73%	0.731	S	S	*	*			trans	55.5	150.3	145.6	56.4	0	0	0	0	122.4
196	S	28.4	Very low	29.7	Very low	94 Å²	94	134.8 Å²	134.8	66%	0.657	73%	0.731	S	S	*	*			cis	-173.2	142.7	-11	48.4	0	0	0	0	112.6
197	E	30.3	Very low	29.8	Very low	173 Å²	173	133.8 Å²	133.8	81%	0.808	73%	0.73	S	S	*	*			trans	56.5	127.6	133.3	-65.2	170.9	161.6	0	0	124.5
198	D	29.9	Very low	29.7	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	73%	0.733	S	S	*	*				108	112.8	121.1	-80	9.7	0	0	0	127
199	Y	29.4	Very low	29.7	Very low	192 Å²	192	129.3 Å²	129.3	75%	0.753	74%	0.738	S	S	*	*			trans	82.2	135.3	130.6	-80	-55	0	0	0	127.5
200	K	28.1	Very low	29.6	Very low	193 Å²	193	127.8 Å²	127.8	84%	0.839	75%	0.747	S	S	*	*			trans	77.2	155.3	149.7	-71	168.9	-179.3	-179	0	120.2
201	A	29.8	Very low	29.8	Very low	76 Å²	76	128 Å²	128	63%	0.628	75%	0.754	S	S	*	*			cis	-172.9	169.1	-25.6	0	0	0	0	0	112
202	E	28.2	Very low	30.1	Very low	185 Å²	185	128 Å²	128	86%	0.864	76%	0.756	S	S	*	*			trans	65.7	100.6	151.5	-75.1	163.8	-169.3	0	0	123.1
203	A	28.1	Very low	28.8	Very low	89 Å²	89	126.9 Å²	126.9	74%	0.736	76%	0.755	S	S	*	*				60.3	139.9	107.5	0	0	0	0	0	125.8
204	D	28.8	Very low	27.8	Very low	149 Å²	149	127.7 Å²	127.7	80%	0.797	76%	0.759	S	S	*	*			trans	91.3	101.5	137.3	-73.8	11.4	0	0	0	126.7
205	V	26.9	Very low	27.7	Very low	115 Å²	115	129.8 Å²	129.8	70%	0.697	76%	0.764	S	S	*	*				44.4	125	128.5	-143	0	0	0	0	122.8
206	L	26.6	Very low	27.7	Very low	151 Å²	151	130.1 Å²	130.1	79%	0.791	76%	0.763	S	S	*	*				167.7	127.9	111.5	-86	171.2	0	0	0	117.6
207	L	26	Very low	27.6	Very low	149 Å²	149	133.6 Å²	133.6	78%	0.78	78%	0.775	S	S	*	*			trans	47.7	118.4	140.2	-76.5	176.1	0	0	0	124.9
208	S	25.4	Very low	27.4	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	77%	0.769	S	S	*	*				114.7	144	109.8	73	0	0	0	0	122.3
209	A	25.5	Very low	27.2	Very low	101 Å²	101	130.4 Å²	130.4	84%	0.835	76%	0.763	S	S	*	*			trans	53	130.8	156.2	0	0	0	0	0	119.7
210	A	25.3	Very low	26.9	Very low	97 Å²	97	129.4 Å²	129.4	80%	0.802	76%	0.763	S	S	*	*			cis	-168.2	168.7	49.3	0	0	0	0	0	114.2
211	T	28.8	Very low	26.8	Very low	138 Å²	138	129.7 Å²	129.7	85%	0.847	77%	0.767	S	S	*	*			trans	-137.6	147.9	166.9	-14.3	0	0	0	0	108.6
212	P	31.8	Very low	26.6	Very low	118 Å²	118	134.5 Å²	134.5	77%	0.766	78%	0.777	S	S	*	*				-156.8	177.9	103	40.2	-21.8	0	0	0	116.6
213	A	23.4	Very low	26.4	Very low	86 Å²	86	134.8 Å²	134.8	71%	0.711	78%	0.778	S	S	*	*			trans	57.3	110.9	159	0	0	0	0	0	118.1
214	T	23.9	Very low	26.3	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	78%	0.779	S	S	*	*			cis	91.7	135.9	20.2	-32.6	0	0	0	0	116.3
215	I	27.2	Very low	26.1	Very low	156 Å²	156	137.7 Å²	137.7	80%	0.8	78%	0.78	S	S	*	*			trans	80.2	140	168.8	-46.5	-175	0	0	0	116.4
216	P	30.7	Very low	26	Very low	112 Å²	112	139.8 Å²	139.8	73%	0.727	79%	0.786	S	S	*	*			cis	-116.7	173.4	-20.1	35.2	-20.5	0	0	0	113.5
217	N	25.2	Very low	26	Very low	168 Å²	168	135.7 Å²	135.7	90%	0.898	77%	0.77	S	S	*	*			trans	-131.2	143	149.8	-164.9	19.5	0	0	0	107.9
218	D	25.6	Very low	26.2	Very low	129 Å²	129	134.6 Å²	134.6	69%	0.69	77%	0.769	S	S	*	*			trans	-145	154.3	-165.4	-167.4	19.3	0	0	0	113.1
219	N	25.9	Very low	26.6	Very low	99 Å²	99	136.5 Å²	136.5	53%	0.529	77%	0.766	S	S	.	*			trans	66.4	100	176.7	-64.6	-76.8	0	0	0	119.7
220	K	24.8	Very low	26.6	Very low	170 Å²	170	135.6 Å²	135.6	74%	0.739	75%	0.748	S	S	*	*				48.8	120	117.8	-59.8	165.2	-171.4	147.4	0	119.8
221	E	25.1	Very low	26.8	Very low	200 Å²	200	134 Å²	134	94%	0.935	74%	0.735	S	S	*	*				-123.6	164.3	122.5	-70.4	-161.4	124.6	0	0	109.3
222	Q	25	Very low	26.9	Very low	177 Å²	177	132 Å²	132	83%	0.827	72%	0.722	S	S	*	*			trans	-119.4	114.5	-173.2	-63.2	178.9	-92.1	0	0	111.1
223	E	24.6	Very low	26.9	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	72%	0.718	S	S	*	*			trans	-86.4	130.2	168.2	-69.8	-165.5	128.6	0	0	111.4
224	I	25.1	Very low	27.2	Very low	147 Å²	147	135.2 Å²	135.2	75%	0.754	71%	0.71	S	S	*	*			trans	-102.2	102	-178.5	-61.4	171.7	0	0	0	108.6	L226	I224-L226 PolarHBondContact O-N 3.22Å
225	N	25.2	Very low	27.5	Very low	153 Å²	153	134.7 Å²	134.7	82%	0.818	70%	0.702	S	S	*	*			trans	-77.5	116.2	172.6	-86.4	-69.9	0	0	0	110.9
226	L	25.2	Very low	27.7	Very low	159 Å²	159	134.2 Å²	134.2	83%	0.832	70%	0.7	S	S	*	*			trans	-91.7	94.4	175.1	-79.3	162.7	0	0	0	110.5	I224	I224-L226 PolarHBondContact O-N 3.22Å
227	S	25.6	Very low	27.5	Very low	65 Å²	65	133.2 Å²	133.2	46%	0.455	70%	0.702	S	S	.	*			trans	-72.4	142.6	164.5	-178.2	0	0	0	0	110.8	E229	S227-E229 PolarHBondContact O-N 3.39Å; S227-E229 PolarHBondContact OG-N 2.66Å; S227-E229 PolarHBondContact OG-OE2 3.25Å
228	V	31.8	Very low	27.6	Very low	125 Å²	125	128.8 Å²	128.8	76%	0.758	68%	0.684	S	S	*	*	S	Bend	trans	-72.6	-17.1	176.5	177.6	0	0	0	0	112
229	E	32.1	Very low	27.8	Very low	146 Å²	146	131.2 Å²	131.2	68%	0.682	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-35.1	-175.7	-63.8	157.8	137.4	0	0	112.7	S227 A231 T232	S227-E229 PolarHBondContact O-N 3.39Å; S227-E229 PolarHBondContact OG-N 2.66Å; S227-E229 PolarHBondContact OG-OE2 3.25Å; E229-A231 PolarHBondContact O-N 3.07Å; E229-T232 PolarHBondContact O-N 2.98Å; E229-T232 VanDerWaalsContact O-N 3.13Å; E229-T232 PolarHBondContact O-OG1 3.11Å
230	D	27.1	Very low	27.8	Very low	83 Å²	83	135 Å²	135	44%	0.444	70%	0.703	S	S	.	*	H	α-helix	trans	-67	-19.2	-177.2	-177.8	58.2	0	0	0	113.5	K234	D230-K234 IonicContact OD1-NZ 2.96Å; D230-K234 PolarHBondContact OD1-NZ 2.66Å; D230-K234 IonicContact OD2-NZ 2.72Å; D230-K234 PolarHBondContact OD2-NZ 3.37Å
231	A	29.3	Very low	27.8	Very low	64 Å²	64	135.7 Å²	135.7	53%	0.529	71%	0.714	S	S	.	*	H	α-helix	trans	-73.1	-26.5	174.7	0	0	0	0	0	113.1	E229	E229-A231 PolarHBondContact O-N 3.07Å
232	T	31.5	Very low	27.7	Very low	94 Å²	94	130.1 Å²	130.1	58%	0.577	71%	0.71	S	S	*	*	H	α-helix	trans	-82.5	-34.3	-175.2	11.1	0	0	0	0	113.9	E229	E229-T232 PolarHBondContact O-N 2.98Å; E229-T232 VanDerWaalsContact O-N 3.13Å; E229-T232 PolarHBondContact O-OG1 3.11Å
233	E	30.3	Very low	27.7	Very low	148 Å²	148	127.5 Å²	127.5	69%	0.692	71%	0.711	S	S	*	*	H	α-helix	trans	-74.3	-37.6	178.9	-63.3	-161.8	128	0	0	112.3	L235 L236 A237	E233-L235 PolarHBondContact O-N 3.03Å; E233-L235 VanDerWaalsContact O-N 3.16Å; E233-L236 PolarHBondContact O-N 3.28Å; E233-A237 PolarHBondContact O-N 3.15Å; E233-A237 VanDerWaalsContact O-N 3.16Å
234	K	29.5	Very low	27.7	Very low	124 Å²	124	124.8 Å²	124.8	54%	0.539	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-19	177.7	-76.4	166	173.8	140	0	113.9	D230 S238	D230-K234 IonicContact OD1-NZ 2.96Å; D230-K234 PolarHBondContact OD1-NZ 2.66Å; D230-K234 IonicContact OD2-NZ 2.72Å; D230-K234 PolarHBondContact OD2-NZ 3.37Å; K234-S238 PolarHBondContact O-OG 3.17Å
235	L	31.8	Very low	27.7	Very low	120 Å²	120	125.6 Å²	125.6	63%	0.628	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-11.9	172.3	-84.4	167.1	0	0	0	114.5	E233	E233-L235 PolarHBondContact O-N 3.03Å; E233-L235 VanDerWaalsContact O-N 3.16Å
236	L	29.7	Very low	27.7	Very low	145 Å²	145	124.1 Å²	124.1	76%	0.759	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-33.8	175.5	-72	169.5	0	0	0	112.2	E233 S238	E233-L236 PolarHBondContact O-N 3.28Å; L236-S238 PolarHBondContact O-N 3.08Å
237	A	26.7	Very low	27.7	Very low	92 Å²	92	121.5 Å²	121.5	76%	0.76	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-1.2	179	0	0	0	0	0	115.1	E233	E233-A237 PolarHBondContact O-N 3.15Å; E233-A237 VanDerWaalsContact O-N 3.16Å
238	S	28.5	Very low	27.6	Very low	75 Å²	75	123.2 Å²	123.2	52%	0.524	73%	0.734	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109	15.1	-170.6	44	0	0	0	0	114.9	K234 L236	K234-S238 PolarHBondContact O-OG 3.17Å; L236-S238 PolarHBondContact O-N 3.08Å
239	F	28.6	Very low	27.4	Very low	180 Å²	180	123.5 Å²	123.5	79%	0.789	74%	0.737	S	S	*	*	S	Bend	trans	-121.8	21.6	-177.8	-86.8	-73.8	0	0	0	115.3
240	E	27.2	Very low	27.1	Very low	178 Å²	178	123.3 Å²	123.3	83%	0.832	74%	0.74	S	S	*	*			trans	-120.9	156	171.8	-64	-162.9	151.4	0	0	112.4
241	L	24.7	Very low	27	Very low	184 Å²	184	127.9 Å²	127.9	96%	0.963	76%	0.759	S	S	*	*			trans	68.2	125.7	-174.4	-65.8	152	0	0	0	115.8
242	G	23.3	Very low	26.9	Very low	83 Å²	83	129.7 Å²	129.7	86%	0.856	77%	0.767	S	S	*	*			trans	168.2	-4.4	174.4	0	0	0	0	0	120.4
243	S	23.4	Very low	26.7	Very low	122 Å²	122	131 Å²	131	85%	0.853	78%	0.781	S	S	*	*			trans	-155.3	103.6	168.7	52.1	0	0	0	0	114.1
244	T	24.2	Very low	27.5	Very low	133 Å²	133	130 Å²	130	82%	0.816	79%	0.787	S	S	*	*			trans	-135.4	112.7	161.2	47.3	0	0	0	0	107.5
245	D	25.2	Very low	27.3	Very low	165 Å²	165	129.3 Å²	129.3	88%	0.882	80%	0.804	S	S	*	*			trans	-176.6	112.8	150.2	-102.7	-18.3	0	0	0	110.8
246	S	26.2	Very low	27	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	82%	0.816	S	S	*	*			trans	178.4	139.1	139.1	30	0	0	0	0	112.3
247	A	25.6	Very low	26.8	Very low	104 Å²	104	126.7 Å²	126.7	86%	0.86	82%	0.821	S	S	*	*			trans	52.8	111	158.7	0	0	0	0	0	119.4
248	A	23.9	Very low	26.7	Very low	101 Å²	101	131.1 Å²	131.1	84%	0.835	82%	0.823	S	S	*	*			trans	-95.1	145.7	159.6	0	0	0	0	0	111.2
249	V	27	Very low	26.5	Very low	132 Å²	132	136.7 Å²	136.7	80%	0.8	84%	0.838	S	S	*	*			trans	-149.4	128.3	156.9	178.6	0	0	0	0	108.8
250	D	24.5	Very low	26.4	Very low	141 Å²	141	134.4 Å²	134.4	75%	0.754	83%	0.834	S	S	*	*			trans	5.2	132.4	146	-59.1	-9.2	0	0	0	117.6
251	E	25.7	Very low	26.2	Very low	179 Å²	179	130 Å²	130	84%	0.836	83%	0.828	S	S	*	*			cis	117.8	158.7	39.8	-100.7	-150.9	163.2	0	0	110
252	S	26.4	Very low	26.5	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	82%	0.824	S	S	*	*			trans	79.9	94.7	158.9	75.7	0	0	0	0	121.8
253	S	28.1	Very low	26.6	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	82%	0.818	S	S	*	*				74	160	124.1	-75.6	0	0	0	0	123.1
254	P	46.4	Very low	26.7	Very low	126 Å²	126	135 Å²	135	82%	0.818	82%	0.822	S	S	*	*			trans	-112.8	168.1	-164.3	42	-33.3	0	0	0	115.3
255	A	25.7	Very low	26.7	Very low	109 Å²	109	133.3 Å²	133.3	90%	0.901	82%	0.815	S	S	*	*			trans	-140.8	145.8	160	0	0	0	0	0	110.6
256	A	25.6	Very low	27.6	Very low	106 Å²	106	130.4 Å²	130.4	88%	0.876	81%	0.806	S	S	*	*			trans	-116.2	144	-177.2	0	0	0	0	0	112.1
257	A	25.6	Very low	27.5	Very low	104 Å²	104	134.9 Å²	134.9	86%	0.86	81%	0.811	S	S	*	*			trans	-134.1	126.1	165.1	0	0	0	0	0	109.5
258	K	25.3	Very low	27.6	Very low	186 Å²	186	135.8 Å²	135.8	81%	0.809	81%	0.805	S	S	*	*			trans	-87.1	156.2	173	-57.6	170	-178.3	174.4	0	108.7
259	F	24.4	Very low	27.7	Very low	191 Å²	191	136.6 Å²	136.6	84%	0.838	80%	0.8	S	S	*	*				-167.7	121.3	114	-109.9	-72.8	0	0	0	113.5
260	N	24.8	Very low	27.6	Very low	133 Å²	133	139 Å²	139	71%	0.711	80%	0.802	S	S	*	*			trans	12.8	128.4	155.2	-54.6	-0.8	0	0	0	121.1
261	A	24.9	Very low	27.8	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	81%	0.806	S	S	*	*			trans	-75.4	173	143.5	0	0	0	0	0	111.1
262	P	29.4	Very low	28	Very low	133 Å²	133	137.3 Å²	137.3	86%	0.864	81%	0.806	S	S	*	*			trans	-117.1	147.2	137.2	34.9	-30.5	0	0	0	112
263	V	26.3	Very low	28.2	Very low	121 Å²	121	138.2 Å²	138.2	73%	0.733	81%	0.808	S	S	*	*			trans	-102.5	139.1	172.8	172.2	0	0	0	0	108.5
264	Y	24.5	Very low	28.6	Very low	238 Å²	238	141.8 Å²	141.8	93%	0.933	81%	0.808	S	S	*	*			trans	-151.1	153.6	144.2	-106.3	-72.5	0	0	0	110.7
265	S	25.8	Very low	28.2	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	80%	0.802	S	S	*	*			trans	-128.6	-163	-170	55.7	0	0	0	0	110.9
266	P	42.8	Very low	28.4	Very low	105 Å²	105	142.3 Å²	142.3	68%	0.682	80%	0.795	S	S	*	*				-112.9	159	-95.8	37.9	-25.2	0	0	0	113.1
267	F	25.2	Very low	28.9	Very low	215 Å²	215	143.4 Å²	143.4	94%	0.943	79%	0.786	S	S	*	*			trans	-142.2	167.4	161.5	-99.5	-75.7	0	0	0	112.5
268	V	26.6	Very low	29.5	Very low	123 Å²	123	141.8 Å²	141.8	75%	0.745	77%	0.773	S	S	*	*			trans	-118.6	168.8	-160.5	173.4	0	0	0	0	110.5
269	T	25.9	Very low	30	Very low	118 Å²	118	140 Å²	140	72%	0.724	77%	0.768	S	S	*	*			trans	93.2	141.3	157.9	5.5	0	0	0	0	119.7
270	E	25.1	Very low	30.5	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	76%	0.758	S	S	*	*			trans	77.2	119.6	157.4	-71.4	171	-157.9	0	0	121.1
271	N	28.6	Very low	31.1	Very low	156 Å²	156	137.3 Å²	137.3	83%	0.834	75%	0.752	S	S	*	*			trans	-74.2	152.3	163	-64.5	-53.9	0	0	0	110.1
272	P	29.6	Very low	31.5	Very low	130 Å²	130	140.6 Å²	140.6	84%	0.844	75%	0.752	S	S	*	*				-127.5	160.5	120.3	35.3	-29.4	0	0	0	113.4
273	T	31.7	Very low	31.6	Very low	121 Å²	121	140.3 Å²	140.3	74%	0.742	74%	0.743	S	S	*	*			trans	-98.9	168.1	-179.2	49.8	0	0	0	0	112.3
274	K	36	Very low	32	Very low	198 Å²	198	138.6 Å²	138.6	86%	0.861	73%	0.733	S	S	*	*			trans	73.1	106.6	169.8	-54.4	172.7	-179.7	175.8	0	116.6
275	S	37.5	Very low	32.3	Very low	101 Å²	101	134.7 Å²	134.7	71%	0.706	72%	0.721	S	S	*	*	S	Bend	trans	-157.5	-40.1	153	-165.8	0	0	0	0	112.9	D277 A278	S275-D277 PolarHBondContact O-N 2.94Å; S275-A278 PolarHBondContact O-N 3.23Å
276	L	31.8	Very low	32.4	Very low	144 Å²	144	133.9 Å²	133.9	75%	0.754	72%	0.715	S	S	*	*	H	α-helix	trans	-75.1	-18.7	-168.5	-80.3	158.1	0	0	0	117	A278	L276-A278 PolarHBondContact O-N 2.98Å
277	D	36.1	Very low	31.7	Very low	129 Å²	129	137.9 Å²	137.9	69%	0.69	72%	0.722	S	S	*	*	H	α-helix	trans	-71.6	-16	176	-70.7	-56.5	0	0	0	113.6	S275 Q281	S275-D277 PolarHBondContact O-N 2.94Å; D277-Q281 WeakPolarHBondContact O-CG 3.27Å
278	A	36.3	Very low	31.7	Very low	71 Å²	71	136.6 Å²	136.6	59%	0.587	72%	0.716	S	S	*	*	H	α-helix	trans	-76.7	-54.1	-175.3	0	0	0	0	0	112.4	S275 L276 F280 Q281	S275-A278 PolarHBondContact O-N 3.23Å; L276-A278 PolarHBondContact O-N 2.98Å; A278-F280 VanDerWaalsContact C-N 3.32Å; A278-F280 PolarHBondContact O-N 2.87Å; A278-Q281 PolarHBondContact O-N 2.92Å
279	E	36.4	Very low	31.6	Very low	149 Å²	149	137.2 Å²	137.2	70%	0.696	72%	0.72	S	S	*	*	H	α-helix	trans	-66	-34.7	-177.7	-65.2	-174.9	126.6	0	0	112	Q281 E282 L283	E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 2.82Å; E279-E282 PolarHBondContact O-N 2.89Å; E279-L283 PolarHBondContact O-N 2.82Å
280	F	35.3	Very low	31.7	Very low	143 Å²	143	138.6 Å²	138.6	63%	0.627	72%	0.718	S	S	*	*	H	α-helix	trans	-67.5	-29.8	177.8	-155.4	-102.2	0	0	0	112.7	A278 L283 V284	A278-F280 VanDerWaalsContact C-N 3.32Å; A278-F280 PolarHBondContact O-N 2.87Å; F280-L283 PolarHBondContact O-N 2.84Å; F280-V284 HydrophobicContact CD1-CG2 4.08Å; F280-V284 HydrophobicContact CE1-CG2 3.92Å; F280-V284 WeakPolarHBondContact O-CG2 3.32Å; F280-V284 PolarHBondContact O-N 2.85Å
281	Q	36.6	Very low	31.6	Very low	124 Å²	124	136.8 Å²	136.8	58%	0.579	71%	0.714	S	S	*	*	H	α-helix	trans	-80.1	-15	177.1	-76	-160.8	26.3	0	0	114.9	D277 A278 E279 K285	D277-Q281 WeakPolarHBondContact O-CG 3.27Å; A278-Q281 PolarHBondContact O-N 2.92Å; E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 2.82Å; Q281-K285 VanDerWaalsContact O-CD 3.31Å; Q281-K285 WeakPolarHBondContact O-CD 3.35Å; Q281-K285 WeakPolarHBondContact O-CE 3.41Å; Q281-K285 VanDerWaalsContact O-CG 3.3Å; Q281-K285 WeakPolarHBondContact O-CG 3.38Å
282	E	34.4	Very low	31.4	Very low	154 Å²	154	135.3 Å²	135.3	72%	0.72	71%	0.71	S	S	*	*	H	α-helix	trans	-79.3	-42.4	163.5	-84.2	-160.4	133.6	0	0	111.4	E279 V284 K285	E279-E282 PolarHBondContact O-N 2.89Å; E282-V284 VanDerWaalsContact C-N 3.25Å; E282-V284 PolarHBondContact O-N 3.43Å; E282-K285 PolarHBondContact O-N 2.85Å
283	L	32	Very low	31.1	Very low	127 Å²	127	138.5 Å²	138.5	67%	0.665	71%	0.711	S	S	*	*	H	α-helix	trans	-56.9	-40.5	178.7	-143.6	84	0	0	0	112.1	E279 F280 K285 S286	E279-L283 PolarHBondContact O-N 2.82Å; F280-L283 PolarHBondContact O-N 2.84Å; L283-K285 VanDerWaalsContact C-N 3.35Å; L283-K285 PolarHBondContact O-N 2.85Å; L283-S286 PolarHBondContact O-N 2.93Å; L283-S286 PolarHBondContact O-OG 2.78Å
284	V	33.4	Very low	30.8	Very low	86 Å²	86	141.7 Å²	141.7	52%	0.521	72%	0.715	S	S	.	*	G	3₁₀ helix	trans	-74.1	-17.7	179.8	172.9	0	0	0	0	113.8	F280 E282 S286	F280-V284 HydrophobicContact CD1-CG2 4.08Å; F280-V284 HydrophobicContact CE1-CG2 3.92Å; F280-V284 WeakPolarHBondContact O-CG2 3.32Å; F280-V284 PolarHBondContact O-N 2.85Å; E282-V284 VanDerWaalsContact C-N 3.25Å; E282-V284 PolarHBondContact O-N 3.43Å; V284-S286 VanDerWaalsContact C-N 3.33Å
285	K	30.5	Very low	30.2	Very low	156 Å²	156	138.9 Å²	138.9	68%	0.678	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-77.8	-15.5	176.3	-77	169	-171.6	165.7	0	113.8	Q281 E282 L283	Q281-K285 VanDerWaalsContact O-CD 3.31Å; Q281-K285 WeakPolarHBondContact O-CD 3.35Å; Q281-K285 WeakPolarHBondContact O-CE 3.41Å; Q281-K285 VanDerWaalsContact O-CG 3.3Å; Q281-K285 WeakPolarHBondContact O-CG 3.38Å; E282-K285 PolarHBondContact O-N 2.85Å; L283-K285 VanDerWaalsContact C-N 3.35Å; L283-K285 PolarHBondContact O-N 2.85Å
286	S	28.6	Very low	29.5	Very low	81 Å²	81	143.3 Å²	143.3	57%	0.566	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-81.2	-18.2	-177	66.7	0	0	0	0	115.1	L283 V284	L283-S286 PolarHBondContact O-N 2.93Å; L283-S286 PolarHBondContact O-OG 2.78Å; V284-S286 VanDerWaalsContact C-N 3.33Å
287	F	27.1	Very low	29	Very low	189 Å²	189	143.3 Å²	143.3	83%	0.829	72%	0.722	S	S	*	*	S	Bend	trans	-125.8	60.5	-173	-88.4	-81.4	0	0	0	114.6
288	K	25.5	Very low	28.3	Very low	187 Å²	187	144.1 Å²	144.1	81%	0.813	73%	0.725	S	S	*	*			trans	-145.5	122.4	156.7	-77.6	-172	178.3	175	0	111.7
289	V	25.4	Very low	27.9	Very low	137 Å²	137	146.3 Å²	146.3	83%	0.83	73%	0.734	S	S	*	*			trans	-166.4	157.5	142.6	130.8	0	0	0	0	109.7
290	Q	27	Very low	28	Very low	146 Å²	146	144.3 Å²	144.3	68%	0.682	73%	0.734	S	S	*	*			trans	-78.4	164.1	-174.4	-46.9	100.6	-47.7	0	0	114.1	V292	Q290-V292 HydrophobicContact CB-CG2 4.37Å
291	N	24.5	Very low	27.6	Very low	143 Å²	143	143.3 Å²	143.3	77%	0.765	74%	0.742	S	S	*	*			trans	-150	131.1	142.9	-84.9	-47.2	0	0	0	106.1
292	V	23.6	Very low	27.1	Very low	125 Å²	125	143.7 Å²	143.7	76%	0.758	76%	0.755	S	S	*	*			cis	63.3	102.2	23.1	-167	0	0	0	0	112.5	Q290	Q290-V292 HydrophobicContact CB-CG2 4.37Å
293	F	24	Very low	26.7	Very low	197 Å²	197	141.6 Å²	141.6	86%	0.864	76%	0.757	S	S	*	*			trans	-124.4	122.8	179.2	-96.1	-83.9	0	0	0	111.4
294	K	23.9	Very low	26.3	Very low	188 Å²	188	142.6 Å²	142.6	82%	0.817	77%	0.768	S	S	*	*			trans	-163.2	120.1	148.5	-117.8	174.1	-178.4	178.9	0	113.4
295	N	24.5	Very low	25.7	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	78%	0.777	S	S	*	*			trans	56.8	122.1	149.2	-58.6	9.4	0	0	0	121.9
296	M	21.5	Very low	25.6	Very low	193 Å²	193	142.7 Å²	142.7	95%	0.951	78%	0.78	S	S	*	*				-150.7	172.3	128.2	-103.7	-163.8	-177.2	0	0	111.1
297	N	21.5	Very low	25.3	Very low	144 Å²	144	147.3 Å²	147.3	77%	0.77	79%	0.792	S	S	*	*			trans	-105.8	167.3	-160.8	-66.3	2.7	0	0	0	112.2
298	L	22.4	Very low	25.1	Very low	146 Å²	146	147.3 Å²	147.3	76%	0.764	80%	0.795	S	S	*	*			cis	-147.9	-155.3	4.4	-114.8	148.7	0	0	0	105.4
299	P	28.6	Very low	25.2	Very low	117 Å²	117	144.6 Å²	144.6	76%	0.76	80%	0.796	S	S	*	*			cis	-122.8	-176.1	-3.2	44	-27.7	0	0	0	114.7
300	P	38.4	Very low	25.1	Very low	108 Å²	108	144.5 Å²	144.5	70%	0.701	80%	0.796	S	S	*	*			trans	-108.1	163.7	-177.1	42.4	-34.5	0	0	0	113.8
301	P	26.5	Very low	25	Very low	122 Å²	122	142.8 Å²	142.8	79%	0.792	80%	0.8	S	S	*	*				-151.4	-173.2	84.6	42.8	-25.5	0	0	0	114.5
302	P	26.4	Very low	25	Very low	131 Å²	131	140.9 Å²	140.9	85%	0.851	80%	0.798	S	S	*	*			cis	-114.7	-179.9	-27.9	37.7	-24.1	0	0	0	112.5
303	S	24.7	Very low	25	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	80%	0.798	S	S	*	*			trans	-105.1	146.2	-172.9	55.6	0	0	0	0	115.6
304	V	24	Very low	25	Very low	147 Å²	147	135.1 Å²	135.1	89%	0.891	79%	0.793	S	S	*	*			trans	-138.5	139.3	144.1	-173.3	0	0	0	0	108.6
305	S	21.6	Very low	25.1	Very low	102 Å²	102	131 Å²	131	71%	0.713	79%	0.794	S	S	*	*			trans	-86.9	176	-179	41.5	0	0	0	0	111.5
306	I	27.3	Very low	25.1	Very low	142 Å²	142	129.4 Å²	129.4	73%	0.728	79%	0.794	S	S	*	*				-156	131.2	56.1	-74.9	158	0	0	0	112.2
307	E	22.6	Very low	25.2	Very low	178 Å²	178	127 Å²	127	83%	0.832	79%	0.785	S	S	*	*			trans	20.1	128.7	143.4	-51	175.5	159.2	0	0	122.5
308	E	23.8	Very low	25.4	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.883	79%	0.793	S	S	*	*			trans	-125.9	145	131.2	-86.3	-164.6	148.3	0	0	109.1
309	P	27.5	Very low	25.4	Very low	130 Å²	130	135 Å²	135	84%	0.844	80%	0.796	S	S	*	*			trans	-87.6	147.4	-172.8	33.2	-35.2	0	0	0	115.3
310	V	23.6	Very low	25.3	Very low	135 Å²	135	137.2 Å²	137.2	82%	0.818	80%	0.796	S	S	*	*			trans	-85.7	145.5	-179.8	171.6	0	0	0	0	112.6
311	S	25.1	Very low	24.6	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	81%	0.806	S	S	*	*			trans	166.5	155.6	135.5	46.5	0	0	0	0	112.9
312	S	23.6	Very low	24.6	Very low	104 Å²	104	142.9 Å²	142.9	73%	0.727	81%	0.806	S	S	*	*			cis	-173.7	157.7	-25.6	55.4	0	0	0	0	110.8
313	A	24.1	Very low	24.4	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	80%	0.803	S	S	*	*			trans	69	155.1	149.9	0	0	0	0	0	119.2
314	S	24.1	Very low	24.6	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	80%	0.799	S	S	*	*			cis	-173.2	148.6	-23.9	53.5	0	0	0	0	112.3
315	A	24.4	Very low	24.7	Very low	102 Å²	102	143.3 Å²	143.3	84%	0.843	80%	0.797	S	S	*	*			trans	65.4	166.3	156.9	0	0	0	0	0	117.2
316	S	24.7	Very low	24.9	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	80%	0.795	S	S	*	*			cis	-144.6	161.8	3.2	59.1	0	0	0	0	112.8
317	D	25.2	Very low	24.8	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	80%	0.802	S	S	*	*			trans	-66	162.9	175.9	-53.6	-97.8	0	0	0	115.4
318	Y	24.8	Very low	24.9	Very low	239 Å²	239	142.8 Å²	142.8	94%	0.937	80%	0.8	S	S	*	*				-156.5	168.6	128.3	-105.4	-69.9	0	0	0	111
319	R	22.7	Very low	25	Very low	219 Å²	219	138.6 Å²	138.6	83%	0.826	79%	0.791	S	S	*	*			trans	-116.1	153.1	-163.3	-70.9	-179.2	175.1	175.7	-2.2	115
320	H	26.1	Very low	24.9	Very low	163 Å²	163	140 Å²	140	76%	0.755	79%	0.79	S	S	*	*			trans	45.5	122.7	152.2	-69.5	-64.4	0	0	0	120.4
321	Q	23.5	Very low	24.9	Very low	194 Å²	194	144.7 Å²	144.7	91%	0.907	79%	0.793	S	S	*	*				-157	172	95.9	-109.6	172.8	-14.6	0	0	111.2
322	I	27	Very low	24.9	Very low	154 Å²	154	144 Å²	144	79%	0.79	78%	0.784	S	S	*	*			trans	-111.3	131.7	178.4	-61.7	170.1	0	0	0	107.4
323	D	22.3	Very low	25	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	79%	0.787	S	S	*	*			trans	-150.9	176.5	152.4	-137.7	-38.7	0	0	0	111.2
324	T	28.7	Very low	25.1	Very low	110 Å²	110	149.8 Å²	149.8	68%	0.675	79%	0.79	S	S	*	*			trans	-102.3	168.1	-152.7	54.3	0	0	0	0	115.8
325	T	26.1	Very low	25.5	Very low	139 Å²	139	149.7 Å²	149.7	85%	0.853	78%	0.781	S	S	*	*			trans	71.9	86.8	166.5	62.1	0	0	0	0	119.6
326	S	25.1	Very low	25.8	Very low	98 Å²	98	149.3 Å²	149.3	69%	0.685	77%	0.772	S	S	*	*			trans	-162.7	152.1	132.1	-176.7	0	0	0	0	109.8	D328	S326-D328 PolarHBondContact OG-N 3.45Å
327	L	26.2	Very low	26.3	Very low	167 Å²	167	148.4 Å²	148.4	87%	0.874	76%	0.763	S	S	*	*			trans	-97.1	-6.9	177.1	-98.8	163	0	0	0	113.7	S329	L327-S329 PolarHBondContact O-N 3.48Å
328	D	25.4	Very low	26.8	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	74%	0.737	S	S	*	*			trans	-89.5	78.2	-173.8	-65.5	-49.3	0	0	0	113.3	S326	S326-D328 PolarHBondContact OG-N 3.45Å
329	S	24	Very low	27.4	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	72%	0.719	S	S	*	*			trans	-170.7	50.2	158	43.8	0	0	0	0	116.2	L327 R331	L327-S329 PolarHBondContact O-N 3.48Å; S329-R331 PolarHBondContact O-N 3.04Å
330	I	26.1	Very low	27.9	Very low	158 Å²	158	130.2 Å²	130.2	81%	0.81	71%	0.708	S	S	*	*			trans	-68.9	97.1	159.9	-59.5	-179.4	0	0	0	108.4	T332	I330-T332 PolarHBondContact O-N 3.24Å
331	R	23.4	Very low	28.4	Very low	235 Å²	235	125.3 Å²	125.3	89%	0.887	70%	0.696	S	S	*	*			trans	-68.8	94.6	173.1	-73.7	-175.5	175.4	-178.9	-0.2	109.9	S329	S329-R331 PolarHBondContact O-N 3.04Å
332	T	25.9	Very low	29.3	Very low	94 Å²	94	118.9 Å²	118.9	58%	0.577	67%	0.669	S	S	*	*			trans	-59.8	145.5	167	42.1	0	0	0	0	110.8	I330	I330-T332 PolarHBondContact O-N 3.24Å
333	V	26.2	Very low	30.2	Very low	131 Å²	131	117 Å²	117	79%	0.794	67%	0.665	S	S	*	*			trans	-61.2	141.6	173	177.8	0	0	0	0	108.8	D335	V333-D335 PolarHBondContact O-N 3Å
334	K	25.2	Very low	31.4	Very low	188 Å²	188	111.3 Å²	111.3	82%	0.817	64%	0.636	S	S	*	*			trans	-62.1	107.6	177.6	-75.1	-173.3	175.1	-176.4	0	110.7	S336	K334-S336 PolarHBondContact O-N 2.82Å; K334-S336 PolarHBondContact O-OG 3.38Å
335	D	33	Very low	32.4	Very low	105 Å²	105	107.6 Å²	107.6	56%	0.561	61%	0.611	S	S	*	*			trans	-53.9	107.7	168	-75.7	-39.2	0	0	0	109	V333	V333-D335 PolarHBondContact O-N 3Å
336	S	30.8	Very low	33.3	Very low	95 Å²	95	103.4 Å²	103.4	66%	0.664	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-86.2	141.4	-177	-64	0	0	0	0	110.4	K334 A338	K334-S336 PolarHBondContact O-N 2.82Å; K334-S336 PolarHBondContact O-OG 3.38Å; S336-A338 PolarHBondContact O-N 3.01Å; S336-A338 VanDerWaalsContact O-N 3.11Å
337	P	35.8	Very low	34.3	Very low	87 Å²	87	103.1 Å²	103.1	57%	0.565	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-61.6	117.6	-174.6	24	-33.6	0	0	0	111.2	S339	P337-S339 PolarHBondContact O-N 3.36Å
338	A	35.7	Very low	35.9	Very low	25 Å²	25	98.6 Å²	98.6	21%	0.207	59%	0.585	C	S	.	*	P	Polyproline II helix	trans	-66.6	131.6	-173.1	0	0	0	0	0	112.1	S336 P766	S336-A338 PolarHBondContact O-N 3.01Å; S336-A338 VanDerWaalsContact O-N 3.11Å; A338-P766 HydrophobicContact CB-CG 3.67Å
339	S	35.5	Very low	38	Very low	79 Å²	79	92.9 Å²	92.9	55%	0.552	56%	0.56	S	S	*	*			trans	-129.4	93.4	173.2	-169.2	0	0	0	0	110.7	P337	P337-S339 PolarHBondContact O-N 3.36Å
340	L	34.7	Very low	40.7	Very low	115 Å²	115	91.4 Å²	91.4	60%	0.602	54%	0.544	S	S	*	.			trans	-102.3	60.2	165.9	-72.6	174.6	0	0	0	109.3	V342	L340-V342 PolarHBondContact O-N 3.35Å
341	A	35	Very low	43.4	Very low	61 Å²	61	84.9 Å²	84.9	50%	0.504	51%	0.511	S	S	.	.			trans	-72.4	68.7	179.4	0	0	0	0	0	111.9
342	V	43.7	Very low	46.3	Very low	58 Å²	58	75 Å²	75	35%	0.352	47%	0.474	S	S	.	.			trans	-70.2	129.5	166.7	176.2	0	0	0	0	107.9	L340 P344 T579 V583	L340-V342 PolarHBondContact O-N 3.35Å; V342-P344 WeakPolarHBondContact O-CD 3.49Å; V342-T579 HydrophobicContact CB-CG2 3.99Å; V342-T579 HydrophobicContact CG1-CG2 4.02Å; V342-T579 HydrophobicContact CG2-CG2 3.73Å; V342-V583 HydrophobicContact CG1-CG1 4.38Å; V342-V583 HydrophobicContact CG1-CG2 4.26Å
343	V	46.6	Very low	48.8	Very low	114 Å²	114	73.1 Å²	73.1	69%	0.691	46%	0.46	S	S	*	.			trans	-97	101.5	-179.3	-179.4	0	0	0	0	109.2
344	P	45.6	Very low	51.5	Low	32 Å²	32	70.6 Å²	70.6	21%	0.208	44%	0.443	C	S	.	.			trans	-108.5	-16.7	-171.3	16.5	5.8	0	0	0	113	V342 S346 Y606	V342-P344 WeakPolarHBondContact O-CD 3.49Å; P344-S346 PolarHBondContact O-N 3.43Å; P344-Y606 HydrophobicContact CB-CE1 4.47Å; P344-Y606 WeakPolarHBondContact CB-OH 3.45Å; P344-Y606 HydrophobicContact CG-CE1 3.89Å; P344-Y606 HydrophobicContact CG-CE2 3.84Å; P344-Y606 WeakPolarHBondContact CG-OH 3.44Å
345	F	50	Low	54.2	Low	31 Å²	31	67.4 Å²	67.4	14%	0.136	43%	0.426	C	S	.	.	S	Bend	trans	-98.8	82.1	-174.3	-55.6	-55.4	0	0	0	108.3	W360 Y606 P733	F345-W360 HydrophobicContact CD1-CB 4.15Å; F345-W360 AromaticContact CD1-CD1 3.47Å; F345-W360 VanDerWaalsContact CD1-CD1 3.47Å; F345-W360 AromaticContact CD1-CD2 3.67Å; F345-W360 HydrophobicContact CD1-CD2 3.67Å; F345-W360 AromaticContact CD1-CE2 3.74Å; F345-W360 HydrophobicContact CD1-CE3 4.43Å; F345-W360 AromaticContact CD1-CG 3.5Å; F345-W360 HydrophobicContact CD1-CG 3.5Å; F345-W360 VanDerWaalsContact CD1-CG 3.5Å; F345-W360 AromaticContact CD1-NE1 3.59Å; F345-W360 HydrophobicContact CE1-CB 3.86Å; F345-W360 HydrophobicContact CE1-CD2 4.13Å; F345-W360 AromaticContact CE1-CG 3.74Å; F345-W360 HydrophobicContact CE1-CG 3.74Å; F345-W360 HydrophobicContact CG-CG 4.48Å; F345-Y606 HydrophobicContact CE2-CE1 4.46Å; F345-Y606 HydrophobicContact CZ-CD1 4.46Å; F345-Y606 AromaticContact CZ-CE1 3.96Å; F345-Y606 HydrophobicContact CZ-CE1 3.96Å; F345-P733 WeakPolarHBondContact O-CB 3.4Å
346	S	45.4	Very low	56.5	Low	52 Å²	52	64 Å²	64	36%	0.364	42%	0.416	S	S	.	.			trans	-51.9	140.6	173.8	61.9	0	0	0	0	110.8	P344 G348 G349 R362	P344-S346 PolarHBondContact O-N 3.43Å; S346-G348 PolarHBondContact O-N 2.89Å; S346-G349 PolarHBondContact O-N 2.99Å; S346-R362 PolarHBondContact OG-NH1 3.38Å
347	A	46.3	Very low	59.3	Low	92 Å²	92	59.5 Å²	59.5	76%	0.76	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	129.8	175.2	0	0	0	0	0	111.2
348	G	58.9	Low	61.9	Low	72 Å²	72	55.5 Å²	55.5	74%	0.742	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.6	-7.3	-178.2	0	0	0	0	0	116.3	S346	S346-G348 PolarHBondContact O-N 2.89Å
349	G	69.9	Low	64.5	Low	25 Å²	25	54.4 Å²	54.4	26%	0.258	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-82.8	153.1	172.5	0	0	0	0	0	114.2	S346	S346-G349 PolarHBondContact O-N 2.99Å
350	I	81.5	Confident	67.1	Low	71 Å²	71	51.5 Å²	51.5	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.1	178.3	-54	171.4	0	0	0	110	Y352 W360 S361 A364	I350-Y352 HydrophobicContact CB-CE2 4.27Å; I350-Y352 HydrophobicContact CG2-CE1 3.87Å; I350-Y352 HydrophobicContact CG2-CE2 4.09Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.41Å; I350-W360 WeakPolarHBondContact O-CA 3.34Å; I350-S361 PolarHBondContact N-O 3.03Å; I350-S361 PolarHBondContact O-N 3.37Å; I350-S361 VanDerWaalsContact O-N 3.14Å; I350-A364 HydrophobicContact CD1-CB 4.34Å
351	T	83.1	Confident	69.7	Low	20 Å²	20	46 Å²	46	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.8	178.2	-53.3	0	0	0	0	112.5	L358 G359 L730 K731	T351-L358 HydrophobicContact CG2-CD1 3.61Å; T351-L358 HydrophobicContact CG2-CG 4.37Å; T351-G359 CarbonylContact C-O 3.51Å; T351-G359 WeakPolarHBondContact CA-O 3.33Å; T351-L730 PolarHBondContact OG1-O 2.87Å; T351-K731 HydrophobicContact CG2-CG 4.19Å; T351-K731 WeakPolarHBondContact O-CE 3.43Å; T351-K731 PolarHBondContact O-NZ 2.69Å; T351-K731 VanDerWaalsContact O-NZ 3.1Å
352	Y	83.1	Confident	72	Confident	27 Å²	27	49 Å²	49	11%	0.106	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.2	175	-53.2	-77.3	0	0	0	111.1	I350 L358 G359 H363 A364 V365 F401	I350-Y352 HydrophobicContact CB-CE2 4.27Å; I350-Y352 HydrophobicContact CG2-CE1 3.87Å; I350-Y352 HydrophobicContact CG2-CE2 4.09Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.41Å; Y352-L358 WeakPolarHBondContact O-CA 3.19Å; Y352-G359 PolarHBondContact N-O 3.43Å; Y352-G359 PolarHBondContact O-N 3.26Å; Y352-H363 PolarHBondContact OH-O 3.05Å; Y352-H363 VanDerWaalsContact OH-O 3.13Å; Y352-A364 WeakPolarHBondContact OH-CA 3.39Å; Y352-V365 WeakPolarHBondContact CE1-O 3.31Å; Y352-V365 HydrophobicContact CE2-CB 4.22Å; Y352-V365 HydrophobicContact CE2-CG2 4.44Å; Y352-V365 PolarHBondContact OH-N 3.17Å; Y352-F401 HydrophobicContact CD1-CE1 4.37Å; Y352-F401 HydrophobicContact CG-CD1 4.46Å; Y352-F401 HydrophobicContact CG-CE1 4.11Å
353	N	79.8	Confident	73.9	Confident	55 Å²	55	48.7 Å²	48.7	29%	0.294	29%	0.29	S	S	.	.			trans	-147.5	46	180	68.1	-40.7	0	0	0	112.7	V357 L358 Y727 K731	N353-V357 WeakPolarHBondContact CA-O 3.33Å; N353-L358 HydrophobicContact CB-CD1 4.42Å; N353-Y727 HydrophobicContact CB-CD2 3.79Å; N353-Y727 HydrophobicContact CB-CG 4.12Å; N353-K731 WeakPolarHBondContact OD1-CE 3.26Å; N353-K731 PolarHBondContact OD1-NZ 3.32Å
354	N	81.1	Confident	75.9	Confident	79 Å²	79	47.3 Å²	47.3	42%	0.422	29%	0.29	S	S	.	.			trans	-110.7	153.4	-177.9	-61.6	-29.5	0	0	0	111.2	G356 V357 F401	N354-G356 PolarHBondContact O-N 3.37Å; N354-V357 PolarHBondContact O-N 2.88Å; N354-F401 HydrophobicContact CB-CZ 4.12Å
355	Y	83.1	Confident	77.9	Confident	121 Å²	121	46.3 Å²	46.3	48%	0.475	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	22	177.7	-43.3	-65.3	0	0	0	115.3	V357 P367 A397 R400 F401	Y355-V357 VanDerWaalsContact C-N 3.34Å; Y355-P367 HydrophobicContact CE2-CB 4.08Å; Y355-P367 HydrophobicContact CE2-CG 4.01Å; Y355-A397 WeakPolarHBondContact O-CB 3.32Å; Y355-R400 VanDerWaalsContact CD2-CD 3.49Å; Y355-R400 VanDerWaalsContact CE1-NH1 3.27Å; Y355-F401 HydrophobicContact CD2-CE2 4.16Å; Y355-F401 HydrophobicContact CD2-CZ 4.2Å
356	G	81.8	Confident	79.8	Confident	33 Å²	33	50.5 Å²	50.5	34%	0.34	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-17.7	-178.5	0	0	0	0	0	114.7	N354 Y727	N354-G356 PolarHBondContact O-N 3.37Å; G356-Y727 WeakPolarHBondContact O-CE2 3.27Å; G356-Y727 PolarHBondContact O-OH 2.89Å
357	V	88.7	Confident	82	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.304	C	S	.	.			trans	-88.3	133.2	-177.4	166	0	0	0	0	111.2	N353 N354 Y355 A397 V398 F401 L596 F597	N353-V357 WeakPolarHBondContact CA-O 3.33Å; N354-V357 PolarHBondContact O-N 2.88Å; Y355-V357 VanDerWaalsContact C-N 3.34Å; V357-A397 HydrophobicContact CG2-CB 3.55Å; V357-V398 HydrophobicContact CG1-CG1 4.38Å; V357-V398 HydrophobicContact CG2-CG1 3.65Å; V357-F401 HydrophobicContact CB-CD2 4.49Å; V357-F401 HydrophobicContact CB-CE2 4.06Å; V357-F401 HydrophobicContact CG1-CD2 4.12Å; V357-F401 HydrophobicContact CG1-CE2 4.07Å; V357-L596 HydrophobicContact CG1-CB 4.31Å; V357-L596 HydrophobicContact CG1-CD2 3.94Å; V357-F597 VanDerWaalsContact CA-O 3.3Å; V357-F597 WeakPolarHBondContact CA-O 3.41Å
358	L	90.7	Very high	84.1	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.6	159.8	-171.8	79.2	0	0	0	108.5	T351 Y352 N353 F597 A603 Y727 L730	T351-L358 HydrophobicContact CG2-CD1 3.61Å; T351-L358 HydrophobicContact CG2-CG 4.37Å; Y352-L358 WeakPolarHBondContact O-CA 3.19Å; N353-L358 HydrophobicContact CB-CD1 4.42Å; L358-F597 HydrophobicContact CB-CB 4.34Å; L358-F597 HydrophobicContact CD2-CD2 4.44Å; L358-F597 PolarHBondContact N-O 3.18Å; L358-F597 PolarHBondContact O-N 3.47Å; L358-A603 HydrophobicContact CB-CB 4.2Å; L358-A603 HydrophobicContact CD2-CB 3.84Å; L358-Y727 HydrophobicContact CB-CD1 4.14Å; L358-Y727 HydrophobicContact CB-CE1 3.73Å; L358-Y727 HydrophobicContact CB-CE2 4.35Å; L358-Y727 HydrophobicContact CD1-CD1 3.81Å; L358-Y727 HydrophobicContact CD1-CE1 4.3Å; L358-Y727 HydrophobicContact CD1-CG 3.9Å; L358-Y727 HydrophobicContact CG-CD1 4.41Å; L358-Y727 HydrophobicContact CG-CE1 4.44Å; L358-L730 HydrophobicContact CD1-CB 4.48Å; L358-L730 HydrophobicContact CD1-CD1 4.25Å; L358-L730 HydrophobicContact CD2-CD1 3.59Å
359	G	90.9	Very high	85.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.1	172.7	0	0	0	0	0	111.5	T351 Y352 V595	T351-G359 CarbonylContact C-O 3.51Å; T351-G359 WeakPolarHBondContact CA-O 3.33Å; Y352-G359 PolarHBondContact N-O 3.43Å; Y352-G359 PolarHBondContact O-N 3.26Å; G359-V595 CarbonylContact C-O 3.53Å; G359-V595 VanDerWaalsContact CA-O 3.27Å; G359-V595 WeakPolarHBondContact CA-O 3.4Å
360	W	89.8	Confident	86.2	Confident	18 Å²	18	46.5 Å²	46.5	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.8	169.5	-179.3	92.3	0	0	0	110.5	F345 I350 R362 V593 L594 V595	F345-W360 HydrophobicContact CD1-CB 4.15Å; F345-W360 AromaticContact CD1-CD1 3.47Å; F345-W360 VanDerWaalsContact CD1-CD1 3.47Å; F345-W360 AromaticContact CD1-CD2 3.67Å; F345-W360 HydrophobicContact CD1-CD2 3.67Å; F345-W360 AromaticContact CD1-CE2 3.74Å; F345-W360 HydrophobicContact CD1-CE3 4.43Å; F345-W360 AromaticContact CD1-CG 3.5Å; F345-W360 HydrophobicContact CD1-CG 3.5Å; F345-W360 VanDerWaalsContact CD1-CG 3.5Å; F345-W360 AromaticContact CD1-NE1 3.59Å; F345-W360 HydrophobicContact CE1-CB 3.86Å; F345-W360 HydrophobicContact CE1-CD2 4.13Å; F345-W360 AromaticContact CE1-CG 3.74Å; F345-W360 HydrophobicContact CE1-CG 3.74Å; F345-W360 HydrophobicContact CG-CG 4.48Å; I350-W360 WeakPolarHBondContact O-CA 3.34Å; W360-R362 HydrophobicContact CH2-CG 4.13Å; W360-V593 HydrophobicContact CZ3-CG1 4.01Å; W360-L594 CarbonylContact O-C 3.55Å; W360-L594 WeakPolarHBondContact O-CA 3.3Å; W360-V595 HydrophobicContact CE3-CG2 4.28Å; W360-V595 PolarHBondContact N-O 3Å; W360-V595 PolarHBondContact O-N 3.11Å
361	S	89.6	Confident	86.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153	176.5	179	0	0	0	0	110.8	I350 H363	I350-S361 PolarHBondContact N-O 3.03Å; I350-S361 PolarHBondContact O-N 3.37Å; I350-S361 VanDerWaalsContact O-N 3.14Å; S361-H363 WeakPolarHBondContact CB-O 3.27Å; S361-H363 PolarHBondContact O-N 3.42Å; S361-H363 PolarHBondContact OG-N 3.13Å; S361-H363 PolarHBondContact OG-O 2.85Å
362	R	83.2	Confident	86.3	Confident	123 Å²	123	47.8 Å²	47.8	46%	0.464	26%	0.257	S	S	.	.	S	Bend	trans	-69.2	-20.5	165.9	-61	-173.4	-170	-81.9	-3	112.7	S346 W360 P591	S346-R362 PolarHBondContact OG-NH1 3.38Å; W360-R362 HydrophobicContact CH2-CG 4.13Å; R362-P591 WeakPolarHBondContact CD-O 3.41Å; R362-P591 PolarHBondContact NE-O 3.43Å
363	H	83.9	Confident	86.4	Confident	53 Å²	53	51.5 Å²	51.5	25%	0.245	28%	0.276	C	S	.	.	S	Bend	trans	-113.2	148.7	-171.5	-64.5	-94.3	0	0	0	111.7	Y352 S361 V365 K410 D592	Y352-H363 PolarHBondContact OH-O 3.05Å; Y352-H363 VanDerWaalsContact OH-O 3.13Å; S361-H363 WeakPolarHBondContact CB-O 3.27Å; S361-H363 PolarHBondContact O-N 3.42Å; S361-H363 PolarHBondContact OG-N 3.13Å; S361-H363 PolarHBondContact OG-O 2.85Å; H363-V365 PolarHBondContact O-N 2.79Å; H363-K410 PolarHBondContact CE1-NZ 3.29Å; H363-K410 PolarHBondContact ND1-NZ 3.22Å; H363-D592 IonicContact CD2-OD1 2.9Å; H363-D592 IonicContact CE1-OD1 3.96Å; H363-D592 IonicContact NE2-OD1 3.68Å; H363-D592 PolarHBondContact NE2-OD1 2.91Å
364	A	87.1	Confident	86.5	Confident	84 Å²	84	48.9 Å²	48.9	69%	0.694	26%	0.262	S	S	*	.			trans	-64.2	113.2	173.3	0	0	0	0	0	111.5	I350 Y352	I350-A364 HydrophobicContact CD1-CB 4.34Å; Y352-A364 WeakPolarHBondContact OH-CA 3.39Å
365	V	88.8	Confident	86.2	Confident	12 Å²	12	47.5 Å²	47.5	7%	0.073	26%	0.257	C	S	.	.			trans	-104.5	118.2	173	-177.1	0	0	0	0	109.8	Y352 H363 F401 P404 H405 L594	Y352-V365 WeakPolarHBondContact CE1-O 3.31Å; Y352-V365 HydrophobicContact CE2-CB 4.22Å; Y352-V365 HydrophobicContact CE2-CG2 4.44Å; Y352-V365 PolarHBondContact OH-N 3.17Å; H363-V365 PolarHBondContact O-N 2.79Å; V365-F401 HydrophobicContact CG1-CB 4.22Å; V365-F401 HydrophobicContact CG1-CD1 4.29Å; V365-F401 WeakPolarHBondContact CG1-O 3.35Å; V365-P404 HydrophobicContact CG1-CG 4.34Å; V365-H405 HydrophobicContact CG1-CB 4.49Å; V365-H405 HydrophobicContact CG2-CB 4.27Å; V365-L594 HydrophobicContact CG1-CD2 4.47Å; V365-L594 HydrophobicContact CG2-CD1 4.23Å; V365-L594 HydrophobicContact CG2-CD2 4.36Å
366	V	89.7	Confident	86.3	Confident	118 Å²	118	46.5 Å²	46.5	72%	0.715	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-92.2	119.4	170.9	-179.2	0	0	0	0	108.2	P404	V366-P404 WeakPolarHBondContact O-CG 3.24Å
367	P	91.3	Very high	86.6	Confident	32 Å²	32	45.1 Å²	45.1	21%	0.208	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-78.4	134	-176.7	29.2	-33.2	0	0	0	112.5	Y355 R400 F401	Y355-P367 HydrophobicContact CE2-CB 4.08Å; Y355-P367 HydrophobicContact CE2-CG 4.01Å; P367-R400 CarbonylContact C-O 3.35Å; P367-R400 WeakPolarHBondContact CA-O 3.34Å; P367-R400 HydrophobicContact CB-CB 4.11Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.82Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.26Å; P367-F401 HydrophobicContact CG-CD1 4.4Å; P367-F401 HydrophobicContact CG-CE1 3.98Å; P367-F401 HydrophobicContact CG-CZ 4.5Å
368	C	91.1	Very high	86.6	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.034	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-83.6	142	172.1	62.4	0	0	0	0	111.6	E373 R400	C368-E373 HydrophobicContact CB-CB 3.7Å; C368-R400 PolarHBondContact N-O 2.91Å; C368-R400 WeakPolarHBondContact O-CA 3.44Å; C368-R400 VanDerWaalsContact O-CB 3.25Å; C368-R400 WeakPolarHBondContact O-CB 3.07Å; C368-R400 VanDerWaalsContact O-CG 3.23Å; C368-R400 WeakPolarHBondContact O-CG 3.3Å; C368-R400 PolarHBondContact SG-O 2.99Å; C368-R400 VanDerWaalsContact SG-O 3.42Å
369	Y	87.5	Confident	86.6	Confident	114 Å²	114	51.5 Å²	51.5	45%	0.447	29%	0.285	S	S	.	.	S	Bend	trans	-80.2	-33	176.3	-171.6	-92.4	0	0	0	112.9	E373 R394 A395 R400	Y369-E373 VanDerWaalsContact CB-OE2 3.29Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.26Å; Y369-E373 PolarHBondContact N-OE2 3.27Å; Y369-R394 HydrophobicContact CE1-CB 4.05Å; Y369-A395 WeakPolarHBondContact O-CB 3.36Å; Y369-A395 PolarHBondContact O-N 3.17Å; Y369-R400 PolarHBondContact O-NH2 3.03Å
370	G	85.4	Confident	86.6	Confident	7 Å²	7	54.4 Å²	54.4	7%	0.072	30%	0.3	C	S	.	.	S	Bend	trans	-151.9	178.6	-179.6	0	0	0	0	0	113.9	T372 E373	G370-T372 PolarHBondContact O-N 3.25Å; G370-T372 VanDerWaalsContact O-N 3.16Å; G370-E373 PolarHBondContact O-N 2.98Å; G370-E373 VanDerWaalsContact O-N 3.12Å
371	L	83.3	Confident	86.7	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.047	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23	-176.9	-79.8	169.3	0	0	0	114.5	E373 R382 M385 Q386 A391 W403	L371-E373 VanDerWaalsContact C-N 3.32Å; L371-R382 HydrophobicContact CB-CG 4.43Å; L371-R382 WeakPolarHBondContact O-CD 3.28Å; L371-R382 PolarHBondContact O-NE 2.84Å; L371-R382 PolarHBondContact O-NH1 3.36Å; L371-M385 HydrophobicContact CD1-CB 4.02Å; L371-M385 HydrophobicContact CD1-CE 4.48Å; L371-M385 HydrophobicContact CD2-CE 3.63Å; L371-M385 HydrophobicContact CD2-SD 3.65Å; L371-Q386 HydrophobicContact CD1-CG 4.33Å; L371-A391 HydrophobicContact CD1-CB 4.03Å; L371-A391 HydrophobicContact CG-CB 4.11Å; L371-W403 HydrophobicContact CD2-CE3 4.11Å; L371-W403 HydrophobicContact CD2-CH2 3.5Å; L371-W403 VanDerWaalsContact CD2-CH2 3.5Å; L371-W403 HydrophobicContact CD2-CZ2 4.14Å; L371-W403 HydrophobicContact CD2-CZ3 3.47Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.47Å; L371-W403 HydrophobicContact CG-CH2 3.85Å; L371-W403 HydrophobicContact CG-CZ3 3.79Å
372	T	82.6	Confident	86.7	Confident	108 Å²	108	56.2 Å²	56.2	66%	0.663	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-37	175.4	38.2	0	0	0	0	112.7	G370 R382	G370-T372 PolarHBondContact O-N 3.25Å; G370-T372 VanDerWaalsContact O-N 3.16Å; T372-R382 PolarHBondContact O-NH1 2.82Å
373	E	84.3	Confident	87	Confident	106 Å²	106	57.3 Å²	57.3	50%	0.495	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-6.7	-173.2	-67.8	154.5	-125.2	0	0	113.5	C368 Y369 G370 L371 P375	C368-E373 HydrophobicContact CB-CB 3.7Å; Y369-E373 VanDerWaalsContact CB-OE2 3.29Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.26Å; Y369-E373 PolarHBondContact N-OE2 3.27Å; G370-E373 PolarHBondContact O-N 2.98Å; G370-E373 VanDerWaalsContact O-N 3.12Å; L371-E373 VanDerWaalsContact C-N 3.32Å; E373-P375 WeakPolarHBondContact O-CD 3.25Å
374	A	83.1	Confident	87.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-73.5	114.2	177.8	0	0	0	0	0	110	I377 R382 W403	A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.27Å; A374-R382 PolarHBondContact O-NH2 2.97Å; A374-W403 HydrophobicContact CB-CB 4.14Å; A374-W403 HydrophobicContact CB-CE3 4.05Å
375	P	75.6	Confident	87.5	Confident	49 Å²	49	50.8 Å²	50.8	32%	0.318	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	150.1	-179.1	28.1	-33.6	0	0	0	111	E373 I377 P404 S407	E373-P375 WeakPolarHBondContact O-CD 3.25Å; P375-I377 PolarHBondContact O-N 3.34Å; P375-P404 HydrophobicContact CG-CB 3.81Å; P375-S407 WeakPolarHBondContact O-CB 3.25Å; P375-S407 PolarHBondContact O-OG 3.36Å
376	D	83.7	Confident	87.5	Confident	101 Å²	101	55 Å²	55	54%	0.54	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-3	172.5	-44.2	-36.8	0	0	0	117.6	S378 Q432	D376-S378 PolarHBondContact O-N 2.82Å; D376-Q432 PolarHBondContact O-NE2 3.3Å
377	I	88.1	Confident	87.4	Confident	4 Å²	4	55 Å²	55	2%	0.021	28%	0.277	C	S	.	.			trans	-74.9	117.1	163.8	-53.7	-173.9	0	0	0	108.6	A374 P375 I381 R382 W403	A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.27Å; P375-I377 PolarHBondContact O-N 3.34Å; I377-I381 HydrophobicContact CG2-CB 4.12Å; I377-I381 HydrophobicContact CG2-CG2 3.6Å; I377-R382 HydrophobicContact CG2-CG 4.06Å; I377-R382 VanDerWaalsContact O-CZ 3.27Å; I377-R382 PolarHBondContact O-NE 3.45Å; I377-R382 PolarHBondContact O-NH2 3.4Å; I377-W403 HydrophobicContact CD1-CB 4.1Å; I377-W403 HydrophobicContact CD1-CD2 4.3Å; I377-W403 HydrophobicContact CD1-CG 4Å
378	S	89.9	Confident	87.2	Confident	32 Å²	32	56 Å²	56	22%	0.224	28%	0.28	C	S	.	.			trans	-63.1	155	-178	63.3	0	0	0	0	114.1	D376 I380 I381 R382 Q432	D376-S378 PolarHBondContact O-N 2.82Å; S378-I380 PolarHBondContact O-N 3.01Å; S378-I381 PolarHBondContact O-N 3.47Å; S378-I381 WeakPolarHBondContact OG-CB 3.31Å; S378-I381 WeakPolarHBondContact OG-CG1 3.29Å; S378-I381 PolarHBondContact OG-N 2.77Å; S378-R382 VanDerWaalsContact O-CG 3.28Å; S378-R382 WeakPolarHBondContact O-CG 3.42Å; S378-R382 PolarHBondContact O-N 3.16Å; S378-Q432 VanDerWaalsContact CB-OE1 3.23Å; S378-Q432 PolarHBondContact OG-OE1 3.36Å
379	T	89.6	Confident	87	Confident	106 Å²	106	57.2 Å²	57.2	65%	0.65	29%	0.293	S	S	*	.	H	α-helix	trans	-60.9	-31.9	176.8	50.5	0	0	0	0	113.2	R383	T379-R383 PolarHBondContact O-N 3.09Å; T379-R383 VanDerWaalsContact O-N 3.08Å
380	I	91	Very high	86.9	Confident	61 Å²	61	52.7 Å²	52.7	31%	0.313	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-52.9	175.2	-62.4	175.9	0	0	0	110.3	S378 R382 R383 A384 L473 L474	S378-I380 PolarHBondContact O-N 3.01Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 2.75Å; I380-R383 WeakPolarHBondContact O-CB 3.35Å; I380-R383 PolarHBondContact O-N 3.3Å; I380-R383 VanDerWaalsContact O-N 3.11Å; I380-A384 PolarHBondContact O-N 2.86Å; I380-L473 VanDerWaalsContact CG2-C 3.48Å; I380-L473 HydrophobicContact CG2-CB 3.88Å; I380-L473 WeakPolarHBondContact CG2-O 3.48Å; I380-L474 HydrophobicContact CB-CD2 4.13Å; I380-L474 HydrophobicContact CD1-CD2 4.23Å; I380-L474 HydrophobicContact CG2-CD2 3.86Å; I380-L474 HydrophobicContact CG2-CG 4.22Å
381	I	92.1	Very high	86.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-39.1	178.6	-70.9	-75.4	0	0	0	111.3	I377 S378 R383 A384 M385 P428 Q432 L470 L474	I377-I381 HydrophobicContact CG2-CB 4.12Å; I377-I381 HydrophobicContact CG2-CG2 3.6Å; S378-I381 PolarHBondContact O-N 3.47Å; S378-I381 WeakPolarHBondContact OG-CB 3.31Å; S378-I381 WeakPolarHBondContact OG-CG1 3.29Å; S378-I381 PolarHBondContact OG-N 2.77Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 2.74Å; I381-A384 WeakPolarHBondContact O-CB 3.47Å; I381-A384 PolarHBondContact O-N 2.87Å; I381-M385 HydrophobicContact CG2-CG 4.4Å; I381-M385 HydrophobicContact CG2-SD 4.02Å; I381-M385 WeakPolarHBondContact O-CB 3.42Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.44Å; I381-M385 PolarHBondContact O-N 2.83Å; I381-P428 HydrophobicContact CG2-CB 3.67Å; I381-Q432 HydrophobicContact CD1-CB 4.5Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.22Å; I381-L470 HydrophobicContact CD1-CB 3.95Å; I381-L470 HydrophobicContact CD1-CD2 3.97Å; I381-L470 WeakPolarHBondContact CD1-O 3.43Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; I381-L474 HydrophobicContact CD1-CD1 4.03Å; I381-L474 HydrophobicContact CD1-CG 4.39Å; I381-L474 HydrophobicContact CG1-CD1 4.38Å; I381-L474 HydrophobicContact CG1-CD2 4.38Å
382	R	90.4	Very high	86.1	Confident	56 Å²	56	61.9 Å²	61.9	21%	0.211	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-42.5	172.4	-68.4	172.8	-159.8	-149	-6.4	111.9	L371 T372 A374 I377 S378 I380 M385 Q386	L371-R382 HydrophobicContact CB-CG 4.43Å; L371-R382 WeakPolarHBondContact O-CD 3.28Å; L371-R382 PolarHBondContact O-NE 2.84Å; L371-R382 PolarHBondContact O-NH1 3.36Å; T372-R382 PolarHBondContact O-NH1 2.82Å; A374-R382 PolarHBondContact O-NH2 2.97Å; I377-R382 HydrophobicContact CG2-CG 4.06Å; I377-R382 VanDerWaalsContact O-CZ 3.27Å; I377-R382 PolarHBondContact O-NE 3.45Å; I377-R382 PolarHBondContact O-NH2 3.4Å; S378-R382 VanDerWaalsContact O-CG 3.28Å; S378-R382 WeakPolarHBondContact O-CG 3.42Å; S378-R382 PolarHBondContact O-N 3.16Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 2.75Å; R382-M385 PolarHBondContact O-N 2.77Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.26Å; R382-Q386 PolarHBondContact O-N 3.44Å
383	R	88.4	Confident	85.7	Confident	147 Å²	147	61.9 Å²	61.9	56%	0.555	32%	0.317	S	S	*	.	H	α-helix	trans	-65.6	-44.9	176.9	-175	-175.4	-67.3	151.2	-2.7	111.9	T379 I380 I381 M385 Q386 Q387	T379-R383 PolarHBondContact O-N 3.09Å; T379-R383 VanDerWaalsContact O-N 3.08Å; I380-R383 WeakPolarHBondContact O-CB 3.35Å; I380-R383 PolarHBondContact O-N 3.3Å; I380-R383 VanDerWaalsContact O-N 3.11Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 2.74Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.28Å; R383-Q386 PolarHBondContact O-N 2.96Å; R383-Q387 WeakPolarHBondContact O-CG 3.46Å; R383-Q387 PolarHBondContact O-N 2.97Å
384	A	90.6	Very high	85.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.5	-46.5	175.5	0	0	0	0	0	111.6	I380 I381 Q386 Q387 M388 L470 L473	I380-A384 PolarHBondContact O-N 2.86Å; I381-A384 WeakPolarHBondContact O-CB 3.47Å; I381-A384 PolarHBondContact O-N 2.87Å; A384-Q386 PolarHBondContact O-N 2.96Å; A384-Q387 PolarHBondContact O-N 2.81Å; A384-M388 HydrophobicContact CB-CE 4.21Å; A384-M388 WeakPolarHBondContact O-CE 3.27Å; A384-M388 PolarHBondContact O-N 3.18Å; A384-M388 VanDerWaalsContact O-N 3.14Å; A384-L470 HydrophobicContact CB-CD2 4.02Å; A384-L473 HydrophobicContact CB-CD1 3.54Å
385	M	91.6	Very high	86	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-43.4	176	-71.3	178.2	78.7	0	0	112.5	L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470	L371-M385 HydrophobicContact CD1-CB 4.02Å; L371-M385 HydrophobicContact CD1-CE 4.48Å; L371-M385 HydrophobicContact CD2-CE 3.63Å; L371-M385 HydrophobicContact CD2-SD 3.65Å; I381-M385 HydrophobicContact CG2-CG 4.4Å; I381-M385 HydrophobicContact CG2-SD 4.02Å; I381-M385 WeakPolarHBondContact O-CB 3.42Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.44Å; I381-M385 PolarHBondContact O-N 2.83Å; R382-M385 PolarHBondContact O-N 2.77Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.28Å; M385-M388 CarbonylContact O-C 3.59Å; M385-M388 PolarHBondContact O-N 2.8Å; M385-G389 PolarHBondContact O-N 2.86Å; M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.32Å; M385-V390 HydrophobicContact CE-CG1 3.61Å; M385-V390 WeakPolarHBondContact O-CB 3.34Å; M385-V390 PolarHBondContact O-N 3.3Å; M385-W403 HydrophobicContact CE-CH2 4.04Å; M385-W403 HydrophobicContact CE-CZ2 3.54Å; M385-W424 HydrophobicContact CE-CE3 4.13Å; M385-W424 HydrophobicContact CE-CZ3 4.4Å; M385-W424 HydrophobicContact CG-CZ3 4.08Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.4Å; M385-P428 VanDerWaalsContact CE-CG 3.4Å; M385-P428 HydrophobicContact CG-CG 4.37Å; M385-P428 HydrophobicContact SD-CB 3.55Å; M385-P428 VanDerWaalsContact SD-CB 3.55Å; M385-P428 HydrophobicContact SD-CG 3.45Å; M385-P428 WeakPolarHBondContact SD-CG 3.41Å; M385-L470 HydrophobicContact CG-CD2 4Å
386	Q	88.4	Confident	86.8	Confident	100 Å²	100	68.3 Å²	68.3	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-40.8	178	-75.1	169	-23.3	0	0	112.8	L371 R382 R383 A384 G389	L371-Q386 HydrophobicContact CD1-CG 4.33Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.26Å; R382-Q386 PolarHBondContact O-N 3.44Å; R383-Q386 PolarHBondContact O-N 2.96Å; A384-Q386 PolarHBondContact O-N 2.96Å; Q386-G389 PolarHBondContact O-N 3.16Å
387	Q	87.3	Confident	87.1	Confident	118 Å²	118	64.6 Å²	64.6	55%	0.551	31%	0.314	S	S	*	.	H	α-helix	trans	-60	-49.3	174.9	-73.3	173.5	-22.2	0	0	110.9	R383 A384 G389	R383-Q387 WeakPolarHBondContact O-CG 3.46Å; R383-Q387 PolarHBondContact O-N 2.97Å; A384-Q387 PolarHBondContact O-N 2.81Å; Q387-G389 PolarHBondContact O-N 3.12Å
388	M	87.9	Confident	87.3	Confident	54 Å²	54	64.4 Å²	64.4	27%	0.266	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	6.3	173	-70.7	179.8	-78.6	0	0	114.7	A384 M385 V390 W424 T469 L470	A384-M388 HydrophobicContact CB-CE 4.21Å; A384-M388 WeakPolarHBondContact O-CE 3.27Å; A384-M388 PolarHBondContact O-N 3.18Å; A384-M388 VanDerWaalsContact O-N 3.14Å; M385-M388 CarbonylContact O-C 3.59Å; M385-M388 PolarHBondContact O-N 2.8Å; M388-V390 HydrophobicContact CB-CG2 4.21Å; M388-V390 PolarHBondContact O-N 3.46Å; M388-W424 HydrophobicContact CE-CH2 3.72Å; M388-W424 HydrophobicContact CE-CZ3 4.46Å; M388-W424 HydrophobicContact SD-CH2 3.81Å; M388-W424 HydrophobicContact SD-CZ2 4.18Å; M388-T469 HydrophobicContact CE-CG2 3.76Å; M388-T469 HydrophobicContact CG-CG2 3.86Å; M388-T469 HydrophobicContact SD-CG2 3.65Å; M388-L470 HydrophobicContact CE-CD2 3.75Å; M388-L470 HydrophobicContact CE-CG 3.93Å
389	G	85.4	Confident	87.5	Confident	30 Å²	30	63 Å²	63	31%	0.309	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.7	177.5	0	0	0	0	0	115.5	M385 Q386 Q387 A391	M385-G389 PolarHBondContact O-N 2.86Å; Q386-G389 PolarHBondContact O-N 3.16Å; Q387-G389 PolarHBondContact O-N 3.12Å; G389-A391 PolarHBondContact O-N 3.28Å
390	V	85.2	Confident	87.7	Confident	18 Å²	18	58.5 Å²	58.5	11%	0.109	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	121.2	-178.7	-173.7	0	0	0	0	109.5	M385 M388 R392 W424	M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.32Å; M385-V390 HydrophobicContact CE-CG1 3.61Å; M385-V390 WeakPolarHBondContact O-CB 3.34Å; M385-V390 PolarHBondContact O-N 3.3Å; M388-V390 HydrophobicContact CB-CG2 4.21Å; M388-V390 PolarHBondContact O-N 3.46Å; V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.92Å; V390-W424 HydrophobicContact CG1-CD2 4.24Å; V390-W424 HydrophobicContact CG1-CE3 4.1Å; V390-W424 HydrophobicContact CG2-CD2 3.89Å; V390-W424 HydrophobicContact CG2-CE3 3.98Å; V390-W424 HydrophobicContact CG2-CH2 3.97Å; V390-W424 HydrophobicContact CG2-CZ2 3.86Å; V390-W424 HydrophobicContact CG2-CZ3 4.03Å
391	A	79.1	Confident	87.8	Confident	18 Å²	18	55.6 Å²	55.6	15%	0.149	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	34.2	175.6	0	0	0	0	0	116	L371 G389 S393 R394 W403	L371-A391 HydrophobicContact CD1-CB 4.03Å; L371-A391 HydrophobicContact CG-CB 4.11Å; G389-A391 PolarHBondContact O-N 3.28Å; A391-S393 PolarHBondContact O-N 3.11Å; A391-R394 WeakPolarHBondContact CA-O 3.13Å; A391-R394 WeakPolarHBondContact CB-O 3.38Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.46Å
392	R	73.4	Confident	88	Confident	191 Å²	191	55.6 Å²	55.6	72%	0.721	26%	0.259	S	S	*	.	S	Bend	trans	-45.9	-32.8	177	-77.9	-176.7	177.3	161.5	8.3	114.9	V390	V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.92Å
393	S	74.2	Confident	88.2	Confident	109 Å²	109	53 Å²	53	76%	0.762	25%	0.249	S	C	*	.	S	Bend	trans	-123.2	-26	178.6	59	0	0	0	0	115.2	A391	A391-S393 PolarHBondContact O-N 3.11Å
394	R	85	Confident	88.4	Confident	157 Å²	157	46.6 Å²	46.6	59%	0.592	23%	0.227	S	C	*	.			trans	-165.2	153	178.2	63.5	-175	-178.1	-174.5	0.3	112.1	Y369 A391	Y369-R394 HydrophobicContact CE1-CB 4.05Å; A391-R394 WeakPolarHBondContact CA-O 3.13Å; A391-R394 WeakPolarHBondContact CB-O 3.38Å
395	A	89.9	Confident	88.5	Confident	2 Å²	2	46.8 Å²	46.8	2%	0.017	23%	0.228	C	C	.	.			trans	-69.7	143	169.3	0	0	0	0	0	111.2	Y369 Q399 R400 W403	Y369-A395 WeakPolarHBondContact O-CB 3.36Å; Y369-A395 PolarHBondContact O-N 3.17Å; A395-Q399 HydrophobicContact CB-CB 4.44Å; A395-R400 HydrophobicContact CB-CG 3.92Å; A395-R400 PolarHBondContact O-NE 3.36Å; A395-R400 PolarHBondContact O-NH2 3Å; A395-W403 HydrophobicContact CB-CE3 4.12Å; A395-W403 HydrophobicContact CB-CH2 4.01Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å
396	R	91.3	Very high	88.5	Confident	131 Å²	131	46.8 Å²	46.8	49%	0.494	23%	0.228	S	C	.	.			trans	-73.2	155.9	175.1	-58.2	179.5	173.2	-168.3	-7.9	110.8	V398 Q399 R400 Q419 I420	R396-V398 PolarHBondContact O-N 3.41Å; R396-Q399 HydrophobicContact CB-CG 4.23Å; R396-Q399 VanDerWaalsContact CB-OE1 3.32Å; R396-Q399 VanDerWaalsContact N-OE1 3.11Å; R396-Q399 WeakPolarHBondContact O-CA 3.45Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.31Å; R396-Q399 PolarHBondContact O-N 3.32Å; R396-R400 WeakPolarHBondContact O-CG 3.27Å; R396-R400 PolarHBondContact O-N 2.89Å; R396-Q419 PolarHBondContact NH1-O 2.98Å; R396-I420 VanDerWaalsContact CD-O 3.22Å; R396-I420 WeakPolarHBondContact CD-O 3.48Å
397	A	90.3	Very high	88.6	Confident	23 Å²	23	42.2 Å²	42.2	19%	0.19	21%	0.207	C	C	.	.	H	α-helix	trans	-50	-53.4	-164.4	0	0	0	0	0	114.4	Y355 V357 Q399 R400	Y355-A397 WeakPolarHBondContact O-CB 3.32Å; V357-A397 HydrophobicContact CG2-CB 3.55Å; A397-Q399 PolarHBondContact O-N 3.47Å; A397-R400 WeakPolarHBondContact O-CB 3.32Å; A397-R400 PolarHBondContact O-N 2.97Å
398	V	93.2	Very high	88.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-35.7	176.8	-68.2	0	0	0	0	113.7	V357 R396 R400 F401 A402 V414 I420 L596 D598	V357-V398 HydrophobicContact CG1-CG1 4.38Å; V357-V398 HydrophobicContact CG2-CG1 3.65Å; R396-V398 PolarHBondContact O-N 3.41Å; V398-R400 PolarHBondContact O-N 3.02Å; V398-F401 PolarHBondContact O-N 3.19Å; V398-A402 WeakPolarHBondContact O-CB 3.41Å; V398-A402 PolarHBondContact O-N 3.28Å; V398-V414 HydrophobicContact CB-CG1 3.96Å; V398-V414 HydrophobicContact CG1-CG1 3.96Å; V398-V414 HydrophobicContact CG2-CG1 4.11Å; V398-I420 HydrophobicContact CG1-CD1 4.41Å; V398-I420 HydrophobicContact CG2-CD1 4.39Å; V398-L596 HydrophobicContact CB-CD1 4.07Å; V398-L596 HydrophobicContact CG1-CB 4.29Å; V398-L596 VanDerWaalsContact O-CD1 3.31Å; V398-L596 WeakPolarHBondContact O-CD1 3.3Å; V398-D598 HydrophobicContact CG1-CB 3.85Å
399	Q	93.9	Very high	88.7	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-32	-179.3	-63.4	171.8	-21.5	0	0	112	A395 R396 A397 F401 A402 W403 G421 W424 S425	A395-Q399 HydrophobicContact CB-CB 4.44Å; R396-Q399 HydrophobicContact CB-CG 4.23Å; R396-Q399 VanDerWaalsContact CB-OE1 3.32Å; R396-Q399 VanDerWaalsContact N-OE1 3.11Å; R396-Q399 WeakPolarHBondContact O-CA 3.45Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.31Å; R396-Q399 PolarHBondContact O-N 3.32Å; A397-Q399 PolarHBondContact O-N 3.47Å; Q399-F401 PolarHBondContact O-N 3.39Å; Q399-A402 PolarHBondContact O-N 2.91Å; Q399-W403 HydrophobicContact CB-CD2 4.09Å; Q399-W403 HydrophobicContact CB-CH2 4.35Å; Q399-W403 HydrophobicContact CB-CZ2 3.89Å; Q399-W403 HydrophobicContact CG-CZ2 4.12Å; Q399-W403 WeakPolarHBondContact O-CB 3.34Å; Q399-W403 PolarHBondContact O-N 3.18Å; Q399-G421 PolarHBondContact NE2-O 2.97Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å; Q399-S425 WeakPolarHBondContact CG-OG 3.48Å
400	R	93.1	Very high	88.9	Confident	13 Å²	13	38.2 Å²	38.2	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-55.5	-37.7	177.9	-60.8	-179.6	172	-121.9	-27.3	112.9	Y355 P367 C368 Y369 A395 R396 A397 V398 P404	Y355-R400 VanDerWaalsContact CD2-CD 3.49Å; Y355-R400 VanDerWaalsContact CE1-NH1 3.27Å; P367-R400 CarbonylContact C-O 3.35Å; P367-R400 WeakPolarHBondContact CA-O 3.34Å; P367-R400 HydrophobicContact CB-CB 4.11Å; C368-R400 PolarHBondContact N-O 2.91Å; C368-R400 WeakPolarHBondContact O-CA 3.44Å; C368-R400 VanDerWaalsContact O-CB 3.25Å; C368-R400 WeakPolarHBondContact O-CB 3.07Å; C368-R400 VanDerWaalsContact O-CG 3.23Å; C368-R400 WeakPolarHBondContact O-CG 3.3Å; C368-R400 PolarHBondContact SG-O 2.99Å; C368-R400 VanDerWaalsContact SG-O 3.42Å; Y369-R400 PolarHBondContact O-NH2 3.03Å; A395-R400 HydrophobicContact CB-CG 3.92Å; A395-R400 PolarHBondContact O-NE 3.36Å; A395-R400 PolarHBondContact O-NH2 3Å; R396-R400 WeakPolarHBondContact O-CG 3.27Å; R396-R400 PolarHBondContact O-N 2.89Å; A397-R400 WeakPolarHBondContact O-CB 3.32Å; A397-R400 PolarHBondContact O-N 2.97Å; V398-R400 PolarHBondContact O-N 3.02Å; R400-P404 WeakPolarHBondContact O-CD 3.46Å; R400-P404 WeakPolarHBondContact O-CG 3.47Å
401	F	94.1	Very high	89.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-94.7	-37	178.8	-58.3	-88.6	0	0	0	111.9	Y352 N354 Y355 V357 V365 P367 V398 Q399 P404 L594 L596	Y352-F401 HydrophobicContact CD1-CE1 4.37Å; Y352-F401 HydrophobicContact CG-CD1 4.46Å; Y352-F401 HydrophobicContact CG-CE1 4.11Å; N354-F401 HydrophobicContact CB-CZ 4.12Å; Y355-F401 HydrophobicContact CD2-CE2 4.16Å; Y355-F401 HydrophobicContact CD2-CZ 4.2Å; V357-F401 HydrophobicContact CB-CD2 4.49Å; V357-F401 HydrophobicContact CB-CE2 4.06Å; V357-F401 HydrophobicContact CG1-CD2 4.12Å; V357-F401 HydrophobicContact CG1-CE2 4.07Å; V365-F401 HydrophobicContact CG1-CB 4.22Å; V365-F401 HydrophobicContact CG1-CD1 4.29Å; V365-F401 WeakPolarHBondContact CG1-O 3.35Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.82Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.26Å; P367-F401 HydrophobicContact CG-CD1 4.4Å; P367-F401 HydrophobicContact CG-CE1 3.98Å; P367-F401 HydrophobicContact CG-CZ 4.5Å; V398-F401 PolarHBondContact O-N 3.19Å; Q399-F401 PolarHBondContact O-N 3.39Å; F401-P404 WeakPolarHBondContact O-CD 3.46Å; F401-P404 WeakPolarHBondContact O-CG 3.29Å; F401-L594 HydrophobicContact CB-CD2 4.06Å; F401-L594 WeakPolarHBondContact O-CD2 3.41Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.4Å; F401-L596 HydrophobicContact CG-CD2 4.21Å
402	A	94.9	Very high	90.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-47.2	-175.7	0	0	0	0	0	112.6	V398 Q399 H405 V406 V412 S425 L596	V398-A402 WeakPolarHBondContact O-CB 3.41Å; V398-A402 PolarHBondContact O-N 3.28Å; Q399-A402 PolarHBondContact O-N 2.91Å; A402-H405 PolarHBondContact O-N 2.83Å; A402-V406 VanDerWaalsContact O-CB 3.26Å; A402-V406 WeakPolarHBondContact O-CB 3.44Å; A402-V406 WeakPolarHBondContact O-CG2 3.46Å; A402-V406 PolarHBondContact O-N 3.23Å; A402-V412 HydrophobicContact CB-CG2 4.39Å; A402-S425 WeakPolarHBondContact CB-O 3.46Å; A402-L596 HydrophobicContact CB-CD1 3.93Å
403	W	94.4	Very high	91.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-54.3	-54.8	-179.1	-68.2	-18.6	0	0	0	113.4	L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424	L371-W403 HydrophobicContact CD2-CE3 4.11Å; L371-W403 HydrophobicContact CD2-CH2 3.5Å; L371-W403 VanDerWaalsContact CD2-CH2 3.5Å; L371-W403 HydrophobicContact CD2-CZ2 4.14Å; L371-W403 HydrophobicContact CD2-CZ3 3.47Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.47Å; L371-W403 HydrophobicContact CG-CH2 3.85Å; L371-W403 HydrophobicContact CG-CZ3 3.79Å; A374-W403 HydrophobicContact CB-CB 4.14Å; A374-W403 HydrophobicContact CB-CE3 4.05Å; I377-W403 HydrophobicContact CD1-CB 4.1Å; I377-W403 HydrophobicContact CD1-CD2 4.3Å; I377-W403 HydrophobicContact CD1-CG 4Å; M385-W403 HydrophobicContact CE-CH2 4.04Å; M385-W403 HydrophobicContact CE-CZ2 3.54Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.46Å; A395-W403 HydrophobicContact CB-CE3 4.12Å; A395-W403 HydrophobicContact CB-CH2 4.01Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å; Q399-W403 HydrophobicContact CB-CD2 4.09Å; Q399-W403 HydrophobicContact CB-CH2 4.35Å; Q399-W403 HydrophobicContact CB-CZ2 3.89Å; Q399-W403 HydrophobicContact CG-CZ2 4.12Å; Q399-W403 WeakPolarHBondContact O-CB 3.34Å; Q399-W403 PolarHBondContact O-N 3.18Å; W403-H405 PolarHBondContact O-N 2.83Å; W403-V406 PolarHBondContact O-N 3.17Å; W403-S407 VanDerWaalsContact O-CB 3.3Å; W403-S407 WeakPolarHBondContact O-CB 3.27Å; W403-S407 PolarHBondContact O-N 3.17Å; W403-S407 PolarHBondContact O-OG 2.78Å; W403-W424 PolarHBondContact NE1-O 2.75Å
404	P	92.5	Very high	92.3	Very high	13 Å²	13	22.5 Å²	22.5	8%	0.084	10%	0.101	C	C	.	.	H	α-helix	trans	-67.2	-16.4	179.8	25	-34.4	0	0	0	115.2	V365 V366 P375 R400 F401 L408	V365-P404 HydrophobicContact CG1-CG 4.34Å; V366-P404 WeakPolarHBondContact O-CG 3.24Å; P375-P404 HydrophobicContact CG-CB 3.81Å; R400-P404 WeakPolarHBondContact O-CD 3.46Å; R400-P404 WeakPolarHBondContact O-CG 3.47Å; F401-P404 WeakPolarHBondContact O-CD 3.46Å; F401-P404 WeakPolarHBondContact O-CG 3.29Å; P404-L408 WeakPolarHBondContact O-CD1 3.39Å; P404-L408 WeakPolarHBondContact O-CG 3.26Å
405	H	92.4	Very high	92.7	Very high	5 Å²	5	15 Å²	15	2%	0.023	7%	0.074	C	C	.	.	H	α-helix	trans	-92.7	-41.8	176.4	-176.2	92.4	0	0	0	112	V365 A402 W403 L408 K410 S411 D592 L594	V365-H405 HydrophobicContact CG1-CB 4.49Å; V365-H405 HydrophobicContact CG2-CB 4.27Å; A402-H405 PolarHBondContact O-N 2.83Å; W403-H405 PolarHBondContact O-N 2.83Å; H405-L408 PolarHBondContact O-N 3.43Å; H405-K410 WeakPolarHBondContact NE2-CB 3.35Å; H405-K410 PolarHBondContact O-N 2.77Å; H405-S411 PolarHBondContact CD2-O 3.46Å; H405-S411 PolarHBondContact NE2-O 2.92Å; H405-D592 PolarHBondContact CE1-O 3.08Å; H405-D592 PolarHBondContact NE2-O 3.02Å; H405-L594 HydrophobicContact CB-CB 4.45Å; H405-L594 HydrophobicContact CB-CD2 3.65Å; H405-L594 WeakPolarHBondContact CD2-CB 3.37Å; H405-L594 VanDerWaalsContact NE2-CB 3.33Å; H405-L594 WeakPolarHBondContact NE2-CB 3.3Å; H405-L594 PolarHBondContact NE2-N 2.76Å
406	V	92.8	Very high	92.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-71.3	-36.5	179.3	173.7	0	0	0	0	111.3	A402 W403 L408 G409 V412 T429 Q569 L571	A402-V406 VanDerWaalsContact O-CB 3.26Å; A402-V406 WeakPolarHBondContact O-CB 3.44Å; A402-V406 WeakPolarHBondContact O-CG2 3.46Å; A402-V406 PolarHBondContact O-N 3.23Å; W403-V406 PolarHBondContact O-N 3.17Å; V406-L408 PolarHBondContact O-N 2.78Å; V406-G409 WeakPolarHBondContact O-CA 3.41Å; V406-G409 PolarHBondContact O-N 3.16Å; V406-V412 HydrophobicContact CG2-CB 3.75Å; V406-V412 HydrophobicContact CG2-CG1 3.58Å; V406-V412 HydrophobicContact CG2-CG2 4.31Å; V406-T429 HydrophobicContact CG1-CG2 4.11Å; V406-Q569 PolarHBondContact O-NE2 2.95Å; V406-L571 HydrophobicContact CG1-CD2 4Å; V406-L571 HydrophobicContact CG2-CD2 4.17Å
407	S	89.9	Confident	92.4	Very high	3 Å²	3	13 Å²	13	2%	0.021	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.8	177.8	69.5	0	0	0	0	113.6	P375 W403 G409 R433	P375-S407 WeakPolarHBondContact O-CB 3.25Å; P375-S407 PolarHBondContact O-OG 3.36Å; W403-S407 VanDerWaalsContact O-CB 3.3Å; W403-S407 WeakPolarHBondContact O-CB 3.27Å; W403-S407 PolarHBondContact O-N 3.17Å; W403-S407 PolarHBondContact O-OG 2.78Å; S407-G409 VanDerWaalsContact C-N 3.27Å; S407-G409 PolarHBondContact O-N 3.06Å; S407-R433 PolarHBondContact O-NH2 3.44Å
408	L	88.3	Confident	91.8	Very high	85 Å²	85	16.4 Å²	16.4	45%	0.445	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.2	167.8	-63	176.8	0	0	0	114.1	P404 H405 V406	P404-L408 WeakPolarHBondContact O-CD1 3.39Å; P404-L408 WeakPolarHBondContact O-CG 3.26Å; H405-L408 PolarHBondContact O-N 3.43Å; V406-L408 PolarHBondContact O-N 2.78Å
409	G	88.4	Confident	91.2	Very high	4 Å²	4	24.8 Å²	24.8	4%	0.041	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	16.1	176.7	0	0	0	0	0	115.2	V406 S407 R433 Q569	V406-G409 WeakPolarHBondContact O-CA 3.41Å; V406-G409 PolarHBondContact O-N 3.16Å; S407-G409 VanDerWaalsContact C-N 3.27Å; S407-G409 PolarHBondContact O-N 3.06Å; G409-R433 VanDerWaalsContact N-NH2 3.18Å; G409-Q569 VanDerWaalsContact C-CD 3.45Å; G409-Q569 VanDerWaalsContact C-NE2 3.26Å
410	K	91.4	Very high	90.8	Very high	29 Å²	29	25.9 Å²	25.9	13%	0.126	13%	0.132	C	C	.	.			trans	-92.4	145.3	178.6	-60	-177	-179.4	179.7	0	111.3	H363 H405 Q565 Q569	H363-K410 PolarHBondContact CE1-NZ 3.29Å; H363-K410 PolarHBondContact ND1-NZ 3.22Å; H405-K410 WeakPolarHBondContact NE2-CB 3.35Å; H405-K410 PolarHBondContact O-N 2.77Å; K410-Q565 HydrophobicContact CG-CG 4.3Å; K410-Q569 PolarHBondContact O-NE2 3Å
411	S	94.1	Very high	90.6	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.042	13%	0.133	C	C	.	.			trans	-66	148.9	-176	-60.8	0	0	0	0	112.2	H405 L570 V593 L594	H405-S411 PolarHBondContact CD2-O 3.46Å; H405-S411 PolarHBondContact NE2-O 2.92Å; S411-L570 WeakPolarHBondContact CA-O 3.23Å; S411-L570 WeakPolarHBondContact CB-O 3.44Å; S411-L570 PolarHBondContact OG-N 3.45Å; S411-L570 PolarHBondContact OG-O 3.18Å; S411-V593 WeakPolarHBondContact O-CA 3.49Å; S411-L594 PolarHBondContact O-N 2.98Å
412	V	95.5	Very high	90.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.6	-179.4	78.6	0	0	0	0	111.6	A402 V406 V414 Y426 L570 L571 V572 M590 L594	A402-V412 HydrophobicContact CB-CG2 4.39Å; V406-V412 HydrophobicContact CG2-CB 3.75Å; V406-V412 HydrophobicContact CG2-CG1 3.58Å; V406-V412 HydrophobicContact CG2-CG2 4.31Å; V412-V414 HydrophobicContact CG1-CG2 4.31Å; V412-V414 HydrophobicContact CG2-CG2 3.87Å; V412-Y426 HydrophobicContact CG1-CD1 4.28Å; V412-L570 PolarHBondContact N-O 3.22Å; V412-L571 HydrophobicContact CG1-CD2 3.76Å; V412-V572 PolarHBondContact O-N 3.45Å; V412-M590 VanDerWaalsContact O-CE 3.27Å; V412-M590 WeakPolarHBondContact O-CE 3.36Å; V412-L594 WeakPolarHBondContact CA-O 3.41Å; V412-L594 HydrophobicContact CG2-CB 4.21Å; V412-L594 HydrophobicContact CG2-CD2 4.25Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 VanDerWaalsContact CG2-O 3.32Å; V412-L594 WeakPolarHBondContact CG2-O 3.37Å
413	L	96	Very high	90.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	109.5	172.8	171.2	56.6	0	0	0	108.8	V415 V572 W577 M582 I586 L587 M590 V593 L594 V595 L596	L413-V415 HydrophobicContact CD1-CG2 4Å; L413-V415 HydrophobicContact CG-CG2 4.27Å; L413-V572 WeakPolarHBondContact CA-O 3.48Å; L413-V572 HydrophobicContact CD1-CB 3.74Å; L413-V572 HydrophobicContact CD1-CG1 3.61Å; L413-W577 HydrophobicContact CD2-CH2 3.5Å; L413-W577 VanDerWaalsContact CD2-CH2 3.5Å; L413-W577 HydrophobicContact CD2-CZ3 3.48Å; L413-W577 VanDerWaalsContact CD2-CZ3 3.48Å; L413-W577 HydrophobicContact CG-CZ3 4.11Å; L413-M582 HydrophobicContact CD1-CE 4.33Å; L413-M582 HydrophobicContact CD1-SD 3.99Å; L413-M582 HydrophobicContact CD2-SD 4.12Å; L413-I586 HydrophobicContact CD2-CG2 4.42Å; L413-L587 HydrophobicContact CD2-CD2 4.01Å; L413-M590 HydrophobicContact CB-CE 4.23Å; L413-V593 HydrophobicContact CB-CG2 3.95Å; L413-L594 PolarHBondContact N-O 3.06Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.38Å; L413-V595 HydrophobicContact CD2-CG2 4.47Å; L413-V595 HydrophobicContact CG-CG1 4.41Å; L413-V595 CarbonylContact O-C 3.57Å; L413-V595 WeakPolarHBondContact O-CA 3.49Å; L413-L596 PolarHBondContact O-N 2.93Å
414	V	95.9	Very high	90.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.2	-177.2	-169.6	0	0	0	0	110.3	V398 V412 K422 V572 S573 G574 L596	V398-V414 HydrophobicContact CB-CG1 3.96Å; V398-V414 HydrophobicContact CG1-CG1 3.96Å; V398-V414 HydrophobicContact CG2-CG1 4.11Å; V412-V414 HydrophobicContact CG1-CG2 4.31Å; V412-V414 HydrophobicContact CG2-CG2 3.87Å; V414-K422 HydrophobicContact CB-CD 4.48Å; V414-K422 HydrophobicContact CB-CG 4.44Å; V414-K422 HydrophobicContact CG1-CB 4.42Å; V414-K422 HydrophobicContact CG1-CD 4.23Å; V414-K422 HydrophobicContact CG1-CG 3.9Å; V414-K422 WeakPolarHBondContact O-CD 3.42Å; V414-V572 PolarHBondContact N-O 3.34Å; V414-S573 CarbonylContact O-C 3.58Å; V414-S573 WeakPolarHBondContact O-CA 3.44Å; V414-G574 PolarHBondContact O-N 3.1Å; V414-L596 HydrophobicContact CG1-CB 4.38Å; V414-L596 HydrophobicContact CG2-CD1 4.3Å
415	V	93.9	Very high	90.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.7	-179.2	179.6	0	0	0	0	110.8	L413 W577 L596 F597 D598 E602	L413-V415 HydrophobicContact CD1-CG2 4Å; L413-V415 HydrophobicContact CG-CG2 4.27Å; V415-W577 HydrophobicContact CB-CE3 4.38Å; V415-W577 HydrophobicContact CG1-CB 4.46Å; V415-W577 HydrophobicContact CG2-CE3 3.8Å; V415-W577 HydrophobicContact CG2-CZ3 4.13Å; V415-L596 PolarHBondContact N-O 3.44Å; V415-F597 HydrophobicContact CB-CD1 4.4Å; V415-F597 HydrophobicContact CG1-CD1 4.48Å; V415-F597 WeakPolarHBondContact O-CA 3.19Å; V415-D598 PolarHBondContact O-N 3.25Å; V415-E602 HydrophobicContact CG1-CG 4.4Å
416	G	90.3	Very high	90.8	Very high	1 Å²	1	27 Å²	27	1%	0.01	14%	0.139	C	C	.	.			trans	152.2	-176.1	176.7	0	0	0	0	0	112.1	K422 G574 R575	G416-K422 PolarHBondContact O-NZ 2.78Å; G416-G574 PolarHBondContact N-O 3.07Å; G416-G574 VanDerWaalsContact O-O 3.05Å; G416-R575 CarbonylContact C-O 3.58Å; G416-R575 WeakPolarHBondContact O-CA 3.22Å
417	N	84.4	Confident	91	Very high	90 Å²	90	27 Å²	27	48%	0.481	14%	0.139	S	C	.	.			trans	-55.7	171.6	-168.6	-97.2	-5.5	0	0	0	116	I420 K422	N417-I420 HydrophobicContact CB-CG2 3.98Å; N417-K422 PolarHBondContact O-NZ 2.64Å
418	L	79.1	Confident	91.2	Very high	93 Å²	93	26.9 Å²	26.9	49%	0.487	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	156.5	164	-84.4	-178.7	0	0	0	111.2	I420	L418-I420 PolarHBondContact O-N 3.21Å
419	Q	80.3	Confident	91.4	Very high	177 Å²	177	23.2 Å²	23.2	83%	0.827	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	4.9	173	-60.5	-178.5	-2.1	0	0	117.1	R396 G421	R396-Q419 PolarHBondContact NH1-O 2.98Å; Q419-G421 PolarHBondContact O-N 2.92Å
420	I	84.6	Confident	91.6	Very high	23 Å²	23	23.2 Å²	23.2	12%	0.118	12%	0.118	C	C	.	.	S	Bend	trans	-67.6	-17.6	175.6	70.2	170.9	0	0	0	113.3	R396 V398 N417 L418 K422 D598	R396-I420 VanDerWaalsContact CD-O 3.22Å; R396-I420 WeakPolarHBondContact CD-O 3.48Å; V398-I420 HydrophobicContact CG1-CD1 4.41Å; V398-I420 HydrophobicContact CG2-CD1 4.39Å; N417-I420 HydrophobicContact CB-CG2 3.98Å; L418-I420 PolarHBondContact O-N 3.21Å; I420-K422 HydrophobicContact CD1-CD 4.16Å; I420-K422 HydrophobicContact CD1-CG 3.66Å; I420-K422 HydrophobicContact CG1-CD 4.39Å; I420-K422 HydrophobicContact CG1-CG 3.54Å; I420-D598 HydrophobicContact CD1-CB 3.49Å; I420-D598 VanDerWaalsContact CD1-CB 3.49Å; I420-D598 VanDerWaalsContact CG2-OD2 3.26Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.08Å
421	G	88.9	Confident	91.8	Very high	8 Å²	8	21.9 Å²	21.9	8%	0.082	11%	0.112	C	C	.	.			trans	101.5	28	178.5	0	0	0	0	0	114.9	Q399 Q419 W424 S425	Q399-G421 PolarHBondContact NE2-O 2.97Å; Q419-G421 PolarHBondContact O-N 2.92Å; G421-W424 CarbonylContact O-C 3.55Å; G421-W424 PolarHBondContact O-N 3.48Å; G421-S425 PolarHBondContact O-N 3.42Å; G421-S425 VanDerWaalsContact O-N 3.07Å; G421-S425 PolarHBondContact O-OG 2.93Å
422	K	93.8	Very high	91.7	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.039	11%	0.113	C	C	.	.	S	Bend	trans	-53.6	-57.4	-179.2	-61.4	-163.2	-69.7	-95.7	0	113.4	V414 G416 N417 I420 W424 S425 Y426 N538 S573 G574	V414-K422 HydrophobicContact CB-CD 4.48Å; V414-K422 HydrophobicContact CB-CG 4.44Å; V414-K422 HydrophobicContact CG1-CB 4.42Å; V414-K422 HydrophobicContact CG1-CD 4.23Å; V414-K422 HydrophobicContact CG1-CG 3.9Å; V414-K422 WeakPolarHBondContact O-CD 3.42Å; G416-K422 PolarHBondContact O-NZ 2.78Å; N417-K422 PolarHBondContact O-NZ 2.64Å; I420-K422 HydrophobicContact CD1-CD 4.16Å; I420-K422 HydrophobicContact CD1-CG 3.66Å; I420-K422 HydrophobicContact CG1-CD 4.39Å; I420-K422 HydrophobicContact CG1-CG 3.54Å; K422-W424 VanDerWaalsContact C-N 3.29Å; K422-W424 PolarHBondContact O-N 3.11Å; K422-S425 WeakPolarHBondContact O-CA 3.29Å; K422-S425 WeakPolarHBondContact O-CB 3.34Å; K422-S425 PolarHBondContact O-N 2.97Å; K422-S425 PolarHBondContact O-OG 2.76Å; K422-Y426 VanDerWaalsContact O-CE1 3.3Å; K422-Y426 WeakPolarHBondContact O-CE1 3.25Å; K422-N538 VanDerWaalsContact CE-OD1 3.32Å; K422-N538 WeakPolarHBondContact CE-OD1 3.46Å; K422-S573 WeakPolarHBondContact CB-OG 3.05Å; K422-S573 WeakPolarHBondContact CD-OG 3.09Å; K422-S573 WeakPolarHBondContact CE-OG 3.43Å; K422-G574 WeakPolarHBondContact CD-O 3.19Å; K422-G574 WeakPolarHBondContact CE-O 3.32Å; K422-G574 PolarHBondContact NZ-O 2.91Å
423	T	94.8	Very high	91.5	Very high	17 Å²	17	26.4 Å²	26.4	10%	0.104	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-53.3	-48	177.6	-35.4	0	0	0	0	111.3	S425 Y426 L427 F452 I463 W466 D537	T423-S425 PolarHBondContact O-N 3.23Å; T423-S425 VanDerWaalsContact O-N 3.08Å; T423-Y426 PolarHBondContact O-N 3.34Å; T423-L427 HydrophobicContact CG2-CB 4.44Å; T423-L427 HydrophobicContact CG2-CD2 4.38Å; T423-L427 WeakPolarHBondContact O-CB 3.45Å; T423-L427 PolarHBondContact O-N 2.98Å; T423-F452 HydrophobicContact CG2-CZ 4.04Å; T423-I463 HydrophobicContact CG2-CD1 4.13Å; T423-I463 HydrophobicContact CG2-CG1 4.15Å; T423-W466 HydrophobicContact CG2-CZ3 4.28Å; T423-D537 WeakPolarHBondContact CB-OD2 3.37Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.34Å; T423-D537 PolarHBondContact OG1-OD2 3.5Å
424	W	94.4	Very high	91.4	Very high	22 Å²	22	26.7 Å²	26.7	8%	0.083	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-64.9	-7.7	175.2	-76.6	105.6	0	0	0	115.5	M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470	M385-W424 HydrophobicContact CE-CE3 4.13Å; M385-W424 HydrophobicContact CE-CZ3 4.4Å; M385-W424 HydrophobicContact CG-CZ3 4.08Å; M388-W424 HydrophobicContact CE-CH2 3.72Å; M388-W424 HydrophobicContact CE-CZ3 4.46Å; M388-W424 HydrophobicContact SD-CH2 3.81Å; M388-W424 HydrophobicContact SD-CZ2 4.18Å; V390-W424 HydrophobicContact CG1-CD2 4.24Å; V390-W424 HydrophobicContact CG1-CE3 4.1Å; V390-W424 HydrophobicContact CG2-CD2 3.89Å; V390-W424 HydrophobicContact CG2-CE3 3.98Å; V390-W424 HydrophobicContact CG2-CH2 3.97Å; V390-W424 HydrophobicContact CG2-CZ2 3.86Å; V390-W424 HydrophobicContact CG2-CZ3 4.03Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å; W403-W424 PolarHBondContact NE1-O 2.75Å; G421-W424 CarbonylContact O-C 3.55Å; G421-W424 PolarHBondContact O-N 3.48Å; K422-W424 VanDerWaalsContact C-N 3.29Å; K422-W424 PolarHBondContact O-N 3.11Å; W424-Y426 VanDerWaalsContact C-N 3.27Å; W424-L427 HydrophobicContact CH2-CD2 4.38Å; W424-L427 HydrophobicContact CZ2-CD2 4.45Å; W424-L427 HydrophobicContact CZ3-CD2 4.45Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.14Å; W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.8Å; W424-W466 AromaticContact CZ2-CD2 3.77Å; W424-W466 HydrophobicContact CZ2-CD2 3.77Å; W424-W466 HydrophobicContact CZ2-CE3 4.34Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.82Å; W424-W466 AromaticContact NE1-CE2 3.84Å; W424-W466 AromaticContact NE1-CE3 3.84Å; W424-W466 AromaticContact NE1-CH2 3.97Å; W424-W466 AromaticContact NE1-CZ2 3.92Å; W424-W466 AromaticContact NE1-CZ3 3.93Å; W424-L470 HydrophobicContact CH2-CD1 4.2Å; W424-L470 HydrophobicContact CH2-CG 4.48Å; W424-L470 HydrophobicContact CZ3-CD1 4.03Å; W424-L470 HydrophobicContact CZ3-CD2 4.24Å
425	S	94.9	Very high	91.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-78.6	-12	174.8	-54.7	0	0	0	0	112.7	Q399 A402 G421 K422 T423	Q399-S425 WeakPolarHBondContact CG-OG 3.48Å; A402-S425 WeakPolarHBondContact CB-O 3.46Å; G421-S425 PolarHBondContact O-N 3.42Å; G421-S425 VanDerWaalsContact O-N 3.07Å; G421-S425 PolarHBondContact O-OG 2.93Å; K422-S425 WeakPolarHBondContact O-CA 3.29Å; K422-S425 WeakPolarHBondContact O-CB 3.34Å; K422-S425 PolarHBondContact O-N 2.97Å; K422-S425 PolarHBondContact O-OG 2.76Å; T423-S425 PolarHBondContact O-N 3.23Å; T423-S425 VanDerWaalsContact O-N 3.08Å
426	Y	95.3	Very high	91.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-24.8	178	54.2	-99.2	0	0	0	114.8	V412 K422 T423 W424 T429 V430 F452 A535 D537 L571	V412-Y426 HydrophobicContact CG1-CD1 4.28Å; K422-Y426 VanDerWaalsContact O-CE1 3.3Å; K422-Y426 WeakPolarHBondContact O-CE1 3.25Å; T423-Y426 PolarHBondContact O-N 3.34Å; W424-Y426 VanDerWaalsContact C-N 3.27Å; Y426-T429 WeakPolarHBondContact O-CB 3.37Å; Y426-T429 PolarHBondContact O-N 3.22Å; Y426-T429 VanDerWaalsContact O-N 3.07Å; Y426-V430 HydrophobicContact CD2-CG2 4.16Å; Y426-V430 PolarHBondContact O-N 3.19Å; Y426-F452 AromaticContact CE2-CE2 3.81Å; Y426-F452 HydrophobicContact CE2-CE2 3.81Å; Y426-F452 AromaticContact CE2-CZ 3.89Å; Y426-F452 HydrophobicContact CE2-CZ 3.89Å; Y426-A535 HydrophobicContact CE2-CB 4.13Å; Y426-D537 VanDerWaalsContact OH-CB 3.27Å; Y426-D537 WeakPolarHBondContact OH-CB 3.47Å; Y426-D537 PolarHBondContact OH-OD1 3.14Å; Y426-L571 HydrophobicContact CD1-CB 4.49Å; Y426-L571 HydrophobicContact CD2-CB 4.23Å; Y426-L571 HydrophobicContact CD2-CD1 3.7Å; Y426-L571 HydrophobicContact CE2-CB 4.48Å; Y426-L571 HydrophobicContact CG-CB 4.24Å; Y426-L571 HydrophobicContact CG-CD1 3.94Å; Y426-L571 HydrophobicContact CG-CG 4.49Å
427	L	95.7	Very high	91.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-48.9	-42.6	-179.8	-176.3	67.9	0	0	0	115.1	T423 W424 T429 V430 C431 F452 I463 W466 M467 L470	T423-L427 HydrophobicContact CG2-CB 4.44Å; T423-L427 HydrophobicContact CG2-CD2 4.38Å; T423-L427 WeakPolarHBondContact O-CB 3.45Å; T423-L427 PolarHBondContact O-N 2.98Å; W424-L427 HydrophobicContact CH2-CD2 4.38Å; W424-L427 HydrophobicContact CZ2-CD2 4.45Å; W424-L427 HydrophobicContact CZ3-CD2 4.45Å; L427-T429 VanDerWaalsContact C-N 3.33Å; L427-T429 PolarHBondContact O-N 3.06Å; L427-V430 PolarHBondContact O-N 3.23Å; L427-C431 PolarHBondContact O-N 3.2Å; L427-C431 PolarHBondContact O-SG 3.06Å; L427-F452 HydrophobicContact CD1-CE2 3.99Å; L427-I463 HydrophobicContact CD1-CG2 4.33Å; L427-W466 HydrophobicContact CD2-CB 3.76Å; L427-W466 HydrophobicContact CD2-CE3 4.03Å; L427-M467 HydrophobicContact CD1-CE 3.68Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; L427-L470 HydrophobicContact CD2-CD1 4.14Å; L427-L470 HydrophobicContact CG-CD1 3.88Å
428	P	94.2	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-43.4	178.4	-22.1	33.5	0	0	0	112.7	I381 M385 W424 Q432	I381-P428 HydrophobicContact CG2-CB 3.67Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.4Å; M385-P428 VanDerWaalsContact CE-CG 3.4Å; M385-P428 HydrophobicContact CG-CG 4.37Å; M385-P428 HydrophobicContact SD-CB 3.55Å; M385-P428 VanDerWaalsContact SD-CB 3.55Å; M385-P428 HydrophobicContact SD-CG 3.45Å; M385-P428 WeakPolarHBondContact SD-CG 3.41Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.14Å; P428-Q432 WeakPolarHBondContact O-CB 3.35Å; P428-Q432 PolarHBondContact O-N 3.06Å
429	T	92.5	Very high	91.8	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-69.2	-38.4	178.1	-46.3	0	0	0	0	111.4	V406 Y426 L427 Q432 R433	V406-T429 HydrophobicContact CG1-CG2 4.11Å; Y426-T429 WeakPolarHBondContact O-CB 3.37Å; Y426-T429 PolarHBondContact O-N 3.22Å; Y426-T429 VanDerWaalsContact O-N 3.07Å; L427-T429 VanDerWaalsContact C-N 3.33Å; L427-T429 PolarHBondContact O-N 3.06Å; T429-Q432 PolarHBondContact O-N 3.46Å; T429-R433 HydrophobicContact CG2-CG 4.16Å; T429-R433 VanDerWaalsContact O-CB 3.31Å; T429-R433 WeakPolarHBondContact O-CB 3.43Å; T429-R433 WeakPolarHBondContact O-CG 3.36Å; T429-R433 PolarHBondContact O-N 2.83Å
430	V	94.4	Very high	92.2	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.03	12%	0.115	C	C	.	.	H	α-helix	trans	-58.9	-52.2	174.7	168.2	0	0	0	0	110.6	Y426 L427 Q432 S434 C450 F452 I505 L571	Y426-V430 HydrophobicContact CD2-CG2 4.16Å; Y426-V430 PolarHBondContact O-N 3.19Å; L427-V430 PolarHBondContact O-N 3.23Å; V430-Q432 PolarHBondContact O-N 3.1Å; V430-S434 WeakPolarHBondContact O-CB 3.44Å; V430-S434 PolarHBondContact O-N 3.35Å; V430-C450 HydrophobicContact CG1-CB 4.43Å; V430-C450 VanDerWaalsContact CG1-SG 3.56Å; V430-F452 HydrophobicContact CG1-CD2 4.5Å; V430-I505 HydrophobicContact CG1-CD1 4.16Å; V430-L571 HydrophobicContact CG2-CD1 3.35Å
431	C	94.8	Very high	92.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-49	178.7	-66.5	0	0	0	0	111.6	L427 H435 L470 L471	L427-C431 PolarHBondContact O-N 3.2Å; L427-C431 PolarHBondContact O-SG 3.06Å; C431-H435 VanDerWaalsContact O-CB 3.32Å; C431-H435 WeakPolarHBondContact O-CB 3.38Å; C431-H435 PolarHBondContact O-N 3.04Å; C431-L470 HydrophobicContact CB-CB 3.88Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.54Å; C431-L471 HydrophobicContact CB-CD2 3.89Å; C431-L471 HydrophobicContact CB-CG 4.03Å; C431-L471 WeakPolarHBondContact O-CD2 3.38Å
432	Q	92.9	Very high	92	Very high	15 Å²	15	30 Å²	30	7%	0.07	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-53.4	-178.7	-165.5	-173.8	-61.2	0	0	112.3	D376 S378 I381 P428 T429 V430 H435 E436	D376-Q432 PolarHBondContact O-NE2 3.3Å; S378-Q432 VanDerWaalsContact CB-OE1 3.23Å; S378-Q432 PolarHBondContact OG-OE1 3.36Å; I381-Q432 HydrophobicContact CD1-CB 4.5Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.22Å; P428-Q432 WeakPolarHBondContact O-CB 3.35Å; P428-Q432 PolarHBondContact O-N 3.06Å; T429-Q432 PolarHBondContact O-N 3.46Å; V430-Q432 PolarHBondContact O-N 3.1Å; Q432-H435 PolarHBondContact O-N 2.85Å; Q432-E436 HydrophobicContact CG-CG 4.46Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.31Å; Q432-E436 PolarHBondContact NE2-OE1 3.03Å; Q432-E436 WeakPolarHBondContact O-CB 3.4Å; Q432-E436 WeakPolarHBondContact O-CG 3.3Å; Q432-E436 PolarHBondContact O-N 2.78Å
433	R	91.3	Very high	91.3	Very high	87 Å²	87	35.7 Å²	35.7	33%	0.328	17%	0.17	S	C	.	.	H	α-helix	trans	-64.9	-42.5	-178.8	-72.6	-178.6	164.7	-132.5	-10.7	112	S407 G409 T429 H435 E436 D437	S407-R433 PolarHBondContact O-NH2 3.44Å; G409-R433 VanDerWaalsContact N-NH2 3.18Å; T429-R433 HydrophobicContact CG2-CG 4.16Å; T429-R433 VanDerWaalsContact O-CB 3.31Å; T429-R433 WeakPolarHBondContact O-CB 3.43Å; T429-R433 WeakPolarHBondContact O-CG 3.36Å; T429-R433 PolarHBondContact O-N 2.83Å; R433-H435 VanDerWaalsContact C-N 3.26Å; R433-H435 PolarHBondContact O-N 2.75Å; R433-E436 PolarHBondContact O-N 3.46Å; R433-D437 WeakPolarHBondContact O-CB 3.49Å; R433-D437 PolarHBondContact O-N 3.32Å
434	S	92.8	Very high	90.7	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-35	179.6	-169.6	0	0	0	0	112.1	V430 L438 G504 I505	V430-S434 WeakPolarHBondContact O-CB 3.44Å; V430-S434 PolarHBondContact O-N 3.35Å; S434-L438 WeakPolarHBondContact O-CB 3.49Å; S434-L438 PolarHBondContact O-N 3.41Å; S434-L438 VanDerWaalsContact O-N 3.16Å; S434-G504 WeakPolarHBondContact OG-CA 3.46Å; S434-G504 PolarHBondContact OG-O 3.16Å; S434-G504 VanDerWaalsContact OG-O 3.1Å; S434-I505 WeakPolarHBondContact OG-CG1 3.31Å
435	H	92.3	Very high	90.1	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.065	20%	0.204	C	C	.	.	H	α-helix	trans	-74.1	-51.2	173.7	179.8	85.7	0	0	0	111.7	C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482	C431-H435 VanDerWaalsContact O-CB 3.32Å; C431-H435 WeakPolarHBondContact O-CB 3.38Å; C431-H435 PolarHBondContact O-N 3.04Å; Q432-H435 PolarHBondContact O-N 2.85Å; R433-H435 VanDerWaalsContact C-N 3.26Å; R433-H435 PolarHBondContact O-N 2.75Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.26Å; H435-L438 WeakPolarHBondContact O-CA 3.25Å; H435-L438 WeakPolarHBondContact O-CB 3.39Å; H435-L438 PolarHBondContact O-N 3.23Å; H435-Q439 PolarHBondContact CE1-NE2 3.48Å; H435-Q439 PolarHBondContact NE2-NE2 2.82Å; H435-Q439 WeakPolarHBondContact O-CG 3.46Å; H435-Q439 PolarHBondContact O-N 3.19Å; H435-L471 HydrophobicContact CB-CD2 3.81Å; H435-L474 HydrophobicContact CB-CD1 3.98Å; H435-G475 PolarHBondContact CE1-O 3.41Å; H435-G475 PolarHBondContact NE2-O 3.5Å; H435-D482 IonicContact CE1-OD1 3.49Å; H435-D482 IonicContact CG-OD1 2.92Å; H435-D482 IonicContact ND1-OD1 2.7Å; H435-D482 PolarHBondContact ND1-OD1 2.84Å
436	E	90.9	Very high	89.9	Confident	65 Å²	65	45.4 Å²	45.4	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-53.1	-44.9	177.5	-83.6	-173.1	-131.8	0	0	112.7	Q432 R433 R440	Q432-E436 HydrophobicContact CG-CG 4.46Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.31Å; Q432-E436 PolarHBondContact NE2-OE1 3.03Å; Q432-E436 WeakPolarHBondContact O-CB 3.4Å; Q432-E436 WeakPolarHBondContact O-CG 3.3Å; Q432-E436 PolarHBondContact O-N 2.78Å; R433-E436 PolarHBondContact O-N 3.46Å; E436-R440 WeakPolarHBondContact O-CD 3.37Å; E436-R440 WeakPolarHBondContact O-CG 3.46Å; E436-R440 PolarHBondContact O-NE 2.87Å; E436-R440 IonicContact OE2-CZ 2.62Å; E436-R440 IonicContact OE2-NH1 3.67Å; E436-R440 PolarHBondContact OE2-NH1 3.02Å; E436-R440 IonicContact OE2-NH2 2.76Å; E436-R440 PolarHBondContact OE2-NH2 3.28Å
437	D	90.6	Very high	89.7	Confident	41 Å²	41	45.4 Å²	45.4	22%	0.219	22%	0.222	C	C	.	.	H	α-helix	trans	-75.1	-31.1	178	-76.4	-25.3	0	0	0	112	R433 H435 Q439 R440 R441 T449	R433-D437 WeakPolarHBondContact O-CB 3.49Å; R433-D437 PolarHBondContact O-N 3.32Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.26Å; D437-Q439 VanDerWaalsContact C-N 3.35Å; D437-R440 CarbonylContact O-C 3.58Å; D437-R440 WeakPolarHBondContact O-CA 3.35Å; D437-R440 WeakPolarHBondContact O-CB 3.49Å; D437-R440 PolarHBondContact O-N 2.98Å; D437-R440 IonicContact OD1-CZ 3.78Å; D437-R440 IonicContact OD1-NH1 2.71Å; D437-R440 PolarHBondContact OD1-NH1 3.39Å; D437-R441 VanDerWaalsContact O-CG 3.29Å; D437-R441 WeakPolarHBondContact O-CG 3.35Å; D437-R441 PolarHBondContact O-N 3.47Å; D437-T449 HydrophobicContact CB-CG2 3.73Å
438	L	91	Very high	89.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-40.7	170.9	-178	63.9	0	0	0	111.8	S434 H435 R440 R441 F480 P502	S434-L438 WeakPolarHBondContact O-CB 3.49Å; S434-L438 PolarHBondContact O-N 3.41Å; S434-L438 VanDerWaalsContact O-N 3.16Å; H435-L438 WeakPolarHBondContact O-CA 3.25Å; H435-L438 WeakPolarHBondContact O-CB 3.39Å; H435-L438 PolarHBondContact O-N 3.23Å; L438-R440 PolarHBondContact O-N 3.05Å; L438-R441 PolarHBondContact O-N 3.37Å; L438-R441 VanDerWaalsContact O-N 3.17Å; L438-F480 HydrophobicContact CD1-CB 3.92Å; L438-F480 HydrophobicContact CD1-CD2 3.91Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.04Å; L438-F480 HydrophobicContact CG-CB 4.22Å; L438-F480 HydrophobicContact CG-CD2 4.3Å; L438-P502 HydrophobicContact CD1-CB 3.83Å
439	Q	88.2	Confident	89.7	Confident	68 Å²	68	45.6 Å²	45.6	32%	0.318	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.4	172.9	-60	-48.2	-47.9	0	0	113.3	H435 D437 S478	H435-Q439 PolarHBondContact CE1-NE2 3.48Å; H435-Q439 PolarHBondContact NE2-NE2 2.82Å; H435-Q439 WeakPolarHBondContact O-CG 3.46Å; H435-Q439 PolarHBondContact O-N 3.19Å; D437-Q439 VanDerWaalsContact C-N 3.35Å; Q439-S478 PolarHBondContact NE2-OG 3.27Å; Q439-S478 VanDerWaalsContact OE1-CB 3.26Å
440	R	88.5	Confident	89.9	Confident	155 Å²	155	45.3 Å²	45.3	59%	0.585	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.6	178.6	-61.3	165	-169.9	137.9	6.9	113.2	E436 D437 L438	E436-R440 WeakPolarHBondContact O-CD 3.37Å; E436-R440 WeakPolarHBondContact O-CG 3.46Å; E436-R440 PolarHBondContact O-NE 2.87Å; E436-R440 IonicContact OE2-CZ 2.62Å; E436-R440 IonicContact OE2-NH1 3.67Å; E436-R440 PolarHBondContact OE2-NH1 3.02Å; E436-R440 IonicContact OE2-NH2 2.76Å; E436-R440 PolarHBondContact OE2-NH2 3.28Å; D437-R440 CarbonylContact O-C 3.58Å; D437-R440 WeakPolarHBondContact O-CA 3.35Å; D437-R440 WeakPolarHBondContact O-CB 3.49Å; D437-R440 PolarHBondContact O-N 2.98Å; D437-R440 IonicContact OD1-CZ 3.78Å; D437-R440 IonicContact OD1-NH1 2.71Å; D437-R440 PolarHBondContact OD1-NH1 3.39Å; L438-R440 PolarHBondContact O-N 3.05Å
441	R	86.8	Confident	90	Very high	32 Å²	32	45 Å²	45	12%	0.121	22%	0.22	C	C	.	.	S	Bend	trans	-84	141	-178.6	-64	-161.6	69.9	-168	0.4	111.5	D437 L438 R446 G447 P502 D527	D437-R441 VanDerWaalsContact O-CG 3.29Å; D437-R441 WeakPolarHBondContact O-CG 3.35Å; D437-R441 PolarHBondContact O-N 3.47Å; L438-R441 PolarHBondContact O-N 3.37Å; L438-R441 VanDerWaalsContact O-N 3.17Å; R441-R446 PolarHBondContact NH1-O 2.91Å; R441-R446 VanDerWaalsContact NH1-O 3.09Å; R441-R446 PolarHBondContact NH2-O 2.65Å; R441-G447 PolarHBondContact NH1-O 2.94Å; R441-P502 HydrophobicContact CB-CB 4.25Å; R441-D527 IonicContact NH2-OD2 2.65Å
442	P	82.8	Confident	90.2	Very high	87 Å²	87	45 Å²	45	57%	0.565	22%	0.22	S	C	*	.			trans	-73.3	151.6	169.8	32.1	-35.1	0	0	0	110.9	V444 G445	P442-V444 PolarHBondContact O-N 3.16Å; P442-V444 VanDerWaalsContact O-N 3.1Å; P442-G445 WeakPolarHBondContact O-CA 3.05Å; P442-G445 PolarHBondContact O-N 3.06Å
443	D	79.1	Confident	90.4	Very high	130 Å²	130	44.3 Å²	44.3	70%	0.695	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.5	-178.8	-52.2	-8.3	0	0	0	114.1	G445 F480	D443-G445 PolarHBondContact O-N 2.98Å; D443-F480 HydrophobicContact CB-CZ 4.32Å
444	V	80.9	Confident	90.6	Very high	135 Å²	135	40.2 Å²	40.2	82%	0.818	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.9	176.6	-158.4	0	0	0	0	112.1	P442	P442-V444 PolarHBondContact O-N 3.16Å; P442-V444 VanDerWaalsContact O-N 3.1Å
445	G	83.6	Confident	90.4	Very high	9 Å²	9	40.6 Å²	40.6	9%	0.093	20%	0.203	C	C	.	.			trans	-69.2	166	171.1	0	0	0	0	0	112.6	P442 D443 K501 P502	P442-G445 WeakPolarHBondContact O-CA 3.05Å; P442-G445 PolarHBondContact O-N 3.06Å; D443-G445 PolarHBondContact O-N 2.98Å; G445-K501 CarbonylContact O-C 3.56Å; G445-P502 WeakPolarHBondContact O-CD 3.34Å
446	R	89.1	Confident	90.1	Very high	99 Å²	99	43.1 Å²	43.1	37%	0.374	22%	0.217	S	C	.	.			trans	-149.4	161	-178.1	65.7	-163.5	-174.3	-92.2	-1.5	112.8	R441 K500 K501 G523 S524 D527	R441-R446 PolarHBondContact NH1-O 2.91Å; R441-R446 VanDerWaalsContact NH1-O 3.09Å; R441-R446 PolarHBondContact NH2-O 2.65Å; R446-K500 WeakPolarHBondContact CB-O 3.34Å; R446-K501 CarbonylContact C-O 3.6Å; R446-K501 WeakPolarHBondContact CA-O 3.37Å; R446-G523 VanDerWaalsContact CZ-O 3.26Å; R446-G523 PolarHBondContact NE-O 2.9Å; R446-G523 PolarHBondContact NH2-O 3.45Å; R446-S524 WeakPolarHBondContact CD-O 3.44Å; R446-D527 HydrophobicContact CG-CB 4.42Å
447	G	91.9	Very high	90.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.2	178.7	-179.9	0	0	0	0	0	114.3	R441 L499 K501 V503 I525	R441-G447 PolarHBondContact NH1-O 2.94Å; G447-L499 WeakPolarHBondContact CA-O 3.26Å; G447-L499 PolarHBondContact N-O 2.86Å; G447-K501 PolarHBondContact N-O 3.07Å; G447-K501 VanDerWaalsContact N-O 3.11Å; G447-V503 PolarHBondContact O-N 3.31Å; G447-V503 VanDerWaalsContact O-N 3.13Å; G447-I525 WeakPolarHBondContact CA-O 3.33Å
448	P	94.7	Very high	90	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	154	-176.5	33.9	-33	0	0	0	112.4	C450 I451 V503 L506 F526 V531	P448-C450 WeakPolarHBondContact CB-O 3.46Å; P448-I451 HydrophobicContact CG-CD1 4.39Å; P448-I451 HydrophobicContact CG-CG1 3.75Å; P448-V503 CarbonylContact C-O 3.58Å; P448-V503 WeakPolarHBondContact CA-O 3.24Å; P448-L506 HydrophobicContact CB-CB 3.77Å; P448-L506 HydrophobicContact CG-CB 3.88Å; P448-L506 HydrophobicContact CG-CD2 4.37Å; P448-F526 HydrophobicContact CG-CD1 4.21Å; P448-F526 HydrophobicContact CG-CE1 4.09Å; P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 3.32Å
449	T	94.4	Very high	89.8	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-32.4	165.6	-60.2	0	0	0	0	111.3	D437 V503 G504 V531 K532	D437-T449 HydrophobicContact CB-CG2 3.73Å; T449-V503 PolarHBondContact N-O 3.45Å; T449-V503 PolarHBondContact OG1-O 3.43Å; T449-G504 PolarHBondContact N-O 3.28Å; T449-V531 CarbonylContact O-C 3.31Å; T449-V531 WeakPolarHBondContact O-CA 3.5Å; T449-K532 HydrophobicContact CG2-CG 4.2Å; T449-K532 PolarHBondContact O-N 2.86Å
450	C	96.2	Very high	90.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.4	176	-177.9	0	0	0	0	111.8	V430 P448 G504 I505 L506 C533	V430-C450 HydrophobicContact CG1-CB 4.43Å; V430-C450 VanDerWaalsContact CG1-SG 3.56Å; P448-C450 WeakPolarHBondContact CB-O 3.46Å; C450-G504 PolarHBondContact N-O 2.81Å; C450-I505 HydrophobicContact CB-CG1 4.27Å; C450-I505 HydrophobicContact CB-CG2 4.47Å; C450-I505 CarbonylContact O-C 3.53Å; C450-I505 WeakPolarHBondContact O-CA 3.23Å; C450-L506 PolarHBondContact O-N 3.44Å; C450-C533 WeakPolarHBondContact CA-O 3.48Å; C450-C533 HydrophobicContact CB-CB 4.28Å
451	I	97.4	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.2	170	-56.1	173.9	0	0	0	108.6	P448 V453 L513 F526 V531 C533 I534 A535 F561	P448-I451 HydrophobicContact CG-CD1 4.39Å; P448-I451 HydrophobicContact CG-CG1 3.75Å; I451-V453 HydrophobicContact CG2-CG2 4.17Å; I451-L513 HydrophobicContact CG2-CD1 4.12Å; I451-L513 HydrophobicContact CG2-CD2 3.82Å; I451-F526 HydrophobicContact CD1-CD1 4.04Å; I451-F526 HydrophobicContact CD1-CE1 3.79Å; I451-F526 HydrophobicContact CG1-CE1 4.46Å; I451-V531 HydrophobicContact CD1-CG1 4.25Å; I451-V531 HydrophobicContact CD1-CG2 4.19Å; I451-V531 HydrophobicContact CG1-CG1 4.28Å; I451-V531 HydrophobicContact CG1-CG2 4.43Å; I451-C533 PolarHBondContact N-O 3.03Å; I451-I534 HydrophobicContact CB-CG1 4.28Å; I451-I534 CarbonylContact O-C 3.56Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.48Å; I451-A535 PolarHBondContact O-N 3.41Å; I451-F561 HydrophobicContact CD1-CE1 4.39Å; I451-F561 HydrophobicContact CD1-CE2 4.22Å; I451-F561 HydrophobicContact CD1-CZ 3.74Å
452	F	98.3	Very high	90.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.9	178.6	-157.1	-63.8	0	0	0	109.5	T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537	T423-F452 HydrophobicContact CG2-CZ 4.04Å; Y426-F452 AromaticContact CE2-CE2 3.81Å; Y426-F452 HydrophobicContact CE2-CE2 3.81Å; Y426-F452 AromaticContact CE2-CZ 3.89Å; Y426-F452 HydrophobicContact CE2-CZ 3.89Å; L427-F452 HydrophobicContact CD1-CE2 3.99Å; V430-F452 HydrophobicContact CG1-CD2 4.5Å; F452-I463 HydrophobicContact CD1-CG2 4.48Å; F452-I463 HydrophobicContact CE1-CD1 3.83Å; F452-I463 HydrophobicContact CE1-CG2 4.09Å; F452-I463 HydrophobicContact CE2-CG2 4.48Å; F452-I463 HydrophobicContact CZ-CD1 4.26Å; F452-I463 HydrophobicContact CZ-CG2 4.09Å; F452-M467 HydrophobicContact CB-CE 4Å; F452-M467 HydrophobicContact CD1-CE 4.41Å; F452-M467 HydrophobicContact CD2-CE 3.27Å; F452-M467 HydrophobicContact CE2-CE 3.78Å; F452-M467 HydrophobicContact CG-CE 3.64Å; F452-I505 HydrophobicContact CB-CG2 3.97Å; F452-L506 PolarHBondContact N-O 3.19Å; F452-L507 HydrophobicContact CB-CB 4.35Å; F452-L507 HydrophobicContact CB-CD1 3.92Å; F452-L507 HydrophobicContact CD1-CD1 3.54Å; F452-L507 HydrophobicContact CE1-CD1 4.41Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.4Å; F452-T508 PolarHBondContact O-N 2.81Å; F452-A535 HydrophobicContact CD1-CB 4.42Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.73Å; F452-A535 HydrophobicContact CG-CB 3.94Å; F452-A535 HydrophobicContact CZ-CB 4.21Å; F452-D537 HydrophobicContact CE1-CB 3.71Å; F452-D537 HydrophobicContact CZ-CB 4Å
453	V	97.9	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.7	-179.5	-167.9	0	0	0	0	109.2	I451 T508 V510 L513 A535 L536 D537 M542	I451-V453 HydrophobicContact CG2-CG2 4.17Å; V453-T508 WeakPolarHBondContact CA-O 3.25Å; V453-V510 HydrophobicContact CG1-CG2 3.79Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; V453-A535 PolarHBondContact N-O 3.01Å; V453-L536 HydrophobicContact CB-CD2 3.87Å; V453-L536 HydrophobicContact CG2-CD2 3.84Å; V453-D537 PolarHBondContact O-N 2.93Å; V453-M542 HydrophobicContact CB-CE 4.02Å; V453-M542 HydrophobicContact CG1-CE 3.91Å; V453-M542 HydrophobicContact CG1-SD 4.01Å; V453-M542 WeakPolarHBondContact O-CE 3.29Å
454	C	95	Very high	92	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.			trans	-131	166.8	172.1	71.5	0	0	0	0	111.5	N456 G460 I463 W487 T508	C454-N456 PolarHBondContact O-N 3.32Å; C454-N456 PolarHBondContact SG-O 3.06Å; C454-N456 VanDerWaalsContact SG-O 3.37Å; C454-G460 WeakPolarHBondContact SG-CA 3.35Å; C454-G460 PolarHBondContact SG-N 3.26Å; C454-I463 HydrophobicContact CB-CD1 4.24Å; C454-W487 WeakPolarHBondContact SG-CH2 3.37Å; C454-T508 PolarHBondContact N-O 3.07Å
455	P	88.9	Confident	92.6	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.084	19%	0.185	C	C	.	.	S	Bend	trans	-74.7	-21.6	-169	-16.4	31.4	0	0	0	115.2	Q459 D537 N538 D541 M542	P455-Q459 VanDerWaalsContact CD-OE1 3.23Å; P455-D537 WeakPolarHBondContact CD-O 3.37Å; P455-N538 HydrophobicContact CG-CB 3.89Å; P455-D541 HydrophobicContact CB-CB 3.67Å; P455-D541 HydrophobicContact CG-CB 3.49Å; P455-D541 VanDerWaalsContact CG-CB 3.49Å; P455-M542 HydrophobicContact CB-CG 4.25Å; P455-M542 HydrophobicContact CG-CG 4.1Å
456	N	86.9	Confident	93.1	Very high	68 Å²	68	40.7 Å²	40.7	36%	0.364	19%	0.192	S	C	.	.	S	Bend	trans	-163.4	162.6	-179.2	56.9	73.7	0	0	0	112	C454 G458 Q459 G460	C454-N456 PolarHBondContact O-N 3.32Å; C454-N456 PolarHBondContact SG-O 3.06Å; C454-N456 VanDerWaalsContact SG-O 3.37Å; N456-G458 PolarHBondContact O-N 3.38Å; N456-G458 WeakPolarHBondContact OD1-CA 3.39Å; N456-G458 PolarHBondContact OD1-N 2.83Å; N456-G458 VanDerWaalsContact OD1-N 3.1Å; N456-Q459 PolarHBondContact O-N 3.1Å; N456-Q459 PolarHBondContact OD1-N 2.95Å; N456-G460 PolarHBondContact O-N 3.45Å
457	Q	89.4	Confident	93.4	Very high	86 Å²	86	36 Å²	36	40%	0.402	17%	0.174	S	C	.	.	H	α-helix	trans	-57.1	-31.2	177.7	-175.4	-169.6	78.9	0	0	113.5	G460 K461 W487	Q457-G460 PolarHBondContact O-N 2.83Å; Q457-K461 VanDerWaalsContact CD-CE 3.44Å; Q457-K461 VanDerWaalsContact CD-NZ 3.26Å; Q457-K461 HydrophobicContact CG-CD 3.91Å; Q457-K461 HydrophobicContact CG-CG 4.13Å; Q457-K461 WeakPolarHBondContact O-CB 3.37Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 3.11Å; Q457-W487 HydrophobicContact CB-CB 4.42Å; Q457-W487 HydrophobicContact CB-CD2 4.09Å; Q457-W487 HydrophobicContact CB-CE3 4.06Å; Q457-W487 HydrophobicContact CB-CG 4.26Å; Q457-W487 HydrophobicContact CG-CB 3.92Å; Q457-W487 HydrophobicContact CG-CD2 3.85Å; Q457-W487 HydrophobicContact CG-CE3 4.34Å; Q457-W487 HydrophobicContact CG-CG 3.64Å
458	G	88.6	Confident	93.4	Very high	51 Å²	51	39 Å²	39	53%	0.526	19%	0.194	S	C	.	.	H	α-helix	trans	-64.6	-49.7	-179.8	0	0	0	0	0	112.5	N456 G460 Q462	N456-G458 PolarHBondContact O-N 3.38Å; N456-G458 WeakPolarHBondContact OD1-CA 3.39Å; N456-G458 PolarHBondContact OD1-N 2.83Å; N456-G458 VanDerWaalsContact OD1-N 3.1Å; G458-G460 VanDerWaalsContact C-N 3.31Å; G458-Q462 PolarHBondContact O-N 2.79Å
459	Q	88.2	Confident	93.2	Very high	38 Å²	38	41.6 Å²	41.6	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-38.7	170.6	-66.2	-174.6	19.6	0	0	111	P455 N456 Q462 I463 N538	P455-Q459 VanDerWaalsContact CD-OE1 3.23Å; N456-Q459 PolarHBondContact O-N 3.1Å; N456-Q459 PolarHBondContact OD1-N 2.95Å; Q459-Q462 PolarHBondContact O-N 3.38Å; Q459-I463 WeakPolarHBondContact O-CG1 3.38Å; Q459-I463 PolarHBondContact O-N 3.06Å; Q459-N538 PolarHBondContact OE1-ND2 3.5Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.08Å
460	G	93.4	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-54.1	-55.5	176.1	0	0	0	0	0	113.6	C454 N456 Q457 G458 Q462 I463 E464 W487	C454-G460 WeakPolarHBondContact SG-CA 3.35Å; C454-G460 PolarHBondContact SG-N 3.26Å; N456-G460 PolarHBondContact O-N 3.45Å; Q457-G460 PolarHBondContact O-N 2.83Å; G458-G460 VanDerWaalsContact C-N 3.31Å; G460-Q462 PolarHBondContact O-N 2.9Å; G460-I463 PolarHBondContact O-N 3.13Å; G460-E464 WeakPolarHBondContact O-CB 3.49Å; G460-E464 PolarHBondContact O-N 3.16Å; G460-W487 VanDerWaalsContact CA-CH2 3.47Å; G460-W487 VanDerWaalsContact CA-CZ2 3.4Å
461	K	93.4	Very high	92.9	Very high	92 Å²	92	41.7 Å²	41.7	40%	0.4	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-30	177.5	-76.3	172.3	170.8	169.3	0	113.2	Q457 R465	Q457-K461 VanDerWaalsContact CD-CE 3.44Å; Q457-K461 VanDerWaalsContact CD-NZ 3.26Å; Q457-K461 HydrophobicContact CG-CD 3.91Å; Q457-K461 HydrophobicContact CG-CG 4.13Å; Q457-K461 WeakPolarHBondContact O-CB 3.37Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 3.11Å; K461-R465 VanDerWaalsContact O-CG 3.3Å; K461-R465 WeakPolarHBondContact O-CG 3.41Å; K461-R465 PolarHBondContact O-N 3.37Å
462	Q	93.1	Very high	92.4	Very high	104 Å²	104	46.3 Å²	46.3	49%	0.486	24%	0.242	S	C	.	.	H	α-helix	trans	-72	-42.2	173.5	-174.9	174.2	54.1	0	0	111.7	G458 Q459 G460 R465 W466	G458-Q462 PolarHBondContact O-N 2.79Å; Q459-Q462 PolarHBondContact O-N 3.38Å; G460-Q462 PolarHBondContact O-N 2.9Å; Q462-R465 PolarHBondContact O-N 3.3Å; Q462-W466 HydrophobicContact CG-CD2 4.39Å; Q462-W466 HydrophobicContact CG-CH2 3.77Å; Q462-W466 HydrophobicContact CG-CZ2 3.54Å; Q462-W466 HydrophobicContact CG-CZ3 4.3Å; Q462-W466 PolarHBondContact O-N 2.95Å
463	I	95.3	Very high	91.6	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-68.9	-40	177.8	-66.4	168.6	0	0	0	110.8	T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507	T423-I463 HydrophobicContact CG2-CD1 4.13Å; T423-I463 HydrophobicContact CG2-CG1 4.15Å; L427-I463 HydrophobicContact CD1-CG2 4.33Å; F452-I463 HydrophobicContact CD1-CG2 4.48Å; F452-I463 HydrophobicContact CE1-CD1 3.83Å; F452-I463 HydrophobicContact CE1-CG2 4.09Å; F452-I463 HydrophobicContact CE2-CG2 4.48Å; F452-I463 HydrophobicContact CZ-CD1 4.26Å; F452-I463 HydrophobicContact CZ-CG2 4.09Å; C454-I463 HydrophobicContact CB-CD1 4.24Å; Q459-I463 WeakPolarHBondContact O-CG1 3.38Å; Q459-I463 PolarHBondContact O-N 3.06Å; G460-I463 PolarHBondContact O-N 3.13Å; I463-R465 PolarHBondContact O-N 2.93Å; I463-W466 HydrophobicContact CG1-CE3 4.07Å; I463-W466 HydrophobicContact CG1-CZ3 4.03Å; I463-W466 PolarHBondContact O-N 2.89Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.71Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.16Å; I463-M467 WeakPolarHBondContact O-CG 3.4Å; I463-M467 PolarHBondContact O-N 3.1Å; I463-L507 HydrophobicContact CB-CD2 4.45Å; I463-L507 HydrophobicContact CG2-CD1 4.37Å; I463-L507 HydrophobicContact CG2-CD2 4.2Å
464	E	95.3	Very high	90.9	Very high	51 Å²	51	51.6 Å²	51.6	24%	0.238	27%	0.27	C	S	.	.	H	α-helix	trans	-54	-49.2	172.8	-178	172.6	-150.5	0	0	111.4	G460 W466 M467 S468 T485 L507	G460-E464 WeakPolarHBondContact O-CB 3.49Å; G460-E464 PolarHBondContact O-N 3.16Å; E464-W466 VanDerWaalsContact C-N 3.35Å; E464-W466 PolarHBondContact O-N 2.85Å; E464-M467 PolarHBondContact O-N 2.87Å; E464-S468 PolarHBondContact O-N 2.89Å; E464-S468 PolarHBondContact O-OG 2.91Å; E464-T485 HydrophobicContact CB-CG2 4.38Å; E464-T485 VanDerWaalsContact CD-CG2 3.43Å; E464-T485 HydrophobicContact CG-CG2 3.9Å; E464-T485 WeakPolarHBondContact OE1-CB 3.44Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.2Å; E464-T485 PolarHBondContact OE1-OG1 3.26Å; E464-L507 HydrophobicContact CB-CD2 3.89Å
465	R	93.6	Very high	89.7	Confident	183 Å²	183	53.1 Å²	53.1	69%	0.691	29%	0.286	S	S	*	.	H	α-helix	trans	-57.3	-44.4	174	-71.5	169.5	-177	-173.5	0.5	112.3	K461 Q462 I463 T469	K461-R465 VanDerWaalsContact O-CG 3.3Å; K461-R465 WeakPolarHBondContact O-CG 3.41Å; K461-R465 PolarHBondContact O-N 3.37Å; Q462-R465 PolarHBondContact O-N 3.3Å; I463-R465 PolarHBondContact O-N 2.93Å; R465-T469 PolarHBondContact O-N 3.3Å; R465-T469 PolarHBondContact O-OG1 3.49Å; R465-T469 VanDerWaalsContact O-OG1 3.12Å
466	W	94.5	Very high	88.6	Confident	62 Å²	62	56.2 Å²	56.2	24%	0.235	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-40	177.5	-62.7	-28.4	0	0	0	112.6	T423 W424 L427 Q462 I463 E464 T469 L470	T423-W466 HydrophobicContact CG2-CZ3 4.28Å; W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.8Å; W424-W466 AromaticContact CZ2-CD2 3.77Å; W424-W466 HydrophobicContact CZ2-CD2 3.77Å; W424-W466 HydrophobicContact CZ2-CE3 4.34Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.82Å; W424-W466 AromaticContact NE1-CE2 3.84Å; W424-W466 AromaticContact NE1-CE3 3.84Å; W424-W466 AromaticContact NE1-CH2 3.97Å; W424-W466 AromaticContact NE1-CZ2 3.92Å; W424-W466 AromaticContact NE1-CZ3 3.93Å; L427-W466 HydrophobicContact CD2-CB 3.76Å; L427-W466 HydrophobicContact CD2-CE3 4.03Å; Q462-W466 HydrophobicContact CG-CD2 4.39Å; Q462-W466 HydrophobicContact CG-CH2 3.77Å; Q462-W466 HydrophobicContact CG-CZ2 3.54Å; Q462-W466 HydrophobicContact CG-CZ3 4.3Å; Q462-W466 PolarHBondContact O-N 2.95Å; I463-W466 HydrophobicContact CG1-CE3 4.07Å; I463-W466 HydrophobicContact CG1-CZ3 4.03Å; I463-W466 PolarHBondContact O-N 2.89Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 VanDerWaalsContact C-N 3.35Å; E464-W466 PolarHBondContact O-N 2.85Å; W466-T469 PolarHBondContact O-N 3.07Å; W466-L470 VanDerWaalsContact O-CG 3.27Å; W466-L470 WeakPolarHBondContact O-CG 3.39Å; W466-L470 PolarHBondContact O-N 3.48Å; W466-L470 VanDerWaalsContact O-N 3.09Å
467	M	95.1	Very high	87	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-51.1	174.7	-73.3	178.1	170.8	0	0	110.7	L427 F452 I463 E464 T469 L470 L471 V483 I505 L507	L427-M467 HydrophobicContact CD1-CE 3.68Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; F452-M467 HydrophobicContact CB-CE 4Å; F452-M467 HydrophobicContact CD1-CE 4.41Å; F452-M467 HydrophobicContact CD2-CE 3.27Å; F452-M467 HydrophobicContact CE2-CE 3.78Å; F452-M467 HydrophobicContact CG-CE 3.64Å; I463-M467 HydrophobicContact CG2-CE 3.71Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.16Å; I463-M467 WeakPolarHBondContact O-CG 3.4Å; I463-M467 PolarHBondContact O-N 3.1Å; E464-M467 PolarHBondContact O-N 2.87Å; M467-T469 VanDerWaalsContact C-N 3.33Å; M467-T469 PolarHBondContact O-N 3.03Å; M467-L470 WeakPolarHBondContact O-CB 3.3Å; M467-L470 PolarHBondContact O-N 3.34Å; M467-L470 VanDerWaalsContact O-N 3.07Å; M467-L471 HydrophobicContact CB-CD1 4.11Å; M467-L471 WeakPolarHBondContact O-CB 3.31Å; M467-L471 WeakPolarHBondContact O-CD1 3.26Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.33Å; M467-L471 PolarHBondContact O-N 3.49Å; M467-V483 HydrophobicContact CB-CG2 4.13Å; M467-V483 HydrophobicContact SD-CG1 4.33Å; M467-V483 HydrophobicContact SD-CG2 4.49Å; M467-I505 HydrophobicContact CE-CD1 3.96Å; M467-I505 HydrophobicContact CE-CG2 3.8Å; M467-I505 HydrophobicContact CG-CD1 4.23Å; M467-I505 HydrophobicContact SD-CD1 3.82Å; M467-I505 HydrophobicContact SD-CG2 4.02Å; M467-L507 HydrophobicContact SD-CD2 3.94Å
468	S	91.8	Very high	85.7	Confident	62 Å²	62	54.6 Å²	54.6	43%	0.434	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-40.9	179.7	-62.5	0	0	0	0	112.7	E464 L471 C472	E464-S468 PolarHBondContact O-N 2.89Å; E464-S468 PolarHBondContact O-OG 2.91Å; S468-L471 PolarHBondContact O-N 2.81Å; S468-C472 WeakPolarHBondContact O-CB 3.31Å; S468-C472 PolarHBondContact O-N 3.31Å
469	T	90.8	Very high	84.8	Confident	56 Å²	56	55.8 Å²	55.8	34%	0.344	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-34.6	175.6	-53	0	0	0	0	113.1	M388 R465 W466 M467	M388-T469 HydrophobicContact CE-CG2 3.76Å; M388-T469 HydrophobicContact CG-CG2 3.86Å; M388-T469 HydrophobicContact SD-CG2 3.65Å; R465-T469 PolarHBondContact O-N 3.3Å; R465-T469 PolarHBondContact O-OG1 3.49Å; R465-T469 VanDerWaalsContact O-OG1 3.12Å; W466-T469 PolarHBondContact O-N 3.07Å; M467-T469 VanDerWaalsContact C-N 3.33Å; M467-T469 PolarHBondContact O-N 3.03Å
470	L	92.7	Very high	84.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-69.6	-39.8	175.1	-70.7	167.8	0	0	0	112.2	I381 A384 M385 M388 W424 L427 C431 W466 M467	I381-L470 HydrophobicContact CD1-CB 3.95Å; I381-L470 HydrophobicContact CD1-CD2 3.97Å; I381-L470 WeakPolarHBondContact CD1-O 3.43Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; A384-L470 HydrophobicContact CB-CD2 4.02Å; M385-L470 HydrophobicContact CG-CD2 4Å; M388-L470 HydrophobicContact CE-CD2 3.75Å; M388-L470 HydrophobicContact CE-CG 3.93Å; W424-L470 HydrophobicContact CH2-CD1 4.2Å; W424-L470 HydrophobicContact CH2-CG 4.48Å; W424-L470 HydrophobicContact CZ3-CD1 4.03Å; W424-L470 HydrophobicContact CZ3-CD2 4.24Å; L427-L470 HydrophobicContact CD2-CD1 4.14Å; L427-L470 HydrophobicContact CG-CD1 3.88Å; C431-L470 HydrophobicContact CB-CB 3.88Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.54Å; W466-L470 VanDerWaalsContact O-CG 3.27Å; W466-L470 WeakPolarHBondContact O-CG 3.39Å; W466-L470 PolarHBondContact O-N 3.48Å; W466-L470 VanDerWaalsContact O-N 3.09Å; M467-L470 WeakPolarHBondContact O-CB 3.3Å; M467-L470 PolarHBondContact O-N 3.34Å; M467-L470 VanDerWaalsContact O-N 3.07Å
471	L	91.1	Very high	84.4	Confident	5 Å²	5	59 Å²	59	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-83.9	-38.6	-172.6	-67.1	160.3	0	0	0	112.4	C431 H435 M467 S468 L473 L474 G475 D482 V483 I505	C431-L471 HydrophobicContact CB-CD2 3.89Å; C431-L471 HydrophobicContact CB-CG 4.03Å; C431-L471 WeakPolarHBondContact O-CD2 3.38Å; H435-L471 HydrophobicContact CB-CD2 3.81Å; M467-L471 HydrophobicContact CB-CD1 4.11Å; M467-L471 WeakPolarHBondContact O-CB 3.31Å; M467-L471 WeakPolarHBondContact O-CD1 3.26Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.33Å; M467-L471 PolarHBondContact O-N 3.49Å; S468-L471 PolarHBondContact O-N 2.81Å; L471-L473 PolarHBondContact O-N 3.34Å; L471-L473 VanDerWaalsContact O-N 3.14Å; L471-L474 HydrophobicContact CD2-CD1 4.38Å; L471-L474 WeakPolarHBondContact O-CB 2.99Å; L471-L474 PolarHBondContact O-N 3.05Å; L471-G475 PolarHBondContact O-N 3.28Å; L471-D482 HydrophobicContact CD1-CB 4.27Å; L471-V483 HydrophobicContact CD1-CG2 3.4Å; L471-I505 HydrophobicContact CD1-CD1 4.15Å
472	C	86.8	Confident	84.2	Confident	98 Å²	98	55.5 Å²	55.5	66%	0.662	33%	0.329	S	S	*	.	H	α-helix	trans	-52.9	-37.2	177.6	177.8	0	0	0	0	112.9	S468 G475	S468-C472 WeakPolarHBondContact O-CB 3.31Å; S468-C472 PolarHBondContact O-N 3.31Å; C472-G475 PolarHBondContact O-N 2.97Å
473	L	81.4	Confident	84.2	Confident	69 Å²	69	51.9 Å²	51.9	36%	0.361	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.6	179.7	-72.7	167.2	0	0	0	114.6	I380 A384 L471	I380-L473 VanDerWaalsContact CG2-C 3.48Å; I380-L473 HydrophobicContact CG2-CB 3.88Å; I380-L473 WeakPolarHBondContact CG2-O 3.48Å; A384-L473 HydrophobicContact CB-CD1 3.54Å; L471-L473 PolarHBondContact O-N 3.34Å; L471-L473 VanDerWaalsContact O-N 3.14Å
474	L	82.9	Confident	84.2	Confident	42 Å²	42	51.7 Å²	51.7	22%	0.22	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-32.9	168.8	-68.7	167.8	0	0	0	111.4	I380 I381 H435 L471	I380-L474 HydrophobicContact CB-CD2 4.13Å; I380-L474 HydrophobicContact CD1-CD2 4.23Å; I380-L474 HydrophobicContact CG2-CD2 3.86Å; I380-L474 HydrophobicContact CG2-CG 4.22Å; I381-L474 HydrophobicContact CD1-CD1 4.03Å; I381-L474 HydrophobicContact CD1-CG 4.39Å; I381-L474 HydrophobicContact CG1-CD1 4.38Å; I381-L474 HydrophobicContact CG1-CD2 4.38Å; H435-L474 HydrophobicContact CB-CD1 3.98Å; L471-L474 HydrophobicContact CD2-CD1 4.38Å; L471-L474 WeakPolarHBondContact O-CB 2.99Å; L471-L474 PolarHBondContact O-N 3.05Å
475	G	71.8	Confident	84.2	Confident	32 Å²	32	50.4 Å²	50.4	33%	0.33	31%	0.309	S	S	.	.			trans	83.8	135.7	178.3	0	0	0	0	0	113.5	H435 L471 C472 A477	H435-G475 PolarHBondContact CE1-O 3.41Å; H435-G475 PolarHBondContact NE2-O 3.5Å; L471-G475 PolarHBondContact O-N 3.28Å; C472-G475 PolarHBondContact O-N 2.97Å; G475-A477 PolarHBondContact O-N 2.84Å
476	S	64	Low	84.2	Confident	78 Å²	78	41.7 Å²	41.7	55%	0.545	28%	0.276	S	S	.	.			trans	-90.4	85.4	-171.8	-53.2	0	0	0	0	112.3	D482	S476-D482 WeakPolarHBondContact CB-OD2 3.25Å; S476-D482 PolarHBondContact OG-OD2 2.98Å
477	A	55	Low	84.1	Confident	88 Å²	88	40.4 Å²	40.4	73%	0.727	27%	0.271	S	S	*	.			trans	-82	-14.7	-175.7	0	0	0	0	0	115.6	G475	G475-A477 PolarHBondContact O-N 2.84Å
478	S	61.3	Low	83.8	Confident	31 Å²	31	43.6 Å²	43.6	22%	0.217	29%	0.288	C	S	.	.	S	Bend	trans	-102.5	-5.6	-169.8	52	0	0	0	0	116	Q439 F480	Q439-S478 PolarHBondContact NE2-OG 3.27Å; Q439-S478 VanDerWaalsContact OE1-CB 3.26Å; S478-F480 PolarHBondContact O-N 3.33Å; S478-F480 VanDerWaalsContact O-N 3.1Å
479	G	69.4	Low	83.3	Confident	77 Å²	77	45.6 Å²	45.6	79%	0.794	29%	0.289	S	S	*	.	S	Bend	trans	66.2	6.2	-176.4	0	0	0	0	0	115.5
480	F	83.1	Confident	83	Confident	33 Å²	33	48.1 Å²	48.1	15%	0.145	30%	0.304	C	S	.	.	S	Bend	trans	-91.5	161.7	172.7	-60.4	-49.8	0	0	0	111.8	L438 D443 S478 D482 P502	L438-F480 HydrophobicContact CD1-CB 3.92Å; L438-F480 HydrophobicContact CD1-CD2 3.91Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.04Å; L438-F480 HydrophobicContact CG-CB 4.22Å; L438-F480 HydrophobicContact CG-CD2 4.3Å; D443-F480 HydrophobicContact CB-CZ 4.32Å; S478-F480 PolarHBondContact O-N 3.33Å; S478-F480 VanDerWaalsContact O-N 3.1Å; F480-D482 PolarHBondContact O-N 2.77Å; F480-P502 HydrophobicContact CD1-CB 4.25Å; F480-P502 HydrophobicContact CD1-CG 4.23Å; F480-P502 HydrophobicContact CD2-CB 4.03Å; F480-P502 HydrophobicContact CD2-CG 4.35Å; F480-P502 HydrophobicContact CE1-CB 4.41Å; F480-P502 HydrophobicContact CE1-CG 3.92Å; F480-P502 HydrophobicContact CE2-CB 4.19Å; F480-P502 HydrophobicContact CE2-CG 4.05Å; F480-P502 HydrophobicContact CG-CB 4.1Å; F480-P502 HydrophobicContact CG-CG 4.48Å; F480-P502 HydrophobicContact CZ-CB 4.41Å; F480-P502 HydrophobicContact CZ-CG 3.85Å
481	E	89.3	Confident	82.7	Confident	71 Å²	71	52.2 Å²	52.2	33%	0.332	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.7	176.9	-61.4	-171.6	-107.9	0	0	110.6	V483 V484 R498 G504	E481-V483 VanDerWaalsContact C-N 3.29Å; E481-V483 PolarHBondContact O-N 2.96Å; E481-V484 HydrophobicContact CB-CG2 3.89Å; E481-V484 HydrophobicContact CG-CG2 4.44Å; E481-R498 WeakPolarHBondContact OE1-CB 3.29Å; E481-R498 VanDerWaalsContact OE1-CG 3.3Å; E481-R498 WeakPolarHBondContact OE1-CG 3.33Å; E481-R498 IonicContact OE1-CZ 3.25Å; E481-R498 IonicContact OE1-NE 2.79Å; E481-R498 PolarHBondContact OE1-NE 2.57Å; E481-R498 IonicContact OE2-CZ 3.5Å; E481-R498 VanDerWaalsContact OE2-CZ 3.26Å; E481-R498 IonicContact OE2-NE 2.97Å; E481-R498 PolarHBondContact OE2-NE 3.08Å; E481-R498 IonicContact OE2-NH2 2.81Å; E481-R498 PolarHBondContact OE2-NH2 3.13Å; E481-G504 PolarHBondContact O-N 2.92Å
482	D	89.8	Confident	82.5	Confident	20 Å²	20	53.4 Å²	53.4	11%	0.107	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	-34.2	175.4	-79.5	-68.8	0	0	0	112.2	H435 L471 S476 F480 G504 I505	H435-D482 IonicContact CE1-OD1 3.49Å; H435-D482 IonicContact CG-OD1 2.92Å; H435-D482 IonicContact ND1-OD1 2.7Å; H435-D482 PolarHBondContact ND1-OD1 2.84Å; L471-D482 HydrophobicContact CD1-CB 4.27Å; S476-D482 WeakPolarHBondContact CB-OD2 3.25Å; S476-D482 PolarHBondContact OG-OD2 2.98Å; F480-D482 PolarHBondContact O-N 2.77Å; D482-G504 WeakPolarHBondContact O-CA 2.81Å; D482-I505 PolarHBondContact O-N 3.18Å
483	V	93.9	Very high	82.6	Confident	28 Å²	28	54.2 Å²	54.2	17%	0.17	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132.5	175.3	-171.2	0	0	0	0	110.8	M467 L471 E481 T485 I505	M467-V483 HydrophobicContact CB-CG2 4.13Å; M467-V483 HydrophobicContact SD-CG1 4.33Å; M467-V483 HydrophobicContact SD-CG2 4.49Å; L471-V483 HydrophobicContact CD1-CG2 3.4Å; E481-V483 VanDerWaalsContact C-N 3.29Å; E481-V483 PolarHBondContact O-N 2.96Å; V483-T485 HydrophobicContact CG1-CG2 4.14Å; V483-I505 CarbonylContact C-O 3.59Å; V483-I505 WeakPolarHBondContact CA-O 3.43Å; V483-I505 HydrophobicContact CG2-CB 4.48Å; V483-I505 HydrophobicContact CG2-CD1 4.46Å
484	V	94.8	Very high	83	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.7	167.1	171.4	0	0	0	0	108.5	E481 I495 R498 V503 I505 L506 L507	E481-V484 HydrophobicContact CB-CG2 3.89Å; E481-V484 HydrophobicContact CG-CG2 4.44Å; V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.37Å; V484-R498 HydrophobicContact CG2-CB 4.47Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.6Å; V484-V503 HydrophobicContact CG2-CG2 3.92Å; V484-I505 PolarHBondContact N-O 3.26Å; V484-L506 HydrophobicContact CG1-CD1 4.36Å; V484-L506 WeakPolarHBondContact O-CA 3.38Å; V484-L507 PolarHBondContact O-N 2.98Å
485	T	95.7	Very high	83.5	Confident	23 Å²	23	51.2 Å²	51.2	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.3	175.5	48	0	0	0	0	112.5	E464 V483 W487 I495 L507	E464-T485 HydrophobicContact CB-CG2 4.38Å; E464-T485 VanDerWaalsContact CD-CG2 3.43Å; E464-T485 HydrophobicContact CG-CG2 3.9Å; E464-T485 WeakPolarHBondContact OE1-CB 3.44Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.2Å; E464-T485 PolarHBondContact OE1-OG1 3.26Å; V483-T485 HydrophobicContact CG1-CG2 4.14Å; T485-W487 HydrophobicContact CG2-CZ2 4.39Å; T485-I495 VanDerWaalsContact O-CD1 3.27Å; T485-I495 WeakPolarHBondContact O-CD1 3.35Å; T485-L507 WeakPolarHBondContact CA-O 3.43Å; T485-L507 HydrophobicContact CG2-CB 3.99Å; T485-L507 HydrophobicContact CG2-CD2 3.88Å; T485-L507 HydrophobicContact CG2-CG 4.07Å
486	H	94.2	Very high	84.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.5	178.7	178.1	32.8	0	0	0	109.7	D488 I495 L507 T508 L512	H486-D488 PolarHBondContact CE1-O 3.07Å; H486-D488 PolarHBondContact ND1-O 3.41Å; H486-I495 HydrophobicContact CB-CD1 4.14Å; H486-I495 HydrophobicContact CB-CG1 3.91Å; H486-I495 HydrophobicContact CB-CG2 4.07Å; H486-L507 PolarHBondContact N-O 3.41Å; H486-T508 WeakPolarHBondContact O-CB 3.31Å; H486-T508 PolarHBondContact O-OG1 2.79Å; H486-L512 WeakPolarHBondContact O-CD1 3.22Å
487	W	92.2	Very high	85.7	Confident	36 Å²	36	54.2 Å²	54.2	14%	0.136	31%	0.309	C	S	.	.			trans	-129.5	-12.3	-175.5	-57.2	123.6	0	0	0	115.3	C454 Q457 G460 T485 L507 T508 L512	C454-W487 WeakPolarHBondContact SG-CH2 3.37Å; Q457-W487 HydrophobicContact CB-CB 4.42Å; Q457-W487 HydrophobicContact CB-CD2 4.09Å; Q457-W487 HydrophobicContact CB-CE3 4.06Å; Q457-W487 HydrophobicContact CB-CG 4.26Å; Q457-W487 HydrophobicContact CG-CB 3.92Å; Q457-W487 HydrophobicContact CG-CD2 3.85Å; Q457-W487 HydrophobicContact CG-CE3 4.34Å; Q457-W487 HydrophobicContact CG-CG 3.64Å; G460-W487 VanDerWaalsContact CA-CH2 3.47Å; G460-W487 VanDerWaalsContact CA-CZ2 3.4Å; T485-W487 HydrophobicContact CG2-CZ2 4.39Å; W487-L507 HydrophobicContact CH2-CD1 4.11Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.36Å; W487-L507 HydrophobicContact CZ2-CD2 4.18Å; W487-L507 HydrophobicContact CZ2-CG 3.76Å; W487-T508 VanDerWaalsContact CZ3-C 3.42Å; W487-L512 VanDerWaalsContact C-CD1 3.45Å; W487-L512 VanDerWaalsContact CA-CD1 3.42Å
488	D	87.1	Confident	87.4	Confident	66 Å²	66	52.9 Å²	52.9	35%	0.353	29%	0.285	S	S	.	.			trans	-127.5	140.1	178.4	-178.8	11.4	0	0	0	110.5	H486 T490 Q491	H486-D488 PolarHBondContact CE1-O 3.07Å; H486-D488 PolarHBondContact ND1-O 3.41Å; D488-T490 VanDerWaalsContact C-N 3.34Å; D488-T490 VanDerWaalsContact CG-OG1 3.29Å; D488-T490 PolarHBondContact OD1-N 3.43Å; D488-T490 VanDerWaalsContact OD1-N 3.12Å; D488-T490 PolarHBondContact OD2-OG1 3.33Å; D488-Q491 HydrophobicContact CB-CG 4.12Å; D488-Q491 PolarHBondContact O-N 2.95Å
489	K	82.7	Confident	88.9	Confident	104 Å²	104	51.4 Å²	51.4	45%	0.452	28%	0.275	S	S	.	.	S	Bend	trans	-71.1	-27.9	-179.5	-63.6	-176.1	173	167.7	0	112.1	Q491 L492 D511 L512	K489-Q491 PolarHBondContact O-N 2.98Å; K489-L492 WeakPolarHBondContact O-CB 3.44Å; K489-L492 PolarHBondContact O-N 2.8Å; K489-D511 WeakPolarHBondContact CE-OD2 3.36Å; K489-D511 IonicContact NZ-OD2 3.5Å; K489-D511 PolarHBondContact NZ-OD2 3.01Å; K489-L512 HydrophobicContact CD-CD2 4.2Å; K489-L512 HydrophobicContact CG-CD2 3.4Å; K489-L512 VanDerWaalsContact CG-CD2 3.4Å
490	T	84.6	Confident	89.9	Confident	110 Å²	110	54.1 Å²	54.1	68%	0.675	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-32	173.7	74	0	0	0	0	111.8	D488 L492	D488-T490 VanDerWaalsContact C-N 3.34Å; D488-T490 VanDerWaalsContact CG-OG1 3.29Å; D488-T490 PolarHBondContact OD1-N 3.43Å; D488-T490 VanDerWaalsContact OD1-N 3.12Å; D488-T490 PolarHBondContact OD2-OG1 3.33Å; T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 2.97Å
491	Q	85.9	Confident	90.3	Very high	86 Å²	86	59.1 Å²	59.1	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.2	-174.8	-60.8	176.8	-14.5	0	0	113.8	D488 K489 V493 D494 I495	D488-Q491 HydrophobicContact CB-CG 4.12Å; D488-Q491 PolarHBondContact O-N 2.95Å; K489-Q491 PolarHBondContact O-N 2.98Å; Q491-V493 PolarHBondContact O-N 3.18Å; Q491-V493 VanDerWaalsContact O-N 3.08Å; Q491-D494 WeakPolarHBondContact O-CB 3.45Å; Q491-D494 PolarHBondContact O-N 2.82Å; Q491-I495 HydrophobicContact CB-CG1 4.47Å; Q491-I495 PolarHBondContact O-N 3.41Å; Q491-I495 VanDerWaalsContact O-N 3.09Å
492	L	86.9	Confident	90.4	Very high	30 Å²	30	55.8 Å²	55.8	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-49.3	-41.4	-175.1	179.7	64.2	0	0	0	113	K489 T490 I495 V496 L516	K489-L492 WeakPolarHBondContact O-CB 3.44Å; K489-L492 PolarHBondContact O-N 2.8Å; T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 2.97Å; L492-I495 PolarHBondContact O-N 2.88Å; L492-V496 HydrophobicContact CD1-CG2 4.09Å; L492-V496 HydrophobicContact CG-CG2 4.38Å; L492-V496 VanDerWaalsContact O-CB 3.28Å; L492-V496 WeakPolarHBondContact O-CB 3.47Å; L492-V496 WeakPolarHBondContact O-CG2 3.5Å; L492-V496 PolarHBondContact O-N 2.84Å; L492-L516 HydrophobicContact CD1-CD2 3.68Å; L492-L516 HydrophobicContact CD1-CG 4.35Å
493	V	87.8	Confident	90.6	Very high	115 Å²	115	54.9 Å²	54.9	70%	0.697	27%	0.266	S	S	*	.	H	α-helix	trans	-68.5	-34.2	179.8	-176.3	0	0	0	0	112.6	Q491 R497	Q491-V493 PolarHBondContact O-N 3.18Å; Q491-V493 VanDerWaalsContact O-N 3.08Å; V493-R497 WeakPolarHBondContact O-CB 3.37Å; V493-R497 PolarHBondContact O-N 3.38Å
494	D	91.1	Very high	90.6	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-67.1	-49	174	176.9	72.1	0	0	0	111.4	Q491 R497 R498	Q491-D494 WeakPolarHBondContact O-CB 3.45Å; Q491-D494 PolarHBondContact O-N 2.82Å; D494-R497 WeakPolarHBondContact O-CA 3.33Å; D494-R497 WeakPolarHBondContact O-CB 3.3Å; D494-R497 PolarHBondContact O-N 3.47Å; D494-R497 VanDerWaalsContact O-N 3.09Å; D494-R497 IonicContact OD1-CZ 3.84Å; D494-R497 IonicContact OD1-NH1 2.75Å; D494-R497 PolarHBondContact OD1-NH1 3.32Å; D494-R497 IonicContact OD1-NH2 2.68Å; D494-R497 PolarHBondContact OD1-NH2 3.06Å; D494-R498 WeakPolarHBondContact O-CG 3.27Å; D494-R498 PolarHBondContact O-N 2.93Å; D494-R498 WeakPolarHBondContact OD2-CD 3.18Å; D494-R498 IonicContact OD2-CZ 3.17Å; D494-R498 IonicContact OD2-NE 2.7Å; D494-R498 IonicContact OD2-NH1 2.89Å; D494-R498 PolarHBondContact OD2-NH1 2.69Å
495	I	92.8	Very high	90.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-44.4	-178.9	-56.9	-57.9	0	0	0	110.5	V484 T485 H486 Q491 L492 R497 R498 L499 L506 L516	V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.37Å; T485-I495 VanDerWaalsContact O-CD1 3.27Å; T485-I495 WeakPolarHBondContact O-CD1 3.35Å; H486-I495 HydrophobicContact CB-CD1 4.14Å; H486-I495 HydrophobicContact CB-CG1 3.91Å; H486-I495 HydrophobicContact CB-CG2 4.07Å; Q491-I495 HydrophobicContact CB-CG1 4.47Å; Q491-I495 PolarHBondContact O-N 3.41Å; Q491-I495 VanDerWaalsContact O-N 3.09Å; L492-I495 PolarHBondContact O-N 2.88Å; I495-R497 VanDerWaalsContact C-N 3.27Å; I495-R497 PolarHBondContact O-N 3.41Å; I495-R498 PolarHBondContact O-N 3.2Å; I495-L499 HydrophobicContact CG2-CD1 3.85Å; I495-L499 HydrophobicContact CG2-CG 4.24Å; I495-L499 WeakPolarHBondContact O-CB 3.43Å; I495-L499 VanDerWaalsContact O-CG 3.3Å; I495-L499 WeakPolarHBondContact O-CG 3.45Å; I495-L499 PolarHBondContact O-N 3.2Å; I495-L506 HydrophobicContact CG2-CD1 4.47Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 HydrophobicContact CG2-CD2 4.01Å
496	V	91.2	Very high	90.8	Very high	35 Å²	35	52.5 Å²	52.5	21%	0.212	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-36.4	172.9	166.8	0	0	0	0	111.7	L492 K500 L516 I525	L492-V496 HydrophobicContact CD1-CG2 4.09Å; L492-V496 HydrophobicContact CG-CG2 4.38Å; L492-V496 VanDerWaalsContact O-CB 3.28Å; L492-V496 WeakPolarHBondContact O-CB 3.47Å; L492-V496 WeakPolarHBondContact O-CG2 3.5Å; L492-V496 PolarHBondContact O-N 2.84Å; V496-K500 WeakPolarHBondContact O-CG 3.44Å; V496-L516 HydrophobicContact CG2-CD2 3.84Å; V496-I525 HydrophobicContact CG1-CG2 4.14Å; V496-I525 HydrophobicContact CG2-CD1 4.22Å
497	R	90.1	Very high	90.9	Very high	139 Å²	139	52.5 Å²	52.5	53%	0.525	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-41	174.7	167	171	44.1	53.5	-3.8	112.3	V493 D494 I495 K500	V493-R497 WeakPolarHBondContact O-CB 3.37Å; V493-R497 PolarHBondContact O-N 3.38Å; D494-R497 WeakPolarHBondContact O-CA 3.33Å; D494-R497 WeakPolarHBondContact O-CB 3.3Å; D494-R497 PolarHBondContact O-N 3.47Å; D494-R497 VanDerWaalsContact O-N 3.09Å; D494-R497 IonicContact OD1-CZ 3.84Å; D494-R497 IonicContact OD1-NH1 2.75Å; D494-R497 PolarHBondContact OD1-NH1 3.32Å; D494-R497 IonicContact OD1-NH2 2.68Å; D494-R497 PolarHBondContact OD1-NH2 3.06Å; I495-R497 VanDerWaalsContact C-N 3.27Å; I495-R497 PolarHBondContact O-N 3.41Å; R497-K500 WeakPolarHBondContact O-CB 3.31Å; R497-K500 PolarHBondContact O-N 2.69Å
498	R	92.1	Very high	91.2	Very high	59 Å²	59	50.8 Å²	50.8	22%	0.223	25%	0.246	C	C	.	.	H	α-helix	trans	-68.8	-43.6	179.6	-70.7	160.2	71.9	-170.8	1.7	111.5	E481 V484 D494 I495 K500 K501	E481-R498 WeakPolarHBondContact OE1-CB 3.29Å; E481-R498 VanDerWaalsContact OE1-CG 3.3Å; E481-R498 WeakPolarHBondContact OE1-CG 3.33Å; E481-R498 IonicContact OE1-CZ 3.25Å; E481-R498 IonicContact OE1-NE 2.79Å; E481-R498 PolarHBondContact OE1-NE 2.57Å; E481-R498 IonicContact OE2-CZ 3.5Å; E481-R498 VanDerWaalsContact OE2-CZ 3.26Å; E481-R498 IonicContact OE2-NE 2.97Å; E481-R498 PolarHBondContact OE2-NE 3.08Å; E481-R498 IonicContact OE2-NH2 2.81Å; E481-R498 PolarHBondContact OE2-NH2 3.13Å; V484-R498 HydrophobicContact CG2-CB 4.47Å; D494-R498 WeakPolarHBondContact O-CG 3.27Å; D494-R498 PolarHBondContact O-N 2.93Å; D494-R498 WeakPolarHBondContact OD2-CD 3.18Å; D494-R498 IonicContact OD2-CZ 3.17Å; D494-R498 IonicContact OD2-NE 2.7Å; D494-R498 IonicContact OD2-NH1 2.89Å; D494-R498 PolarHBondContact OD2-NH1 2.69Å; I495-R498 PolarHBondContact O-N 3.2Å; R498-K500 PolarHBondContact O-N 3.31Å; R498-K500 VanDerWaalsContact O-N 3.07Å; R498-K501 PolarHBondContact O-N 2.85Å; R498-K501 VanDerWaalsContact O-N 3.1Å
499	L	92.5	Very high	91.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-3.4	176.6	-63.3	178	0	0	0	114.9	G447 I495 K501 V503 L506 L516 I525	G447-L499 WeakPolarHBondContact CA-O 3.26Å; G447-L499 PolarHBondContact N-O 2.86Å; I495-L499 HydrophobicContact CG2-CD1 3.85Å; I495-L499 HydrophobicContact CG2-CG 4.24Å; I495-L499 WeakPolarHBondContact O-CB 3.43Å; I495-L499 VanDerWaalsContact O-CG 3.3Å; I495-L499 WeakPolarHBondContact O-CG 3.45Å; I495-L499 PolarHBondContact O-N 3.2Å; L499-K501 VanDerWaalsContact C-N 3.26Å; L499-V503 HydrophobicContact CD2-CB 4.38Å; L499-V503 HydrophobicContact CD2-CG1 4.49Å; L499-V503 HydrophobicContact CD2-CG2 4.21Å; L499-L506 HydrophobicContact CD1-CD1 4.37Å; L499-L506 HydrophobicContact CD1-CD2 4.05Å; L499-L506 HydrophobicContact CD2-CD1 4.47Å; L499-L516 HydrophobicContact CD1-CD1 4.02Å; L499-L516 HydrophobicContact CD1-CD2 4.31Å; L499-I525 HydrophobicContact CB-CB 3.98Å; L499-I525 HydrophobicContact CB-CG2 4.16Å
500	K	90.4	Very high	92.1	Very high	134 Å²	134	43.4 Å²	43.4	58%	0.583	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.1	167.7	-75.8	174.2	-179.1	-177.6	0	113.4	R446 V496 R497 R498 I525	R446-K500 WeakPolarHBondContact CB-O 3.34Å; V496-K500 WeakPolarHBondContact O-CG 3.44Å; R497-K500 WeakPolarHBondContact O-CB 3.31Å; R497-K500 PolarHBondContact O-N 2.69Å; R498-K500 PolarHBondContact O-N 3.31Å; R498-K500 VanDerWaalsContact O-N 3.07Å; K500-I525 HydrophobicContact CG-CG2 4.31Å
501	K	90.3	Very high	92.3	Very high	139 Å²	139	39.8 Å²	39.8	60%	0.604	19%	0.188	S	C	*	.	S	Bend	trans	-101.2	169.5	172.9	-72.1	-171.3	175.5	-171.9	0	111	G445 R446 G447 R498 L499 V503	G445-K501 CarbonylContact O-C 3.56Å; R446-K501 CarbonylContact C-O 3.6Å; R446-K501 WeakPolarHBondContact CA-O 3.37Å; G447-K501 PolarHBondContact N-O 3.07Å; G447-K501 VanDerWaalsContact N-O 3.11Å; R498-K501 PolarHBondContact O-N 2.85Å; R498-K501 VanDerWaalsContact O-N 3.1Å; L499-K501 VanDerWaalsContact C-N 3.26Å; K501-V503 PolarHBondContact O-N 3.28Å
502	P	92.5	Very high	92.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.1	165	-18.2	32.7	0	0	0	110.1	L438 R441 G445 F480	L438-P502 HydrophobicContact CD1-CB 3.83Å; R441-P502 HydrophobicContact CB-CB 4.25Å; G445-P502 WeakPolarHBondContact O-CD 3.34Å; F480-P502 HydrophobicContact CD1-CB 4.25Å; F480-P502 HydrophobicContact CD1-CG 4.23Å; F480-P502 HydrophobicContact CD2-CB 4.03Å; F480-P502 HydrophobicContact CD2-CG 4.35Å; F480-P502 HydrophobicContact CE1-CB 4.41Å; F480-P502 HydrophobicContact CE1-CG 3.92Å; F480-P502 HydrophobicContact CE2-CB 4.19Å; F480-P502 HydrophobicContact CE2-CG 4.05Å; F480-P502 HydrophobicContact CG-CB 4.1Å; F480-P502 HydrophobicContact CG-CG 4.48Å; F480-P502 HydrophobicContact CZ-CB 4.41Å; F480-P502 HydrophobicContact CZ-CG 3.85Å
503	V	93.4	Very high	93.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.6	175.2	168.4	0	0	0	0	108.3	G447 P448 T449 V484 L499 K501	G447-V503 PolarHBondContact O-N 3.31Å; G447-V503 VanDerWaalsContact O-N 3.13Å; P448-V503 CarbonylContact C-O 3.58Å; P448-V503 WeakPolarHBondContact CA-O 3.24Å; T449-V503 PolarHBondContact N-O 3.45Å; T449-V503 PolarHBondContact OG1-O 3.43Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.6Å; V484-V503 HydrophobicContact CG2-CG2 3.92Å; L499-V503 HydrophobicContact CD2-CB 4.38Å; L499-V503 HydrophobicContact CD2-CG1 4.49Å; L499-V503 HydrophobicContact CD2-CG2 4.21Å; K501-V503 PolarHBondContact O-N 3.28Å
504	G	93.9	Very high	93.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-88.8	171.2	0	0	0	0	0	110.9	S434 T449 C450 E481 D482	S434-G504 WeakPolarHBondContact OG-CA 3.46Å; S434-G504 PolarHBondContact OG-O 3.16Å; S434-G504 VanDerWaalsContact OG-O 3.1Å; T449-G504 PolarHBondContact N-O 3.28Å; C450-G504 PolarHBondContact N-O 2.81Å; E481-G504 PolarHBondContact O-N 2.92Å; D482-G504 WeakPolarHBondContact O-CA 2.81Å
505	I	96.8	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.6	-175.2	-48.7	173.7	0	0	0	110.6	V430 S434 C450 F452 M467 L471 D482 V483 V484	V430-I505 HydrophobicContact CG1-CD1 4.16Å; S434-I505 WeakPolarHBondContact OG-CG1 3.31Å; C450-I505 HydrophobicContact CB-CG1 4.27Å; C450-I505 HydrophobicContact CB-CG2 4.47Å; C450-I505 CarbonylContact O-C 3.53Å; C450-I505 WeakPolarHBondContact O-CA 3.23Å; F452-I505 HydrophobicContact CB-CG2 3.97Å; M467-I505 HydrophobicContact CE-CD1 3.96Å; M467-I505 HydrophobicContact CE-CG2 3.8Å; M467-I505 HydrophobicContact CG-CD1 4.23Å; M467-I505 HydrophobicContact SD-CD1 3.82Å; M467-I505 HydrophobicContact SD-CG2 4.02Å; L471-I505 HydrophobicContact CD1-CD1 4.15Å; D482-I505 PolarHBondContact O-N 3.18Å; V483-I505 CarbonylContact C-O 3.59Å; V483-I505 WeakPolarHBondContact CA-O 3.43Å; V483-I505 HydrophobicContact CG2-CB 4.48Å; V483-I505 HydrophobicContact CG2-CD1 4.46Å; V484-I505 PolarHBondContact N-O 3.26Å
506	L	97.4	Very high	93.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.2	160.9	171.3	63.1	0	0	0	108.8	P448 C450 F452 V484 I495 L499 T508 L513 L516 F526	P448-L506 HydrophobicContact CB-CB 3.77Å; P448-L506 HydrophobicContact CG-CB 3.88Å; P448-L506 HydrophobicContact CG-CD2 4.37Å; C450-L506 PolarHBondContact O-N 3.44Å; F452-L506 PolarHBondContact N-O 3.19Å; V484-L506 HydrophobicContact CG1-CD1 4.36Å; V484-L506 WeakPolarHBondContact O-CA 3.38Å; I495-L506 HydrophobicContact CG2-CD1 4.47Å; L499-L506 HydrophobicContact CD1-CD1 4.37Å; L499-L506 HydrophobicContact CD1-CD2 4.05Å; L499-L506 HydrophobicContact CD2-CD1 4.47Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; L506-L513 HydrophobicContact CD2-CD1 4.35Å; L506-L516 HydrophobicContact CD1-CD1 4.36Å; L506-L516 HydrophobicContact CD2-CD1 3.89Å; L506-F526 HydrophobicContact CD2-CE1 3.88Å; L506-F526 HydrophobicContact CD2-CZ 4.01Å
507	L	98.1	Very high	93	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.2	179.4	166.8	67	0	0	0	110.9	F452 I463 E464 M467 V484 T485 H486 W487	F452-L507 HydrophobicContact CB-CB 4.35Å; F452-L507 HydrophobicContact CB-CD1 3.92Å; F452-L507 HydrophobicContact CD1-CD1 3.54Å; F452-L507 HydrophobicContact CE1-CD1 4.41Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.4Å; I463-L507 HydrophobicContact CB-CD2 4.45Å; I463-L507 HydrophobicContact CG2-CD1 4.37Å; I463-L507 HydrophobicContact CG2-CD2 4.2Å; E464-L507 HydrophobicContact CB-CD2 3.89Å; M467-L507 HydrophobicContact SD-CD2 3.94Å; V484-L507 PolarHBondContact O-N 2.98Å; T485-L507 WeakPolarHBondContact CA-O 3.43Å; T485-L507 HydrophobicContact CG2-CB 3.99Å; T485-L507 HydrophobicContact CG2-CD2 3.88Å; T485-L507 HydrophobicContact CG2-CG 4.07Å; H486-L507 PolarHBondContact N-O 3.41Å; W487-L507 HydrophobicContact CH2-CD1 4.11Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.36Å; W487-L507 HydrophobicContact CZ2-CD2 4.18Å; W487-L507 HydrophobicContact CZ2-CG 3.76Å
508	T	97.3	Very high	92.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	-174.1	-169.1	-166.5	0	0	0	0	113.7	F452 V453 C454 H486 W487 L506 L512 L513	F452-T508 PolarHBondContact O-N 2.81Å; V453-T508 WeakPolarHBondContact CA-O 3.25Å; C454-T508 PolarHBondContact N-O 3.07Å; H486-T508 WeakPolarHBondContact O-CB 3.31Å; H486-T508 PolarHBondContact O-OG1 2.79Å; W487-T508 VanDerWaalsContact CZ3-C 3.42Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; T508-L512 VanDerWaalsContact OG1-CB 3.28Å; T508-L512 WeakPolarHBondContact OG1-CB 3.22Å; T508-L513 HydrophobicContact CG2-CB 3.86Å
509	S	94.8	Very high	92	Very high	13 Å²	13	29.3 Å²	29.3	9%	0.091	14%	0.139	C	C	.	.			trans	-102.7	168.9	173.4	62.9	0	0	0	0	112.7	D511 L512 L513	S509-D511 WeakPolarHBondContact CB-OD1 3.28Å; S509-D511 PolarHBondContact O-N 3.17Å; S509-D511 PolarHBondContact OG-OD1 2.94Å; S509-L512 PolarHBondContact O-N 2.74Å; S509-L512 WeakPolarHBondContact OG-CD1 3.4Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.43Å; S509-L513 WeakPolarHBondContact O-CB 3.21Å; S509-L513 PolarHBondContact O-N 2.71Å
510	V	93.5	Very high	90.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-58.1	-47.2	-177.3	170.9	0	0	0	0	113.2	V453 L514 M542 L546 D549 L553	V453-V510 HydrophobicContact CG1-CG2 3.79Å; V510-L514 WeakPolarHBondContact O-CB 3.48Å; V510-L514 PolarHBondContact O-N 2.9Å; V510-M542 HydrophobicContact CG2-CB 4.01Å; V510-M542 HydrophobicContact CG2-CG 4.03Å; V510-M542 HydrophobicContact CG2-SD 3.58Å; V510-M542 VanDerWaalsContact CG2-SD 3.58Å; V510-L546 HydrophobicContact CB-CD1 4.34Å; V510-D549 HydrophobicContact CG1-CB 4.18Å; V510-L553 HydrophobicContact CB-CD2 4.34Å; V510-L553 HydrophobicContact CG1-CB 4.24Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.14Å
511	D	90.6	Very high	89.3	Confident	33 Å²	33	29.4 Å²	29.4	18%	0.176	15%	0.153	C	C	.	.	H	α-helix	trans	-71.9	-38.2	-176.5	61.7	-40.9	0	0	0	112.4	K489 S509 L514 Q515 L546	K489-D511 WeakPolarHBondContact CE-OD2 3.36Å; K489-D511 IonicContact NZ-OD2 3.5Å; K489-D511 PolarHBondContact NZ-OD2 3.01Å; S509-D511 WeakPolarHBondContact CB-OD1 3.28Å; S509-D511 PolarHBondContact O-N 3.17Å; S509-D511 PolarHBondContact OG-OD1 2.94Å; D511-L514 PolarHBondContact O-N 2.68Å; D511-Q515 WeakPolarHBondContact O-CG 3.41Å; D511-Q515 PolarHBondContact O-N 3.41Å; D511-L546 HydrophobicContact CB-CD1 3.92Å
512	L	93.6	Very high	87.5	Confident	4 Å²	4	29 Å²	29	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-40.7	175.5	-65.3	-179.2	0	0	0	111.8	H486 W487 K489 T508 S509 Q515 L516	H486-L512 WeakPolarHBondContact O-CD1 3.22Å; W487-L512 VanDerWaalsContact C-CD1 3.45Å; W487-L512 VanDerWaalsContact CA-CD1 3.42Å; K489-L512 HydrophobicContact CD-CD2 4.2Å; K489-L512 HydrophobicContact CG-CD2 3.4Å; K489-L512 VanDerWaalsContact CG-CD2 3.4Å; T508-L512 VanDerWaalsContact OG1-CB 3.28Å; T508-L512 WeakPolarHBondContact OG1-CB 3.22Å; S509-L512 PolarHBondContact O-N 2.74Å; S509-L512 WeakPolarHBondContact OG-CD1 3.4Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.43Å; L512-Q515 PolarHBondContact O-N 3.05Å; L512-L516 PolarHBondContact O-N 3.3Å
513	L	94.3	Very high	86	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-45.9	170.7	-178.2	57.1	0	0	0	111	I451 V453 L506 T508 S509 Q515 L516 L517 F526 L553	I451-L513 HydrophobicContact CG2-CD1 4.12Å; I451-L513 HydrophobicContact CG2-CD2 3.82Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; L506-L513 HydrophobicContact CD2-CD1 4.35Å; T508-L513 HydrophobicContact CG2-CB 3.86Å; S509-L513 WeakPolarHBondContact O-CB 3.21Å; S509-L513 PolarHBondContact O-N 2.71Å; L513-Q515 VanDerWaalsContact C-N 3.27Å; L513-Q515 PolarHBondContact O-N 3.02Å; L513-L516 PolarHBondContact O-N 3.15Å; L513-L516 VanDerWaalsContact O-N 3.13Å; L513-L517 HydrophobicContact CD1-CD1 4.26Å; L513-L517 HydrophobicContact CD1-CD2 4.2Å; L513-L517 HydrophobicContact CD1-CG 4Å; L513-L517 HydrophobicContact CG-CD1 3.92Å; L513-L517 HydrophobicContact CG-CG 4.14Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.17Å; L513-L517 PolarHBondContact O-N 3.25Å; L513-F526 HydrophobicContact CD1-CE1 4.48Å; L513-F526 HydrophobicContact CD1-CZ 4.04Å; L513-L553 HydrophobicContact CD2-CD1 3.75Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.12Å
514	L	91.7	Very high	85.2	Confident	12 Å²	12	32.4 Å²	32.4	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-35.4	175.8	-84.9	176.4	0	0	0	113.2	V510 D511 L517 N518 D549 K552 L553 R556	V510-L514 WeakPolarHBondContact O-CB 3.48Å; V510-L514 PolarHBondContact O-N 2.9Å; D511-L514 PolarHBondContact O-N 2.68Å; L514-L517 PolarHBondContact O-N 2.94Å; L514-N518 WeakPolarHBondContact O-CB 3.45Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 3.02Å; L514-N518 PolarHBondContact O-ND2 3.23Å; L514-D549 HydrophobicContact CD1-CB 3.85Å; L514-D549 VanDerWaalsContact CD1-O 3.24Å; L514-D549 WeakPolarHBondContact CD1-O 3.45Å; L514-K552 HydrophobicContact CD1-CB 4.04Å; L514-K552 HydrophobicContact CD2-CB 4.46Å; L514-L553 HydrophobicContact CD1-CB 4.39Å; L514-L553 HydrophobicContact CD2-CB 4.28Å; L514-L553 HydrophobicContact CD2-CD1 4.4Å; L514-L553 HydrophobicContact CG-CB 4.19Å; L514-R556 HydrophobicContact CD2-CG 4.3Å
515	Q	90.1	Very high	84.8	Confident	61 Å²	61	32.4 Å²	32.4	29%	0.285	19%	0.189	S	C	.	.	H	α-helix	trans	-62.2	-49.9	171.7	-75.3	179.9	-41.9	0	0	110.9	D511 L512 L513 L517 N518 H519	D511-Q515 WeakPolarHBondContact O-CG 3.41Å; D511-Q515 PolarHBondContact O-N 3.41Å; L512-Q515 PolarHBondContact O-N 3.05Å; L513-Q515 VanDerWaalsContact C-N 3.27Å; L513-Q515 PolarHBondContact O-N 3.02Å; Q515-L517 PolarHBondContact O-N 3.05Å; Q515-N518 PolarHBondContact O-N 2.94Å; Q515-H519 WeakPolarHBondContact O-CB 3.44Å; Q515-H519 PolarHBondContact O-CD2 3.49Å; Q515-H519 PolarHBondContact O-N 3.16Å
516	L	91.1	Very high	84.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-44	175.3	-69.6	173.2	0	0	0	112.8	L492 I495 V496 L499 L506 L512 L513 N518 H519 I525 F526	L492-L516 HydrophobicContact CD1-CD2 3.68Å; L492-L516 HydrophobicContact CD1-CG 4.35Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 HydrophobicContact CG2-CD2 4.01Å; V496-L516 HydrophobicContact CG2-CD2 3.84Å; L499-L516 HydrophobicContact CD1-CD1 4.02Å; L499-L516 HydrophobicContact CD1-CD2 4.31Å; L506-L516 HydrophobicContact CD1-CD1 4.36Å; L506-L516 HydrophobicContact CD2-CD1 3.89Å; L512-L516 PolarHBondContact O-N 3.3Å; L513-L516 PolarHBondContact O-N 3.15Å; L513-L516 VanDerWaalsContact O-N 3.13Å; L516-N518 PolarHBondContact O-N 2.78Å; L516-H519 PolarHBondContact O-N 3.02Å; L516-I525 HydrophobicContact CB-CD1 4.42Å; L516-I525 HydrophobicContact CD2-CD1 4.22Å; L516-F526 HydrophobicContact CB-CE2 3.9Å; L516-F526 HydrophobicContact CB-CZ 3.96Å; L516-F526 HydrophobicContact CD1-CZ 4.43Å
517	L	87.8	Confident	83.9	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-35.5	179.8	-62.5	174.5	0	0	0	112.2	L513 L514 Q515 N520 F526 L553 M560	L513-L517 HydrophobicContact CD1-CD1 4.26Å; L513-L517 HydrophobicContact CD1-CD2 4.2Å; L513-L517 HydrophobicContact CD1-CG 4Å; L513-L517 HydrophobicContact CG-CD1 3.92Å; L513-L517 HydrophobicContact CG-CG 4.14Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.17Å; L513-L517 PolarHBondContact O-N 3.25Å; L514-L517 PolarHBondContact O-N 2.94Å; Q515-L517 PolarHBondContact O-N 3.05Å; L517-N520 WeakPolarHBondContact O-CB 3.1Å; L517-F526 HydrophobicContact CD2-CD2 3.87Å; L517-F526 HydrophobicContact CD2-CE1 4.43Å; L517-F526 HydrophobicContact CD2-CE2 3.64Å; L517-F526 HydrophobicContact CD2-CG 4.38Å; L517-F526 HydrophobicContact CD2-CZ 3.94Å; L517-F526 HydrophobicContact CG-CE2 4.43Å; L517-L553 HydrophobicContact CD1-CD1 3.71Å; L517-M560 HydrophobicContact CB-SD 4.13Å; L517-M560 HydrophobicContact CD1-SD 4.38Å; L517-M560 HydrophobicContact CD2-CE 3.6Å; L517-M560 HydrophobicContact CD2-SD 3.71Å; L517-M560 HydrophobicContact CG-SD 4.26Å
518	N	84.6	Confident	83.3	Confident	97 Å²	97	36.9 Å²	36.9	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-76.1	-27.8	175.3	-70.1	-33.8	0	0	0	112.8	L514 Q515 L516 N520 R556	L514-N518 WeakPolarHBondContact O-CB 3.45Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 3.02Å; L514-N518 PolarHBondContact O-ND2 3.23Å; Q515-N518 PolarHBondContact O-N 2.94Å; L516-N518 PolarHBondContact O-N 2.78Å; N518-N520 PolarHBondContact O-N 2.89Å; N518-R556 PolarHBondContact OD1-NH2 2.91Å
519	H	77.3	Confident	82.8	Confident	110 Å²	110	40.8 Å²	40.8	51%	0.509	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	21.5	173.3	-78	-75.2	0	0	0	113.9	Q515 L516 P521	Q515-H519 WeakPolarHBondContact O-CB 3.44Å; Q515-H519 PolarHBondContact O-CD2 3.49Å; Q515-H519 PolarHBondContact O-N 3.16Å; L516-H519 PolarHBondContact O-N 3.02Å; H519-P521 WeakPolarHBondContact O-CD 3.04Å
520	N	69.6	Low	82.6	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.118	24%	0.236	C	C	.	.			trans	-111.9	65.4	-178.3	-173.8	36	0	0	0	112.5	L517 N518 V522 G523 S524 I525 F526	L517-N520 WeakPolarHBondContact O-CB 3.1Å; N518-N520 PolarHBondContact O-N 2.89Å; N520-V522 VanDerWaalsContact C-N 3.34Å; N520-V522 PolarHBondContact O-N 2.89Å; N520-G523 VanDerWaalsContact OD1-C 3.31Å; N520-G523 VanDerWaalsContact OD1-CA 3.25Å; N520-G523 WeakPolarHBondContact OD1-CA 3.4Å; N520-G523 PolarHBondContact OD1-N 3.22Å; N520-S524 PolarHBondContact OD1-N 2.87Å; N520-I525 HydrophobicContact CB-CG1 4.2Å; N520-I525 PolarHBondContact OD1-N 2.99Å; N520-F526 HydrophobicContact CB-CD2 4.4Å
521	P	56	Low	82.5	Confident	114 Å²	114	40.5 Å²	40.5	74%	0.74	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.3	-167.8	24.6	-35.2	0	0	0	114.6	H519	H519-P521 WeakPolarHBondContact O-CD 3.04Å
522	V	53.4	Low	82.7	Confident	130 Å²	130	43 Å²	43	79%	0.788	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-144.4	66	174.1	-167.2	0	0	0	0	110.5	N520 S524	N520-V522 VanDerWaalsContact C-N 3.34Å; N520-V522 PolarHBondContact O-N 2.89Å; V522-S524 PolarHBondContact O-N 3.2Å
523	G	61.6	Low	82.7	Confident	25 Å²	25	43.2 Å²	43.2	26%	0.258	25%	0.247	S	C	.	.	S	Bend	trans	51.7	35.2	168.1	0	0	0	0	0	115.4	R446 N520	R446-G523 VanDerWaalsContact CZ-O 3.26Å; R446-G523 PolarHBondContact NE-O 2.9Å; R446-G523 PolarHBondContact NH2-O 3.45Å; N520-G523 VanDerWaalsContact OD1-C 3.31Å; N520-G523 VanDerWaalsContact OD1-CA 3.25Å; N520-G523 WeakPolarHBondContact OD1-CA 3.4Å; N520-G523 PolarHBondContact OD1-N 3.22Å
524	S	75.4	Confident	82.8	Confident	48 Å²	48	43.2 Å²	43.2	34%	0.336	25%	0.246	S	C	.	.	S	Bend	trans	-91.1	-19.6	-164.9	56.5	0	0	0	0	114.1	R446 N520 V522	R446-S524 WeakPolarHBondContact CD-O 3.44Å; N520-S524 PolarHBondContact OD1-N 2.87Å; V522-S524 PolarHBondContact O-N 3.2Å
525	I	86.9	Confident	83.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-126.7	-6.2	177.1	54.5	167.8	0	0	0	113.6	G447 V496 L499 K500 L516 N520	G447-I525 WeakPolarHBondContact CA-O 3.33Å; V496-I525 HydrophobicContact CG1-CG2 4.14Å; V496-I525 HydrophobicContact CG2-CD1 4.22Å; L499-I525 HydrophobicContact CB-CB 3.98Å; L499-I525 HydrophobicContact CB-CG2 4.16Å; K500-I525 HydrophobicContact CG-CG2 4.31Å; L516-I525 HydrophobicContact CB-CD1 4.42Å; L516-I525 HydrophobicContact CD2-CD1 4.22Å; N520-I525 HydrophobicContact CB-CG1 4.2Å; N520-I525 PolarHBondContact OD1-N 2.99Å
526	F	87.1	Confident	83.5	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.035	23%	0.23	C	C	.	.			trans	-129.5	124.9	171.8	-65.4	-76.4	0	0	0	109.9	P448 I451 L506 L513 L516 L517 N520 F561	P448-F526 HydrophobicContact CG-CD1 4.21Å; P448-F526 HydrophobicContact CG-CE1 4.09Å; I451-F526 HydrophobicContact CD1-CD1 4.04Å; I451-F526 HydrophobicContact CD1-CE1 3.79Å; I451-F526 HydrophobicContact CG1-CE1 4.46Å; L506-F526 HydrophobicContact CD2-CE1 3.88Å; L506-F526 HydrophobicContact CD2-CZ 4.01Å; L513-F526 HydrophobicContact CD1-CE1 4.48Å; L513-F526 HydrophobicContact CD1-CZ 4.04Å; L516-F526 HydrophobicContact CB-CE2 3.9Å; L516-F526 HydrophobicContact CB-CZ 3.96Å; L516-F526 HydrophobicContact CD1-CZ 4.43Å; L517-F526 HydrophobicContact CD2-CD2 3.87Å; L517-F526 HydrophobicContact CD2-CE1 4.43Å; L517-F526 HydrophobicContact CD2-CE2 3.64Å; L517-F526 HydrophobicContact CD2-CG 4.38Å; L517-F526 HydrophobicContact CD2-CZ 3.94Å; L517-F526 HydrophobicContact CG-CE2 4.43Å; N520-F526 HydrophobicContact CB-CD2 4.4Å; F526-F561 HydrophobicContact CD1-CZ 4.45Å
527	D	87.4	Confident	83.7	Confident	45 Å²	45	39.8 Å²	39.8	24%	0.241	23%	0.23	C	C	.	.			trans	-104.5	111.5	169.7	170.6	-0.3	0	0	0	108.5	R441 R446 Q529 A530 V531	R441-D527 IonicContact NH2-OD2 2.65Å; R446-D527 HydrophobicContact CG-CB 4.42Å; D527-Q529 PolarHBondContact O-N 2.78Å; D527-Q529 PolarHBondContact OD1-N 2.89Å; D527-A530 HydrophobicContact CB-CB 3.75Å; D527-A530 PolarHBondContact O-N 3.14Å; D527-A530 PolarHBondContact OD1-N 2.76Å; D527-A530 WeakPolarHBondContact OD2-CB 3.4Å; D527-V531 PolarHBondContact O-N 2.63Å; D527-V531 VanDerWaalsContact O-N 3.16Å
528	A	85.1	Confident	83.9	Confident	42 Å²	42	40.1 Å²	40.1	35%	0.347	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.4	-176.1	0	0	0	0	0	114.4	M560	A528-M560 WeakPolarHBondContact CB-O 3.2Å
529	Q	87.6	Confident	84.4	Confident	81 Å²	81	35.5 Å²	35.5	38%	0.379	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.3	173.2	-63.8	-61.1	-60	0	0	112.3	D527 K532	D527-Q529 PolarHBondContact O-N 2.78Å; D527-Q529 PolarHBondContact OD1-N 2.89Å; Q529-K532 PolarHBondContact O-NZ 3.01Å
530	A	89.5	Confident	84.9	Confident	9 Å²	9	30.5 Å²	30.5	7%	0.074	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-36.8	174.7	0	0	0	0	0	113.6	D527 K532	D527-A530 HydrophobicContact CB-CB 3.75Å; D527-A530 PolarHBondContact O-N 3.14Å; D527-A530 PolarHBondContact OD1-N 2.76Å; D527-A530 WeakPolarHBondContact OD2-CB 3.4Å; A530-K532 WeakPolarHBondContact O-CG 3.19Å; A530-K532 PolarHBondContact O-N 3.17Å
531	V	92.7	Very high	85.7	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	18%	0.179	C	C	.	.			trans	-65.8	106.4	176.3	179	0	0	0	0	109.3	P448 T449 I451 D527 I534 F561	P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 3.32Å; T449-V531 CarbonylContact O-C 3.31Å; T449-V531 WeakPolarHBondContact O-CA 3.5Å; I451-V531 HydrophobicContact CD1-CG1 4.25Å; I451-V531 HydrophobicContact CD1-CG2 4.19Å; I451-V531 HydrophobicContact CG1-CG1 4.28Å; I451-V531 HydrophobicContact CG1-CG2 4.43Å; D527-V531 PolarHBondContact O-N 2.63Å; D527-V531 VanDerWaalsContact O-N 3.16Å; V531-I534 HydrophobicContact CG1-CD1 4.2Å; V531-I534 HydrophobicContact CG1-CG1 3.82Å; V531-F561 HydrophobicContact CB-CD1 3.95Å; V531-F561 HydrophobicContact CB-CE1 3.88Å; V531-F561 HydrophobicContact CG1-CD1 4.15Å; V531-F561 HydrophobicContact CG1-CE1 4.16Å; V531-F561 HydrophobicContact CG2-CD1 4.26Å; V531-F561 HydrophobicContact CG2-CE1 3.65Å; V531-F561 HydrophobicContact CG2-CZ 4.42Å
532	K	93.4	Very high	87.3	Confident	84 Å²	84	24.3 Å²	24.3	37%	0.365	15%	0.145	S	C	.	.			trans	-93.6	-18.2	179.2	-56.8	-47	-172.3	-175.5	0	113.2	T449 Q529 A530 C568 Q569	T449-K532 HydrophobicContact CG2-CG 4.2Å; T449-K532 PolarHBondContact O-N 2.86Å; Q529-K532 PolarHBondContact O-NZ 3.01Å; A530-K532 WeakPolarHBondContact O-CG 3.19Å; A530-K532 PolarHBondContact O-N 3.17Å; K532-C568 CarbonylContact O-C 3.57Å; K532-C568 WeakPolarHBondContact O-CA 3.3Å; K532-Q569 PolarHBondContact O-N 3.1Å
533	C	94.7	Very high	88.8	Confident	10 Å²	10	19 Å²	19	7%	0.068	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.9	-174.5	-171.8	0	0	0	0	111.8	C450 I451 Q569 L571	C450-C533 WeakPolarHBondContact CA-O 3.48Å; C450-C533 HydrophobicContact CB-CB 4.28Å; I451-C533 PolarHBondContact N-O 3.03Å; C533-Q569 CarbonylContact C-O 3.52Å; C533-Q569 WeakPolarHBondContact CA-O 3.07Å; C533-L571 WeakPolarHBondContact SG-CD1 3.45Å
534	I	96.7	Very high	89.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.1	168.2	-59.7	-177.7	0	0	0	108.2	I451 V531 L536 L557 F561 L563 Q569 L570 L571	I451-I534 HydrophobicContact CB-CG1 4.28Å; I451-I534 CarbonylContact O-C 3.56Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.48Å; V531-I534 HydrophobicContact CG1-CD1 4.2Å; V531-I534 HydrophobicContact CG1-CG1 3.82Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; I534-L557 HydrophobicContact CD1-CD2 3.83Å; I534-L557 HydrophobicContact CG2-CD1 4.48Å; I534-L557 HydrophobicContact CG2-CD2 4.5Å; I534-F561 HydrophobicContact CD1-CB 4.26Å; I534-F561 HydrophobicContact CD1-CD1 4.46Å; I534-F561 HydrophobicContact CD1-CD2 3.48Å; I534-F561 VanDerWaalsContact CD1-CD2 3.48Å; I534-F561 HydrophobicContact CD1-CE2 3.89Å; I534-F561 HydrophobicContact CD1-CG 3.81Å; I534-L563 HydrophobicContact CD1-CD2 4.37Å; I534-Q569 PolarHBondContact N-O 3.43Å; I534-L570 HydrophobicContact CB-CD1 4.04Å; I534-L570 HydrophobicContact CG2-CD1 4.05Å; I534-L571 PolarHBondContact O-N 3.07Å
535	A	97.6	Very high	89.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.3	177.7	0	0	0	0	0	111	Y426 I451 F452 V453 L571	Y426-A535 HydrophobicContact CE2-CB 4.13Å; I451-A535 PolarHBondContact O-N 3.41Å; F452-A535 HydrophobicContact CD1-CB 4.42Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.73Å; F452-A535 HydrophobicContact CG-CB 3.94Å; F452-A535 HydrophobicContact CZ-CB 4.21Å; V453-A535 PolarHBondContact N-O 3.01Å; A535-L571 CarbonylContact C-O 3.56Å; A535-L571 WeakPolarHBondContact CA-O 3.33Å; A535-L571 HydrophobicContact CB-CB 4.2Å; A535-L571 HydrophobicContact CB-CD1 4.38Å
536	L	97.4	Very high	89.4	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	86.7	176.5	-55.2	-179.4	0	0	0	108.8	V453 I534 L539 M542 L554 L557 L570 L571 V572 S573	V453-L536 HydrophobicContact CB-CD2 3.87Å; V453-L536 HydrophobicContact CG2-CD2 3.84Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; L536-L539 HydrophobicContact CD1-CD1 4.46Å; L536-M542 HydrophobicContact CB-CE 4.08Å; L536-L554 HydrophobicContact CD1-CD2 3.75Å; L536-L557 HydrophobicContact CD1-CD1 4.3Å; L536-L570 HydrophobicContact CD1-CD1 4.28Å; L536-L570 HydrophobicContact CG-CD1 4.34Å; L536-L571 PolarHBondContact N-O 3.09Å; L536-V572 HydrophobicContact CB-CG2 4.46Å; L536-V572 HydrophobicContact CD1-CG2 4.41Å; L536-S573 PolarHBondContact O-N 2.9Å
537	D	95.8	Very high	89.1	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	130.4	-175.5	-161.2	21.8	0	0	0	112.5	T423 Y426 F452 V453 P455 M542 S573	T423-D537 WeakPolarHBondContact CB-OD2 3.37Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.34Å; T423-D537 PolarHBondContact OG1-OD2 3.5Å; Y426-D537 VanDerWaalsContact OH-CB 3.27Å; Y426-D537 WeakPolarHBondContact OH-CB 3.47Å; Y426-D537 PolarHBondContact OH-OD1 3.14Å; F452-D537 HydrophobicContact CE1-CB 3.71Å; F452-D537 HydrophobicContact CZ-CB 4Å; V453-D537 PolarHBondContact O-N 2.93Å; P455-D537 WeakPolarHBondContact CD-O 3.37Å; D537-M542 WeakPolarHBondContact O-CE 3.43Å; D537-S573 WeakPolarHBondContact OD1-CB 3Å; D537-S573 PolarHBondContact OD1-OG 3.07Å
538	N	92.4	Very high	88.8	Confident	13 Å²	13	28.7 Å²	28.7	7%	0.07	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	52.2	-173.3	-57.8	-57.8	0	0	0	113.3	K422 P455 Q459 N540 D541 M542 S573	K422-N538 VanDerWaalsContact CE-OD1 3.32Å; K422-N538 WeakPolarHBondContact CE-OD1 3.46Å; P455-N538 HydrophobicContact CG-CB 3.89Å; Q459-N538 PolarHBondContact OE1-ND2 3.5Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.08Å; N538-N540 PolarHBondContact O-N 3.34Å; N538-N540 VanDerWaalsContact O-N 3.07Å; N538-D541 HydrophobicContact CB-CB 4.17Å; N538-D541 WeakPolarHBondContact O-CA 3.41Å; N538-D541 WeakPolarHBondContact O-CB 3.05Å; N538-D541 PolarHBondContact O-N 2.98Å; N538-M542 PolarHBondContact O-N 3.24Å; N538-S573 CarbonylContact C-O 3.32Å; N538-S573 WeakPolarHBondContact CA-O 3.16Å; N538-S573 PolarHBondContact N-O 2.95Å; N538-S573 PolarHBondContact N-OG 3.4Å
539	L	93.8	Very high	88.9	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-49.1	-35.8	179	-179.6	65.7	0	0	0	113.9	L536 D541 M542 V543 T550 V572 S573 L581 M582 I586	L536-L539 HydrophobicContact CD1-CD1 4.46Å; L539-D541 VanDerWaalsContact C-N 3.3Å; L539-D541 PolarHBondContact O-N 3.44Å; L539-M542 HydrophobicContact CD1-SD 4.03Å; L539-M542 WeakPolarHBondContact O-CB 3.35Å; L539-M542 PolarHBondContact O-N 2.88Å; L539-V543 HydrophobicContact CD1-CG2 4.38Å; L539-V543 WeakPolarHBondContact O-CG2 3.34Å; L539-V543 PolarHBondContact O-N 3.27Å; L539-T550 HydrophobicContact CD1-CG2 3.78Å; L539-V572 HydrophobicContact CB-CG1 4.14Å; L539-V572 HydrophobicContact CD2-CG1 3.8Å; L539-S573 PolarHBondContact N-O 3.17Å; L539-L581 HydrophobicContact CD2-CD2 4Å; L539-L581 HydrophobicContact CD2-CG 4.34Å; L539-L581 HydrophobicContact CG-CD2 4.17Å; L539-M582 HydrophobicContact CD2-CE 4.33Å; L539-M582 HydrophobicContact CD2-SD 4.41Å; L539-I586 HydrophobicContact CD2-CD1 3.56Å; L539-I586 HydrophobicContact CD2-CG1 3.74Å
540	N	88.7	Confident	89.1	Confident	5 Å²	5	25.1 Å²	25.1	3%	0.027	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-30.3	175.4	-50.7	95.6	0	0	0	113.3	N538 R544 G574 R575 I576	N538-N540 PolarHBondContact O-N 3.34Å; N538-N540 VanDerWaalsContact O-N 3.07Å; N540-R544 WeakPolarHBondContact O-CB 3.42Å; N540-R544 PolarHBondContact O-N 3.48Å; N540-G574 WeakPolarHBondContact OD1-CA 3.44Å; N540-R575 PolarHBondContact OD1-N 2.92Å; N540-I576 HydrophobicContact CB-CG1 4.08Å; N540-I576 VanDerWaalsContact CG-O 3.32Å; N540-I576 WeakPolarHBondContact ND2-CG1 3.48Å; N540-I576 PolarHBondContact ND2-O 3.46Å; N540-I576 PolarHBondContact OD1-N 2.95Å; N540-I576 PolarHBondContact OD1-O 3.18Å
541	D	86.1	Confident	89.1	Confident	2 Å²	2	27 Å²	27	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-71.5	-38.2	172.5	-72.1	-30.8	0	0	0	110.1	P455 N538 L539 R544 V545 R575	P455-D541 HydrophobicContact CB-CB 3.67Å; P455-D541 HydrophobicContact CG-CB 3.49Å; P455-D541 VanDerWaalsContact CG-CB 3.49Å; N538-D541 HydrophobicContact CB-CB 4.17Å; N538-D541 WeakPolarHBondContact O-CA 3.41Å; N538-D541 WeakPolarHBondContact O-CB 3.05Å; N538-D541 PolarHBondContact O-N 2.98Å; L539-D541 VanDerWaalsContact C-N 3.3Å; L539-D541 PolarHBondContact O-N 3.44Å; D541-R544 PolarHBondContact O-N 2.93Å; D541-R544 IonicContact OD1-CZ 3.61Å; D541-R544 IonicContact OD1-NH1 2.91Å; D541-R544 PolarHBondContact OD1-NH1 3.06Å; D541-R544 IonicContact OD1-NH2 3.16Å; D541-R544 PolarHBondContact OD1-NH2 2.75Å; D541-V545 WeakPolarHBondContact O-CG2 3.29Å; D541-V545 PolarHBondContact O-N 2.97Å; D541-V545 VanDerWaalsContact O-N 3.09Å; D541-R575 VanDerWaalsContact CG-NE 3.3Å; D541-R575 IonicContact OD1-CZ 2.88Å; D541-R575 IonicContact OD1-NE 3.42Å; D541-R575 PolarHBondContact OD1-NE 3.15Å; D541-R575 IonicContact OD1-NH2 3.02Å; D541-R575 PolarHBondContact OD1-NH2 3.26Å; D541-R575 IonicContact OD2-CZ 3.66Å; D541-R575 IonicContact OD2-NE 3.87Å; D541-R575 PolarHBondContact OD2-NE 2.84Å; D541-R575 IonicContact OD2-NH2 4Å; D541-R575 PolarHBondContact OD2-NH2 3.35Å
542	M	89.2	Confident	89	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-50.8	172.3	-54.4	-176.7	-165.3	0	0	111.2	V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550	V453-M542 HydrophobicContact CB-CE 4.02Å; V453-M542 HydrophobicContact CG1-CE 3.91Å; V453-M542 HydrophobicContact CG1-SD 4.01Å; V453-M542 WeakPolarHBondContact O-CE 3.29Å; P455-M542 HydrophobicContact CB-CG 4.25Å; P455-M542 HydrophobicContact CG-CG 4.1Å; V510-M542 HydrophobicContact CG2-CB 4.01Å; V510-M542 HydrophobicContact CG2-CG 4.03Å; V510-M542 HydrophobicContact CG2-SD 3.58Å; V510-M542 VanDerWaalsContact CG2-SD 3.58Å; L536-M542 HydrophobicContact CB-CE 4.08Å; D537-M542 WeakPolarHBondContact O-CE 3.43Å; N538-M542 PolarHBondContact O-N 3.24Å; L539-M542 HydrophobicContact CD1-SD 4.03Å; L539-M542 WeakPolarHBondContact O-CB 3.35Å; L539-M542 PolarHBondContact O-N 2.88Å; M542-R544 PolarHBondContact O-N 2.94Å; M542-V545 PolarHBondContact O-N 3.48Å; M542-V545 VanDerWaalsContact O-N 3.16Å; M542-L546 CarbonylContact O-C 3.59Å; M542-L546 PolarHBondContact O-N 3.3Å; M542-T550 HydrophobicContact CB-CG2 4.14Å; M542-T550 PolarHBondContact O-OG1 2.74Å
543	V	86	Confident	89	Confident	19 Å²	19	28 Å²	28	12%	0.115	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-21.4	179	175.6	0	0	0	0	112.6	L539 P547 T550 L581	L539-V543 HydrophobicContact CD1-CG2 4.38Å; L539-V543 WeakPolarHBondContact O-CG2 3.34Å; L539-V543 PolarHBondContact O-N 3.27Å; V543-P547 HydrophobicContact CG1-CB 4.32Å; V543-P547 WeakPolarHBondContact O-CA 3.36Å; V543-P547 VanDerWaalsContact O-CB 3.23Å; V543-P547 WeakPolarHBondContact O-CB 3.46Å; V543-P547 VanDerWaalsContact O-CD 3.3Å; V543-P547 WeakPolarHBondContact O-CD 3.24Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; V543-L581 HydrophobicContact CG2-CD1 4.18Å; V543-L581 HydrophobicContact CG2-CD2 3.83Å
544	R	77.7	Confident	88.9	Confident	134 Å²	134	27.8 Å²	27.8	51%	0.506	14%	0.137	S	C	.	.	H	α-helix	trans	-78.5	-33.5	172.1	-173.1	-179.6	64.4	-103.8	-8.4	112.9	N540 D541 M542 P965	N540-R544 WeakPolarHBondContact O-CB 3.42Å; N540-R544 PolarHBondContact O-N 3.48Å; D541-R544 PolarHBondContact O-N 2.93Å; D541-R544 IonicContact OD1-CZ 3.61Å; D541-R544 IonicContact OD1-NH1 2.91Å; D541-R544 PolarHBondContact OD1-NH1 3.06Å; D541-R544 IonicContact OD1-NH2 3.16Å; D541-R544 PolarHBondContact OD1-NH2 2.75Å; M542-R544 PolarHBondContact O-N 2.94Å; R544-P965 WeakPolarHBondContact O-CB 2.98Å
545	V	76.5	Confident	88.6	Confident	65 Å²	65	33.1 Å²	33.1	39%	0.394	16%	0.162	S	C	.	.	H	α-helix	trans	-95.1	-33.4	-174	-178.5	0	0	0	0	112.1	D541 M542	D541-V545 WeakPolarHBondContact O-CG2 3.29Å; D541-V545 PolarHBondContact O-N 2.97Å; D541-V545 VanDerWaalsContact O-N 3.09Å; M542-V545 PolarHBondContact O-N 3.48Å; M542-V545 VanDerWaalsContact O-N 3.16Å
546	L	81.3	Confident	88.3	Confident	42 Å²	42	37 Å²	37	22%	0.22	18%	0.177	C	C	.	.			trans	-143.3	60.4	-177.7	-66.7	174.4	0	0	0	111	V510 D511 M542 N548 D549 T550	V510-L546 HydrophobicContact CB-CD1 4.34Å; D511-L546 HydrophobicContact CB-CD1 3.92Å; M542-L546 CarbonylContact O-C 3.59Å; M542-L546 PolarHBondContact O-N 3.3Å; L546-N548 PolarHBondContact O-N 2.79Å; L546-D549 HydrophobicContact CB-CB 4.43Å; L546-D549 PolarHBondContact O-N 3.48Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.15Å; L546-T550 PolarHBondContact O-N 3.02Å; L546-T550 PolarHBondContact O-OG1 3.05Å
547	P	81.7	Confident	88	Confident	31 Å²	31	37 Å²	37	20%	0.201	18%	0.177	C	C	.	.	H	α-helix	trans	-54.3	-53.4	-178.2	18.9	-30.3	0	0	0	112.5	V543 D549 T550 M551 D967	V543-P547 HydrophobicContact CG1-CB 4.32Å; V543-P547 WeakPolarHBondContact O-CA 3.36Å; V543-P547 VanDerWaalsContact O-CB 3.23Å; V543-P547 WeakPolarHBondContact O-CB 3.46Å; V543-P547 VanDerWaalsContact O-CD 3.3Å; V543-P547 WeakPolarHBondContact O-CD 3.24Å; P547-D549 PolarHBondContact O-N 3.29Å; P547-T550 PolarHBondContact O-N 3.22Å; P547-M551 WeakPolarHBondContact O-CG 3.38Å; P547-M551 PolarHBondContact O-N 3.5Å; P547-D967 VanDerWaalsContact CD-CG 3.42Å; P547-D967 VanDerWaalsContact CD-OD2 3.27Å; P547-D967 WeakPolarHBondContact CD-OD2 3.49Å; P547-D967 WeakPolarHBondContact CG-OD2 3.28Å
548	N	81.4	Confident	87.7	Confident	59 Å²	59	40.1 Å²	40.1	32%	0.316	20%	0.197	S	C	.	.	H	α-helix	trans	-60.2	-43.8	-175.5	-70.5	-71.9	0	0	0	112.7	L546 M551 K552 D967	L546-N548 PolarHBondContact O-N 2.79Å; N548-M551 PolarHBondContact O-N 3.37Å; N548-K552 WeakPolarHBondContact O-CG 3.45Å; N548-K552 PolarHBondContact O-N 3.36Å; N548-K552 VanDerWaalsContact O-N 3.11Å; N548-D967 PolarHBondContact ND2-OD2 2.78Å
549	D	86.8	Confident	87.5	Confident	47 Å²	47	45.4 Å²	45.4	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-76.9	-30.1	179.1	-68.5	-24.4	0	0	0	111.8	V510 L514 L546 P547 K552 L553	V510-D549 HydrophobicContact CG1-CB 4.18Å; L514-D549 HydrophobicContact CD1-CB 3.85Å; L514-D549 VanDerWaalsContact CD1-O 3.24Å; L514-D549 WeakPolarHBondContact CD1-O 3.45Å; L546-D549 HydrophobicContact CB-CB 4.43Å; L546-D549 PolarHBondContact O-N 3.48Å; P547-D549 PolarHBondContact O-N 3.29Å; D549-K552 PolarHBondContact O-N 3.03Å; D549-K552 WeakPolarHBondContact OD1-CE 3.46Å; D549-K552 IonicContact OD1-NZ 2.97Å; D549-K552 PolarHBondContact OD1-NZ 3.19Å; D549-L553 WeakPolarHBondContact O-CB 3.28Å; D549-L553 PolarHBondContact O-N 3.03Å
550	T	90.9	Very high	87.1	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-40.8	170.7	-52.9	0	0	0	0	111	L539 M542 V543 L546 P547 L553 L554	L539-T550 HydrophobicContact CD1-CG2 3.78Å; M542-T550 HydrophobicContact CB-CG2 4.14Å; M542-T550 PolarHBondContact O-OG1 2.74Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.15Å; L546-T550 PolarHBondContact O-N 3.02Å; L546-T550 PolarHBondContact O-OG1 3.05Å; P547-T550 PolarHBondContact O-N 3.22Å; T550-L553 PolarHBondContact O-N 2.73Å; T550-L554 HydrophobicContact CG2-CD1 4.47Å; T550-L554 WeakPolarHBondContact O-CG 3.37Å; T550-L554 PolarHBondContact O-N 3.35Å
551	M	90.1	Very high	87.1	Confident	48 Å²	48	47.5 Å²	47.5	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-42.7	175.9	-65.5	-40.3	-63	0	0	112.3	P547 N548 L553 L554 Q555 L581 H585	P547-M551 WeakPolarHBondContact O-CG 3.38Å; P547-M551 PolarHBondContact O-N 3.5Å; N548-M551 PolarHBondContact O-N 3.37Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 3.4Å; M551-L554 HydrophobicContact CE-CD1 4.46Å; M551-L554 PolarHBondContact O-N 3.23Å; M551-L554 HydrophobicContact SD-CD1 4.35Å; M551-Q555 WeakPolarHBondContact O-CG 3.02Å; M551-Q555 PolarHBondContact O-N 3.03Å; M551-L581 HydrophobicContact CE-CD1 4.32Å; M551-L581 HydrophobicContact SD-CD1 3.84Å; M551-H585 HydrophobicContact CE-CB 4.23Å; M551-H585 WeakPolarHBondContact CE-CD2 3.21Å; M551-H585 WeakPolarHBondContact CE-NE2 3.41Å
552	K	91	Very high	87.1	Confident	103 Å²	103	51.9 Å²	51.9	45%	0.448	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-44.4	172.4	-68.4	169.2	-159.8	163.7	0	111.5	L514 N548 D549 Q555 R556	L514-K552 HydrophobicContact CD1-CB 4.04Å; L514-K552 HydrophobicContact CD2-CB 4.46Å; N548-K552 WeakPolarHBondContact O-CG 3.45Å; N548-K552 PolarHBondContact O-N 3.36Å; N548-K552 VanDerWaalsContact O-N 3.11Å; D549-K552 PolarHBondContact O-N 3.03Å; D549-K552 WeakPolarHBondContact OD1-CE 3.46Å; D549-K552 IonicContact OD1-NZ 2.97Å; D549-K552 PolarHBondContact OD1-NZ 3.19Å; K552-Q555 PolarHBondContact O-N 3.22Å; K552-R556 WeakPolarHBondContact O-CB 3.27Å; K552-R556 VanDerWaalsContact O-CG 3.25Å; K552-R556 WeakPolarHBondContact O-CG 3.3Å; K552-R556 PolarHBondContact O-N 3.23Å
553	L	92.8	Very high	87	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-47.8	177.7	178.1	61	0	0	0	111.2	V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557	V510-L553 HydrophobicContact CB-CD2 4.34Å; V510-L553 HydrophobicContact CG1-CB 4.24Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.14Å; L513-L553 HydrophobicContact CD2-CD1 3.75Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.12Å; L514-L553 HydrophobicContact CD1-CB 4.39Å; L514-L553 HydrophobicContact CD2-CB 4.28Å; L514-L553 HydrophobicContact CD2-CD1 4.4Å; L514-L553 HydrophobicContact CG-CB 4.19Å; L517-L553 HydrophobicContact CD1-CD1 3.71Å; D549-L553 WeakPolarHBondContact O-CB 3.28Å; D549-L553 PolarHBondContact O-N 3.03Å; T550-L553 PolarHBondContact O-N 2.73Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 3.4Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.43Å; L553-R556 PolarHBondContact O-N 3.23Å; L553-L557 HydrophobicContact CD1-CD2 4.14Å; L553-L557 HydrophobicContact CD1-CG 4.27Å; L553-L557 HydrophobicContact CG-CG 4.43Å; L553-L557 WeakPolarHBondContact O-CG 3.45Å; L553-L557 PolarHBondContact O-N 2.86Å
554	L	93.1	Very high	86.7	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-31.5	178.5	-67.7	178.7	0	0	0	113.3	L536 T550 M551 L557 P558 L581 H585 I586	L536-L554 HydrophobicContact CD1-CD2 3.75Å; T550-L554 HydrophobicContact CG2-CD1 4.47Å; T550-L554 WeakPolarHBondContact O-CG 3.37Å; T550-L554 PolarHBondContact O-N 3.35Å; M551-L554 HydrophobicContact CE-CD1 4.46Å; M551-L554 PolarHBondContact O-N 3.23Å; M551-L554 HydrophobicContact SD-CD1 4.35Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L554-P558 VanDerWaalsContact O-CD 3.22Å; L554-P558 WeakPolarHBondContact O-CD 3.31Å; L554-L581 HydrophobicContact CD1-CD1 3.7Å; L554-H585 HydrophobicContact CD1-CB 4.21Å; L554-I586 HydrophobicContact CD1-CD1 3.82Å; L554-I586 HydrophobicContact CD2-CD1 3.53Å; L554-I586 HydrophobicContact CG-CD1 4.33Å
555	Q	91.4	Very high	86.3	Confident	113 Å²	113	51.2 Å²	51.2	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-70.7	-41.1	171.6	-70.7	168.1	-25.1	0	0	112.1	M551 K552 L553 P558	M551-Q555 WeakPolarHBondContact O-CG 3.02Å; M551-Q555 PolarHBondContact O-N 3.03Å; K552-Q555 PolarHBondContact O-N 3.22Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.43Å; Q555-P558 WeakPolarHBondContact O-CD 3.43Å; Q555-P558 WeakPolarHBondContact O-CG 3.14Å
556	R	89.9	Confident	86.2	Confident	82 Å²	82	54.6 Å²	54.6	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-71.1	-31	-179.6	-71.6	-66.7	-130.2	167.5	6.7	114.4	L514 N518 K552 L553 E559 M560	L514-R556 HydrophobicContact CD2-CG 4.3Å; N518-R556 PolarHBondContact OD1-NH2 2.91Å; K552-R556 WeakPolarHBondContact O-CB 3.27Å; K552-R556 VanDerWaalsContact O-CG 3.25Å; K552-R556 WeakPolarHBondContact O-CG 3.3Å; K552-R556 PolarHBondContact O-N 3.23Å; L553-R556 PolarHBondContact O-N 3.23Å; R556-E559 WeakPolarHBondContact CD-OE2 3.4Å; R556-E559 IonicContact CZ-OE2 2.69Å; R556-E559 IonicContact NE-OE2 3.52Å; R556-E559 IonicContact NH1-OE2 3.68Å; R556-E559 PolarHBondContact NH1-OE2 2.9Å; R556-E559 WeakPolarHBondContact O-CB 3.38Å; R556-E559 PolarHBondContact O-N 2.57Å; R556-M560 PolarHBondContact O-N 2.78Å
557	L	90.6	Very high	86.4	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-55.3	-51.1	-178	-73.7	-178.4	0	0	0	114	I534 L536 L553 L554 E559 M560 F561 L563	I534-L557 HydrophobicContact CD1-CD2 3.83Å; I534-L557 HydrophobicContact CG2-CD1 4.48Å; I534-L557 HydrophobicContact CG2-CD2 4.5Å; L536-L557 HydrophobicContact CD1-CD1 4.3Å; L553-L557 HydrophobicContact CD1-CD2 4.14Å; L553-L557 HydrophobicContact CD1-CG 4.27Å; L553-L557 HydrophobicContact CG-CG 4.43Å; L553-L557 WeakPolarHBondContact O-CG 3.45Å; L553-L557 PolarHBondContact O-N 2.86Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 2.63Å; L557-M560 PolarHBondContact O-N 2.96Å; L557-F561 HydrophobicContact CD2-CD2 3.99Å; L557-F561 HydrophobicContact CD2-CE2 4.08Å; L557-F561 WeakPolarHBondContact O-CD2 3.44Å; L557-F561 PolarHBondContact O-N 3.46Å; L557-L563 HydrophobicContact CB-CD1 4.25Å
558	P	89.6	Confident	86.8	Confident	65 Å²	65	55.4 Å²	55.4	42%	0.422	27%	0.272	S	S	.	.	H	α-helix	trans	-70.5	-20	176.6	27.5	-36.3	0	0	0	114.7	L554 Q555 M560 L589	L554-P558 VanDerWaalsContact O-CD 3.22Å; L554-P558 WeakPolarHBondContact O-CD 3.31Å; Q555-P558 WeakPolarHBondContact O-CD 3.43Å; Q555-P558 WeakPolarHBondContact O-CG 3.14Å; P558-M560 PolarHBondContact O-N 3.16Å; P558-L589 HydrophobicContact CB-CD2 3.97Å; P558-L589 HydrophobicContact CG-CD2 3.95Å
559	E	88.9	Confident	87.4	Confident	125 Å²	125	53 Å²	53	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-65.7	-30.9	171	-60.7	174.6	-172.1	0	0	111.5	R556 L557	R556-E559 WeakPolarHBondContact CD-OE2 3.4Å; R556-E559 IonicContact CZ-OE2 2.69Å; R556-E559 IonicContact NE-OE2 3.52Å; R556-E559 IonicContact NH1-OE2 3.68Å; R556-E559 PolarHBondContact NH1-OE2 2.9Å; R556-E559 WeakPolarHBondContact O-CB 3.38Å; R556-E559 PolarHBondContact O-N 2.57Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 2.63Å
560	M	84.6	Confident	87.8	Confident	41 Å²	41	50.8 Å²	50.8	20%	0.202	25%	0.247	C	C	.	.	H	α-helix	trans	-110.5	-23.1	-168.4	-63.4	-173.9	68.9	0	0	114.3	L517 A528 R556 L557 P558	L517-M560 HydrophobicContact CB-SD 4.13Å; L517-M560 HydrophobicContact CD1-SD 4.38Å; L517-M560 HydrophobicContact CD2-CE 3.6Å; L517-M560 HydrophobicContact CD2-SD 3.71Å; L517-M560 HydrophobicContact CG-SD 4.26Å; A528-M560 WeakPolarHBondContact CB-O 3.2Å; R556-M560 PolarHBondContact O-N 2.78Å; L557-M560 PolarHBondContact O-N 2.96Å; P558-M560 PolarHBondContact O-N 3.16Å
561	F	89	Confident	88.1	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.031	25%	0.247	C	C	.	.	S	Bend	trans	-133.7	138.3	-171.6	-54.9	-68.8	0	0	0	112.9	I451 F526 V531 I534 L557 L563	I451-F561 HydrophobicContact CD1-CE1 4.39Å; I451-F561 HydrophobicContact CD1-CE2 4.22Å; I451-F561 HydrophobicContact CD1-CZ 3.74Å; F526-F561 HydrophobicContact CD1-CZ 4.45Å; V531-F561 HydrophobicContact CB-CD1 3.95Å; V531-F561 HydrophobicContact CB-CE1 3.88Å; V531-F561 HydrophobicContact CG1-CD1 4.15Å; V531-F561 HydrophobicContact CG1-CE1 4.16Å; V531-F561 HydrophobicContact CG2-CD1 4.26Å; V531-F561 HydrophobicContact CG2-CE1 3.65Å; V531-F561 HydrophobicContact CG2-CZ 4.42Å; I534-F561 HydrophobicContact CD1-CB 4.26Å; I534-F561 HydrophobicContact CD1-CD1 4.46Å; I534-F561 HydrophobicContact CD1-CD2 3.48Å; I534-F561 VanDerWaalsContact CD1-CD2 3.48Å; I534-F561 HydrophobicContact CD1-CE2 3.89Å; I534-F561 HydrophobicContact CD1-CG 3.81Å; L557-F561 HydrophobicContact CD2-CD2 3.99Å; L557-F561 HydrophobicContact CD2-CE2 4.08Å; L557-F561 WeakPolarHBondContact O-CD2 3.44Å; L557-F561 PolarHBondContact O-N 3.46Å; F561-L563 HydrophobicContact CB-CD2 4.04Å; F561-L563 HydrophobicContact CB-CG 4.38Å; F561-L563 PolarHBondContact O-N 2.97Å
562	Q	87.6	Confident	88.4	Confident	95 Å²	95	48.5 Å²	48.5	44%	0.444	24%	0.236	S	C	.	.			trans	-81.5	85	177	-70.8	177.1	-12.2	0	0	110.3	T564 K567 C568	Q562-T564 PolarHBondContact O-N 3.21Å; Q562-K567 HydrophobicContact CB-CB 4.02Å; Q562-K567 HydrophobicContact CB-CG 4.26Å; Q562-K567 WeakPolarHBondContact O-CB 3.27Å; Q562-K567 VanDerWaalsContact OE1-CE 3.32Å; Q562-C568 WeakPolarHBondContact O-CB 3.28Å; Q562-C568 PolarHBondContact O-N 2.73Å; Q562-C568 VanDerWaalsContact O-N 3.09Å
563	L	87.2	Confident	88.7	Confident	14 Å²	14	43.6 Å²	43.6	7%	0.073	21%	0.214	C	C	.	.			trans	-76.4	64.2	-175.6	-58.2	177.4	0	0	0	112.6	I534 L557 F561 C568 L570 L589	I534-L563 HydrophobicContact CD1-CD2 4.37Å; L557-L563 HydrophobicContact CB-CD1 4.25Å; F561-L563 HydrophobicContact CB-CD2 4.04Å; F561-L563 HydrophobicContact CB-CG 4.38Å; F561-L563 PolarHBondContact O-N 2.97Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; L563-L570 HydrophobicContact CD1-CD2 4.46Å; L563-L589 HydrophobicContact CD1-CB 3.91Å; L563-L589 HydrophobicContact CD1-CD1 4.03Å; L563-L589 HydrophobicContact CD1-CD2 4.25Å; L563-L589 HydrophobicContact CD1-CG 4.29Å
564	T	78.6	Confident	88.7	Confident	67 Å²	67	43.5 Å²	43.5	41%	0.411	21%	0.214	S	C	.	.	S	Bend	trans	-131.4	161.2	178.5	64.7	0	0	0	0	111.4	Q562 N566 K567 C568	Q562-T564 PolarHBondContact O-N 3.21Å; T564-N566 PolarHBondContact O-N 3.17Å; T564-K567 PolarHBondContact O-N 3.38Å; T564-K567 VanDerWaalsContact O-N 3.08Å; T564-C568 PolarHBondContact O-N 3.22Å
565	Q	69.9	Low	88.4	Confident	62 Å²	62	46.5 Å²	46.5	29%	0.29	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	139.5	174	-160.1	-168.1	-40.9	0	0	110.6	K410 K567	K410-Q565 HydrophobicContact CG-CG 4.3Å; Q565-K567 PolarHBondContact O-N 3.1Å; Q565-K567 VanDerWaalsContact O-N 3.12Å
566	N	73.4	Confident	88.3	Confident	135 Å²	135	42.7 Å²	42.7	72%	0.722	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	5.6	-177.7	-48	-24.8	0	0	0	116	T564	T564-N566 PolarHBondContact O-N 3.17Å
567	K	85.6	Confident	88.3	Confident	89 Å²	89	39.1 Å²	39.1	39%	0.387	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-81.9	171	-74.3	-63.9	-161.8	175.1	0	111.1	Q562 T564 Q565	Q562-K567 HydrophobicContact CB-CB 4.02Å; Q562-K567 HydrophobicContact CB-CG 4.26Å; Q562-K567 WeakPolarHBondContact O-CB 3.27Å; Q562-K567 VanDerWaalsContact OE1-CE 3.32Å; T564-K567 PolarHBondContact O-N 3.38Å; T564-K567 VanDerWaalsContact O-N 3.08Å; Q565-K567 PolarHBondContact O-N 3.1Å; Q565-K567 VanDerWaalsContact O-N 3.12Å
568	C	91.2	Very high	88	Confident	1 Å²	1	40 Å²	40	1%	0.007	20%	0.199	C	C	.	.			trans	-128.7	113.5	174.7	-178.8	0	0	0	0	110.2	K532 Q562 L563 T564	K532-C568 CarbonylContact O-C 3.57Å; K532-C568 WeakPolarHBondContact O-CA 3.3Å; Q562-C568 WeakPolarHBondContact O-CB 3.28Å; Q562-C568 PolarHBondContact O-N 2.73Å; Q562-C568 VanDerWaalsContact O-N 3.09Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; T564-C568 PolarHBondContact O-N 3.22Å
569	Q	92.9	Very high	87.8	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.6	176	-173.2	176.2	13.9	0	0	110	V406 G409 K410 K532 C533 I534 L571	V406-Q569 PolarHBondContact O-NE2 2.95Å; G409-Q569 VanDerWaalsContact C-CD 3.45Å; G409-Q569 VanDerWaalsContact C-NE2 3.26Å; K410-Q569 PolarHBondContact O-NE2 3Å; K532-Q569 PolarHBondContact O-N 3.1Å; C533-Q569 CarbonylContact C-O 3.52Å; C533-Q569 WeakPolarHBondContact CA-O 3.07Å; I534-Q569 PolarHBondContact N-O 3.43Å; Q569-L571 HydrophobicContact CG-CD2 3.93Å; Q569-L571 HydrophobicContact CG-CG 4.36Å
570	L	95.8	Very high	87.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.1	173.6	-174.2	58.8	0	0	0	109.7	S411 V412 I534 L536 L563 V572 L589 M590	S411-L570 WeakPolarHBondContact CA-O 3.23Å; S411-L570 WeakPolarHBondContact CB-O 3.44Å; S411-L570 PolarHBondContact OG-N 3.45Å; S411-L570 PolarHBondContact OG-O 3.18Å; V412-L570 PolarHBondContact N-O 3.22Å; I534-L570 HydrophobicContact CB-CD1 4.04Å; I534-L570 HydrophobicContact CG2-CD1 4.05Å; L536-L570 HydrophobicContact CD1-CD1 4.28Å; L536-L570 HydrophobicContact CG-CD1 4.34Å; L563-L570 HydrophobicContact CD1-CD2 4.46Å; L570-V572 HydrophobicContact CD1-CG2 4.33Å; L570-V572 HydrophobicContact CD2-CG2 4.33Å; L570-V572 HydrophobicContact CG-CG2 3.93Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.31Å; L570-M590 HydrophobicContact CB-CE 4.43Å; L570-M590 HydrophobicContact CB-CG 4.21Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.19Å; L570-M590 HydrophobicContact CG-CE 4.36Å; L570-M590 HydrophobicContact CG-CG 4.23Å; L570-M590 HydrophobicContact CG-SD 4.45Å; L570-M590 WeakPolarHBondContact O-CE 3.47Å
571	L	96.9	Very high	87.6	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.6	-179.3	-53.8	171.6	0	0	0	108.1	V406 V412 Y426 V430 C533 I534 A535 L536 Q569	V406-L571 HydrophobicContact CG1-CD2 4Å; V406-L571 HydrophobicContact CG2-CD2 4.17Å; V412-L571 HydrophobicContact CG1-CD2 3.76Å; Y426-L571 HydrophobicContact CD1-CB 4.49Å; Y426-L571 HydrophobicContact CD2-CB 4.23Å; Y426-L571 HydrophobicContact CD2-CD1 3.7Å; Y426-L571 HydrophobicContact CE2-CB 4.48Å; Y426-L571 HydrophobicContact CG-CB 4.24Å; Y426-L571 HydrophobicContact CG-CD1 3.94Å; Y426-L571 HydrophobicContact CG-CG 4.49Å; V430-L571 HydrophobicContact CG2-CD1 3.35Å; C533-L571 WeakPolarHBondContact SG-CD1 3.45Å; I534-L571 PolarHBondContact O-N 3.07Å; A535-L571 CarbonylContact C-O 3.56Å; A535-L571 WeakPolarHBondContact CA-O 3.33Å; A535-L571 HydrophobicContact CB-CB 4.2Å; A535-L571 HydrophobicContact CB-CD1 4.38Å; L536-L571 PolarHBondContact N-O 3.09Å; Q569-L571 HydrophobicContact CG-CD2 3.93Å; Q569-L571 HydrophobicContact CG-CG 4.36Å
572	V	96.9	Very high	87.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.7	-176.1	-172.9	0	0	0	0	110	V412 L413 V414 L536 L539 L570 I586 M590	V412-V572 PolarHBondContact O-N 3.45Å; L413-V572 WeakPolarHBondContact CA-O 3.48Å; L413-V572 HydrophobicContact CD1-CB 3.74Å; L413-V572 HydrophobicContact CD1-CG1 3.61Å; V414-V572 PolarHBondContact N-O 3.34Å; L536-V572 HydrophobicContact CB-CG2 4.46Å; L536-V572 HydrophobicContact CD1-CG2 4.41Å; L539-V572 HydrophobicContact CB-CG1 4.14Å; L539-V572 HydrophobicContact CD2-CG1 3.8Å; L570-V572 HydrophobicContact CD1-CG2 4.33Å; L570-V572 HydrophobicContact CD2-CG2 4.33Å; L570-V572 HydrophobicContact CG-CG2 3.93Å; V572-I586 HydrophobicContact CB-CG2 4.46Å; V572-I586 HydrophobicContact CG1-CG2 4.36Å; V572-I586 HydrophobicContact CG2-CG2 3.99Å; V572-M590 HydrophobicContact CB-CE 4.44Å; V572-M590 HydrophobicContact CG2-CE 3.94Å; V572-M590 HydrophobicContact CG2-SD 4.03Å
573	S	95.9	Very high	87.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.3	178.4	147.1	0	0	0	0	109.8	V414 K422 L536 D537 N538 L539	V414-S573 CarbonylContact O-C 3.58Å; V414-S573 WeakPolarHBondContact O-CA 3.44Å; K422-S573 WeakPolarHBondContact CB-OG 3.05Å; K422-S573 WeakPolarHBondContact CD-OG 3.09Å; K422-S573 WeakPolarHBondContact CE-OG 3.43Å; L536-S573 PolarHBondContact O-N 2.9Å; D537-S573 WeakPolarHBondContact OD1-CB 3Å; D537-S573 PolarHBondContact OD1-OG 3.07Å; N538-S573 CarbonylContact C-O 3.32Å; N538-S573 WeakPolarHBondContact CA-O 3.16Å; N538-S573 PolarHBondContact N-O 2.95Å; N538-S573 PolarHBondContact N-OG 3.4Å; L539-S573 PolarHBondContact N-O 3.17Å
574	G	93.1	Very high	87.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.3	-175	0	0	0	0	0	112.9	V414 G416 K422 N540	V414-G574 PolarHBondContact O-N 3.1Å; G416-G574 PolarHBondContact N-O 3.07Å; G416-G574 VanDerWaalsContact O-O 3.05Å; K422-G574 WeakPolarHBondContact CD-O 3.19Å; K422-G574 WeakPolarHBondContact CE-O 3.32Å; K422-G574 PolarHBondContact NZ-O 2.91Å; N540-G574 WeakPolarHBondContact OD1-CA 3.44Å
575	R	88.1	Confident	88	Confident	69 Å²	69	36 Å²	36	26%	0.26	18%	0.176	S	C	.	.	S	Bend	trans	-83.5	-37	169	-65.6	-166.5	-170.5	-154	9.1	112.3	G416 N540 D541	G416-R575 CarbonylContact C-O 3.58Å; G416-R575 WeakPolarHBondContact O-CA 3.22Å; N540-R575 PolarHBondContact OD1-N 2.92Å; D541-R575 VanDerWaalsContact CG-NE 3.3Å; D541-R575 IonicContact OD1-CZ 2.88Å; D541-R575 IonicContact OD1-NE 3.42Å; D541-R575 PolarHBondContact OD1-NE 3.15Å; D541-R575 IonicContact OD1-NH2 3.02Å; D541-R575 PolarHBondContact OD1-NH2 3.26Å; D541-R575 IonicContact OD2-CZ 3.66Å; D541-R575 IonicContact OD2-NE 3.87Å; D541-R575 PolarHBondContact OD2-NE 2.84Å; D541-R575 IonicContact OD2-NH2 4Å; D541-R575 PolarHBondContact OD2-NH2 3.35Å
576	I	88.9	Confident	89.1	Confident	34 Å²	34	33.1 Å²	33.1	17%	0.174	16%	0.163	C	C	.	.	S	Bend	trans	-145.9	152.3	-169.2	52.2	179.9	0	0	0	110.6	N540 H578 E602 K762	N540-I576 HydrophobicContact CB-CG1 4.08Å; N540-I576 VanDerWaalsContact CG-O 3.32Å; N540-I576 WeakPolarHBondContact ND2-CG1 3.48Å; N540-I576 PolarHBondContact ND2-O 3.46Å; N540-I576 PolarHBondContact OD1-N 2.95Å; N540-I576 PolarHBondContact OD1-O 3.18Å; I576-H578 WeakPolarHBondContact CD1-NE2 3.39Å; I576-H578 PolarHBondContact O-N 3.43Å; I576-E602 VanDerWaalsContact CA-OE2 3.3Å; I576-E602 WeakPolarHBondContact CA-OE2 3.48Å; I576-K762 HydrophobicContact CD1-CB 4.29Å
577	W	88.9	Confident	89.9	Confident	6 Å²	6	28.4 Å²	28.4	2%	0.023	14%	0.137	C	C	.	.			trans	-83.4	108	176.5	-165.6	-87.8	0	0	0	110.7	L413 V415 M582 V583 L587 V595 F597 E602 Y606	L413-W577 HydrophobicContact CD2-CH2 3.5Å; L413-W577 VanDerWaalsContact CD2-CH2 3.5Å; L413-W577 HydrophobicContact CD2-CZ3 3.48Å; L413-W577 VanDerWaalsContact CD2-CZ3 3.48Å; L413-W577 HydrophobicContact CG-CZ3 4.11Å; V415-W577 HydrophobicContact CB-CE3 4.38Å; V415-W577 HydrophobicContact CG1-CB 4.46Å; V415-W577 HydrophobicContact CG2-CE3 3.8Å; V415-W577 HydrophobicContact CG2-CZ3 4.13Å; W577-M582 HydrophobicContact CD2-CB 4.21Å; W577-M582 HydrophobicContact CD2-CG 3.95Å; W577-M582 HydrophobicContact CE3-CG 4.2Å; W577-M582 HydrophobicContact CG-CG 4.5Å; W577-M582 HydrophobicContact CH2-CB 3.8Å; W577-M582 HydrophobicContact CH2-CG 4.18Å; W577-M582 HydrophobicContact CZ2-CB 3.28Å; W577-M582 HydrophobicContact CZ2-CG 3.91Å; W577-M582 HydrophobicContact CZ3-CB 4.43Å; W577-M582 HydrophobicContact CZ3-CG 4.32Å; W577-V583 HydrophobicContact CZ2-CG2 4.44Å; W577-L587 HydrophobicContact CH2-CD1 4.21Å; W577-L587 HydrophobicContact CZ2-CD1 4.15Å; W577-V595 HydrophobicContact CH2-CG1 4.05Å; W577-V595 HydrophobicContact CZ3-CG1 3.66Å; W577-F597 HydrophobicContact CB-CE1 4.15Å; W577-F597 AromaticContact CD2-CE1 3.92Å; W577-F597 HydrophobicContact CD2-CE1 3.92Å; W577-F597 AromaticContact CD2-CZ 3.79Å; W577-F597 HydrophobicContact CD2-CZ 3.79Å; W577-F597 AromaticContact CE3-CE1 3.44Å; W577-F597 HydrophobicContact CE3-CE1 3.44Å; W577-F597 VanDerWaalsContact CE3-CE1 3.44Å; W577-F597 HydrophobicContact CE3-CE2 4.27Å; W577-F597 AromaticContact CE3-CZ 3.23Å; W577-F597 HydrophobicContact CE3-CZ 3.23Å; W577-F597 HydrophobicContact CG-CE1 4.21Å; W577-F597 HydrophobicContact CG-CZ 4.45Å; W577-F597 HydrophobicContact CH2-CZ 4.32Å; W577-F597 HydrophobicContact CZ3-CE1 4.18Å; W577-F597 HydrophobicContact CZ3-CE2 4.19Å; W577-F597 AromaticContact CZ3-CZ 3.54Å; W577-F597 HydrophobicContact CZ3-CZ 3.54Å; W577-E602 WeakPolarHBondContact CA-OE1 3.41Å; W577-E602 HydrophobicContact CB-CG 4.2Å; W577-E602 WeakPolarHBondContact CB-OE1 3.09Å; W577-E602 VanDerWaalsContact N-CD 3.27Å; W577-E602 PolarHBondContact N-OE1 2.9Å; W577-E602 PolarHBondContact N-OE2 3.34Å; W577-Y606 AromaticContact CD1-CD2 3.43Å; W577-Y606 VanDerWaalsContact CD1-CD2 3.43Å; W577-Y606 AromaticContact CD1-CE2 3.69Å; W577-Y606 AromaticContact CD1-CG 3.73Å; W577-Y606 HydrophobicContact CD2-CD1 4.18Å; W577-Y606 HydrophobicContact CD2-CE1 4.1Å; W577-Y606 HydrophobicContact CD2-CG 4.38Å; W577-Y606 AromaticContact CE2-CE1 3.56Å; W577-Y606 AromaticContact CE2-CE2 3.68Å; W577-Y606 AromaticContact CE2-CZ 3.32Å; W577-Y606 HydrophobicContact CG-CD1 4.36Å; W577-Y606 HydrophobicContact CG-CD2 4.25Å; W577-Y606 HydrophobicContact CG-CG 4.11Å; W577-Y606 HydrophobicContact CH2-CE1 4.19Å; W577-Y606 AromaticContact CZ2-CE1 3.65Å; W577-Y606 HydrophobicContact CZ2-CE1 3.65Å; W577-Y606 HydrophobicContact CZ2-CE2 4.13Å; W577-Y606 AromaticContact CZ2-CZ 3.38Å; W577-Y606 WeakPolarHBondContact CZ2-OH 3.29Å; W577-Y606 AromaticContact NE1-CD2 3.31Å; W577-Y606 VanDerWaalsContact NE1-CD2 3.31Å; W577-Y606 AromaticContact NE1-CE1 3.78Å; W577-Y606 AromaticContact NE1-CE2 3.02Å; W577-Y606 AromaticContact NE1-CG 3.81Å; W577-Y606 AromaticContact NE1-CZ 3.22Å
578	H	85.6	Confident	90	Very high	21 Å²	21	28.3 Å²	28.3	10%	0.097	15%	0.146	C	C	.	.			trans	-92.9	98.9	168.2	-77.3	-179	0	0	0	108.6	I576 D580 L581 M582	I576-H578 WeakPolarHBondContact CD1-NE2 3.39Å; I576-H578 PolarHBondContact O-N 3.43Å; H578-D580 PolarHBondContact O-N 2.69Å; H578-L581 HydrophobicContact CB-CB 3.76Å; H578-L581 HydrophobicContact CB-CD2 4.09Å; H578-L581 PolarHBondContact O-N 2.78Å; H578-M582 WeakPolarHBondContact O-CG 3.5Å; H578-M582 PolarHBondContact O-N 3.39Å
579	T	83.8	Confident	90	Very high	38 Å²	38	29.4 Å²	29.4	23%	0.233	15%	0.152	C	C	.	.	H	α-helix	trans	-53.6	-50.2	-170.5	-54.8	0	0	0	0	113.8	V342 L581 M582 V583 Y606	V342-T579 HydrophobicContact CB-CG2 3.99Å; V342-T579 HydrophobicContact CG1-CG2 4.02Å; V342-T579 HydrophobicContact CG2-CG2 3.73Å; T579-L581 PolarHBondContact O-N 3.45Å; T579-M582 PolarHBondContact O-N 3.3Å; T579-V583 HydrophobicContact CG2-CG2 4.05Å; T579-V583 VanDerWaalsContact O-CB 3.28Å; T579-V583 WeakPolarHBondContact O-CB 3.4Å; T579-V583 WeakPolarHBondContact O-CG2 3.34Å; T579-V583 PolarHBondContact O-N 3.2Å; T579-Y606 HydrophobicContact CG2-CD2 4.44Å; T579-Y606 HydrophobicContact CG2-CE2 4.01Å
580	D	83	Confident	89.8	Confident	58 Å²	58	29.1 Å²	29.1	31%	0.31	15%	0.15	S	C	.	.	H	α-helix	trans	-59.1	-49.8	179.8	-30.9	-49.7	0	0	0	111.3	H578 M582 Q584 K764	H578-D580 PolarHBondContact O-N 2.69Å; D580-M582 PolarHBondContact O-N 2.95Å; D580-Q584 WeakPolarHBondContact O-CA 3.46Å; D580-Q584 WeakPolarHBondContact O-CB 3.39Å; D580-Q584 WeakPolarHBondContact O-CG 3.42Å; D580-Q584 PolarHBondContact O-N 2.92Å; D580-K764 IonicContact OD2-NZ 2.75Å; D580-K764 PolarHBondContact OD2-NZ 3.3Å
581	L	87.4	Confident	89	Confident	8 Å²	8	31.6 Å²	31.6	4%	0.042	17%	0.166	C	C	.	.	I	π-helix	trans	-58.1	-50.7	178.8	177.7	68	0	0	0	111.4	L539 V543 M551 L554 H578 T579 H585 I586	L539-L581 HydrophobicContact CD2-CD2 4Å; L539-L581 HydrophobicContact CD2-CG 4.34Å; L539-L581 HydrophobicContact CG-CD2 4.17Å; V543-L581 HydrophobicContact CG2-CD1 4.18Å; V543-L581 HydrophobicContact CG2-CD2 3.83Å; M551-L581 HydrophobicContact CE-CD1 4.32Å; M551-L581 HydrophobicContact SD-CD1 3.84Å; L554-L581 HydrophobicContact CD1-CD1 3.7Å; H578-L581 HydrophobicContact CB-CB 3.76Å; H578-L581 HydrophobicContact CB-CD2 4.09Å; H578-L581 PolarHBondContact O-N 2.78Å; T579-L581 PolarHBondContact O-N 3.45Å; L581-H585 WeakPolarHBondContact O-CB 3.31Å; L581-H585 PolarHBondContact O-N 2.83Å; L581-H585 VanDerWaalsContact O-N 3.16Å; L581-I586 PolarHBondContact O-N 3.09Å
582	M	89.5	Confident	88.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-71.6	-44.6	-173.9	-62.3	-59.1	179.2	0	0	111.5	L413 L539 W577 H578 T579 D580 I586 L587	L413-M582 HydrophobicContact CD1-CE 4.33Å; L413-M582 HydrophobicContact CD1-SD 3.99Å; L413-M582 HydrophobicContact CD2-SD 4.12Å; L539-M582 HydrophobicContact CD2-CE 4.33Å; L539-M582 HydrophobicContact CD2-SD 4.41Å; W577-M582 HydrophobicContact CD2-CB 4.21Å; W577-M582 HydrophobicContact CD2-CG 3.95Å; W577-M582 HydrophobicContact CE3-CG 4.2Å; W577-M582 HydrophobicContact CG-CG 4.5Å; W577-M582 HydrophobicContact CH2-CB 3.8Å; W577-M582 HydrophobicContact CH2-CG 4.18Å; W577-M582 HydrophobicContact CZ2-CB 3.28Å; W577-M582 HydrophobicContact CZ2-CG 3.91Å; W577-M582 HydrophobicContact CZ3-CB 4.43Å; W577-M582 HydrophobicContact CZ3-CG 4.32Å; H578-M582 WeakPolarHBondContact O-CG 3.5Å; H578-M582 PolarHBondContact O-N 3.39Å; T579-M582 PolarHBondContact O-N 3.3Å; D580-M582 PolarHBondContact O-N 2.95Å; M582-I586 PolarHBondContact O-N 2.9Å; M582-I586 HydrophobicContact SD-CB 4.33Å; M582-I586 HydrophobicContact SD-CG1 4.12Å; M582-I586 HydrophobicContact SD-CG2 4.44Å; M582-L587 WeakPolarHBondContact O-CB 3.48Å; M582-L587 WeakPolarHBondContact O-CG 3.43Å; M582-L587 PolarHBondContact O-N 3.14Å
583	V	85.9	Confident	88.1	Confident	43 Å²	43	33.4 Å²	33.4	26%	0.261	18%	0.176	S	C	.	.	I	π-helix	trans	-80.2	-37.2	-174.5	-179.7	0	0	0	0	112.5	V342 W577 T579 L587 P588 Y606	V342-V583 HydrophobicContact CG1-CG1 4.38Å; V342-V583 HydrophobicContact CG1-CG2 4.26Å; W577-V583 HydrophobicContact CZ2-CG2 4.44Å; T579-V583 HydrophobicContact CG2-CG2 4.05Å; T579-V583 VanDerWaalsContact O-CB 3.28Å; T579-V583 WeakPolarHBondContact O-CB 3.4Å; T579-V583 WeakPolarHBondContact O-CG2 3.34Å; T579-V583 PolarHBondContact O-N 3.2Å; V583-L587 HydrophobicContact CG2-CD1 4.27Å; V583-P588 WeakPolarHBondContact O-CD 3.45Å; V583-P588 WeakPolarHBondContact O-CG 3.35Å; V583-Y606 HydrophobicContact CG2-CE2 4.43Å; V583-Y606 WeakPolarHBondContact CG2-OH 3.26Å
584	Q	86	Confident	88	Confident	124 Å²	124	33.4 Å²	33.4	58%	0.579	18%	0.176	S	C	*	.	I	π-helix	trans	-90.4	-25.6	-176	-53.8	175.5	6.3	0	0	113.2	D580	D580-Q584 WeakPolarHBondContact O-CA 3.46Å; D580-Q584 WeakPolarHBondContact O-CB 3.39Å; D580-Q584 WeakPolarHBondContact O-CG 3.42Å; D580-Q584 PolarHBondContact O-N 2.92Å
585	H	88.9	Confident	88	Confident	59 Å²	59	33.5 Å²	33.5	27%	0.273	18%	0.177	S	C	.	.	I	π-helix	trans	-126.8	-17.7	-171.2	-55.9	-75.8	0	0	0	116	M551 L554 L581 L589	M551-H585 HydrophobicContact CE-CB 4.23Å; M551-H585 WeakPolarHBondContact CE-CD2 3.21Å; M551-H585 WeakPolarHBondContact CE-NE2 3.41Å; L554-H585 HydrophobicContact CD1-CB 4.21Å; L581-H585 WeakPolarHBondContact O-CB 3.31Å; L581-H585 PolarHBondContact O-N 2.83Å; L581-H585 VanDerWaalsContact O-N 3.16Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.3Å
586	I	92.7	Very high	88.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-108.3	-58	-177.9	-60.4	-62.7	0	0	0	112.1	L413 L539 L554 V572 L581 M582 P588 L589 M590	L413-I586 HydrophobicContact CD2-CG2 4.42Å; L539-I586 HydrophobicContact CD2-CD1 3.56Å; L539-I586 HydrophobicContact CD2-CG1 3.74Å; L554-I586 HydrophobicContact CD1-CD1 3.82Å; L554-I586 HydrophobicContact CD2-CD1 3.53Å; L554-I586 HydrophobicContact CG-CD1 4.33Å; V572-I586 HydrophobicContact CB-CG2 4.46Å; V572-I586 HydrophobicContact CG1-CG2 4.36Å; V572-I586 HydrophobicContact CG2-CG2 3.99Å; L581-I586 PolarHBondContact O-N 3.09Å; M582-I586 PolarHBondContact O-N 2.9Å; M582-I586 HydrophobicContact SD-CB 4.33Å; M582-I586 HydrophobicContact SD-CG1 4.12Å; M582-I586 HydrophobicContact SD-CG2 4.44Å; I586-P588 VanDerWaalsContact C-CD 3.41Å; I586-P588 VanDerWaalsContact C-N 3.34Å; I586-L589 WeakPolarHBondContact O-CA 3.27Å; I586-L589 WeakPolarHBondContact O-CB 3.32Å; I586-L589 PolarHBondContact O-N 3.45Å; I586-M590 HydrophobicContact CG2-SD 3.42Å; I586-M590 WeakPolarHBondContact CG2-SD 3.29Å; I586-M590 WeakPolarHBondContact O-CG 3.17Å
587	L	90.4	Very high	88.6	Confident	37 Å²	37	28.7 Å²	28.7	19%	0.194	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.3	-34.8	-179.2	-67.4	176	0	0	0	114.2	L413 W577 M582 V583 L589 M590 V593 V595	L413-L587 HydrophobicContact CD2-CD2 4.01Å; W577-L587 HydrophobicContact CH2-CD1 4.21Å; W577-L587 HydrophobicContact CZ2-CD1 4.15Å; M582-L587 WeakPolarHBondContact O-CB 3.48Å; M582-L587 WeakPolarHBondContact O-CG 3.43Å; M582-L587 PolarHBondContact O-N 3.14Å; V583-L587 HydrophobicContact CG2-CD1 4.27Å; L587-L589 PolarHBondContact O-N 2.89Å; L587-M590 PolarHBondContact O-N 3.28Å; L587-V593 HydrophobicContact CD2-CG1 3.96Å; L587-V593 HydrophobicContact CD2-CG2 4.49Å; L587-V595 HydrophobicContact CD2-CG2 4.01Å
588	P	89.1	Confident	88.7	Confident	87 Å²	87	31 Å²	31	57%	0.565	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-61.8	-22.5	173.2	-25.6	37	0	0	0	114.1	V583 I586 M590	V583-P588 WeakPolarHBondContact O-CD 3.45Å; V583-P588 WeakPolarHBondContact O-CG 3.35Å; I586-P588 VanDerWaalsContact C-CD 3.41Å; I586-P588 VanDerWaalsContact C-N 3.34Å; P588-M590 VanDerWaalsContact C-N 3.33Å
589	L	89.2	Confident	89	Confident	24 Å²	24	30.7 Å²	30.7	13%	0.126	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-90.1	5.9	177.3	-49.7	-177.2	0	0	0	112.8	P558 L563 L570 H585 I586 L587	P558-L589 HydrophobicContact CB-CD2 3.97Å; P558-L589 HydrophobicContact CG-CD2 3.95Å; L563-L589 HydrophobicContact CD1-CB 3.91Å; L563-L589 HydrophobicContact CD1-CD1 4.03Å; L563-L589 HydrophobicContact CD1-CD2 4.25Å; L563-L589 HydrophobicContact CD1-CG 4.29Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.31Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.3Å; I586-L589 WeakPolarHBondContact O-CA 3.27Å; I586-L589 WeakPolarHBondContact O-CB 3.32Å; I586-L589 PolarHBondContact O-N 3.45Å; L587-L589 PolarHBondContact O-N 2.89Å
590	M	90.1	Very high	89.4	Confident	3 Å²	3	29 Å²	29	2%	0.015	16%	0.159	C	C	.	.			trans	-140.6	66.9	-168.9	-51.7	174.7	84	0	0	112	V412 L413 L570 V572 I586 L587 P588 D592 V593	V412-M590 VanDerWaalsContact O-CE 3.27Å; V412-M590 WeakPolarHBondContact O-CE 3.36Å; L413-M590 HydrophobicContact CB-CE 4.23Å; L570-M590 HydrophobicContact CB-CE 4.43Å; L570-M590 HydrophobicContact CB-CG 4.21Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.19Å; L570-M590 HydrophobicContact CG-CE 4.36Å; L570-M590 HydrophobicContact CG-CG 4.23Å; L570-M590 HydrophobicContact CG-SD 4.45Å; L570-M590 WeakPolarHBondContact O-CE 3.47Å; V572-M590 HydrophobicContact CB-CE 4.44Å; V572-M590 HydrophobicContact CG2-CE 3.94Å; V572-M590 HydrophobicContact CG2-SD 4.03Å; I586-M590 HydrophobicContact CG2-SD 3.42Å; I586-M590 WeakPolarHBondContact CG2-SD 3.29Å; I586-M590 WeakPolarHBondContact O-CG 3.17Å; L587-M590 PolarHBondContact O-N 3.28Å; P588-M590 VanDerWaalsContact C-N 3.33Å; M590-D592 VanDerWaalsContact C-N 3.28Å; M590-D592 PolarHBondContact O-N 3.11Å; M590-V593 HydrophobicContact CB-CB 3.8Å; M590-V593 HydrophobicContact CB-CG2 4.24Å; M590-V593 HydrophobicContact CE-CG2 3.82Å; M590-V593 WeakPolarHBondContact O-CB 3.12Å; M590-V593 WeakPolarHBondContact O-CG1 3.47Å; M590-V593 PolarHBondContact O-N 2.99Å; M590-V593 HydrophobicContact SD-CG2 4.24Å
591	P	79.1	Confident	89.9	Confident	53 Å²	53	26.3 Å²	26.3	34%	0.344	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-39.4	-174.4	20.3	-32.6	0	0	0	113.8	R362	R362-P591 WeakPolarHBondContact CD-O 3.41Å; R362-P591 PolarHBondContact NE-O 3.43Å
592	D	82.6	Confident	90	Very high	33 Å²	33	26.2 Å²	26.2	18%	0.176	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	36.4	-176.5	-60.3	-75.5	0	0	0	113.1	H363 H405 M590	H363-D592 IonicContact CD2-OD1 2.9Å; H363-D592 IonicContact CE1-OD1 3.96Å; H363-D592 IonicContact NE2-OD1 3.68Å; H363-D592 PolarHBondContact NE2-OD1 2.91Å; H405-D592 PolarHBondContact CE1-O 3.08Å; H405-D592 PolarHBondContact NE2-O 3.02Å; M590-D592 VanDerWaalsContact C-N 3.28Å; M590-D592 PolarHBondContact O-N 3.11Å
593	V	91.6	Very high	90	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	14%	0.144	C	C	.	.			trans	-65.9	138.2	-177.8	66.1	0	0	0	0	113.5	W360 S411 L413 L587 M590 V595	W360-V593 HydrophobicContact CZ3-CG1 4.01Å; S411-V593 WeakPolarHBondContact O-CA 3.49Å; L413-V593 HydrophobicContact CB-CG2 3.95Å; L587-V593 HydrophobicContact CD2-CG1 3.96Å; L587-V593 HydrophobicContact CD2-CG2 4.49Å; M590-V593 HydrophobicContact CB-CB 3.8Å; M590-V593 HydrophobicContact CB-CG2 4.24Å; M590-V593 HydrophobicContact CE-CG2 3.82Å; M590-V593 WeakPolarHBondContact O-CB 3.12Å; M590-V593 WeakPolarHBondContact O-CG1 3.47Å; M590-V593 PolarHBondContact O-N 2.99Å; M590-V593 HydrophobicContact SD-CG2 4.24Å; V593-V595 HydrophobicContact CG1-CG2 3.95Å; V593-V595 HydrophobicContact CG2-CG2 3.87Å
594	L	94.1	Very high	90.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.1	153.1	169.8	66.6	0	0	0	108.1	W360 V365 F401 H405 S411 V412 L413 L596	W360-L594 CarbonylContact O-C 3.55Å; W360-L594 WeakPolarHBondContact O-CA 3.3Å; V365-L594 HydrophobicContact CG1-CD2 4.47Å; V365-L594 HydrophobicContact CG2-CD1 4.23Å; V365-L594 HydrophobicContact CG2-CD2 4.36Å; F401-L594 HydrophobicContact CB-CD2 4.06Å; F401-L594 WeakPolarHBondContact O-CD2 3.41Å; H405-L594 HydrophobicContact CB-CB 4.45Å; H405-L594 HydrophobicContact CB-CD2 3.65Å; H405-L594 WeakPolarHBondContact CD2-CB 3.37Å; H405-L594 VanDerWaalsContact NE2-CB 3.33Å; H405-L594 WeakPolarHBondContact NE2-CB 3.3Å; H405-L594 PolarHBondContact NE2-N 2.76Å; S411-L594 PolarHBondContact O-N 2.98Å; V412-L594 WeakPolarHBondContact CA-O 3.41Å; V412-L594 HydrophobicContact CG2-CB 4.21Å; V412-L594 HydrophobicContact CG2-CD2 4.25Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 VanDerWaalsContact CG2-O 3.32Å; V412-L594 WeakPolarHBondContact CG2-O 3.37Å; L413-L594 PolarHBondContact N-O 3.06Å; L594-L596 HydrophobicContact CD1-CD2 3.72Å; L594-L596 HydrophobicContact CD1-CG 4.35Å; L594-L596 HydrophobicContact CD2-CD1 4.17Å; L594-L596 HydrophobicContact CD2-CD2 4.06Å; L594-L596 HydrophobicContact CD2-CG 4.16Å; L594-L596 HydrophobicContact CG-CD1 4.48Å; L594-L596 HydrophobicContact CG-CD2 3.84Å; L594-L596 HydrophobicContact CG-CG 3.94Å
595	V	94.1	Very high	90.4	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.1	171.7	-173	0	0	0	0	108.3	G359 W360 L413 W577 L587 V593 F597	G359-V595 CarbonylContact C-O 3.53Å; G359-V595 VanDerWaalsContact CA-O 3.27Å; G359-V595 WeakPolarHBondContact CA-O 3.4Å; W360-V595 HydrophobicContact CE3-CG2 4.28Å; W360-V595 PolarHBondContact N-O 3Å; W360-V595 PolarHBondContact O-N 3.11Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.38Å; L413-V595 HydrophobicContact CD2-CG2 4.47Å; L413-V595 HydrophobicContact CG-CG1 4.41Å; L413-V595 CarbonylContact O-C 3.57Å; L413-V595 WeakPolarHBondContact O-CA 3.49Å; W577-V595 HydrophobicContact CH2-CG1 4.05Å; W577-V595 HydrophobicContact CZ3-CG1 3.66Å; L587-V595 HydrophobicContact CD2-CG2 4.01Å; V593-V595 HydrophobicContact CG1-CG2 3.95Å; V593-V595 HydrophobicContact CG2-CG2 3.87Å; V595-F597 HydrophobicContact CG1-CD2 4.13Å; V595-F597 HydrophobicContact CG1-CE2 3.54Å; V595-F597 HydrophobicContact CG1-CZ 4.22Å
596	L	94.4	Very high	90.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.7	177.4	-61.4	179.3	0	0	0	110.7	V357 V398 F401 A402 L413 V414 V415 L594	V357-L596 HydrophobicContact CG1-CB 4.31Å; V357-L596 HydrophobicContact CG1-CD2 3.94Å; V398-L596 HydrophobicContact CB-CD1 4.07Å; V398-L596 HydrophobicContact CG1-CB 4.29Å; V398-L596 VanDerWaalsContact O-CD1 3.31Å; V398-L596 WeakPolarHBondContact O-CD1 3.3Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.4Å; F401-L596 HydrophobicContact CG-CD2 4.21Å; A402-L596 HydrophobicContact CB-CD1 3.93Å; L413-L596 PolarHBondContact O-N 2.93Å; V414-L596 HydrophobicContact CG1-CB 4.38Å; V414-L596 HydrophobicContact CG2-CD1 4.3Å; V415-L596 PolarHBondContact N-O 3.44Å; L594-L596 HydrophobicContact CD1-CD2 3.72Å; L594-L596 HydrophobicContact CD1-CG 4.35Å; L594-L596 HydrophobicContact CD2-CD1 4.17Å; L594-L596 HydrophobicContact CD2-CD2 4.06Å; L594-L596 HydrophobicContact CD2-CG 4.16Å; L594-L596 HydrophobicContact CG-CD1 4.48Å; L594-L596 HydrophobicContact CG-CD2 3.84Å; L594-L596 HydrophobicContact CG-CG 3.94Å
597	F	93.4	Very high	89.6	Confident	3 Å²	3	17.7 Å²	17.7	1%	0.013	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.9	168.5	-63.4	-101.5	0	0	0	109.5	V357 L358 V415 W577 V595 D599 E602 A603 Y606	V357-F597 VanDerWaalsContact CA-O 3.3Å; V357-F597 WeakPolarHBondContact CA-O 3.41Å; L358-F597 HydrophobicContact CB-CB 4.34Å; L358-F597 HydrophobicContact CD2-CD2 4.44Å; L358-F597 PolarHBondContact N-O 3.18Å; L358-F597 PolarHBondContact O-N 3.47Å; V415-F597 HydrophobicContact CB-CD1 4.4Å; V415-F597 HydrophobicContact CG1-CD1 4.48Å; V415-F597 WeakPolarHBondContact O-CA 3.19Å; W577-F597 HydrophobicContact CB-CE1 4.15Å; W577-F597 AromaticContact CD2-CE1 3.92Å; W577-F597 HydrophobicContact CD2-CE1 3.92Å; W577-F597 AromaticContact CD2-CZ 3.79Å; W577-F597 HydrophobicContact CD2-CZ 3.79Å; W577-F597 AromaticContact CE3-CE1 3.44Å; W577-F597 HydrophobicContact CE3-CE1 3.44Å; W577-F597 VanDerWaalsContact CE3-CE1 3.44Å; W577-F597 HydrophobicContact CE3-CE2 4.27Å; W577-F597 AromaticContact CE3-CZ 3.23Å; W577-F597 HydrophobicContact CE3-CZ 3.23Å; W577-F597 HydrophobicContact CG-CE1 4.21Å; W577-F597 HydrophobicContact CG-CZ 4.45Å; W577-F597 HydrophobicContact CH2-CZ 4.32Å; W577-F597 HydrophobicContact CZ3-CE1 4.18Å; W577-F597 HydrophobicContact CZ3-CE2 4.19Å; W577-F597 AromaticContact CZ3-CZ 3.54Å; W577-F597 HydrophobicContact CZ3-CZ 3.54Å; V595-F597 HydrophobicContact CG1-CD2 4.13Å; V595-F597 HydrophobicContact CG1-CE2 3.54Å; V595-F597 HydrophobicContact CG1-CZ 4.22Å; F597-D599 VanDerWaalsContact C-N 3.32Å; F597-E602 HydrophobicContact CD1-CB 4.49Å; F597-E602 HydrophobicContact CD1-CG 3.75Å; F597-E602 HydrophobicContact CE1-CG 3.98Å; F597-A603 HydrophobicContact CB-CB 3.7Å; F597-A603 HydrophobicContact CD1-CB 3.99Å; F597-A603 HydrophobicContact CD2-CB 4.35Å; F597-A603 HydrophobicContact CG-CB 3.79Å; F597-Y606 HydrophobicContact CE1-CD1 4.05Å; F597-Y606 HydrophobicContact CE2-CD1 4.23Å; F597-Y606 HydrophobicContact CE2-CE1 4.42Å; F597-Y606 AromaticContact CZ-CD1 3.41Å; F597-Y606 HydrophobicContact CZ-CD1 3.41Å; F597-Y606 VanDerWaalsContact CZ-CD1 3.41Å; F597-Y606 AromaticContact CZ-CE1 3.77Å; F597-Y606 HydrophobicContact CZ-CE1 3.77Å; F597-Y606 HydrophobicContact CZ-CG 4.41Å
598	D	91.6	Very high	89.3	Confident	53 Å²	53	16.6 Å²	16.6	28%	0.283	10%	0.103	S	C	.	.	S	Bend	trans	-81.7	-17.2	169.2	-162.2	78.2	0	0	0	111.9	V398 V415 I420	V398-D598 HydrophobicContact CG1-CB 3.85Å; V415-D598 PolarHBondContact O-N 3.25Å; I420-D598 HydrophobicContact CD1-CB 3.49Å; I420-D598 VanDerWaalsContact CD1-CB 3.49Å; I420-D598 VanDerWaalsContact CG2-OD2 3.26Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.08Å
599	D	91.6	Very high	89.2	Confident	15 Å²	15	12.8 Å²	12.8	8%	0.08	8%	0.077	C	C	.	.			trans	-105	116.3	-177.2	-167.1	-49.5	0	0	0	111.5	F597 L601 E602 A603 K720	F597-D599 VanDerWaalsContact C-N 3.32Å; D599-L601 WeakPolarHBondContact OD1-CB 3.49Å; D599-L601 PolarHBondContact OD1-N 3.27Å; D599-E602 HydrophobicContact CB-CB 3.71Å; D599-E602 PolarHBondContact OD1-N 3.37Å; D599-E602 VanDerWaalsContact OD1-N 3.11Å; D599-A603 VanDerWaalsContact O-CB 3.26Å; D599-A603 WeakPolarHBondContact O-CB 3.41Å; D599-A603 PolarHBondContact O-N 3.49Å; D599-K720 WeakPolarHBondContact OD2-CD 3.44Å; D599-K720 VanDerWaalsContact OD2-CE 3.3Å; D599-K720 WeakPolarHBondContact OD2-CE 3.44Å; D599-K720 IonicContact OD2-NZ 3.63Å; D599-K720 PolarHBondContact OD2-NZ 2.87Å
600	A	91.9	Very high	89.2	Confident	4 Å²	4	13.6 Å²	13.6	3%	0.033	8%	0.08	C	C	.	.	H	α-helix	trans	-75.7	-25.7	-176	0	0	0	0	0	114.2	S604 F723 Y727	A600-S604 VanDerWaalsContact O-CB 3.29Å; A600-S604 WeakPolarHBondContact O-CB 3.36Å; A600-S604 PolarHBondContact O-N 2.65Å; A600-S604 VanDerWaalsContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 3.37Å; A600-F723 HydrophobicContact CB-CB 4.22Å; A600-F723 VanDerWaalsContact O-CB 3.26Å; A600-F723 WeakPolarHBondContact O-CB 3.46Å; A600-Y727 VanDerWaalsContact CA-OH 3.31Å; A600-Y727 WeakPolarHBondContact CA-OH 3.35Å; A600-Y727 HydrophobicContact CB-CE1 3.82Å; A600-Y727 VanDerWaalsContact CB-OH 3.25Å; A600-Y727 WeakPolarHBondContact CB-OH 3.2Å
601	L	93.4	Very high	89.4	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-72.5	-50.6	175.5	164.5	63.3	0	0	0	109.4	D599 A603 S604 V605 L611 W716 K720 F723 F759	D599-L601 WeakPolarHBondContact OD1-CB 3.49Å; D599-L601 PolarHBondContact OD1-N 3.27Å; L601-A603 PolarHBondContact O-N 2.66Å; L601-S604 PolarHBondContact O-N 3.47Å; L601-V605 HydrophobicContact CD1-CG2 3.78Å; L601-V605 WeakPolarHBondContact O-CG2 3.47Å; L601-V605 PolarHBondContact O-N 3.21Å; L601-L611 HydrophobicContact CD1-CD2 4.4Å; L601-W716 HydrophobicContact CD2-CH2 4.13Å; L601-W716 HydrophobicContact CD2-CZ2 4.04Å; L601-K720 HydrophobicContact CB-CB 3.99Å; L601-K720 HydrophobicContact CB-CD 4.21Å; L601-K720 HydrophobicContact CB-CG 3.87Å; L601-K720 HydrophobicContact CD2-CD 4.02Å; L601-K720 HydrophobicContact CD2-CG 3.81Å; L601-K720 HydrophobicContact CG-CG 4.5Å; L601-F723 HydrophobicContact CB-CD2 3.91Å; L601-F723 HydrophobicContact CB-CE2 4.33Å; L601-F723 HydrophobicContact CB-CG 4.14Å; L601-F723 HydrophobicContact CD1-CD1 3.94Å; L601-F723 HydrophobicContact CD1-CD2 3.99Å; L601-F723 HydrophobicContact CD1-CE1 3.63Å; L601-F723 HydrophobicContact CD1-CE2 3.69Å; L601-F723 HydrophobicContact CD1-CG 4.12Å; L601-F723 HydrophobicContact CD1-CZ 3.53Å; L601-F723 HydrophobicContact CG-CD2 4.49Å; L601-F723 HydrophobicContact CG-CE2 4.45Å; L601-F759 HydrophobicContact CD1-CE1 4.14Å; L601-F759 HydrophobicContact CD1-CE2 4.49Å; L601-F759 HydrophobicContact CD1-CZ 4Å; L601-F759 HydrophobicContact CD2-CD1 4.26Å; L601-F759 HydrophobicContact CD2-CD2 3.67Å; L601-F759 HydrophobicContact CD2-CE1 4.23Å; L601-F759 HydrophobicContact CD2-CE2 3.63Å; L601-F759 HydrophobicContact CD2-CG 4.01Å; L601-F759 HydrophobicContact CD2-CZ 3.94Å; L601-F759 HydrophobicContact CG-CD2 4.18Å; L601-F759 HydrophobicContact CG-CE1 4.1Å; L601-F759 HydrophobicContact CG-CE2 3.6Å; L601-F759 HydrophobicContact CG-CZ 3.57Å
602	E	91.1	Very high	90	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-49.3	-54.8	172.1	179.3	93.1	-115.1	0	0	111.4	V415 I576 W577 F597 D599 S604 V605 Y606 H763	V415-E602 HydrophobicContact CG1-CG 4.4Å; I576-E602 VanDerWaalsContact CA-OE2 3.3Å; I576-E602 WeakPolarHBondContact CA-OE2 3.48Å; W577-E602 WeakPolarHBondContact CA-OE1 3.41Å; W577-E602 HydrophobicContact CB-CG 4.2Å; W577-E602 WeakPolarHBondContact CB-OE1 3.09Å; W577-E602 VanDerWaalsContact N-CD 3.27Å; W577-E602 PolarHBondContact N-OE1 2.9Å; W577-E602 PolarHBondContact N-OE2 3.34Å; F597-E602 HydrophobicContact CD1-CB 4.49Å; F597-E602 HydrophobicContact CD1-CG 3.75Å; F597-E602 HydrophobicContact CE1-CG 3.98Å; D599-E602 HydrophobicContact CB-CB 3.71Å; D599-E602 PolarHBondContact OD1-N 3.37Å; D599-E602 VanDerWaalsContact OD1-N 3.11Å; E602-S604 VanDerWaalsContact C-N 3.29Å; E602-S604 PolarHBondContact O-N 3.05Å; E602-V605 PolarHBondContact O-N 3.03Å; E602-Y606 WeakPolarHBondContact O-CB 3.34Å; E602-Y606 PolarHBondContact O-N 2.76Å; E602-H763 IonicContact OE1-CE1 2.68Å; E602-H763 PolarHBondContact OE1-CE1 3.01Å; E602-H763 IonicContact OE1-ND1 2.82Å; E602-H763 PolarHBondContact OE1-ND1 3.43Å; E602-H763 IonicContact OE2-CE1 3.78Å; E602-H763 PolarHBondContact OE2-CE1 2.89Å
603	A	89.6	Confident	90.5	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-61.7	-34.7	-177.6	0	0	0	0	0	113.4	L358 F597 D599 L601 G607 Y727	L358-A603 HydrophobicContact CB-CB 4.2Å; L358-A603 HydrophobicContact CD2-CB 3.84Å; F597-A603 HydrophobicContact CB-CB 3.7Å; F597-A603 HydrophobicContact CD1-CB 3.99Å; F597-A603 HydrophobicContact CD2-CB 4.35Å; F597-A603 HydrophobicContact CG-CB 3.79Å; D599-A603 VanDerWaalsContact O-CB 3.26Å; D599-A603 WeakPolarHBondContact O-CB 3.41Å; D599-A603 PolarHBondContact O-N 3.49Å; L601-A603 PolarHBondContact O-N 2.66Å; A603-G607 PolarHBondContact O-N 2.63Å; A603-Y727 HydrophobicContact CB-CE1 4.07Å
604	S	89.9	Confident	90.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-77.7	-44.4	-179.4	-61.7	0	0	0	0	112	A600 L601 E602 G607 G608 V609 F723	A600-S604 VanDerWaalsContact O-CB 3.29Å; A600-S604 WeakPolarHBondContact O-CB 3.36Å; A600-S604 PolarHBondContact O-N 2.65Å; A600-S604 VanDerWaalsContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 3.37Å; L601-S604 PolarHBondContact O-N 3.47Å; E602-S604 VanDerWaalsContact C-N 3.29Å; E602-S604 PolarHBondContact O-N 3.05Å; S604-G607 CarbonylContact O-C 3.23Å; S604-G607 WeakPolarHBondContact O-CA 3.25Å; S604-G607 PolarHBondContact O-N 3.08Å; S604-G607 VanDerWaalsContact O-N 3.16Å; S604-G608 PolarHBondContact O-N 3.32Å; S604-V609 VanDerWaalsContact O-CB 3.27Å; S604-V609 WeakPolarHBondContact O-CB 3.46Å; S604-V609 WeakPolarHBondContact O-CG2 3.47Å; S604-V609 PolarHBondContact O-N 3.35Å; S604-F723 PolarHBondContact OG-O 3.46Å
605	V	89.2	Confident	90.5	Very high	21 Å²	21	16.7 Å²	16.7	13%	0.127	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-47	178.2	168.8	0	0	0	0	110.6	L601 E602 G607 G608 F759 L765	L601-V605 HydrophobicContact CD1-CG2 3.78Å; L601-V605 WeakPolarHBondContact O-CG2 3.47Å; L601-V605 PolarHBondContact O-N 3.21Å; E602-V605 PolarHBondContact O-N 3.03Å; V605-G607 PolarHBondContact O-N 2.98Å; V605-G608 PolarHBondContact O-N 3.12Å; V605-F759 HydrophobicContact CB-CE1 4.38Å; V605-F759 HydrophobicContact CB-CZ 4.21Å; V605-F759 HydrophobicContact CG1-CE1 4.26Å; V605-F759 HydrophobicContact CG1-CZ 4.4Å; V605-F759 HydrophobicContact CG2-CE1 3.97Å; V605-F759 HydrophobicContact CG2-CZ 4.06Å; V605-L765 HydrophobicContact CG1-CD1 4.12Å; V605-L765 HydrophobicContact CG1-CD2 3.97Å
606	Y	84.1	Confident	90.4	Very high	14 Å²	14	16.7 Å²	16.7	6%	0.055	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-35.3	171.9	172.8	-122.7	0	0	0	112.2	P344 F345 W577 T579 V583 F597 E602 G608	P344-Y606 HydrophobicContact CB-CE1 4.47Å; P344-Y606 WeakPolarHBondContact CB-OH 3.45Å; P344-Y606 HydrophobicContact CG-CE1 3.89Å; P344-Y606 HydrophobicContact CG-CE2 3.84Å; P344-Y606 WeakPolarHBondContact CG-OH 3.44Å; F345-Y606 HydrophobicContact CE2-CE1 4.46Å; F345-Y606 HydrophobicContact CZ-CD1 4.46Å; F345-Y606 AromaticContact CZ-CE1 3.96Å; F345-Y606 HydrophobicContact CZ-CE1 3.96Å; W577-Y606 AromaticContact CD1-CD2 3.43Å; W577-Y606 VanDerWaalsContact CD1-CD2 3.43Å; W577-Y606 AromaticContact CD1-CE2 3.69Å; W577-Y606 AromaticContact CD1-CG 3.73Å; W577-Y606 HydrophobicContact CD2-CD1 4.18Å; W577-Y606 HydrophobicContact CD2-CE1 4.1Å; W577-Y606 HydrophobicContact CD2-CG 4.38Å; W577-Y606 AromaticContact CE2-CE1 3.56Å; W577-Y606 AromaticContact CE2-CE2 3.68Å; W577-Y606 AromaticContact CE2-CZ 3.32Å; W577-Y606 HydrophobicContact CG-CD1 4.36Å; W577-Y606 HydrophobicContact CG-CD2 4.25Å; W577-Y606 HydrophobicContact CG-CG 4.11Å; W577-Y606 HydrophobicContact CH2-CE1 4.19Å; W577-Y606 AromaticContact CZ2-CE1 3.65Å; W577-Y606 HydrophobicContact CZ2-CE1 3.65Å; W577-Y606 HydrophobicContact CZ2-CE2 4.13Å; W577-Y606 AromaticContact CZ2-CZ 3.38Å; W577-Y606 WeakPolarHBondContact CZ2-OH 3.29Å; W577-Y606 AromaticContact NE1-CD2 3.31Å; W577-Y606 VanDerWaalsContact NE1-CD2 3.31Å; W577-Y606 AromaticContact NE1-CE1 3.78Å; W577-Y606 AromaticContact NE1-CE2 3.02Å; W577-Y606 AromaticContact NE1-CG 3.81Å; W577-Y606 AromaticContact NE1-CZ 3.22Å; T579-Y606 HydrophobicContact CG2-CD2 4.44Å; T579-Y606 HydrophobicContact CG2-CE2 4.01Å; V583-Y606 HydrophobicContact CG2-CE2 4.43Å; V583-Y606 WeakPolarHBondContact CG2-OH 3.26Å; F597-Y606 HydrophobicContact CE1-CD1 4.05Å; F597-Y606 HydrophobicContact CE2-CD1 4.23Å; F597-Y606 HydrophobicContact CE2-CE1 4.42Å; F597-Y606 AromaticContact CZ-CD1 3.41Å; F597-Y606 HydrophobicContact CZ-CD1 3.41Å; F597-Y606 VanDerWaalsContact CZ-CD1 3.41Å; F597-Y606 AromaticContact CZ-CE1 3.77Å; F597-Y606 HydrophobicContact CZ-CE1 3.77Å; F597-Y606 HydrophobicContact CZ-CG 4.41Å; E602-Y606 WeakPolarHBondContact O-CB 3.34Å; E602-Y606 PolarHBondContact O-N 2.76Å; Y606-G608 PolarHBondContact O-N 3.4Å; Y606-G608 VanDerWaalsContact O-N 3.14Å
607	G	80.8	Confident	90	Very high	11 Å²	11	19 Å²	19	11%	0.113	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	5.2	172.7	0	0	0	0	0	115.7	A603 S604 V605 V738	A603-G607 PolarHBondContact O-N 2.63Å; S604-G607 CarbonylContact O-C 3.23Å; S604-G607 WeakPolarHBondContact O-CA 3.25Å; S604-G607 PolarHBondContact O-N 3.08Å; S604-G607 VanDerWaalsContact O-N 3.16Å; V605-G607 PolarHBondContact O-N 2.98Å; G607-V738 WeakPolarHBondContact O-CB 3.22Å; G607-V738 WeakPolarHBondContact O-CG2 3.36Å
608	G	83.4	Confident	89.7	Confident	14 Å²	14	23.9 Å²	23.9	14%	0.144	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	24.8	176.6	0	0	0	0	0	114.9	S604 V605 Y606 V738	S604-G608 PolarHBondContact O-N 3.32Å; V605-G608 PolarHBondContact O-N 3.12Å; Y606-G608 PolarHBondContact O-N 3.4Å; Y606-G608 VanDerWaalsContact O-N 3.14Å; G608-V738 PolarHBondContact O-N 3.46Å
609	V	88.5	Confident	89.5	Confident	6 Å²	6	24.7 Å²	24.7	4%	0.036	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125	164.9	175	0	0	0	0	109.4	S604 F726 V738 G739	S604-V609 VanDerWaalsContact O-CB 3.27Å; S604-V609 WeakPolarHBondContact O-CB 3.46Å; S604-V609 WeakPolarHBondContact O-CG2 3.47Å; S604-V609 PolarHBondContact O-N 3.35Å; V609-F726 HydrophobicContact CG1-CD2 4.03Å; V609-F726 HydrophobicContact CG1-CE1 4.18Å; V609-F726 HydrophobicContact CG1-CE2 3.62Å; V609-F726 HydrophobicContact CG1-CG 4.47Å; V609-F726 HydrophobicContact CG1-CZ 3.69Å; V609-F726 HydrophobicContact CG2-CB 4.09Å; V609-F726 HydrophobicContact CG2-CD1 3.93Å; V609-F726 HydrophobicContact CG2-CD2 4.01Å; V609-F726 HydrophobicContact CG2-CE1 4.32Å; V609-F726 HydrophobicContact CG2-CE2 4.38Å; V609-F726 HydrophobicContact CG2-CG 3.76Å; V609-V738 HydrophobicContact CG2-CB 4.33Å; V609-V738 HydrophobicContact CG2-CG1 4.07Å; V609-G739 WeakPolarHBondContact CA-O 3.42Å
610	Q	89.6	Confident	89.3	Confident	41 Å²	41	28.6 Å²	28.6	19%	0.192	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.4	176.2	-64	-179.3	-19.4	0	0	110.4	P737 G739 S741	Q610-P737 HydrophobicContact CG-CB 4.49Å; Q610-G739 PolarHBondContact N-O 3.22Å; Q610-S741 PolarHBondContact O-N 2.9Å
611	L	92.6	Very high	89.1	Confident	13 Å²	13	32.4 Å²	32.4	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.6	178.1	-172.2	59.3	0	0	0	110.1	L601 F723 S741 V743 L756 Y760	L601-L611 HydrophobicContact CD1-CD2 4.4Å; L611-F723 HydrophobicContact CD1-CE1 4.14Å; L611-F723 HydrophobicContact CD1-CZ 3.9Å; L611-S741 WeakPolarHBondContact CD1-OG 3.36Å; L611-V743 HydrophobicContact CD1-CG2 4.01Å; L611-L756 HydrophobicContact CD2-CD2 4.37Å; L611-Y760 HydrophobicContact CD2-CD2 4.4Å; L611-Y760 HydrophobicContact CD2-CE2 3.52Å; L611-Y760 HydrophobicContact CG-CE2 4.07Å; L611-Y760 WeakPolarHBondContact CG-OH 3.15Å; L611-Y760 PolarHBondContact O-OH 2.71Å
612	D	91.9	Very high	88.9	Confident	35 Å²	35	32.7 Å²	32.7	19%	0.187	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.2	178.2	174.9	8.9	0	0	0	108.3	R614 S741 V742 V743	D612-R614 WeakPolarHBondContact OD1-CG 3.4Å; D612-R614 IonicContact OD1-NE 2.88Å; D612-R614 IonicContact OD2-CZ 2.78Å; D612-R614 IonicContact OD2-NE 3.22Å; D612-R614 PolarHBondContact OD2-NE 2.92Å; D612-R614 IonicContact OD2-NH2 3.9Å; D612-R614 PolarHBondContact OD2-NH2 3.44Å; D612-S741 PolarHBondContact N-O 3.38Å; D612-V742 HydrophobicContact CB-CG2 4.25Å; D612-V742 CarbonylContact O-C 3.52Å; D612-V742 WeakPolarHBondContact O-CA 3.46Å; D612-V743 PolarHBondContact O-N 3.28Å
613	V	93.8	Very high	88.8	Confident	26 Å²	26	33.3 Å²	33.3	16%	0.158	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	106.3	-179.3	-175.3	0	0	0	0	108.7	V743 A745 L756 Y760 L771	V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.3Å; V613-A745 HydrophobicContact CG1-CB 4.22Å; V613-L756 HydrophobicContact CG1-CD1 4.22Å; V613-L756 HydrophobicContact CG2-CD1 4.2Å; V613-Y760 HydrophobicContact CG2-CE2 4.29Å; V613-L771 HydrophobicContact CB-CD1 4.18Å; V613-L771 HydrophobicContact CG1-CD1 3.94Å; V613-L771 HydrophobicContact CG1-CD2 4.07Å; V613-L771 HydrophobicContact CG2-CD1 4.47Å
614	R	93.4	Very high	88.7	Confident	53 Å²	53	38 Å²	38	20%	0.2	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.2	-178.9	-61	-179.9	-171	-162.8	-1.5	108.3	D612 V616 V742 V743 F744 A745	D612-R614 WeakPolarHBondContact OD1-CG 3.4Å; D612-R614 IonicContact OD1-NE 2.88Å; D612-R614 IonicContact OD2-CZ 2.78Å; D612-R614 IonicContact OD2-NE 3.22Å; D612-R614 PolarHBondContact OD2-NE 2.92Å; D612-R614 IonicContact OD2-NH2 3.9Å; D612-R614 PolarHBondContact OD2-NH2 3.44Å; R614-V616 HydrophobicContact CB-CG2 4.29Å; R614-V742 HydrophobicContact CG-CG1 4.31Å; R614-V743 PolarHBondContact N-O 3.3Å; R614-F744 HydrophobicContact CB-CD1 3.93Å; R614-F744 HydrophobicContact CB-CE1 4.16Å; R614-F744 WeakPolarHBondContact O-CA 3.47Å; R614-A745 PolarHBondContact O-N 3.16Å
615	V	92.9	Very high	88.6	Confident	31 Å²	31	41 Å²	41	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.5	173.6	-177.2	0	0	0	0	108.3	A745 P747 L771 I774	V615-A745 CarbonylContact C-O 3.59Å; V615-A745 VanDerWaalsContact CA-O 3.24Å; V615-A745 WeakPolarHBondContact CA-O 3.47Å; V615-P747 HydrophobicContact CG1-CG 3.77Å; V615-L771 HydrophobicContact CG2-CD2 3.41Å; V615-L771 VanDerWaalsContact CG2-CD2 3.41Å; V615-I774 HydrophobicContact CB-CD1 4.29Å; V615-I774 HydrophobicContact CG1-CD1 3.76Å; V615-I774 HydrophobicContact CG2-CD1 3.73Å
616	V	91.9	Very high	88.6	Confident	3 Å²	3	40 Å²	40	2%	0.018	22%	0.217	C	C	.	.			trans	-142.7	126.1	-172.5	-176.7	0	0	0	0	107.4	R614 E621 K622 F744 A745 K746	R614-V616 HydrophobicContact CB-CG2 4.29Å; V616-E621 HydrophobicContact CG1-CB 3.82Å; V616-E621 HydrophobicContact CG1-CG 3.81Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.5Å; V616-K622 HydrophobicContact CG1-CB 3.8Å; V616-K622 HydrophobicContact CG1-CG 4.31Å; V616-F744 HydrophobicContact CG2-CD1 3.93Å; V616-F744 HydrophobicContact CG2-CE1 4.44Å; V616-A745 PolarHBondContact N-O 2.65Å; V616-K746 WeakPolarHBondContact O-CA 3.37Å
617	A	85.9	Confident	88.6	Confident	47 Å²	47	42.7 Å²	42.7	39%	0.388	23%	0.229	S	C	.	.			trans	-80.8	-52.5	-179.4	0	0	0	0	0	110.9	E621 K746	A617-E621 PolarHBondContact N-OE2 2.74Å; A617-K746 PolarHBondContact O-NZ 3.31Å
618	D	87.1	Confident	88.8	Confident	107 Å²	107	44.7 Å²	44.7	57%	0.572	25%	0.245	S	C	*	.	S	Bend	trans	-104.5	143.1	-163.7	-68.9	-51.2	0	0	0	112.8	E621 K622	D618-E621 HydrophobicContact CB-CB 4.47Å; D618-E621 PolarHBondContact O-N 3.25Å; D618-K622 PolarHBondContact O-N 3.22Å
619	E	86.6	Confident	88.9	Confident	70 Å²	70	44 Å²	44	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-34.8	-180	-64.8	-66.1	126.8	0	0	113.6	K622 I623 Y710 K746	E619-K622 VanDerWaalsContact O-CB 3.28Å; E619-K622 WeakPolarHBondContact O-CB 3.44Å; E619-K622 PolarHBondContact O-N 2.93Å; E619-K622 WeakPolarHBondContact OE1-CD 3.3Å; E619-K622 IonicContact OE1-NZ 3.21Å; E619-K622 PolarHBondContact OE1-NZ 2.65Å; E619-K622 WeakPolarHBondContact OE2-CD 3.44Å; E619-K622 IonicContact OE2-NZ 3.44Å; E619-K622 PolarHBondContact OE2-NZ 2.82Å; E619-K622 VanDerWaalsContact OE2-NZ 3.16Å; E619-I623 WeakPolarHBondContact O-CG1 3.07Å; E619-I623 PolarHBondContact O-N 2.99Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.28Å; E619-Y710 PolarHBondContact OE2-OH 3.43Å; E619-K746 WeakPolarHBondContact OE1-CE 3.34Å; E619-K746 IonicContact OE1-NZ 3.64Å; E619-K746 PolarHBondContact OE1-NZ 2.62Å
620	P	87.4	Confident	88.5	Confident	96 Å²	96	44.9 Å²	44.9	62%	0.623	24%	0.242	S	C	*	.	H	α-helix	trans	-58.6	-46.1	170.5	-27.6	36.5	0	0	0	113.7	K622 I623 E624	P620-K622 VanDerWaalsContact C-N 3.28Å; P620-K622 PolarHBondContact O-N 3.09Å; P620-I623 PolarHBondContact O-N 3.02Å; P620-I623 VanDerWaalsContact O-N 3.11Å; P620-E624 PolarHBondContact O-N 3.11Å
621	E	88.4	Confident	87.9	Confident	85 Å²	85	45.3 Å²	45.3	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-40.1	176.7	-174.4	-172.7	-143.1	0	0	111.1	V616 A617 D618 I623 E624 H625	V616-E621 HydrophobicContact CG1-CB 3.82Å; V616-E621 HydrophobicContact CG1-CG 3.81Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.5Å; A617-E621 PolarHBondContact N-OE2 2.74Å; D618-E621 HydrophobicContact CB-CB 4.47Å; D618-E621 PolarHBondContact O-N 3.25Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 2.74Å; E621-E624 PolarHBondContact O-N 2.85Å; E621-H625 PolarHBondContact O-CD2 2.99Å; E621-H625 PolarHBondContact O-N 3.42Å
622	K	89.7	Confident	87.2	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.022	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-39.3	174.4	-155.2	175	171	-170	0	112.6	V616 D618 E619 P620 L626 Y710 S711 F744	V616-K622 HydrophobicContact CG1-CB 3.8Å; V616-K622 HydrophobicContact CG1-CG 4.31Å; D618-K622 PolarHBondContact O-N 3.22Å; E619-K622 VanDerWaalsContact O-CB 3.28Å; E619-K622 WeakPolarHBondContact O-CB 3.44Å; E619-K622 PolarHBondContact O-N 2.93Å; E619-K622 WeakPolarHBondContact OE1-CD 3.3Å; E619-K622 IonicContact OE1-NZ 3.21Å; E619-K622 PolarHBondContact OE1-NZ 2.65Å; E619-K622 WeakPolarHBondContact OE2-CD 3.44Å; E619-K622 IonicContact OE2-NZ 3.44Å; E619-K622 PolarHBondContact OE2-NZ 2.82Å; E619-K622 VanDerWaalsContact OE2-NZ 3.16Å; P620-K622 VanDerWaalsContact C-N 3.28Å; P620-K622 PolarHBondContact O-N 3.09Å; K622-L626 VanDerWaalsContact O-CB 3.25Å; K622-L626 WeakPolarHBondContact O-CB 3.42Å; K622-L626 PolarHBondContact O-N 2.95Å; K622-Y710 HydrophobicContact CD-CE1 4.13Å; K622-Y710 HydrophobicContact CD-CE2 4.01Å; K622-Y710 VanDerWaalsContact CE-CE1 3.44Å; K622-Y710 VanDerWaalsContact CE-CZ 3.43Å; K622-Y710 WeakPolarHBondContact CE-O 3.29Å; K622-Y710 HydrophobicContact CG-CE2 4.02Å; K622-Y710 PolarHBondContact NZ-O 3.14Å; K622-S711 PolarHBondContact NZ-OG 2.78Å; K622-S711 VanDerWaalsContact NZ-OG 3.16Å; K622-F744 HydrophobicContact CG-CB 4.24Å; K622-F744 HydrophobicContact CG-CD1 4.37Å; K622-F744 HydrophobicContact CG-CD2 3.84Å; K622-F744 HydrophobicContact CG-CE2 4.28Å; K622-F744 HydrophobicContact CG-CG 3.92Å
623	I	88.2	Confident	86.2	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-70.6	-36.7	175	-65.5	-65.8	0	0	0	111.4	E619 P620 E621 L626 K627 L654 I661	E619-I623 WeakPolarHBondContact O-CG1 3.07Å; E619-I623 PolarHBondContact O-N 2.99Å; P620-I623 PolarHBondContact O-N 3.02Å; P620-I623 VanDerWaalsContact O-N 3.11Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 2.74Å; I623-L626 HydrophobicContact CD1-CD2 4.4Å; I623-L626 PolarHBondContact O-N 3.29Å; I623-K627 HydrophobicContact CG2-CD 4.46Å; I623-K627 WeakPolarHBondContact O-CG 3.37Å; I623-K627 PolarHBondContact O-N 3.23Å; I623-L654 HydrophobicContact CD1-CD1 3.46Å; I623-L654 VanDerWaalsContact CD1-CD1 3.46Å; I623-I661 HydrophobicContact CG2-CD1 4.27Å
624	E	87.5	Confident	84.9	Confident	98 Å²	98	56.2 Å²	56.2	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-68.5	-42.4	173.7	-60.2	-42.9	121.8	0	0	112.5	P620 E621 L626 K627 A628	P620-E624 PolarHBondContact O-N 3.11Å; E621-E624 PolarHBondContact O-N 2.85Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 3.48Å; E624-K627 WeakPolarHBondContact O-CB 3.17Å; E624-K627 PolarHBondContact O-N 3.17Å; E624-K627 IonicContact OE1-NZ 3.71Å; E624-K627 PolarHBondContact OE1-NZ 3.36Å; E624-K627 WeakPolarHBondContact OE2-CD 3.38Å; E624-K627 IonicContact OE2-NZ 2.74Å; E624-K627 PolarHBondContact OE2-NZ 2.81Å; E624-A628 PolarHBondContact O-N 2.69Å
625	H	88	Confident	83.1	Confident	64 Å²	64	60 Å²	60	30%	0.296	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-35.7	171.9	-79.7	-58.2	0	0	0	112.6	E621 L629 F744	E621-H625 PolarHBondContact O-CD2 2.99Å; E621-H625 PolarHBondContact O-N 3.42Å; H625-L629 WeakPolarHBondContact O-CB 3.27Å; H625-L629 PolarHBondContact O-N 2.89Å; H625-F744 HydrophobicContact CB-CE1 3.72Å; H625-F744 HydrophobicContact CB-CZ 3.98Å
626	L	88.6	Confident	81	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-41.6	175.4	177.8	56.7	0	0	0	112.2	K622 I623 E624 L629 I630 M643 L654 L658 I708 Y710 F744	K622-L626 VanDerWaalsContact O-CB 3.25Å; K622-L626 WeakPolarHBondContact O-CB 3.42Å; K622-L626 PolarHBondContact O-N 2.95Å; I623-L626 HydrophobicContact CD1-CD2 4.4Å; I623-L626 PolarHBondContact O-N 3.29Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 3.48Å; L626-L629 PolarHBondContact O-N 3.41Å; L626-I630 HydrophobicContact CD1-CD1 3.74Å; L626-I630 HydrophobicContact CD1-CG1 4.12Å; L626-I630 HydrophobicContact CG-CD1 3.95Å; L626-I630 WeakPolarHBondContact O-CB 3.43Å; L626-I630 VanDerWaalsContact O-CG1 3.29Å; L626-I630 WeakPolarHBondContact O-CG1 3.41Å; L626-I630 PolarHBondContact O-N 2.68Å; L626-M643 HydrophobicContact CD1-CE 3.36Å; L626-M643 HydrophobicContact CD2-CE 3.67Å; L626-M643 HydrophobicContact CG-CE 4.17Å; L626-L654 HydrophobicContact CD2-CD1 4.32Å; L626-L658 HydrophobicContact CD2-CD2 3.87Å; L626-L658 HydrophobicContact CG-CD2 4.49Å; L626-I708 HydrophobicContact CD1-CD1 3.87Å; L626-Y710 HydrophobicContact CD2-CE2 4.32Å; L626-F744 HydrophobicContact CB-CE2 4.3Å; L626-F744 HydrophobicContact CB-CZ 4.29Å
627	K	84.1	Confident	79.2	Confident	69 Å²	69	69 Å²	69	30%	0.3	36%	0.362	S	S	.	.	H	α-helix	trans	-56.6	-49.4	170.7	-79.9	162.2	169	177.8	0	111.3	I623 E624 L629 I630 A631 I661	I623-K627 HydrophobicContact CG2-CD 4.46Å; I623-K627 WeakPolarHBondContact O-CG 3.37Å; I623-K627 PolarHBondContact O-N 3.23Å; E624-K627 WeakPolarHBondContact O-CB 3.17Å; E624-K627 PolarHBondContact O-N 3.17Å; E624-K627 IonicContact OE1-NZ 3.71Å; E624-K627 PolarHBondContact OE1-NZ 3.36Å; E624-K627 WeakPolarHBondContact OE2-CD 3.38Å; E624-K627 IonicContact OE2-NZ 2.74Å; E624-K627 PolarHBondContact OE2-NZ 2.81Å; K627-L629 PolarHBondContact O-N 2.89Å; K627-I630 PolarHBondContact O-N 2.69Å; K627-A631 VanDerWaalsContact O-CB 3.3Å; K627-A631 WeakPolarHBondContact O-CB 3.41Å; K627-A631 PolarHBondContact O-N 2.92Å; K627-I661 HydrophobicContact CD-CD1 4.15Å; K627-I661 HydrophobicContact CG-CD1 3.57Å
628	A	86	Confident	78.1	Confident	54 Å²	54	71.7 Å²	71.7	45%	0.446	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-47.8	179.6	0	0	0	0	0	111.5	E624 I630 A631 E632	E624-A628 PolarHBondContact O-N 2.69Å; A628-I630 PolarHBondContact O-N 3.34Å; A628-A631 PolarHBondContact O-N 3.04Å; A628-E632 VanDerWaalsContact O-CB 3.3Å; A628-E632 WeakPolarHBondContact O-CB 3.28Å; A628-E632 PolarHBondContact O-N 2.81Å
629	L	85.4	Confident	77.4	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-41.1	177.9	-173.5	72.1	0	0	0	112.8	H625 L626 K627 R633 L706 I708 V742	H625-L629 WeakPolarHBondContact O-CB 3.27Å; H625-L629 PolarHBondContact O-N 2.89Å; L626-L629 PolarHBondContact O-N 3.41Å; K627-L629 PolarHBondContact O-N 2.89Å; L629-R633 WeakPolarHBondContact O-CB 3.39Å; L629-R633 WeakPolarHBondContact O-CG 3.44Å; L629-R633 PolarHBondContact O-N 2.92Å; L629-L706 HydrophobicContact CD2-CD1 4.45Å; L629-L706 HydrophobicContact CD2-CD2 4.1Å; L629-L706 HydrophobicContact CG-CD2 4.16Å; L629-I708 HydrophobicContact CD2-CD1 3.7Å; L629-I708 HydrophobicContact CD2-CG1 3.92Å; L629-V742 HydrophobicContact CD1-CG2 4.05Å; L629-V742 HydrophobicContact CD2-CB 4.3Å; L629-V742 HydrophobicContact CD2-CG1 4.32Å; L629-V742 HydrophobicContact CD2-CG2 4.09Å
630	I	79.4	Confident	77.2	Confident	24 Å²	24	67.8 Å²	67.8	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-70.8	-41.1	177.5	-68.7	169.7	0	0	0	111	L626 K627 A628 R633 R634 V663	L626-I630 HydrophobicContact CD1-CD1 3.74Å; L626-I630 HydrophobicContact CD1-CG1 4.12Å; L626-I630 HydrophobicContact CG-CD1 3.95Å; L626-I630 WeakPolarHBondContact O-CB 3.43Å; L626-I630 VanDerWaalsContact O-CG1 3.29Å; L626-I630 WeakPolarHBondContact O-CG1 3.41Å; L626-I630 PolarHBondContact O-N 2.68Å; K627-I630 PolarHBondContact O-N 2.69Å; A628-I630 PolarHBondContact O-N 3.34Å; I630-R633 PolarHBondContact O-N 3.15Å; I630-R634 HydrophobicContact CG2-CG 4.47Å; I630-R634 WeakPolarHBondContact O-CB 3.34Å; I630-R634 WeakPolarHBondContact O-CG 3.34Å; I630-R634 PolarHBondContact O-N 3.49Å; I630-V663 HydrophobicContact CD1-CG1 4.12Å; I630-V663 HydrophobicContact CD1-CG2 4.44Å
631	A	78.1	Confident	77.2	Confident	50 Å²	50	63.8 Å²	63.8	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-45.8	178.9	0	0	0	0	0	111.8	K627 A628 R633 R634 N635	K627-A631 VanDerWaalsContact O-CB 3.3Å; K627-A631 WeakPolarHBondContact O-CB 3.41Å; K627-A631 PolarHBondContact O-N 2.92Å; A628-A631 PolarHBondContact O-N 3.04Å; A631-R633 PolarHBondContact O-N 2.87Å; A631-R634 PolarHBondContact O-N 3.39Å; A631-N635 PolarHBondContact O-N 3.2Å; A631-N635 PolarHBondContact O-ND2 3.4Å; A631-N635 PolarHBondContact O-OD1 3.27Å
632	E	76.5	Confident	77.4	Confident	100 Å²	100	59.8 Å²	59.8	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-53.9	-51.2	173.3	-179	179	-156.1	0	0	111.1	A628 R634 N635 F636	A628-E632 VanDerWaalsContact O-CB 3.3Å; A628-E632 WeakPolarHBondContact O-CB 3.28Å; A628-E632 PolarHBondContact O-N 2.81Å; E632-R634 PolarHBondContact O-N 3.26Å; E632-N635 PolarHBondContact O-N 3.22Å; E632-F636 VanDerWaalsContact O-CD2 3.3Å; E632-F636 WeakPolarHBondContact O-CD2 3.37Å
633	R	71	Confident	77.6	Confident	65 Å²	65	59.5 Å²	59.5	25%	0.245	31%	0.306	C	S	.	.	H	α-helix	trans	-68.8	-32.4	-178.6	-73.6	-74.4	179.6	164.1	-4.8	114.3	L629 I630 A631 N635 F636 A637 E639 L706	L629-R633 WeakPolarHBondContact O-CB 3.39Å; L629-R633 WeakPolarHBondContact O-CG 3.44Å; L629-R633 PolarHBondContact O-N 2.92Å; I630-R633 PolarHBondContact O-N 3.15Å; A631-R633 PolarHBondContact O-N 2.87Å; R633-N635 PolarHBondContact O-N 3.09Å; R633-F636 PolarHBondContact O-N 3.25Å; R633-A637 PolarHBondContact O-N 2.82Å; R633-E639 IonicContact CZ-OE2 3.87Å; R633-E639 IonicContact NH1-OE2 3.73Å; R633-E639 PolarHBondContact NH1-OE2 2.62Å; R633-L706 HydrophobicContact CG-CD2 4.2Å
634	R	66	Low	78	Confident	138 Å²	138	58.5 Å²	58.5	52%	0.521	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-34	173.2	-82.6	177.1	175.8	-175.3	-0.1	112.2	I630 A631 E632 F636	I630-R634 HydrophobicContact CG2-CG 4.47Å; I630-R634 WeakPolarHBondContact O-CB 3.34Å; I630-R634 WeakPolarHBondContact O-CG 3.34Å; I630-R634 PolarHBondContact O-N 3.49Å; A631-R634 PolarHBondContact O-N 3.39Å; E632-R634 PolarHBondContact O-N 3.26Å; R634-F636 VanDerWaalsContact C-N 3.33Å; R634-F636 PolarHBondContact O-N 3.45Å
635	N	55.6	Low	78.4	Confident	131 Å²	131	53.9 Å²	53.9	70%	0.701	28%	0.279	S	S	*	.	H	α-helix	trans	-73.4	-20.4	-177.4	-64.4	-17.3	0	0	0	114	A631 E632 R633	A631-N635 PolarHBondContact O-N 3.2Å; A631-N635 PolarHBondContact O-ND2 3.4Å; A631-N635 PolarHBondContact O-OD1 3.27Å; E632-N635 PolarHBondContact O-N 3.22Å; R633-N635 PolarHBondContact O-N 3.09Å
636	F	50.1	Low	78.4	Confident	172 Å²	172	52.9 Å²	52.9	75%	0.754	28%	0.279	S	S	*	.	H	α-helix	trans	-109.2	-33.4	-170.1	-74	-67.6	0	0	0	116.2	E632 R633 R634	E632-F636 VanDerWaalsContact O-CD2 3.3Å; E632-F636 WeakPolarHBondContact O-CD2 3.37Å; R633-F636 PolarHBondContact O-N 3.25Å; R634-F636 VanDerWaalsContact C-N 3.33Å; R634-F636 PolarHBondContact O-N 3.45Å
637	A	53.9	Low	78.5	Confident	52 Å²	52	56 Å²	56	43%	0.43	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.1	-5	-168.5	0	0	0	0	0	118.6	R633 E639	R633-A637 PolarHBondContact O-N 2.82Å; A637-E639 HydrophobicContact CB-CB 4.39Å; A637-E639 HydrophobicContact CB-CG 3.5Å; A637-E639 PolarHBondContact O-N 3.46Å
638	N	63.2	Low	78.9	Confident	103 Å²	103	55.5 Å²	55.5	55%	0.551	30%	0.301	S	S	*	.			trans	53.3	43.2	-175	-110.1	-24.5	0	0	0	112.3	S686	N638-S686 VanDerWaalsContact C-CB 3.43Å; N638-S686 WeakPolarHBondContact O-CA 3.27Å; N638-S686 VanDerWaalsContact O-CB 3.26Å; N638-S686 WeakPolarHBondContact O-CB 3.49Å; N638-S686 WeakPolarHBondContact OD1-CB 3.41Å; N638-S686 PolarHBondContact OD1-OG 2.81Å
639	E	72.3	Confident	79.3	Confident	68 Å²	68	57.2 Å²	57.2	32%	0.318	31%	0.306	S	S	.	.			trans	-85.4	147	-170	-88.8	175.6	166.3	0	0	114.5	R633 A637 P685 P705	R633-E639 IonicContact CZ-OE2 3.87Å; R633-E639 IonicContact NH1-OE2 3.73Å; R633-E639 PolarHBondContact NH1-OE2 2.62Å; A637-E639 HydrophobicContact CB-CB 4.39Å; A637-E639 HydrophobicContact CB-CG 3.5Å; A637-E639 PolarHBondContact O-N 3.46Å; E639-P685 CarbonylContact C-O 3.49Å; E639-P705 HydrophobicContact CB-CG 3.55Å; E639-P705 HydrophobicContact CG-CB 4.27Å; E639-P705 HydrophobicContact CG-CG 3.6Å
640	P	81.5	Confident	79.6	Confident	27 Å²	27	58.6 Å²	58.6	18%	0.175	31%	0.312	C	S	.	.			trans	-74.6	138.9	176.9	25.3	-28.7	0	0	0	111.5	W680 P685 P705	P640-W680 HydrophobicContact CB-CH2 4.13Å; P640-W680 HydrophobicContact CB-CZ2 3.63Å; P640-P685 WeakPolarHBondContact CA-O 3.31Å; P640-P685 VanDerWaalsContact CB-O 3.22Å; P640-P685 WeakPolarHBondContact CB-O 3.47Å; P640-P685 VanDerWaalsContact CD-O 3.22Å; P640-P685 WeakPolarHBondContact CD-O 3.32Å; P640-P705 VanDerWaalsContact O-CD 3.31Å; P640-P705 WeakPolarHBondContact O-CD 3.39Å
641	A	88	Confident	80.3	Confident	13 Å²	13	57.4 Å²	57.4	11%	0.107	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.6	176.1	0	0	0	0	0	111.3	G687 L688 L689 L706	A641-G687 PolarHBondContact N-O 3.02Å; A641-L688 HydrophobicContact CB-CD1 3.69Å; A641-L689 PolarHBondContact O-N 3.24Å; A641-L706 HydrophobicContact CB-CB 4.21Å; A641-L706 HydrophobicContact CB-CD2 4.08Å; A641-L706 HydrophobicContact CB-CG 4.28Å
642	V	92.8	Very high	81	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.9	170	-177.6	0	0	0	0	108.9	W680 L689 V691 C701 I704 L706 L707 I708 L725	V642-W680 HydrophobicContact CG2-CH2 3.63Å; V642-W680 HydrophobicContact CG2-CZ2 4.18Å; V642-W680 HydrophobicContact CG2-CZ3 4.43Å; V642-L689 HydrophobicContact CG2-CD2 4.48Å; V642-V691 HydrophobicContact CG1-CG1 4.44Å; V642-V691 HydrophobicContact CG1-CG2 3.97Å; V642-C701 HydrophobicContact CG2-CB 4.32Å; V642-I704 HydrophobicContact CG2-CB 4.48Å; V642-I704 HydrophobicContact CG2-CG2 3.75Å; V642-L706 PolarHBondContact N-O 3Å; V642-L706 VanDerWaalsContact N-O 3.09Å; V642-L707 HydrophobicContact CB-CD1 4.14Å; V642-L707 HydrophobicContact CG1-CD1 4.23Å; V642-L707 CarbonylContact O-C 3.52Å; V642-L707 WeakPolarHBondContact O-CA 3.33Å; V642-I708 PolarHBondContact O-N 3.37Å; V642-L725 HydrophobicContact CG1-CD1 3.94Å
643	M	94.4	Very high	81.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.1	176.4	179.7	-176.9	-65.9	0	0	110.9	L626 L654 L688 L689 L690 V691 I708 Y710	L626-M643 HydrophobicContact CD1-CE 3.36Å; L626-M643 HydrophobicContact CD2-CE 3.67Å; L626-M643 HydrophobicContact CG-CE 4.17Å; M643-L654 HydrophobicContact SD-CD2 3.37Å; M643-L654 WeakPolarHBondContact SD-CD2 3.5Å; M643-L688 HydrophobicContact CB-CD1 4.08Å; M643-L688 HydrophobicContact CE-CD1 4.29Å; M643-L688 HydrophobicContact CE-CD2 3.98Å; M643-L689 PolarHBondContact N-O 3.43Å; M643-L690 HydrophobicContact CB-CD2 3.97Å; M643-L690 HydrophobicContact CG-CD2 4.22Å; M643-L690 HydrophobicContact SD-CD2 3.64Å; M643-V691 PolarHBondContact O-N 3.39Å; M643-I708 CarbonylContact C-O 3.31Å; M643-I708 VanDerWaalsContact CA-O 3.24Å; M643-I708 WeakPolarHBondContact CA-O 3.41Å; M643-I708 HydrophobicContact CB-CB 4.14Å; M643-I708 HydrophobicContact CE-CB 4.04Å; M643-I708 HydrophobicContact CE-CD1 3.65Å; M643-I708 HydrophobicContact CE-CG1 4.46Å; M643-I708 HydrophobicContact CE-CG2 3.91Å; M643-I708 HydrophobicContact CG-CB 4.03Å; M643-I708 HydrophobicContact CG-CG2 4.29Å; M643-Y710 HydrophobicContact CE-CD2 4.45Å; M643-Y710 HydrophobicContact SD-CD2 3.84Å; M643-Y710 HydrophobicContact SD-CG 4.15Å
644	V	96.2	Very high	82.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117	179.6	-164.1	0	0	0	0	110.2	V691 V696 L707 I708 Y710 R722	V644-V691 WeakPolarHBondContact CA-O 3.25Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.24Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; V644-V696 HydrophobicContact CG1-CG2 4.31Å; V644-V696 HydrophobicContact CG2-CG2 4.39Å; V644-L707 HydrophobicContact CG2-CD1 3.92Å; V644-I708 PolarHBondContact N-O 3.26Å; V644-Y710 PolarHBondContact O-N 2.73Å; V644-R722 HydrophobicContact CB-CG 4.34Å; V644-R722 HydrophobicContact CG1-CG 4.1Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.39Å; V644-R722 HydrophobicContact CG2-CG 4.13Å; V644-R722 PolarHBondContact O-NH1 2.67Å
645	C	94.5	Very high	83.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	162.2	169.9	-62.3	0	0	0	0	110.5	E650 V651 V691	C645-E650 HydrophobicContact CB-CB 4.25Å; C645-E650 HydrophobicContact CB-CG 3.98Å; C645-E650 WeakPolarHBondContact CB-OE2 3.47Å; C645-V651 HydrophobicContact CB-CG2 3.59Å; C645-V691 PolarHBondContact N-O 3.41Å
646	S	89.4	Confident	85.6	Confident	44 Å²	44	56.5 Å²	56.5	31%	0.308	29%	0.292	S	S	.	.	S	Bend	trans	-69.8	-34.7	178.6	65.5	0	0	0	0	113.2	E650	S646-E650 WeakPolarHBondContact CB-OE2 3.28Å; S646-E650 PolarHBondContact N-OE2 2.67Å; S646-E650 PolarHBondContact OG-OE2 3.46Å
647	N	90.4	Very high	87.4	Confident	66 Å²	66	50.9 Å²	50.9	35%	0.353	27%	0.274	S	S	.	.	S	Bend	trans	-153.9	168.6	-174.2	70.1	79.6	0	0	0	112.7	T649 E650 V651	N647-T649 WeakPolarHBondContact OD1-CA 3.14Å; N647-T649 VanDerWaalsContact OD1-CB 3.25Å; N647-T649 WeakPolarHBondContact OD1-CB 3.47Å; N647-T649 PolarHBondContact OD1-N 3.15Å; N647-E650 PolarHBondContact O-N 3.19Å; N647-E650 PolarHBondContact OD1-N 3.46Å; N647-V651 PolarHBondContact O-N 2.87Å
648	S	92.4	Very high	89	Confident	59 Å²	59	48.4 Å²	48.4	41%	0.413	25%	0.254	S	S	.	.	H	α-helix	trans	-70.5	-30	-176.3	50.3	0	0	0	0	114.3	V651 L652	S648-V651 PolarHBondContact O-N 3.36Å; S648-L652 WeakPolarHBondContact O-CG 3.34Å; S648-L652 PolarHBondContact O-N 2.99Å
649	T	93.3	Very high	90.2	Very high	89 Å²	89	47.7 Å²	47.7	55%	0.546	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-43.2	175.1	-52.3	0	0	0	0	110.8	N647 V651 L652 L653	N647-T649 WeakPolarHBondContact OD1-CA 3.14Å; N647-T649 VanDerWaalsContact OD1-CB 3.25Å; N647-T649 WeakPolarHBondContact OD1-CB 3.47Å; N647-T649 PolarHBondContact OD1-N 3.15Å; T649-V651 VanDerWaalsContact C-N 3.35Å; T649-V651 PolarHBondContact O-N 2.88Å; T649-L652 PolarHBondContact O-N 3.08Å; T649-L653 HydrophobicContact CG2-CD1 4.23Å; T649-L653 WeakPolarHBondContact O-CG 3.48Å; T649-L653 PolarHBondContact O-N 3.22Å
650	E	93	Very high	90.8	Very high	29 Å²	29	48.7 Å²	48.7	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-42.7	174.1	-176.2	174.5	-138.3	0	0	111.6	C645 S646 N647 L652 L653 L654 Y710 S711	C645-E650 HydrophobicContact CB-CB 4.25Å; C645-E650 HydrophobicContact CB-CG 3.98Å; C645-E650 WeakPolarHBondContact CB-OE2 3.47Å; S646-E650 WeakPolarHBondContact CB-OE2 3.28Å; S646-E650 PolarHBondContact N-OE2 2.67Å; S646-E650 PolarHBondContact OG-OE2 3.46Å; N647-E650 PolarHBondContact O-N 3.19Å; N647-E650 PolarHBondContact OD1-N 3.46Å; E650-L652 PolarHBondContact O-N 2.86Å; E650-L653 PolarHBondContact O-N 3.49Å; E650-L654 WeakPolarHBondContact O-CB 3.44Å; E650-L654 PolarHBondContact O-N 3.11Å; E650-Y710 HydrophobicContact CG-CD1 4.22Å; E650-Y710 HydrophobicContact CG-CE1 4.38Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.48Å; E650-S711 VanDerWaalsContact OE1-CB 3.29Å; E650-S711 WeakPolarHBondContact OE1-CB 3.35Å; E650-S711 PolarHBondContact OE1-OG 2.89Å
651	V	94.3	Very high	90.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-42.8	173.6	171.4	0	0	0	0	112.3	C645 N647 S648 T649 R655 I667 V669 L690 T692	C645-V651 HydrophobicContact CB-CG2 3.59Å; N647-V651 PolarHBondContact O-N 2.87Å; S648-V651 PolarHBondContact O-N 3.36Å; T649-V651 VanDerWaalsContact C-N 3.35Å; T649-V651 PolarHBondContact O-N 2.88Å; V651-R655 WeakPolarHBondContact O-CB 3.36Å; V651-R655 PolarHBondContact O-N 3.23Å; V651-I667 HydrophobicContact CG1-CB 4.42Å; V651-I667 HydrophobicContact CG1-CD1 3.73Å; V651-I667 HydrophobicContact CG1-CG1 3.71Å; V651-I667 HydrophobicContact CG1-CG2 3.95Å; V651-V669 HydrophobicContact CB-CG1 4.1Å; V651-V669 HydrophobicContact CG1-CG1 3.93Å; V651-V669 HydrophobicContact CG2-CG1 4.06Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.12Å; V651-L690 HydrophobicContact CG2-CB 4.47Å; V651-T692 HydrophobicContact CG2-CG2 4.16Å
652	L	92.6	Very high	90.4	Very high	97 Å²	97	52.3 Å²	52.3	51%	0.508	30%	0.296	S	S	.	.	H	α-helix	trans	-71	-39.6	-179.4	-70.9	172.9	0	0	0	112.8	S648 T649 E650 R656 I667	S648-L652 WeakPolarHBondContact O-CG 3.34Å; S648-L652 PolarHBondContact O-N 2.99Å; T649-L652 PolarHBondContact O-N 3.08Å; E650-L652 PolarHBondContact O-N 2.86Å; L652-R656 WeakPolarHBondContact O-CG 3.27Å; L652-R656 PolarHBondContact O-N 2.84Å; L652-I667 HydrophobicContact CD2-CD1 4.13Å
653	L	91.9	Very high	89.9	Confident	98 Å²	98	52.9 Å²	52.9	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-49.8	174.4	-70.1	172.9	0	0	0	110.6	T649 E650 R655 R656 S657	T649-L653 HydrophobicContact CG2-CD1 4.23Å; T649-L653 WeakPolarHBondContact O-CG 3.48Å; T649-L653 PolarHBondContact O-N 3.22Å; E650-L653 PolarHBondContact O-N 3.49Å; L653-R655 VanDerWaalsContact C-N 3.33Å; L653-R655 PolarHBondContact O-N 3.11Å; L653-R656 WeakPolarHBondContact O-CB 3.45Å; L653-R656 PolarHBondContact O-N 3.33Å; L653-S657 PolarHBondContact O-N 3.45Å; L653-S657 VanDerWaalsContact O-N 3.13Å; L653-S657 PolarHBondContact O-OG 3.03Å
654	L	91.6	Very high	89.2	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-37.8	-179.3	-176.3	55.3	0	0	0	112.3	I623 L626 M643 E650 R656 S657 L658 L690 Y710	I623-L654 HydrophobicContact CD1-CD1 3.46Å; I623-L654 VanDerWaalsContact CD1-CD1 3.46Å; L626-L654 HydrophobicContact CD2-CD1 4.32Å; M643-L654 HydrophobicContact SD-CD2 3.37Å; M643-L654 WeakPolarHBondContact SD-CD2 3.5Å; E650-L654 WeakPolarHBondContact O-CB 3.44Å; E650-L654 PolarHBondContact O-N 3.11Å; L654-R656 VanDerWaalsContact C-N 3.3Å; L654-R656 PolarHBondContact O-N 3.1Å; L654-S657 PolarHBondContact O-N 2.81Å; L654-L658 HydrophobicContact CD1-CD1 4.38Å; L654-L658 HydrophobicContact CD1-CG 4.14Å; L654-L658 HydrophobicContact CG-CD1 4.06Å; L654-L658 HydrophobicContact CG-CG 4.3Å; L654-L658 WeakPolarHBondContact O-CB 3.35Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 3.03Å; L654-L690 HydrophobicContact CD2-CD2 4.35Å; L654-Y710 HydrophobicContact CD1-CD2 4.48Å; L654-Y710 HydrophobicContact CD1-CE2 3.78Å; L654-Y710 HydrophobicContact CD2-CD1 3.99Å; L654-Y710 HydrophobicContact CD2-CD2 3.55Å; L654-Y710 HydrophobicContact CD2-CE1 4.1Å; L654-Y710 HydrophobicContact CD2-CE2 3.67Å; L654-Y710 HydrophobicContact CD2-CG 3.73Å; L654-Y710 HydrophobicContact CG-CE2 4.4Å
655	R	90.9	Very high	88.8	Confident	89 Å²	89	58.9 Å²	58.9	34%	0.336	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-40.3	172.8	178.6	168.8	174.2	162.3	2.7	112.3	V651 L653 L658 Q659 I667 L690	V651-R655 WeakPolarHBondContact O-CB 3.36Å; V651-R655 PolarHBondContact O-N 3.23Å; L653-R655 VanDerWaalsContact C-N 3.33Å; L653-R655 PolarHBondContact O-N 3.11Å; R655-L658 PolarHBondContact O-N 2.85Å; R655-Q659 HydrophobicContact CG-CG 4.26Å; R655-Q659 WeakPolarHBondContact O-CB 3.21Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.39Å; R655-Q659 PolarHBondContact O-N 2.92Å; R655-I667 HydrophobicContact CB-CD1 4.13Å; R655-I667 HydrophobicContact CG-CD1 4.33Å; R655-L690 HydrophobicContact CB-CD1 3.93Å
656	R	90.8	Very high	88.5	Confident	175 Å²	175	60.3 Å²	60.3	66%	0.66	34%	0.339	S	S	*	.	H	α-helix	trans	-65	-46.3	177.1	-66.3	171.5	-177.3	177.1	0.9	110.9	L652 L653 L654 L658 Q659 A660	L652-R656 WeakPolarHBondContact O-CG 3.27Å; L652-R656 PolarHBondContact O-N 2.84Å; L653-R656 WeakPolarHBondContact O-CB 3.45Å; L653-R656 PolarHBondContact O-N 3.33Å; L654-R656 VanDerWaalsContact C-N 3.3Å; L654-R656 PolarHBondContact O-N 3.1Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 3.49Å; R656-Q659 PolarHBondContact O-N 2.86Å; R656-A660 WeakPolarHBondContact O-CB 3.41Å; R656-A660 PolarHBondContact O-N 2.93Å
657	S	88.7	Confident	88.7	Confident	55 Å²	55	59.1 Å²	59.1	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-41.8	176.2	-54.5	0	0	0	0	112.2	L653 L654 A660 I661	L653-S657 PolarHBondContact O-N 3.45Å; L653-S657 VanDerWaalsContact O-N 3.13Å; L653-S657 PolarHBondContact O-OG 3.03Å; L654-S657 PolarHBondContact O-N 2.81Å; S657-A660 PolarHBondContact O-N 2.9Å; S657-I661 WeakPolarHBondContact O-CG1 3.42Å; S657-I661 PolarHBondContact O-N 2.91Å
658	L	86.8	Confident	88.7	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-42.5	176.6	-72.7	176.8	0	0	0	112.8	L626 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690	L626-L658 HydrophobicContact CD2-CD2 3.87Å; L626-L658 HydrophobicContact CG-CD2 4.49Å; L654-L658 HydrophobicContact CD1-CD1 4.38Å; L654-L658 HydrophobicContact CD1-CG 4.14Å; L654-L658 HydrophobicContact CG-CD1 4.06Å; L654-L658 HydrophobicContact CG-CG 4.3Å; L654-L658 WeakPolarHBondContact O-CB 3.35Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 3.03Å; R655-L658 PolarHBondContact O-N 2.85Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 3.49Å; L658-A660 VanDerWaalsContact C-N 3.33Å; L658-A660 PolarHBondContact O-N 2.94Å; L658-I661 HydrophobicContact CD2-CD1 4.11Å; L658-I661 CarbonylContact O-C 3.55Å; L658-I661 WeakPolarHBondContact O-CG1 3.23Å; L658-I661 PolarHBondContact O-N 2.9Å; L658-I661 VanDerWaalsContact O-N 3.16Å; L658-G662 PolarHBondContact O-N 3.02Å; L658-V663 CarbonylContact C-O 3.51Å; L658-V663 VanDerWaalsContact C-O 3.31Å; L658-V663 HydrophobicContact CB-CB 4.12Å; L658-V663 HydrophobicContact CB-CG1 4.34Å; L658-V663 HydrophobicContact CD2-CB 4.09Å; L658-V663 HydrophobicContact CD2-CG1 4.06Å; L658-V663 WeakPolarHBondContact O-CA 3.33Å; L658-V663 PolarHBondContact O-N 2.69Å; L658-A665 HydrophobicContact CD1-CB 4.16Å; L658-L688 HydrophobicContact CD1-CD2 3.57Å; L658-L690 HydrophobicContact CD1-CD1 4.32Å; L658-L690 HydrophobicContact CD1-CD2 4.15Å
659	Q	87.4	Confident	88.6	Confident	88 Å²	88	55.2 Å²	55.2	41%	0.411	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-38.4	176.2	-74.9	178.2	-58.4	0	0	111.8	R655 R656 I661 G662	R655-Q659 HydrophobicContact CG-CG 4.26Å; R655-Q659 WeakPolarHBondContact O-CB 3.21Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.39Å; R655-Q659 PolarHBondContact O-N 2.92Å; R656-Q659 PolarHBondContact O-N 2.86Å; Q659-I661 PolarHBondContact O-N 2.72Å; Q659-G662 PolarHBondContact O-N 2.98Å; Q659-G662 VanDerWaalsContact O-N 3.16Å
660	A	86.9	Confident	88.4	Confident	88 Å²	88	53.4 Å²	53.4	73%	0.727	30%	0.296	S	S	*	.	H	α-helix	trans	-63	-19.5	175.8	0	0	0	0	0	113.9	R656 S657 L658	R656-A660 WeakPolarHBondContact O-CB 3.41Å; R656-A660 PolarHBondContact O-N 2.93Å; S657-A660 PolarHBondContact O-N 2.9Å; L658-A660 VanDerWaalsContact C-N 3.33Å; L658-A660 PolarHBondContact O-N 2.94Å
661	I	80.4	Confident	88	Confident	61 Å²	61	56.6 Å²	56.6	31%	0.313	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	17	177.6	66.4	169.4	0	0	0	113.2	I623 K627 S657 L658 Q659 V663	I623-I661 HydrophobicContact CG2-CD1 4.27Å; K627-I661 HydrophobicContact CD-CD1 4.15Å; K627-I661 HydrophobicContact CG-CD1 3.57Å; S657-I661 WeakPolarHBondContact O-CG1 3.42Å; S657-I661 PolarHBondContact O-N 2.91Å; L658-I661 HydrophobicContact CD2-CD1 4.11Å; L658-I661 CarbonylContact O-C 3.55Å; L658-I661 WeakPolarHBondContact O-CG1 3.23Å; L658-I661 PolarHBondContact O-N 2.9Å; L658-I661 VanDerWaalsContact O-N 3.16Å; Q659-I661 PolarHBondContact O-N 2.72Å; I661-V663 HydrophobicContact CD1-CG2 4.27Å; I661-V663 HydrophobicContact CG1-CB 4.47Å; I661-V663 HydrophobicContact CG1-CG2 4.15Å; I661-V663 PolarHBondContact O-N 2.96Å
662	G	80.6	Confident	87.5	Confident	56 Å²	56	60.8 Å²	60.8	58%	0.577	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	21.7	176.5	0	0	0	0	0	115.2	L658 Q659	L658-G662 PolarHBondContact O-N 3.02Å; Q659-G662 PolarHBondContact O-N 2.98Å; Q659-G662 VanDerWaalsContact O-N 3.16Å
663	V	80.8	Confident	87.2	Confident	12 Å²	12	57.5 Å²	57.5	7%	0.073	33%	0.33	C	S	.	.			trans	-105	105.8	174.5	178.4	0	0	0	0	109.8	I630 L658 I661	I630-V663 HydrophobicContact CD1-CG1 4.12Å; I630-V663 HydrophobicContact CD1-CG2 4.44Å; L658-V663 CarbonylContact C-O 3.51Å; L658-V663 VanDerWaalsContact C-O 3.31Å; L658-V663 HydrophobicContact CB-CB 4.12Å; L658-V663 HydrophobicContact CB-CG1 4.34Å; L658-V663 HydrophobicContact CD2-CB 4.09Å; L658-V663 HydrophobicContact CD2-CG1 4.06Å; L658-V663 WeakPolarHBondContact O-CA 3.33Å; L658-V663 PolarHBondContact O-N 2.69Å; I661-V663 HydrophobicContact CD1-CG2 4.27Å; I661-V663 HydrophobicContact CG1-CB 4.47Å; I661-V663 HydrophobicContact CG1-CG2 4.15Å; I661-V663 PolarHBondContact O-N 2.96Å
664	N	80.6	Confident	86.9	Confident	121 Å²	121	56 Å²	56	65%	0.647	32%	0.318	S	S	*	.			trans	-73.4	132.4	169.9	-75.6	-32.3	0	0	0	110.6
665	A	86.8	Confident	86.5	Confident	5 Å²	5	59.3 Å²	59.3	4%	0.041	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.8	179	0	0	0	0	0	111.5	L658 L688 L690	L658-A665 HydrophobicContact CD1-CB 4.16Å; A665-L688 CarbonylContact C-O 3.6Å; A665-L688 VanDerWaalsContact CA-O 3.29Å; A665-L688 WeakPolarHBondContact CA-O 3.31Å; A665-L688 HydrophobicContact CB-CB 4.09Å; A665-L688 HydrophobicContact CB-CD2 4.21Å; A665-L688 HydrophobicContact CB-CG 4.41Å; A665-L690 HydrophobicContact CB-CD1 4.13Å; A665-L690 HydrophobicContact CB-CG 4.01Å
666	H	89.5	Confident	86.2	Confident	30 Å²	30	57.3 Å²	57.3	14%	0.139	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	159.6	171.5	-67.2	-106.5	0	0	0	109.9	W680 L688 L689 L690	H666-W680 HydrophobicContact CB-CB 4.02Å; H666-W680 HydrophobicContact CB-CG 4.41Å; H666-W680 AromaticContact CD2-CD1 3.78Å; H666-L688 PolarHBondContact N-O 3.07Å; H666-L689 HydrophobicContact CB-CD1 3.81Å; H666-L690 PolarHBondContact O-N 3.08Å
667	I	92.2	Very high	86	Confident	19 Å²	19	49.4 Å²	49.4	10%	0.097	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.5	-178.8	-73.2	180	0	0	0	110.2	V651 L652 R655 V669 N676 L690	V651-I667 HydrophobicContact CG1-CB 4.42Å; V651-I667 HydrophobicContact CG1-CD1 3.73Å; V651-I667 HydrophobicContact CG1-CG1 3.71Å; V651-I667 HydrophobicContact CG1-CG2 3.95Å; L652-I667 HydrophobicContact CD2-CD1 4.13Å; R655-I667 HydrophobicContact CB-CD1 4.13Å; R655-I667 HydrophobicContact CG-CD1 4.33Å; I667-V669 HydrophobicContact CG2-CG1 3.85Å; I667-V669 HydrophobicContact CG2-CG2 4.24Å; I667-N676 WeakPolarHBondContact O-CB 3.43Å; I667-N676 PolarHBondContact O-ND2 3.07Å; I667-L690 WeakPolarHBondContact CA-O 3.27Å; I667-L690 HydrophobicContact CG1-CB 4.37Å; I667-L690 HydrophobicContact CG1-CD1 4.46Å
668	C	91.6	Very high	85.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	102	163.3	-166	0	0	0	0	110.1	C673 V677 L689 L690 V691 V695	C668-C673 HydrophobicContact CB-CB 4.31Å; C668-C673 VanDerWaalsContact SG-C 3.54Å; C668-C673 PolarHBondContact SG-O 3.47Å; C668-V677 HydrophobicContact CB-CG2 4Å; C668-L689 HydrophobicContact CB-CD1 4.31Å; C668-L690 PolarHBondContact N-O 3.13Å; C668-V691 HydrophobicContact CB-CG1 4.05Å; C668-V691 VanDerWaalsContact O-CA 3.29Å; C668-V691 WeakPolarHBondContact O-CA 3.46Å; C668-V691 WeakPolarHBondContact O-CB 3.48Å; C668-V695 WeakPolarHBondContact O-CG2 3.47Å
669	V	90.4	Very high	85.4	Confident	42 Å²	42	52.8 Å²	52.8	26%	0.255	33%	0.328	S	S	.	.			trans	-113.7	-5.8	-178.6	-66.8	0	0	0	0	114.1	V651 I667 T692	V651-V669 HydrophobicContact CB-CG1 4.1Å; V651-V669 HydrophobicContact CG1-CG1 3.93Å; V651-V669 HydrophobicContact CG2-CG1 4.06Å; I667-V669 HydrophobicContact CG2-CG1 3.85Å; I667-V669 HydrophobicContact CG2-CG2 4.24Å; V669-T692 HydrophobicContact CG1-CG2 4.09Å
670	S	89.2	Confident	85.3	Confident	52 Å²	52	48.6 Å²	48.6	36%	0.364	31%	0.309	S	S	.	.	S	Bend	trans	-154	167.3	176.9	70.8	0	0	0	0	110.3	A672 C673	S670-A672 PolarHBondContact O-N 3.29Å; S670-C673 WeakPolarHBondContact O-CB 3.36Å; S670-C673 PolarHBondContact O-N 3.38Å
671	E	83.6	Confident	85	Confident	96 Å²	96	48.2 Å²	48.2	45%	0.449	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-61.8	-29	-178.7	-52	-143.5	106	0	0	113.1	C673 Y674 R698	E671-C673 PolarHBondContact O-N 3.09Å; E671-Y674 VanDerWaalsContact CA-CE2 3.49Å; E671-Y674 HydrophobicContact CB-CD2 3.96Å; E671-Y674 HydrophobicContact CB-CE2 3.44Å; E671-Y674 VanDerWaalsContact CB-CE2 3.44Å; E671-Y674 HydrophobicContact CG-CE2 3.71Å; E671-Y674 WeakPolarHBondContact CG-OH 3.4Å; E671-Y674 WeakPolarHBondContact O-CD2 3.39Å; E671-Y674 PolarHBondContact O-N 3.06Å; E671-Y674 VanDerWaalsContact O-N 3.15Å; E671-Y674 VanDerWaalsContact OE1-CE2 3.27Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.47Å; E671-Y674 PolarHBondContact OE1-OH 2.75Å; E671-R698 WeakPolarHBondContact OE1-CD 3.27Å; E671-R698 IonicContact OE1-CZ 3.63Å; E671-R698 IonicContact OE1-NE 2.75Å; E671-R698 IonicContact OE1-NH1 3.52Å; E671-R698 PolarHBondContact OE1-NH1 3.37Å; E671-R698 IonicContact OE2-NH1 3.81Å; E671-R698 PolarHBondContact OE2-NH1 2.85Å
672	A	84.4	Confident	84.9	Confident	88 Å²	88	53.3 Å²	53.3	73%	0.727	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.9	-19	173.9	0	0	0	0	0	113	S670	S670-A672 PolarHBondContact O-N 3.29Å
673	C	85.3	Confident	84.3	Confident	27 Å²	27	55.7 Å²	55.7	18%	0.182	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-95.8	9.1	177.4	-57.6	0	0	0	0	113.7	C668 S670 E671 S675 N676	C668-C673 HydrophobicContact CB-CB 4.31Å; C668-C673 VanDerWaalsContact SG-C 3.54Å; C668-C673 PolarHBondContact SG-O 3.47Å; S670-C673 WeakPolarHBondContact O-CB 3.36Å; S670-C673 PolarHBondContact O-N 3.38Å; E671-C673 PolarHBondContact O-N 3.09Å; C673-S675 PolarHBondContact O-N 3.15Å; C673-N676 VanDerWaalsContact O-CB 3.27Å; C673-N676 WeakPolarHBondContact O-CB 3.38Å; C673-N676 PolarHBondContact O-N 2.9Å; C673-N676 VanDerWaalsContact O-N 3.08Å
674	Y	86.1	Confident	83.5	Confident	67 Å²	67	56.9 Å²	56.9	26%	0.263	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-25.6	178.3	-70.1	-38	0	0	0	113.3	E671 N676 V677 V695 R698 L699	E671-Y674 VanDerWaalsContact CA-CE2 3.49Å; E671-Y674 HydrophobicContact CB-CD2 3.96Å; E671-Y674 HydrophobicContact CB-CE2 3.44Å; E671-Y674 VanDerWaalsContact CB-CE2 3.44Å; E671-Y674 HydrophobicContact CG-CE2 3.71Å; E671-Y674 WeakPolarHBondContact CG-OH 3.4Å; E671-Y674 WeakPolarHBondContact O-CD2 3.39Å; E671-Y674 PolarHBondContact O-N 3.06Å; E671-Y674 VanDerWaalsContact O-N 3.15Å; E671-Y674 VanDerWaalsContact OE1-CE2 3.27Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.47Å; E671-Y674 PolarHBondContact OE1-OH 2.75Å; Y674-N676 PolarHBondContact O-N 3.25Å; Y674-V677 WeakPolarHBondContact O-CB 3.48Å; Y674-V677 PolarHBondContact O-N 3.33Å; Y674-V677 VanDerWaalsContact O-N 3.13Å; Y674-V695 HydrophobicContact CE1-CB 4.11Å; Y674-V695 HydrophobicContact CE1-CG1 4.24Å; Y674-R698 WeakPolarHBondContact OH-CB 3.04Å; Y674-L699 HydrophobicContact CD1-CD1 4.23Å; Y674-L699 HydrophobicContact CE1-CD1 4.2Å
675	S	83.6	Confident	82.3	Confident	75 Å²	75	55.1 Å²	55.1	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-53.6	-41	169.1	45.2	0	0	0	0	112.4	C673 V677 A678 E679	C673-S675 PolarHBondContact O-N 3.15Å; S675-V677 PolarHBondContact O-N 3.24Å; S675-A678 CarbonylContact O-C 3.59Å; S675-A678 PolarHBondContact O-N 3.47Å; S675-A678 VanDerWaalsContact O-N 3.12Å; S675-E679 PolarHBondContact O-N 2.92Å
676	N	84	Confident	81.2	Confident	47 Å²	47	57.6 Å²	57.6	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-24.4	-179.4	-54.5	-0.6	0	0	0	112.3	I667 C673 Y674 E679 W680	I667-N676 WeakPolarHBondContact O-CB 3.43Å; I667-N676 PolarHBondContact O-ND2 3.07Å; C673-N676 VanDerWaalsContact O-CB 3.27Å; C673-N676 WeakPolarHBondContact O-CB 3.38Å; C673-N676 PolarHBondContact O-N 2.9Å; C673-N676 VanDerWaalsContact O-N 3.08Å; Y674-N676 PolarHBondContact O-N 3.25Å; N676-E679 PolarHBondContact O-N 3.26Å; N676-W680 VanDerWaalsContact O-CB 3.28Å; N676-W680 WeakPolarHBondContact O-CB 3.46Å; N676-W680 PolarHBondContact O-N 3.09Å
677	V	86.1	Confident	80.5	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	32%	0.324	C	S	.	.	H	α-helix	trans	-74.4	-43.7	176.3	-171.3	0	0	0	0	110.3	C668 Y674 S675 E679 W680 L681 L689 L699	C668-V677 HydrophobicContact CB-CG2 4Å; Y674-V677 WeakPolarHBondContact O-CB 3.48Å; Y674-V677 PolarHBondContact O-N 3.33Å; Y674-V677 VanDerWaalsContact O-N 3.13Å; S675-V677 PolarHBondContact O-N 3.24Å; V677-E679 PolarHBondContact O-N 2.82Å; V677-W680 HydrophobicContact CG1-CE3 4Å; V677-W680 HydrophobicContact CG1-CZ3 4.28Å; V677-W680 PolarHBondContact O-N 3.12Å; V677-L681 HydrophobicContact CG1-CD1 4.39Å; V677-L681 WeakPolarHBondContact O-CB 3.27Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.37Å; V677-L681 PolarHBondContact O-N 3.17Å; V677-L681 VanDerWaalsContact O-N 3.07Å; V677-L689 HydrophobicContact CG1-CD2 4.3Å; V677-L689 HydrophobicContact CG2-CD2 4.28Å; V677-L699 HydrophobicContact CG2-CD1 3.74Å
678	A	82.1	Confident	80.3	Confident	59 Å²	59	56 Å²	56	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-71.8	-12.8	173.9	0	0	0	0	0	113.1	S675 R682	S675-A678 CarbonylContact O-C 3.59Å; S675-A678 PolarHBondContact O-N 3.47Å; S675-A678 VanDerWaalsContact O-N 3.12Å; A678-R682 PolarHBondContact O-NE 3.05Å; A678-R682 PolarHBondContact O-NH2 3.48Å
679	E	81.9	Confident	80.3	Confident	66 Å²	66	56 Å²	56	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-86.8	-50.1	169.6	-175.5	169	-125.6	0	0	111.9	S675 N676 V677 L681 R682 Q683	S675-E679 PolarHBondContact O-N 2.92Å; N676-E679 PolarHBondContact O-N 3.26Å; V677-E679 PolarHBondContact O-N 2.82Å; E679-L681 VanDerWaalsContact C-N 3.35Å; E679-L681 PolarHBondContact O-N 3.14Å; E679-R682 WeakPolarHBondContact O-CA 3.07Å; E679-R682 WeakPolarHBondContact O-CB 3.44Å; E679-R682 PolarHBondContact O-N 3.36Å; E679-Q683 HydrophobicContact CG-CG 4.08Å; E679-Q683 VanDerWaalsContact CG-NE2 3.35Å; E679-Q683 VanDerWaalsContact CG-OE1 3.23Å; E679-Q683 PolarHBondContact O-N 3.23Å; E679-Q683 PolarHBondContact OE1-NE2 3.39Å
680	W	86.1	Confident	80.5	Confident	1 Å²	1	54 Å²	54	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-49.2	-52.4	173.1	165.6	60.2	0	0	0	112	P640 V642 H666 N676 V677 R682 Q683 S684 G687 L689 C701 I704	P640-W680 HydrophobicContact CB-CH2 4.13Å; P640-W680 HydrophobicContact CB-CZ2 3.63Å; V642-W680 HydrophobicContact CG2-CH2 3.63Å; V642-W680 HydrophobicContact CG2-CZ2 4.18Å; V642-W680 HydrophobicContact CG2-CZ3 4.43Å; H666-W680 HydrophobicContact CB-CB 4.02Å; H666-W680 HydrophobicContact CB-CG 4.41Å; H666-W680 AromaticContact CD2-CD1 3.78Å; N676-W680 VanDerWaalsContact O-CB 3.28Å; N676-W680 WeakPolarHBondContact O-CB 3.46Å; N676-W680 PolarHBondContact O-N 3.09Å; V677-W680 HydrophobicContact CG1-CE3 4Å; V677-W680 HydrophobicContact CG1-CZ3 4.28Å; V677-W680 PolarHBondContact O-N 3.12Å; W680-R682 PolarHBondContact O-N 3.47Å; W680-Q683 PolarHBondContact O-N 2.8Å; W680-S684 CarbonylContact O-C 3.59Å; W680-S684 VanDerWaalsContact O-C 3.32Å; W680-S684 PolarHBondContact O-N 3.26Å; W680-G687 VanDerWaalsContact NE1-C 3.34Å; W680-G687 PolarHBondContact NE1-O 3.47Å; W680-L689 HydrophobicContact CD2-CB 3.81Å; W680-L689 HydrophobicContact CD2-CD1 4.46Å; W680-L689 HydrophobicContact CD2-CD2 4.28Å; W680-L689 HydrophobicContact CD2-CG 4.4Å; W680-L689 HydrophobicContact CE3-CB 4.16Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.39Å; W680-L689 HydrophobicContact CG-CB 4.28Å; W680-L689 HydrophobicContact CG-CD1 4.46Å; W680-L689 HydrophobicContact CH2-CB 4.24Å; W680-L689 HydrophobicContact CH2-CD2 4.33Å; W680-L689 HydrophobicContact CZ2-CB 3.87Å; W680-L689 HydrophobicContact CZ3-CB 4.38Å; W680-L689 HydrophobicContact CZ3-CD2 3.84Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.89Å; W680-I704 HydrophobicContact CH2-CG2 4.31Å
681	L	80.3	Confident	80.8	Confident	80 Å²	80	51.6 Å²	51.6	42%	0.419	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-14.7	177.8	-70.8	172.2	0	0	0	114.7	V677 E679 C701	V677-L681 HydrophobicContact CG1-CD1 4.39Å; V677-L681 WeakPolarHBondContact O-CB 3.27Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.37Å; V677-L681 PolarHBondContact O-N 3.17Å; V677-L681 VanDerWaalsContact O-N 3.07Å; E679-L681 VanDerWaalsContact C-N 3.35Å; E679-L681 PolarHBondContact O-N 3.14Å; L681-C701 WeakPolarHBondContact CD2-O 3.46Å
682	R	77.1	Confident	81.3	Confident	167 Å²	167	47.2 Å²	47.2	63%	0.63	27%	0.272	S	S	*	.	H	α-helix	trans	-108.5	-39.1	-175.3	-163.4	-159.8	-38.2	134.3	16.3	112.7	A678 E679 W680	A678-R682 PolarHBondContact O-NE 3.05Å; A678-R682 PolarHBondContact O-NH2 3.48Å; E679-R682 WeakPolarHBondContact O-CA 3.07Å; E679-R682 WeakPolarHBondContact O-CB 3.44Å; E679-R682 PolarHBondContact O-N 3.36Å; W680-R682 PolarHBondContact O-N 3.47Å
683	Q	68	Low	81.7	Confident	107 Å²	107	43.2 Å²	43.2	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-97.2	-25.6	-174.4	-71.4	175.6	-2	0	0	113.3	E679 W680	E679-Q683 HydrophobicContact CG-CG 4.08Å; E679-Q683 VanDerWaalsContact CG-NE2 3.35Å; E679-Q683 VanDerWaalsContact CG-OE1 3.23Å; E679-Q683 PolarHBondContact O-N 3.23Å; E679-Q683 PolarHBondContact OE1-NE2 3.39Å; W680-Q683 PolarHBondContact O-N 2.8Å
684	S	63.6	Low	82	Confident	37 Å²	37	46.6 Å²	46.6	26%	0.259	26%	0.255	S	S	.	.			trans	-146.7	79.2	-178.4	-70.4	0	0	0	0	111.2	W680 S686 G687	W680-S684 CarbonylContact O-C 3.59Å; W680-S684 VanDerWaalsContact O-C 3.32Å; W680-S684 PolarHBondContact O-N 3.26Å; S684-S686 PolarHBondContact O-N 3.21Å; S684-S686 VanDerWaalsContact O-N 3.16Å; S684-G687 WeakPolarHBondContact O-CA 3.22Å; S684-G687 PolarHBondContact O-N 3.38Å
685	P	56.8	Low	82.2	Confident	84 Å²	84	43.5 Å²	43.5	55%	0.545	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.8	174	-25.2	35.5	0	0	0	113.7	E639 P640	E639-P685 CarbonylContact C-O 3.49Å; P640-P685 WeakPolarHBondContact CA-O 3.31Å; P640-P685 VanDerWaalsContact CB-O 3.22Å; P640-P685 WeakPolarHBondContact CB-O 3.47Å; P640-P685 VanDerWaalsContact CD-O 3.22Å; P640-P685 WeakPolarHBondContact CD-O 3.32Å
686	S	62.4	Low	82.6	Confident	56 Å²	56	40 Å²	40	39%	0.392	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	12.2	173.3	57.6	0	0	0	0	114.4	N638 S684	N638-S686 VanDerWaalsContact C-CB 3.43Å; N638-S686 WeakPolarHBondContact O-CA 3.27Å; N638-S686 VanDerWaalsContact O-CB 3.26Å; N638-S686 WeakPolarHBondContact O-CB 3.49Å; N638-S686 WeakPolarHBondContact OD1-CB 3.41Å; N638-S686 PolarHBondContact OD1-OG 2.81Å; S684-S686 PolarHBondContact O-N 3.21Å; S684-S686 VanDerWaalsContact O-N 3.16Å
687	G	76.1	Confident	82.7	Confident	9 Å²	9	41.8 Å²	41.8	9%	0.093	23%	0.232	C	C	.	.			trans	-81.7	159.2	-176.7	0	0	0	0	0	113.2	A641 W680 S684	A641-G687 PolarHBondContact N-O 3.02Å; W680-G687 VanDerWaalsContact NE1-C 3.34Å; W680-G687 PolarHBondContact NE1-O 3.47Å; S684-G687 WeakPolarHBondContact O-CA 3.22Å; S684-G687 PolarHBondContact O-N 3.38Å
688	L	87.4	Confident	82.6	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.6	172.2	-173	68.5	0	0	0	110.8	A641 M643 L658 A665 H666 L690 I708	A641-L688 HydrophobicContact CB-CD1 3.69Å; M643-L688 HydrophobicContact CB-CD1 4.08Å; M643-L688 HydrophobicContact CE-CD1 4.29Å; M643-L688 HydrophobicContact CE-CD2 3.98Å; L658-L688 HydrophobicContact CD1-CD2 3.57Å; A665-L688 CarbonylContact C-O 3.6Å; A665-L688 VanDerWaalsContact CA-O 3.29Å; A665-L688 WeakPolarHBondContact CA-O 3.31Å; A665-L688 HydrophobicContact CB-CB 4.09Å; A665-L688 HydrophobicContact CB-CD2 4.21Å; A665-L688 HydrophobicContact CB-CG 4.41Å; H666-L688 PolarHBondContact N-O 3.07Å; L688-L690 HydrophobicContact CD2-CD2 3.64Å; L688-L690 HydrophobicContact CG-CD2 4.04Å; L688-I708 HydrophobicContact CD1-CD1 4.38Å
689	L	91.9	Very high	82.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.3	168.8	-177.9	71.7	0	0	0	110.3	A641 V642 M643 H666 C668 V677 W680 V691 L699	A641-L689 PolarHBondContact O-N 3.24Å; V642-L689 HydrophobicContact CG2-CD2 4.48Å; M643-L689 PolarHBondContact N-O 3.43Å; H666-L689 HydrophobicContact CB-CD1 3.81Å; C668-L689 HydrophobicContact CB-CD1 4.31Å; V677-L689 HydrophobicContact CG1-CD2 4.3Å; V677-L689 HydrophobicContact CG2-CD2 4.28Å; W680-L689 HydrophobicContact CD2-CB 3.81Å; W680-L689 HydrophobicContact CD2-CD1 4.46Å; W680-L689 HydrophobicContact CD2-CD2 4.28Å; W680-L689 HydrophobicContact CD2-CG 4.4Å; W680-L689 HydrophobicContact CE3-CB 4.16Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.39Å; W680-L689 HydrophobicContact CG-CB 4.28Å; W680-L689 HydrophobicContact CG-CD1 4.46Å; W680-L689 HydrophobicContact CH2-CB 4.24Å; W680-L689 HydrophobicContact CH2-CD2 4.33Å; W680-L689 HydrophobicContact CZ2-CB 3.87Å; W680-L689 HydrophobicContact CZ3-CB 4.38Å; W680-L689 HydrophobicContact CZ3-CD2 3.84Å; L689-V691 HydrophobicContact CD2-CG1 3.81Å; L689-V691 HydrophobicContact CG-CG1 3.75Å; L689-L699 HydrophobicContact CD2-CD2 4.38Å
690	L	94.1	Very high	83	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.3	172.9	-53.2	179.7	0	0	0	110.4	M643 V651 L654 R655 L658 A665 H666 I667 C668 L688	M643-L690 HydrophobicContact CB-CD2 3.97Å; M643-L690 HydrophobicContact CG-CD2 4.22Å; M643-L690 HydrophobicContact SD-CD2 3.64Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.12Å; V651-L690 HydrophobicContact CG2-CB 4.47Å; L654-L690 HydrophobicContact CD2-CD2 4.35Å; R655-L690 HydrophobicContact CB-CD1 3.93Å; L658-L690 HydrophobicContact CD1-CD1 4.32Å; L658-L690 HydrophobicContact CD1-CD2 4.15Å; A665-L690 HydrophobicContact CB-CD1 4.13Å; A665-L690 HydrophobicContact CB-CG 4.01Å; H666-L690 PolarHBondContact O-N 3.08Å; I667-L690 WeakPolarHBondContact CA-O 3.27Å; I667-L690 HydrophobicContact CG1-CB 4.37Å; I667-L690 HydrophobicContact CG1-CD1 4.46Å; C668-L690 PolarHBondContact N-O 3.13Å; L688-L690 HydrophobicContact CD2-CD2 3.64Å; L688-L690 HydrophobicContact CG-CD2 4.04Å
691	V	95.6	Very high	82.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	164.9	-179.4	-52.8	0	0	0	0	113.2	V642 M643 V644 C645 C668 L689 V695 V696 L699	V642-V691 HydrophobicContact CG1-CG1 4.44Å; V642-V691 HydrophobicContact CG1-CG2 3.97Å; M643-V691 PolarHBondContact O-N 3.39Å; V644-V691 WeakPolarHBondContact CA-O 3.25Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.24Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; C645-V691 PolarHBondContact N-O 3.41Å; C668-V691 HydrophobicContact CB-CG1 4.05Å; C668-V691 VanDerWaalsContact O-CA 3.29Å; C668-V691 WeakPolarHBondContact O-CA 3.46Å; C668-V691 WeakPolarHBondContact O-CB 3.48Å; L689-V691 HydrophobicContact CD2-CG1 3.81Å; L689-V691 HydrophobicContact CG-CG1 3.75Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.28Å; V691-V696 HydrophobicContact CG2-CG2 4.29Å; V691-L699 HydrophobicContact CG1-CD2 3.89Å; V691-L699 HydrophobicContact CG2-CD2 4.39Å
692	T	94.6	Very high	82.9	Confident	4 Å²	4	51 Å²	51	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	160.5	167.2	49.8	0	0	0	0	111.3	V651 V669 D694 V695	V651-T692 HydrophobicContact CG2-CG2 4.16Å; V669-T692 HydrophobicContact CG1-CG2 4.09Å; T692-D694 PolarHBondContact O-N 3Å; T692-V695 VanDerWaalsContact O-CG2 3.31Å; T692-V695 WeakPolarHBondContact O-CG2 3.43Å; T692-V695 PolarHBondContact O-N 3.23Å
693	D	92.8	Very high	83.3	Confident	5 Å²	5	48 Å²	48	3%	0.027	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-19.1	175.3	-79.7	-61.8	0	0	0	114.6	P697 A713 R718 R722	D693-P697 WeakPolarHBondContact O-CD 3.34Å; D693-A713 WeakPolarHBondContact OD2-CB 3.03Å; D693-R718 HydrophobicContact CB-CB 4.46Å; D693-R722 VanDerWaalsContact OD1-CG 3.26Å; D693-R722 WeakPolarHBondContact OD1-CG 3.33Å; D693-R722 IonicContact OD1-CZ 3.97Å; D693-R722 IonicContact OD1-NE 3.55Å; D693-R722 PolarHBondContact OD1-NE 2.97Å; D693-R722 IonicContact OD1-NH2 3.28Å; D693-R722 IonicContact OD2-CZ 3.65Å; D693-R722 IonicContact OD2-NE 2.74Å; D693-R722 PolarHBondContact OD2-NE 2.89Å; D693-R722 IonicContact OD2-NH2 2.6Å; D693-R722 PolarHBondContact OD2-NH2 3.27Å
694	D	91.1	Very high	84.1	Confident	98 Å²	98	42.9 Å²	42.9	52%	0.524	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-30.7	-177.1	-61	-68.6	0	0	0	114.1	T692 P697 R718	T692-D694 PolarHBondContact O-N 3Å; D694-P697 WeakPolarHBondContact O-CD 3.31Å; D694-R718 IonicContact OD1-CZ 2.78Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.44Å; D694-R718 PolarHBondContact OD1-NH1 3.3Å; D694-R718 IonicContact OD1-NH2 2.75Å; D694-R718 PolarHBondContact OD1-NH2 2.99Å; D694-R718 IonicContact OD2-NH2 3.74Å; D694-R718 PolarHBondContact OD2-NH2 2.69Å
695	V	91.8	Very high	85.2	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-26.4	176.8	-67.3	0	0	0	0	112.7	C668 Y674 V691 T692 R698 L699	C668-V695 WeakPolarHBondContact O-CG2 3.47Å; Y674-V695 HydrophobicContact CE1-CB 4.11Å; Y674-V695 HydrophobicContact CE1-CG1 4.24Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.28Å; T692-V695 VanDerWaalsContact O-CG2 3.31Å; T692-V695 WeakPolarHBondContact O-CG2 3.43Å; T692-V695 PolarHBondContact O-N 3.23Å; V695-R698 PolarHBondContact O-N 2.99Å; V695-R698 VanDerWaalsContact O-N 3.11Å; V695-L699 HydrophobicContact CB-CD1 4.43Å; V695-L699 HydrophobicContact CG2-CD1 4.32Å; V695-L699 WeakPolarHBondContact O-CB 3.35Å; V695-L699 PolarHBondContact O-N 3.23Å; V695-L699 VanDerWaalsContact O-N 3.07Å
696	V	91.1	Very high	86.8	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-44.9	-47	-177.6	168.8	0	0	0	0	114	V644 V691 R698 L699 N721 L725	V644-V696 HydrophobicContact CG1-CG2 4.31Å; V644-V696 HydrophobicContact CG2-CG2 4.39Å; V691-V696 HydrophobicContact CG2-CG2 4.29Å; V696-R698 PolarHBondContact O-N 3.05Å; V696-L699 PolarHBondContact O-N 3.1Å; V696-N721 WeakPolarHBondContact CG1-O 3.06Å; V696-L725 HydrophobicContact CG1-CG 4.49Å
697	P	85.2	Confident	88.3	Confident	83 Å²	83	35.8 Å²	35.8	54%	0.539	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-63.2	-12.5	-174.9	-19.9	31.5	0	0	0	115.6	D693 D694	D693-P697 WeakPolarHBondContact O-CD 3.34Å; D694-P697 WeakPolarHBondContact O-CD 3.31Å
698	R	84.4	Confident	89.2	Confident	164 Å²	164	35.3 Å²	35.3	62%	0.619	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-128.1	-3.7	-178.5	-72.1	174.7	173.4	-170.6	0.6	113	E671 Y674 V695 V696	E671-R698 WeakPolarHBondContact OE1-CD 3.27Å; E671-R698 IonicContact OE1-CZ 3.63Å; E671-R698 IonicContact OE1-NE 2.75Å; E671-R698 IonicContact OE1-NH1 3.52Å; E671-R698 PolarHBondContact OE1-NH1 3.37Å; E671-R698 IonicContact OE2-NH1 3.81Å; E671-R698 PolarHBondContact OE2-NH1 2.85Å; Y674-R698 WeakPolarHBondContact OH-CB 3.04Å; V695-R698 PolarHBondContact O-N 2.99Å; V695-R698 VanDerWaalsContact O-N 3.11Å; V696-R698 PolarHBondContact O-N 3.05Å
699	L	87.6	Confident	89.6	Confident	17 Å²	17	35 Å²	35	9%	0.089	18%	0.177	C	C	.	.			trans	-69	129.3	-175.2	-162	71.3	0	0	0	111	Y674 V677 L689 V691 V695 V696 C701 L725	Y674-L699 HydrophobicContact CD1-CD1 4.23Å; Y674-L699 HydrophobicContact CE1-CD1 4.2Å; V677-L699 HydrophobicContact CG2-CD1 3.74Å; L689-L699 HydrophobicContact CD2-CD2 4.38Å; V691-L699 HydrophobicContact CG1-CD2 3.89Å; V691-L699 HydrophobicContact CG2-CD2 4.39Å; V695-L699 HydrophobicContact CB-CD1 4.43Å; V695-L699 HydrophobicContact CG2-CD1 4.32Å; V695-L699 WeakPolarHBondContact O-CB 3.35Å; V695-L699 PolarHBondContact O-N 3.23Å; V695-L699 VanDerWaalsContact O-N 3.07Å; V696-L699 PolarHBondContact O-N 3.1Å; L699-C701 WeakPolarHBondContact CD2-SG 3.49Å; L699-L725 HydrophobicContact CB-CD2 4.02Å; L699-L725 HydrophobicContact CD2-CD2 3.92Å; L699-L725 HydrophobicContact CG-CD2 4.38Å
700	K	84.5	Confident	89.7	Confident	182 Å²	182	35.4 Å²	35.4	79%	0.791	18%	0.179	S	C	*	.			trans	-114.7	73.1	-177.4	-64.9	-176.8	-176.4	177.1	0	111.3	G702	K700-G702 VanDerWaalsContact C-N 3.26Å; K700-G702 PolarHBondContact O-N 2.97Å
701	C	81.5	Confident	89.6	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.034	19%	0.186	C	C	.	.			trans	-74.9	-4.5	-178.8	-65.8	0	0	0	0	115.3	V642 W680 L681 L699 I704	V642-C701 HydrophobicContact CG2-CB 4.32Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.89Å; L681-C701 WeakPolarHBondContact CD2-O 3.46Å; L699-C701 WeakPolarHBondContact CD2-SG 3.49Å; C701-I704 HydrophobicContact CB-CG2 3.58Å
702	G	83	Confident	89.4	Confident	41 Å²	41	37.1 Å²	37.1	42%	0.423	19%	0.189	S	C	.	.			trans	67.4	-147.7	-165.2	0	0	0	0	0	110.6	K700 A728	K700-G702 VanDerWaalsContact C-N 3.26Å; K700-G702 PolarHBondContact O-N 2.97Å; G702-A728 WeakPolarHBondContact O-CB 2.99Å
703	K	85	Confident	89.2	Confident	104 Å²	104	37.2 Å²	37.2	45%	0.452	19%	0.19	S	C	.	.			trans	-80.7	132.3	176.6	-66.7	-170.2	176.4	-174.3	0	110.9	A728 N729 S732	K703-A728 WeakPolarHBondContact CE-O 3.44Å; K703-A728 HydrophobicContact CG-CB 4.3Å; K703-N729 WeakPolarHBondContact CA-OD1 3.42Å; K703-S732 VanDerWaalsContact NZ-CB 3.33Å; K703-S732 PolarHBondContact NZ-OG 2.98Å
704	I	86.4	Confident	89	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.			trans	-124.6	110.7	-179.6	55.2	133.8	0	0	0	111.7	V642 W680 C701 L706 L707 L725 F726 N729	V642-I704 HydrophobicContact CG2-CB 4.48Å; V642-I704 HydrophobicContact CG2-CG2 3.75Å; W680-I704 HydrophobicContact CH2-CG2 4.31Å; C701-I704 HydrophobicContact CB-CG2 3.58Å; I704-L706 VanDerWaalsContact C-N 3.35Å; I704-L707 HydrophobicContact CD1-CB 4.11Å; I704-L707 HydrophobicContact CD1-CD1 4.36Å; I704-L725 HydrophobicContact CD1-CB 3.58Å; I704-L725 HydrophobicContact CG1-CB 4.12Å; I704-F726 HydrophobicContact CD1-CD1 4Å; I704-F726 HydrophobicContact CD1-CE1 3.92Å; I704-F726 HydrophobicContact CD1-CG 4.5Å; I704-F726 HydrophobicContact CD1-CZ 4.36Å; I704-F726 HydrophobicContact CG1-CD1 4.15Å; I704-F726 HydrophobicContact CG1-CE1 4.38Å; I704-F726 WeakPolarHBondContact O-CD1 3.49Å; I704-F726 WeakPolarHBondContact O-CE1 3.47Å; I704-N729 PolarHBondContact N-OD1 3.33Å; I704-N729 PolarHBondContact O-ND2 3.3Å
705	P	86.1	Confident	88.9	Confident	21 Å²	21	42.5 Å²	42.5	14%	0.136	22%	0.224	C	C	.	.	S	Bend	trans	-74.6	-21.4	179.9	28.7	-35.4	0	0	0	113.7	E639 P640 G739 Q740	E639-P705 HydrophobicContact CB-CG 3.55Å; E639-P705 HydrophobicContact CG-CB 4.27Å; E639-P705 HydrophobicContact CG-CG 3.6Å; P640-P705 VanDerWaalsContact O-CD 3.31Å; P640-P705 WeakPolarHBondContact O-CD 3.39Å; P705-G739 CarbonylContact O-C 3.32Å; P705-G739 VanDerWaalsContact O-CA 3.3Å; P705-G739 WeakPolarHBondContact O-CA 3.48Å; P705-Q740 PolarHBondContact O-N 3.23Å
706	L	89.5	Confident	88.9	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.5	-180	-179.5	60.1	0	0	0	112.1	L629 R633 A641 V642 I704 I708 Q740 V742	L629-L706 HydrophobicContact CD2-CD1 4.45Å; L629-L706 HydrophobicContact CD2-CD2 4.1Å; L629-L706 HydrophobicContact CG-CD2 4.16Å; R633-L706 HydrophobicContact CG-CD2 4.2Å; A641-L706 HydrophobicContact CB-CB 4.21Å; A641-L706 HydrophobicContact CB-CD2 4.08Å; A641-L706 HydrophobicContact CB-CG 4.28Å; V642-L706 PolarHBondContact N-O 3Å; V642-L706 VanDerWaalsContact N-O 3.09Å; I704-L706 VanDerWaalsContact C-N 3.35Å; L706-I708 HydrophobicContact CD1-CG1 4.21Å; L706-I708 HydrophobicContact CD2-CD1 4.09Å; L706-I708 HydrophobicContact CD2-CG1 4.19Å; L706-I708 HydrophobicContact CG-CD1 4.37Å; L706-I708 HydrophobicContact CG-CG1 3.95Å; L706-Q740 WeakPolarHBondContact CA-O 3.45Å; L706-Q740 HydrophobicContact CD1-CB 4.2Å; L706-Q740 HydrophobicContact CD1-CG 4.45Å; L706-V742 HydrophobicContact CD1-CG2 3.89Å
707	L	94.3	Very high	88.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.8	169.9	-176.6	61.7	0	0	0	109.5	V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742	V642-L707 HydrophobicContact CB-CD1 4.14Å; V642-L707 HydrophobicContact CG1-CD1 4.23Å; V642-L707 CarbonylContact O-C 3.52Å; V642-L707 WeakPolarHBondContact O-CA 3.33Å; V644-L707 HydrophobicContact CG2-CD1 3.92Å; I704-L707 HydrophobicContact CD1-CB 4.11Å; I704-L707 HydrophobicContact CD1-CD1 4.36Å; L707-H709 VanDerWaalsContact CD2-NE2 3.34Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.25Å; L707-R722 HydrophobicContact CD2-CB 4.3Å; L707-R722 WeakPolarHBondContact CD2-O 3.08Å; L707-L725 HydrophobicContact CD1-CD1 3.73Å; L707-F726 HydrophobicContact CB-CE1 4.25Å; L707-F726 HydrophobicContact CB-CE2 3.74Å; L707-F726 HydrophobicContact CB-CZ 3.39Å; L707-F726 HydrophobicContact CD2-CD2 4.28Å; L707-F726 HydrophobicContact CD2-CE2 3.6Å; L707-F726 HydrophobicContact CD2-CZ 4.17Å; L707-F726 HydrophobicContact CG-CE2 4.33Å; L707-F726 HydrophobicContact CG-CZ 4.43Å; L707-Q740 PolarHBondContact N-O 3.26Å; L707-S741 CarbonylContact O-C 3.55Å; L707-S741 WeakPolarHBondContact O-CA 3.33Å; L707-V742 PolarHBondContact O-N 3.3Å
708	I	95	Very high	89.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.5	179.1	-49.9	168.3	0	0	0	109.1	L626 L629 V642 M643 V644 L688 L706 Y710 V742 F744	L626-I708 HydrophobicContact CD1-CD1 3.87Å; L629-I708 HydrophobicContact CD2-CD1 3.7Å; L629-I708 HydrophobicContact CD2-CG1 3.92Å; V642-I708 PolarHBondContact O-N 3.37Å; M643-I708 CarbonylContact C-O 3.31Å; M643-I708 VanDerWaalsContact CA-O 3.24Å; M643-I708 WeakPolarHBondContact CA-O 3.41Å; M643-I708 HydrophobicContact CB-CB 4.14Å; M643-I708 HydrophobicContact CE-CB 4.04Å; M643-I708 HydrophobicContact CE-CD1 3.65Å; M643-I708 HydrophobicContact CE-CG1 4.46Å; M643-I708 HydrophobicContact CE-CG2 3.91Å; M643-I708 HydrophobicContact CG-CB 4.03Å; M643-I708 HydrophobicContact CG-CG2 4.29Å; V644-I708 PolarHBondContact N-O 3.26Å; L688-I708 HydrophobicContact CD1-CD1 4.38Å; L706-I708 HydrophobicContact CD1-CG1 4.21Å; L706-I708 HydrophobicContact CD2-CD1 4.09Å; L706-I708 HydrophobicContact CD2-CG1 4.19Å; L706-I708 HydrophobicContact CG-CD1 4.37Å; L706-I708 HydrophobicContact CG-CG1 3.95Å; I708-Y710 PolarHBondContact O-N 2.79Å; I708-V742 CarbonylContact C-O 3.54Å; I708-V742 WeakPolarHBondContact CA-O 3.4Å; I708-F744 HydrophobicContact CG2-CD2 4.25Å; I708-F744 HydrophobicContact CG2-CE2 3.97Å
709	H	95.9	Very high	89.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	93.1	174.4	-57.3	-126.1	0	0	0	106.2	L707 S711 F719 R722 F723 S741 V742 V743 F744	L707-H709 VanDerWaalsContact CD2-NE2 3.34Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.25Å; H709-S711 VanDerWaalsContact C-N 3.34Å; H709-F719 HydrophobicContact CB-CE2 4.23Å; H709-F719 AromaticContact CE1-CE2 3.94Å; H709-F719 AromaticContact CG-CE2 3.94Å; H709-F719 AromaticContact ND1-CD2 3.65Å; H709-F719 AromaticContact ND1-CE2 3.18Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.3Å; H709-F719 AromaticContact ND1-CZ 3.76Å; H709-R722 VanDerWaalsContact ND1-CD 3.33Å; H709-R722 WeakPolarHBondContact ND1-CD 3.18Å; H709-F723 AromaticContact CE1-CD2 3.93Å; H709-F723 AromaticContact CE1-CE2 3.29Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.4Å; H709-F723 AromaticContact CE1-CZ 3.6Å; H709-F723 AromaticContact NE2-CE2 3.8Å; H709-F723 AromaticContact NE2-CZ 3.65Å; H709-S741 PolarHBondContact CD2-OG 3.32Å; H709-S741 PolarHBondContact NE2-OG 3.45Å; H709-V742 PolarHBondContact N-O 2.88Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.25Å; H709-V743 HydrophobicContact CB-CG2 4.22Å; H709-F744 PolarHBondContact O-N 2.82Å
710	Y	94.6	Very high	90	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.035	22%	0.217	C	C	.	.	S	Bend	trans	-66.6	-40.1	-173.9	-171.6	-95.7	0	0	0	111.6	E619 K622 L626 M643 V644 E650 L654 I708 F744	E619-Y710 WeakPolarHBondContact OE2-CE1 3.28Å; E619-Y710 PolarHBondContact OE2-OH 3.43Å; K622-Y710 HydrophobicContact CD-CE1 4.13Å; K622-Y710 HydrophobicContact CD-CE2 4.01Å; K622-Y710 VanDerWaalsContact CE-CE1 3.44Å; K622-Y710 VanDerWaalsContact CE-CZ 3.43Å; K622-Y710 WeakPolarHBondContact CE-O 3.29Å; K622-Y710 HydrophobicContact CG-CE2 4.02Å; K622-Y710 PolarHBondContact NZ-O 3.14Å; L626-Y710 HydrophobicContact CD2-CE2 4.32Å; M643-Y710 HydrophobicContact CE-CD2 4.45Å; M643-Y710 HydrophobicContact SD-CD2 3.84Å; M643-Y710 HydrophobicContact SD-CG 4.15Å; V644-Y710 PolarHBondContact O-N 2.73Å; E650-Y710 HydrophobicContact CG-CD1 4.22Å; E650-Y710 HydrophobicContact CG-CE1 4.38Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.48Å; L654-Y710 HydrophobicContact CD1-CD2 4.48Å; L654-Y710 HydrophobicContact CD1-CE2 3.78Å; L654-Y710 HydrophobicContact CD2-CD1 3.99Å; L654-Y710 HydrophobicContact CD2-CD2 3.55Å; L654-Y710 HydrophobicContact CD2-CE1 4.1Å; L654-Y710 HydrophobicContact CD2-CE2 3.67Å; L654-Y710 HydrophobicContact CD2-CG 3.73Å; L654-Y710 HydrophobicContact CG-CE2 4.4Å; I708-Y710 PolarHBondContact O-N 2.79Å; Y710-F744 HydrophobicContact CD2-CD2 4.12Å; Y710-F744 HydrophobicContact CD2-CE2 4.39Å
711	S	92	Very high	90.4	Very high	22 Å²	22	33 Å²	33	15%	0.154	19%	0.19	C	C	.	.	S	Bend	trans	-141.9	151.9	171.6	-64.7	0	0	0	0	108.8	K622 E650 H709 R722	K622-S711 PolarHBondContact NZ-OG 2.78Å; K622-S711 VanDerWaalsContact NZ-OG 3.16Å; E650-S711 VanDerWaalsContact OE1-CB 3.29Å; E650-S711 WeakPolarHBondContact OE1-CB 3.35Å; E650-S711 PolarHBondContact OE1-OG 2.89Å; H709-S711 VanDerWaalsContact C-N 3.34Å; S711-R722 PolarHBondContact O-NH1 3.31Å; S711-R722 PolarHBondContact O-NH2 2.75Å
712	F	91.7	Very high	91	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.066	19%	0.188	C	C	.	.			trans	-58.1	157.4	178.9	-78.2	-75	0	0	0	112.5	F719 V743 A745 D749 N752 L756	F712-F719 AromaticContact CD1-CD2 3.7Å; F712-F719 HydrophobicContact CD1-CD2 3.7Å; F712-F719 AromaticContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CG 4.46Å; F712-F719 HydrophobicContact CD1-CZ 4.44Å; F712-F719 HydrophobicContact CE1-CD2 4.2Å; F712-F719 AromaticContact CE1-CE2 3.74Å; F712-F719 HydrophobicContact CE1-CE2 3.74Å; F712-F719 HydrophobicContact CE1-CZ 4.12Å; F712-V743 HydrophobicContact CE1-CG1 3.87Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F712-A745 HydrophobicContact CE2-CB 3.57Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; F712-D749 HydrophobicContact CD2-CB 3.8Å; F712-D749 VanDerWaalsContact CD2-CG 3.44Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.42Å; F712-D749 HydrophobicContact CE2-CB 3.62Å; F712-N752 HydrophobicContact CD1-CB 3.66Å; F712-N752 HydrophobicContact CD2-CB 3.97Å; F712-N752 HydrophobicContact CE1-CB 3.65Å; F712-N752 HydrophobicContact CE2-CB 3.93Å; F712-N752 HydrophobicContact CG-CB 3.83Å; F712-N752 HydrophobicContact CZ-CB 3.78Å; F712-L756 HydrophobicContact CE1-CD1 3.8Å; F712-L756 HydrophobicContact CZ-CD1 3.7Å
713	A	90.8	Very high	91.6	Very high	5 Å²	5	30.8 Å²	30.8	4%	0.041	17%	0.168	C	C	.	.			trans	-80.1	150.7	170.8	0	0	0	0	0	109.8	D693 M715 R718 F719	D693-A713 WeakPolarHBondContact OD2-CB 3.03Å; A713-M715 PolarHBondContact O-N 2.65Å; A713-R718 HydrophobicContact CB-CB 3.82Å; A713-F719 HydrophobicContact CB-CB 3.85Å
714	S	86.6	Confident	91.9	Very high	103 Å²	103	26.8 Å²	26.8	72%	0.72	15%	0.153	S	C	*	.	S	Bend	trans	-59.4	-15.9	175.5	55.1	0	0	0	0	114.6
715	M	90.5	Very high	92.2	Very high	111 Å²	111	27.2 Å²	27.2	55%	0.547	16%	0.155	S	C	.	.	S	Bend	trans	-141.3	139.2	175.5	-66.7	-174.8	-74.4	0	0	110.8	A713 A717 R718 F719	A713-M715 PolarHBondContact O-N 2.65Å; M715-A717 PolarHBondContact O-N 3.08Å; M715-A717 VanDerWaalsContact O-N 3.17Å; M715-R718 HydrophobicContact CE-CG 4.27Å; M715-R718 PolarHBondContact O-N 3.05Å; M715-F719 PolarHBondContact O-N 3.49Å
716	W	92.3	Very high	92.4	Very high	51 Å²	51	26.2 Å²	26.2	19%	0.193	15%	0.149	C	C	.	.	H	α-helix	trans	-54.5	-36.3	177.7	-175.7	-128	0	0	0	113.2	L601 R718 F719 K720 K755 L756	L601-W716 HydrophobicContact CD2-CH2 4.13Å; L601-W716 HydrophobicContact CD2-CZ2 4.04Å; W716-R718 PolarHBondContact O-N 2.97Å; W716-F719 HydrophobicContact CE3-CB 4.26Å; W716-F719 AromaticContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CE1 4.37Å; W716-F719 HydrophobicContact CE3-CG 4.19Å; W716-F719 AromaticContact CH2-CD1 3.93Å; W716-F719 HydrophobicContact CH2-CD1 3.93Å; W716-F719 AromaticContact CH2-CE1 3.91Å; W716-F719 HydrophobicContact CH2-CE1 3.91Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CG 4.1Å; W716-F719 HydrophobicContact CZ3-CZ 4.5Å; W716-F719 PolarHBondContact O-N 2.97Å; W716-K720 HydrophobicContact CD2-CD 4.42Å; W716-K720 HydrophobicContact CD2-CG 4.22Å; W716-K720 HydrophobicContact CZ2-CD 4.06Å; W716-K720 HydrophobicContact CZ2-CG 4.15Å; W716-K720 WeakPolarHBondContact O-CG 3.48Å; W716-K720 PolarHBondContact O-N 3.06Å; W716-K755 HydrophobicContact CB-CD 4.01Å; W716-K755 HydrophobicContact CD2-CB 3.96Å; W716-K755 HydrophobicContact CD2-CD 3.94Å; W716-K755 HydrophobicContact CD2-CG 4.44Å; W716-K755 HydrophobicContact CE3-CB 3.96Å; W716-K755 HydrophobicContact CE3-CD 4.16Å; W716-K755 HydrophobicContact CG-CD 3.87Å; W716-K755 HydrophobicContact CH2-CB 3.98Å; W716-K755 HydrophobicContact CZ2-CB 3.95Å; W716-K755 HydrophobicContact CZ3-CB 3.96Å; W716-L756 HydrophobicContact CH2-CD2 4.05Å; W716-L756 HydrophobicContact CH2-CG 4.23Å; W716-L756 HydrophobicContact CZ3-CD2 4.43Å; W716-L756 HydrophobicContact CZ3-CG 4.35Å
717	A	90.1	Very high	92.3	Very high	71 Å²	71	26.2 Å²	26.2	59%	0.587	15%	0.148	S	C	*	.	H	α-helix	trans	-62.6	-38.3	174.9	0	0	0	0	0	113.1	M715 N721	M715-A717 PolarHBondContact O-N 3.08Å; M715-A717 VanDerWaalsContact O-N 3.17Å; A717-N721 WeakPolarHBondContact O-CB 3.43Å; A717-N721 PolarHBondContact O-N 2.95Å
718	R	92.3	Very high	91.8	Very high	66 Å²	66	27.3 Å²	27.3	25%	0.249	16%	0.157	C	C	.	.	H	α-helix	trans	-70.1	-43.8	174.9	-75	173.3	66.6	118.4	-14.3	110.7	D693 D694 A713 M715 W716 K720 N721 R722	D693-R718 HydrophobicContact CB-CB 4.46Å; D694-R718 IonicContact OD1-CZ 2.78Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.44Å; D694-R718 PolarHBondContact OD1-NH1 3.3Å; D694-R718 IonicContact OD1-NH2 2.75Å; D694-R718 PolarHBondContact OD1-NH2 2.99Å; D694-R718 IonicContact OD2-NH2 3.74Å; D694-R718 PolarHBondContact OD2-NH2 2.69Å; A713-R718 HydrophobicContact CB-CB 3.82Å; M715-R718 HydrophobicContact CE-CG 4.27Å; M715-R718 PolarHBondContact O-N 3.05Å; W716-R718 PolarHBondContact O-N 2.97Å; R718-K720 PolarHBondContact O-N 2.99Å; R718-N721 WeakPolarHBondContact O-CB 3.27Å; R718-N721 PolarHBondContact O-N 3.11Å; R718-N721 VanDerWaalsContact O-N 3.1Å; R718-R722 PolarHBondContact O-N 3.25Å
719	F	95	Very high	91.3	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-55.7	-49.1	175.3	176.2	-92.6	0	0	0	112	H709 F712 A713 M715 W716 N721 R722 F723 V743 L756	H709-F719 HydrophobicContact CB-CE2 4.23Å; H709-F719 AromaticContact CE1-CE2 3.94Å; H709-F719 AromaticContact CG-CE2 3.94Å; H709-F719 AromaticContact ND1-CD2 3.65Å; H709-F719 AromaticContact ND1-CE2 3.18Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.3Å; H709-F719 AromaticContact ND1-CZ 3.76Å; F712-F719 AromaticContact CD1-CD2 3.7Å; F712-F719 HydrophobicContact CD1-CD2 3.7Å; F712-F719 AromaticContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CG 4.46Å; F712-F719 HydrophobicContact CD1-CZ 4.44Å; F712-F719 HydrophobicContact CE1-CD2 4.2Å; F712-F719 AromaticContact CE1-CE2 3.74Å; F712-F719 HydrophobicContact CE1-CE2 3.74Å; F712-F719 HydrophobicContact CE1-CZ 4.12Å; A713-F719 HydrophobicContact CB-CB 3.85Å; M715-F719 PolarHBondContact O-N 3.49Å; W716-F719 HydrophobicContact CE3-CB 4.26Å; W716-F719 AromaticContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CE1 4.37Å; W716-F719 HydrophobicContact CE3-CG 4.19Å; W716-F719 AromaticContact CH2-CD1 3.93Å; W716-F719 HydrophobicContact CH2-CD1 3.93Å; W716-F719 AromaticContact CH2-CE1 3.91Å; W716-F719 HydrophobicContact CH2-CE1 3.91Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CG 4.1Å; W716-F719 HydrophobicContact CZ3-CZ 4.5Å; W716-F719 PolarHBondContact O-N 2.97Å; F719-N721 VanDerWaalsContact C-N 3.33Å; F719-N721 PolarHBondContact O-N 2.96Å; F719-R722 VanDerWaalsContact O-CB 3.27Å; F719-R722 WeakPolarHBondContact O-CB 3.22Å; F719-R722 WeakPolarHBondContact O-CG 3.45Å; F719-R722 PolarHBondContact O-N 3.38Å; F719-F723 HydrophobicContact CD1-CE2 4.34Å; F719-F723 AromaticContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CZ 4.43Å; F719-F723 HydrophobicContact CZ-CE2 4.1Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; F719-V743 HydrophobicContact CE2-CG1 4.19Å; F719-V743 HydrophobicContact CE2-CG2 4.31Å; F719-V743 HydrophobicContact CZ-CG1 4.37Å; F719-V743 HydrophobicContact CZ-CG2 3.95Å; F719-L756 HydrophobicContact CE1-CD2 4.16Å; F719-L756 HydrophobicContact CZ-CD2 4.25Å
720	K	93.9	Very high	90.5	Very high	19 Å²	19	28.4 Å²	28.4	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-38.8	176.2	-67.5	-167.7	-63.3	175.1	0	112.1	D599 L601 W716 R718 R722 F723	D599-K720 WeakPolarHBondContact OD2-CD 3.44Å; D599-K720 VanDerWaalsContact OD2-CE 3.3Å; D599-K720 WeakPolarHBondContact OD2-CE 3.44Å; D599-K720 IonicContact OD2-NZ 3.63Å; D599-K720 PolarHBondContact OD2-NZ 2.87Å; L601-K720 HydrophobicContact CB-CB 3.99Å; L601-K720 HydrophobicContact CB-CD 4.21Å; L601-K720 HydrophobicContact CB-CG 3.87Å; L601-K720 HydrophobicContact CD2-CD 4.02Å; L601-K720 HydrophobicContact CD2-CG 3.81Å; L601-K720 HydrophobicContact CG-CG 4.5Å; W716-K720 HydrophobicContact CD2-CD 4.42Å; W716-K720 HydrophobicContact CD2-CG 4.22Å; W716-K720 HydrophobicContact CZ2-CD 4.06Å; W716-K720 HydrophobicContact CZ2-CG 4.15Å; W716-K720 WeakPolarHBondContact O-CG 3.48Å; W716-K720 PolarHBondContact O-N 3.06Å; R718-K720 PolarHBondContact O-N 2.99Å; K720-R722 PolarHBondContact O-N 2.86Å; K720-F723 WeakPolarHBondContact O-CB 3.48Å; K720-F723 WeakPolarHBondContact O-CD2 3.5Å; K720-F723 PolarHBondContact O-N 2.9Å; K720-F723 VanDerWaalsContact O-N 3.1Å
721	N	92.3	Very high	89.4	Confident	42 Å²	42	32.5 Å²	32.5	23%	0.225	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-22.2	177.5	-171.5	69.6	0	0	0	113.8	V696 A717 R718 F719 F723 S724	V696-N721 WeakPolarHBondContact CG1-O 3.06Å; A717-N721 WeakPolarHBondContact O-CB 3.43Å; A717-N721 PolarHBondContact O-N 2.95Å; R718-N721 WeakPolarHBondContact O-CB 3.27Å; R718-N721 PolarHBondContact O-N 3.11Å; R718-N721 VanDerWaalsContact O-N 3.1Å; F719-N721 VanDerWaalsContact C-N 3.33Å; F719-N721 PolarHBondContact O-N 2.96Å; N721-F723 PolarHBondContact O-N 3.39Å; N721-S724 VanDerWaalsContact O-CB 3.28Å; N721-S724 WeakPolarHBondContact O-CB 3.46Å; N721-S724 PolarHBondContact O-N 3.03Å; N721-S724 PolarHBondContact O-OG 3.43Å
722	R	94.5	Very high	88	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.4	171.6	-61.3	176.9	177	-169.9	0.1	112.9	V644 D693 L707 H709 S711 R718 F719 K720 S724 L725	V644-R722 HydrophobicContact CB-CG 4.34Å; V644-R722 HydrophobicContact CG1-CG 4.1Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.39Å; V644-R722 HydrophobicContact CG2-CG 4.13Å; V644-R722 PolarHBondContact O-NH1 2.67Å; D693-R722 VanDerWaalsContact OD1-CG 3.26Å; D693-R722 WeakPolarHBondContact OD1-CG 3.33Å; D693-R722 IonicContact OD1-CZ 3.97Å; D693-R722 IonicContact OD1-NE 3.55Å; D693-R722 PolarHBondContact OD1-NE 2.97Å; D693-R722 IonicContact OD1-NH2 3.28Å; D693-R722 IonicContact OD2-CZ 3.65Å; D693-R722 IonicContact OD2-NE 2.74Å; D693-R722 PolarHBondContact OD2-NE 2.89Å; D693-R722 IonicContact OD2-NH2 2.6Å; D693-R722 PolarHBondContact OD2-NH2 3.27Å; L707-R722 HydrophobicContact CD2-CB 4.3Å; L707-R722 WeakPolarHBondContact CD2-O 3.08Å; H709-R722 VanDerWaalsContact ND1-CD 3.33Å; H709-R722 WeakPolarHBondContact ND1-CD 3.18Å; S711-R722 PolarHBondContact O-NH1 3.31Å; S711-R722 PolarHBondContact O-NH2 2.75Å; R718-R722 PolarHBondContact O-N 3.25Å; F719-R722 VanDerWaalsContact O-CB 3.27Å; F719-R722 WeakPolarHBondContact O-CB 3.22Å; F719-R722 WeakPolarHBondContact O-CG 3.45Å; F719-R722 PolarHBondContact O-N 3.38Å; K720-R722 PolarHBondContact O-N 2.86Å; R722-S724 PolarHBondContact O-N 2.72Å; R722-L725 WeakPolarHBondContact O-CG 3.42Å; R722-L725 PolarHBondContact O-N 2.78Å
723	F	94.1	Very high	86.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-69.6	-13.7	179.4	-68.6	-97.9	0	0	0	113.3	A600 L601 S604 L611 H709 F719 K720 N721 L725 F726 S741	A600-F723 HydrophobicContact CB-CB 4.22Å; A600-F723 VanDerWaalsContact O-CB 3.26Å; A600-F723 WeakPolarHBondContact O-CB 3.46Å; L601-F723 HydrophobicContact CB-CD2 3.91Å; L601-F723 HydrophobicContact CB-CE2 4.33Å; L601-F723 HydrophobicContact CB-CG 4.14Å; L601-F723 HydrophobicContact CD1-CD1 3.94Å; L601-F723 HydrophobicContact CD1-CD2 3.99Å; L601-F723 HydrophobicContact CD1-CE1 3.63Å; L601-F723 HydrophobicContact CD1-CE2 3.69Å; L601-F723 HydrophobicContact CD1-CG 4.12Å; L601-F723 HydrophobicContact CD1-CZ 3.53Å; L601-F723 HydrophobicContact CG-CD2 4.49Å; L601-F723 HydrophobicContact CG-CE2 4.45Å; S604-F723 PolarHBondContact OG-O 3.46Å; L611-F723 HydrophobicContact CD1-CE1 4.14Å; L611-F723 HydrophobicContact CD1-CZ 3.9Å; H709-F723 AromaticContact CE1-CD2 3.93Å; H709-F723 AromaticContact CE1-CE2 3.29Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.4Å; H709-F723 AromaticContact CE1-CZ 3.6Å; H709-F723 AromaticContact NE2-CE2 3.8Å; H709-F723 AromaticContact NE2-CZ 3.65Å; F719-F723 HydrophobicContact CD1-CE2 4.34Å; F719-F723 AromaticContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CZ 4.43Å; F719-F723 HydrophobicContact CZ-CE2 4.1Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; K720-F723 WeakPolarHBondContact O-CB 3.48Å; K720-F723 WeakPolarHBondContact O-CD2 3.5Å; K720-F723 PolarHBondContact O-N 2.9Å; K720-F723 VanDerWaalsContact O-N 3.1Å; N721-F723 PolarHBondContact O-N 3.39Å; F723-L725 PolarHBondContact O-N 2.9Å; F723-F726 HydrophobicContact CB-CD2 4.39Å; F723-F726 HydrophobicContact CD1-CD2 4.05Å; F723-F726 AromaticContact CD1-CE2 3.92Å; F723-F726 HydrophobicContact CD1-CE2 3.92Å; F723-F726 HydrophobicContact CE1-CE2 4.43Å; F723-F726 WeakPolarHBondContact O-CB 3.5Å; F723-F726 PolarHBondContact O-N 3.35Å; F723-S741 VanDerWaalsContact CE1-CB 3.49Å; F723-S741 WeakPolarHBondContact CE1-OG 3.38Å; F723-S741 VanDerWaalsContact CZ-OG 3.31Å; F723-S741 WeakPolarHBondContact CZ-OG 3.31Å
724	S	92.4	Very high	84.4	Confident	20 Å²	20	40.6 Å²	40.6	14%	0.14	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61	-18.8	175.4	65.2	0	0	0	0	113.2	N721 R722 F726 Y727	N721-S724 VanDerWaalsContact O-CB 3.28Å; N721-S724 WeakPolarHBondContact O-CB 3.46Å; N721-S724 PolarHBondContact O-N 3.03Å; N721-S724 PolarHBondContact O-OG 3.43Å; R722-S724 PolarHBondContact O-N 2.72Å; S724-F726 PolarHBondContact O-N 2.87Å; S724-Y727 WeakPolarHBondContact O-CB 3.36Å; S724-Y727 WeakPolarHBondContact O-CD2 3.24Å; S724-Y727 PolarHBondContact O-N 2.86Å; S724-Y727 VanDerWaalsContact O-N 3.09Å
725	L	91.8	Very high	82.7	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.052	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.1	-29	172.5	-59.8	174.4	0	0	0	112.5	V642 V696 L699 I704 L707 R722 F723 Y727	V642-L725 HydrophobicContact CG1-CD1 3.94Å; V696-L725 HydrophobicContact CG1-CG 4.49Å; L699-L725 HydrophobicContact CB-CD2 4.02Å; L699-L725 HydrophobicContact CD2-CD2 3.92Å; L699-L725 HydrophobicContact CG-CD2 4.38Å; I704-L725 HydrophobicContact CD1-CB 3.58Å; I704-L725 HydrophobicContact CG1-CB 4.12Å; L707-L725 HydrophobicContact CD1-CD1 3.73Å; R722-L725 WeakPolarHBondContact O-CG 3.42Å; R722-L725 PolarHBondContact O-N 2.78Å; F723-L725 PolarHBondContact O-N 2.9Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 2.87Å
726	F	90.4	Very high	80.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-75.3	-10.2	174.8	-65.7	-66.1	0	0	0	114	V609 I704 L707 F723 S724 A728 N729 L730	V609-F726 HydrophobicContact CG1-CD2 4.03Å; V609-F726 HydrophobicContact CG1-CE1 4.18Å; V609-F726 HydrophobicContact CG1-CE2 3.62Å; V609-F726 HydrophobicContact CG1-CG 4.47Å; V609-F726 HydrophobicContact CG1-CZ 3.69Å; V609-F726 HydrophobicContact CG2-CB 4.09Å; V609-F726 HydrophobicContact CG2-CD1 3.93Å; V609-F726 HydrophobicContact CG2-CD2 4.01Å; V609-F726 HydrophobicContact CG2-CE1 4.32Å; V609-F726 HydrophobicContact CG2-CE2 4.38Å; V609-F726 HydrophobicContact CG2-CG 3.76Å; I704-F726 HydrophobicContact CD1-CD1 4Å; I704-F726 HydrophobicContact CD1-CE1 3.92Å; I704-F726 HydrophobicContact CD1-CG 4.5Å; I704-F726 HydrophobicContact CD1-CZ 4.36Å; I704-F726 HydrophobicContact CG1-CD1 4.15Å; I704-F726 HydrophobicContact CG1-CE1 4.38Å; I704-F726 WeakPolarHBondContact O-CD1 3.49Å; I704-F726 WeakPolarHBondContact O-CE1 3.47Å; L707-F726 HydrophobicContact CB-CE1 4.25Å; L707-F726 HydrophobicContact CB-CE2 3.74Å; L707-F726 HydrophobicContact CB-CZ 3.39Å; L707-F726 HydrophobicContact CD2-CD2 4.28Å; L707-F726 HydrophobicContact CD2-CE2 3.6Å; L707-F726 HydrophobicContact CD2-CZ 4.17Å; L707-F726 HydrophobicContact CG-CE2 4.33Å; L707-F726 HydrophobicContact CG-CZ 4.43Å; F723-F726 HydrophobicContact CB-CD2 4.39Å; F723-F726 HydrophobicContact CD1-CD2 4.05Å; F723-F726 AromaticContact CD1-CE2 3.92Å; F723-F726 HydrophobicContact CD1-CE2 3.92Å; F723-F726 HydrophobicContact CE1-CE2 4.43Å; F723-F726 WeakPolarHBondContact O-CB 3.5Å; F723-F726 PolarHBondContact O-N 3.35Å; S724-F726 PolarHBondContact O-N 2.87Å; F726-A728 PolarHBondContact O-N 3.48Å; F726-N729 WeakPolarHBondContact O-CB 3.41Å; F726-N729 PolarHBondContact O-N 2.85Å; F726-L730 PolarHBondContact O-N 3.47Å
727	Y	88.5	Confident	79.2	Confident	5 Å²	5	48.7 Å²	48.7	2%	0.02	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-59.6	-20.3	-178.3	-69.6	-10.8	0	0	0	114	N353 G356 L358 A600 A603 S724 L725 L730 K731	N353-Y727 HydrophobicContact CB-CD2 3.79Å; N353-Y727 HydrophobicContact CB-CG 4.12Å; G356-Y727 WeakPolarHBondContact O-CE2 3.27Å; G356-Y727 PolarHBondContact O-OH 2.89Å; L358-Y727 HydrophobicContact CB-CD1 4.14Å; L358-Y727 HydrophobicContact CB-CE1 3.73Å; L358-Y727 HydrophobicContact CB-CE2 4.35Å; L358-Y727 HydrophobicContact CD1-CD1 3.81Å; L358-Y727 HydrophobicContact CD1-CE1 4.3Å; L358-Y727 HydrophobicContact CD1-CG 3.9Å; L358-Y727 HydrophobicContact CG-CD1 4.41Å; L358-Y727 HydrophobicContact CG-CE1 4.44Å; A600-Y727 VanDerWaalsContact CA-OH 3.31Å; A600-Y727 WeakPolarHBondContact CA-OH 3.35Å; A600-Y727 HydrophobicContact CB-CE1 3.82Å; A600-Y727 VanDerWaalsContact CB-OH 3.25Å; A600-Y727 WeakPolarHBondContact CB-OH 3.2Å; A603-Y727 HydrophobicContact CB-CE1 4.07Å; S724-Y727 WeakPolarHBondContact O-CB 3.36Å; S724-Y727 WeakPolarHBondContact O-CD2 3.24Å; S724-Y727 PolarHBondContact O-N 2.86Å; S724-Y727 VanDerWaalsContact O-N 3.09Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 2.87Å; Y727-L730 HydrophobicContact CD1-CD1 4.3Å; Y727-K731 WeakPolarHBondContact O-CG 3.48Å
728	A	84.1	Confident	78.5	Confident	23 Å²	23	46.6 Å²	46.6	19%	0.19	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-76.6	-30.8	172.7	0	0	0	0	0	113	G702 K703 F726 K731	G702-A728 WeakPolarHBondContact O-CB 2.99Å; K703-A728 WeakPolarHBondContact CE-O 3.44Å; K703-A728 HydrophobicContact CG-CB 4.3Å; F726-A728 PolarHBondContact O-N 3.48Å; A728-K731 PolarHBondContact O-N 3.07Å
729	N	83.9	Confident	78.2	Confident	11 Å²	11	43.8 Å²	43.8	6%	0.059	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-69.6	-42.2	179.1	-51.7	22.4	0	0	0	109.4	K703 I704 F726 K731 S732 V738	K703-N729 WeakPolarHBondContact CA-OD1 3.42Å; I704-N729 PolarHBondContact N-OD1 3.33Å; I704-N729 PolarHBondContact O-ND2 3.3Å; F726-N729 WeakPolarHBondContact O-CB 3.41Å; F726-N729 PolarHBondContact O-N 2.85Å; N729-K731 PolarHBondContact O-N 2.9Å; N729-S732 PolarHBondContact O-N 2.75Å; N729-V738 HydrophobicContact CB-CG1 3.44Å; N729-V738 VanDerWaalsContact CB-CG1 3.44Å; N729-V738 PolarHBondContact ND2-O 3.33Å
730	L	78.4	Confident	78	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.063	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-63.7	4	177	-58.8	174.2	0	0	0	115.2	T351 L358 F726 Y727 V738	T351-L730 PolarHBondContact OG1-O 2.87Å; L358-L730 HydrophobicContact CD1-CB 4.48Å; L358-L730 HydrophobicContact CD1-CD1 4.25Å; L358-L730 HydrophobicContact CD2-CD1 3.59Å; F726-L730 PolarHBondContact O-N 3.47Å; Y727-L730 HydrophobicContact CD1-CD1 4.3Å; L730-V738 HydrophobicContact CD2-CG1 3.76Å; L730-V738 HydrophobicContact CG-CG1 4.32Å
731	K	72.5	Confident	78.1	Confident	95 Å²	95	43.8 Å²	43.8	41%	0.413	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-90.5	1.2	172.9	-54.6	-154	175.8	-153.4	0	114	T351 N353 Y727 A728 N729	T351-K731 HydrophobicContact CG2-CG 4.19Å; T351-K731 WeakPolarHBondContact O-CE 3.43Å; T351-K731 PolarHBondContact O-NZ 2.69Å; T351-K731 VanDerWaalsContact O-NZ 3.1Å; N353-K731 WeakPolarHBondContact OD1-CE 3.26Å; N353-K731 PolarHBondContact OD1-NZ 3.32Å; Y727-K731 WeakPolarHBondContact O-CG 3.48Å; A728-K731 PolarHBondContact O-N 3.07Å; N729-K731 PolarHBondContact O-N 2.9Å
732	S	61.8	Low	78.2	Confident	44 Å²	44	41.8 Å²	41.8	31%	0.308	23%	0.231	S	C	.	.	S	Bend	trans	-141.5	115.4	176.9	-49.2	0	0	0	0	110.2	K703 N729 T734	K703-S732 VanDerWaalsContact NZ-CB 3.33Å; K703-S732 PolarHBondContact NZ-OG 2.98Å; N729-S732 PolarHBondContact O-N 2.75Å; S732-T734 PolarHBondContact O-N 3.39Å
733	P	53.6	Low	78.3	Confident	84 Å²	84	41.9 Å²	41.9	55%	0.545	23%	0.231	S	C	.	.			trans	-73.4	91.4	174.8	29.5	-32.7	0	0	0	109.9	F345	F345-P733 WeakPolarHBondContact O-CB 3.4Å
734	T	53.5	Low	78.3	Confident	85 Å²	85	42.1 Å²	42.1	52%	0.521	23%	0.232	S	C	.	.			trans	-106.2	144.2	175.5	49	0	0	0	0	111.1	S732 R736	S732-T734 PolarHBondContact O-N 3.39Å; T734-R736 PolarHBondContact O-N 2.91Å
735	T	50.4	Low	78.4	Confident	151 Å²	151	41.2 Å²	41.2	93%	0.926	23%	0.226	S	C	*	.	S	Bend	trans	-74.4	28.1	-179	50.2	0	0	0	0	114.8
736	R	53.9	Low	78.4	Confident	204 Å²	204	43.4 Å²	43.4	77%	0.77	24%	0.235	S	C	*	.	S	Bend	trans	-125.4	152.4	179	-72	-172.9	177.8	-168.5	-1.2	109.4	T734 V738	T734-R736 PolarHBondContact O-N 2.91Å; R736-V738 PolarHBondContact O-N 3.43Å
737	P	56.2	Low	78.5	Confident	79 Å²	79	45.3 Å²	45.3	51%	0.513	25%	0.248	S	C	.	.			trans	-53	131.7	174.2	23.2	-34.2	0	0	0	109.9	Q610 G739	Q610-P737 HydrophobicContact CG-CB 4.49Å; P737-G739 VanDerWaalsContact C-N 3.25Å; P737-G739 PolarHBondContact O-N 3.3Å
738	V	75.4	Confident	78.6	Confident	27 Å²	27	49.7 Å²	49.7	16%	0.164	28%	0.275	C	S	.	.			trans	-72.9	-23.7	-167.6	166.6	0	0	0	0	111.8	G607 G608 V609 N729 L730 R736	G607-V738 WeakPolarHBondContact O-CB 3.22Å; G607-V738 WeakPolarHBondContact O-CG2 3.36Å; G608-V738 PolarHBondContact O-N 3.46Å; V609-V738 HydrophobicContact CG2-CB 4.33Å; V609-V738 HydrophobicContact CG2-CG1 4.07Å; N729-V738 HydrophobicContact CB-CG1 3.44Å; N729-V738 VanDerWaalsContact CB-CG1 3.44Å; N729-V738 PolarHBondContact ND2-O 3.33Å; L730-V738 HydrophobicContact CD2-CG1 3.76Å; L730-V738 HydrophobicContact CG-CG1 4.32Å; R736-V738 PolarHBondContact O-N 3.43Å
739	G	86.3	Confident	78.9	Confident	7 Å²	7	50.6 Å²	50.6	7%	0.072	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	177.8	170.1	0	0	0	0	0	111	V609 Q610 P705 P737	V609-G739 WeakPolarHBondContact CA-O 3.42Å; Q610-G739 PolarHBondContact N-O 3.22Å; P705-G739 CarbonylContact O-C 3.32Å; P705-G739 VanDerWaalsContact O-CA 3.3Å; P705-G739 WeakPolarHBondContact O-CA 3.48Å; P737-G739 VanDerWaalsContact C-N 3.25Å; P737-G739 PolarHBondContact O-N 3.3Å
740	Q	90.9	Very high	79.3	Confident	21 Å²	21	51.1 Å²	51.1	10%	0.098	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.6	171.1	-172.3	-178.2	10	0	0	109.5	P705 L706 L707 V742	P705-Q740 PolarHBondContact O-N 3.23Å; L706-Q740 WeakPolarHBondContact CA-O 3.45Å; L706-Q740 HydrophobicContact CD1-CB 4.2Å; L706-Q740 HydrophobicContact CD1-CG 4.45Å; L707-Q740 PolarHBondContact N-O 3.26Å; Q740-V742 HydrophobicContact CG-CG2 3.98Å
741	S	94.7	Very high	80	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.7	165.2	173	0	0	0	0	108.4	Q610 L611 D612 L707 H709 F723	Q610-S741 PolarHBondContact O-N 2.9Å; L611-S741 WeakPolarHBondContact CD1-OG 3.36Å; D612-S741 PolarHBondContact N-O 3.38Å; L707-S741 CarbonylContact O-C 3.55Å; L707-S741 WeakPolarHBondContact O-CA 3.33Å; H709-S741 PolarHBondContact CD2-OG 3.32Å; H709-S741 PolarHBondContact NE2-OG 3.45Å; F723-S741 VanDerWaalsContact CE1-CB 3.49Å; F723-S741 WeakPolarHBondContact CE1-OG 3.38Å; F723-S741 VanDerWaalsContact CZ-OG 3.31Å; F723-S741 WeakPolarHBondContact CZ-OG 3.31Å
742	V	95	Very high	81	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.7	174.4	-177.4	0	0	0	0	108.5	D612 R614 L629 L706 L707 I708 H709 Q740	D612-V742 HydrophobicContact CB-CG2 4.25Å; D612-V742 CarbonylContact O-C 3.52Å; D612-V742 WeakPolarHBondContact O-CA 3.46Å; R614-V742 HydrophobicContact CG-CG1 4.31Å; L629-V742 HydrophobicContact CD1-CG2 4.05Å; L629-V742 HydrophobicContact CD2-CB 4.3Å; L629-V742 HydrophobicContact CD2-CG1 4.32Å; L629-V742 HydrophobicContact CD2-CG2 4.09Å; L706-V742 HydrophobicContact CD1-CG2 3.89Å; L707-V742 PolarHBondContact O-N 3.3Å; I708-V742 CarbonylContact C-O 3.54Å; I708-V742 WeakPolarHBondContact CA-O 3.4Å; H709-V742 PolarHBondContact N-O 2.88Å; Q740-V742 HydrophobicContact CG-CG2 3.98Å
743	V	95.8	Very high	82.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.3	179.4	-174.7	0	0	0	0	109.6	L611 D612 V613 R614 H709 F712 F719 L756	L611-V743 HydrophobicContact CD1-CG2 4.01Å; D612-V743 PolarHBondContact O-N 3.28Å; V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.3Å; R614-V743 PolarHBondContact N-O 3.3Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.25Å; H709-V743 HydrophobicContact CB-CG2 4.22Å; F712-V743 HydrophobicContact CE1-CG1 3.87Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F719-V743 HydrophobicContact CE2-CG1 4.19Å; F719-V743 HydrophobicContact CE2-CG2 4.31Å; F719-V743 HydrophobicContact CZ-CG1 4.37Å; F719-V743 HydrophobicContact CZ-CG2 3.95Å; V743-L756 HydrophobicContact CG1-CD1 4.49Å
744	F	95.3	Very high	84.5	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.022	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.9	163.7	-66.1	-49.8	0	0	0	108.9	R614 V616 K622 H625 L626 I708 H709 Y710	R614-F744 HydrophobicContact CB-CD1 3.93Å; R614-F744 HydrophobicContact CB-CE1 4.16Å; R614-F744 WeakPolarHBondContact O-CA 3.47Å; V616-F744 HydrophobicContact CG2-CD1 3.93Å; V616-F744 HydrophobicContact CG2-CE1 4.44Å; K622-F744 HydrophobicContact CG-CB 4.24Å; K622-F744 HydrophobicContact CG-CD1 4.37Å; K622-F744 HydrophobicContact CG-CD2 3.84Å; K622-F744 HydrophobicContact CG-CE2 4.28Å; K622-F744 HydrophobicContact CG-CG 3.92Å; H625-F744 HydrophobicContact CB-CE1 3.72Å; H625-F744 HydrophobicContact CB-CZ 3.98Å; L626-F744 HydrophobicContact CB-CE2 4.3Å; L626-F744 HydrophobicContact CB-CZ 4.29Å; I708-F744 HydrophobicContact CG2-CD2 4.25Å; I708-F744 HydrophobicContact CG2-CE2 3.97Å; H709-F744 PolarHBondContact O-N 2.82Å; Y710-F744 HydrophobicContact CD2-CD2 4.12Å; Y710-F744 HydrophobicContact CD2-CE2 4.39Å
745	A	94.3	Very high	86.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.3	180	0	0	0	0	0	109.8	V613 R614 V615 V616 F712 I753	V613-A745 HydrophobicContact CG1-CB 4.22Å; R614-A745 PolarHBondContact O-N 3.16Å; V615-A745 CarbonylContact C-O 3.59Å; V615-A745 VanDerWaalsContact CA-O 3.24Å; V615-A745 WeakPolarHBondContact CA-O 3.47Å; V616-A745 PolarHBondContact N-O 2.65Å; F712-A745 HydrophobicContact CE2-CB 3.57Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; A745-I753 HydrophobicContact CB-CG1 4.4Å
746	K	92.2	Very high	88.6	Confident	56 Å²	56	37.3 Å²	37.3	24%	0.243	19%	0.187	C	C	.	.			trans	-91.9	151.8	172.8	-56.5	-155.6	174.4	-145.6	0	110.6	V616 A617 E619 T748 D749 I753	V616-K746 WeakPolarHBondContact O-CA 3.37Å; A617-K746 PolarHBondContact O-NZ 3.31Å; E619-K746 WeakPolarHBondContact OE1-CE 3.34Å; E619-K746 IonicContact OE1-NZ 3.64Å; E619-K746 PolarHBondContact OE1-NZ 2.62Å; K746-T748 WeakPolarHBondContact CB-OG1 3.35Å; K746-T748 PolarHBondContact O-N 2.71Å; K746-D749 WeakPolarHBondContact CB-OD2 3.42Å; K746-D749 PolarHBondContact N-OD2 2.8Å; K746-D749 WeakPolarHBondContact O-CB 3.37Å; K746-D749 PolarHBondContact O-N 3.33Å; K746-I753 WeakPolarHBondContact O-CD1 3.45Å
747	P	91.1	Very high	90.6	Very high	41 Å²	41	27.6 Å²	27.6	27%	0.266	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-8.9	170.2	-24.3	33.9	0	0	0	114.6	V615 R778	V615-P747 HydrophobicContact CG1-CG 3.77Å; P747-R778 PolarHBondContact O-NE 3.12Å; P747-R778 PolarHBondContact O-NH2 3.26Å
748	T	90.6	Very high	92.3	Very high	97 Å²	97	25.2 Å²	25.2	60%	0.595	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.4	174	47.5	0	0	0	0	114	K746 V750	K746-T748 WeakPolarHBondContact CB-OG1 3.35Å; K746-T748 PolarHBondContact O-N 2.71Å; T748-V750 PolarHBondContact O-N 2.79Å
749	D	91.4	Very high	93.1	Very high	42 Å²	42	24.5 Å²	24.5	23%	0.225	13%	0.129	C	C	.	.			trans	-77.6	35.7	-179.9	-74.3	-53	0	0	0	113.1	F712 K746 E751 N752 I753	F712-D749 HydrophobicContact CD2-CB 3.8Å; F712-D749 VanDerWaalsContact CD2-CG 3.44Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.42Å; F712-D749 HydrophobicContact CE2-CB 3.62Å; K746-D749 WeakPolarHBondContact CB-OD2 3.42Å; K746-D749 PolarHBondContact N-OD2 2.8Å; K746-D749 WeakPolarHBondContact O-CB 3.37Å; K746-D749 PolarHBondContact O-N 3.33Å; D749-E751 VanDerWaalsContact C-N 3.25Å; D749-E751 PolarHBondContact O-N 2.93Å; D749-E751 VanDerWaalsContact O-N 3.08Å; D749-N752 PolarHBondContact O-N 3.47Å; D749-I753 HydrophobicContact CB-CD1 4.27Å; D749-I753 HydrophobicContact CB-CG1 4.29Å; D749-I753 WeakPolarHBondContact O-CG1 3.41Å; D749-I753 PolarHBondContact O-N 2.86Å
750	V	91.5	Very high	93.3	Very high	21 Å²	21	25.1 Å²	25.1	13%	0.127	13%	0.129	C	C	.	.	H	α-helix	trans	-48.5	-44.8	-169.6	-169.5	0	0	0	0	112.4	T748 N752 I753 W754 L775 R778	T748-V750 PolarHBondContact O-N 2.79Å; V750-N752 VanDerWaalsContact C-N 3.31Å; V750-N752 PolarHBondContact O-N 3.48Å; V750-I753 PolarHBondContact O-N 2.88Å; V750-W754 WeakPolarHBondContact O-CB 3.46Å; V750-W754 PolarHBondContact O-N 3.31Å; V750-L775 HydrophobicContact CG1-CD2 3.77Å; V750-R778 HydrophobicContact CG1-CB 4.31Å; V750-R778 HydrophobicContact CG2-CB 4.18Å; V750-R778 HydrophobicContact CG2-CG 3.71Å
751	E	92.6	Very high	93.2	Very high	89 Å²	89	24.8 Å²	24.8	42%	0.416	13%	0.127	S	C	.	.	H	α-helix	trans	-64.1	-29.8	-179.7	178.4	60	-165	0	0	114	D749 K755 H806	D749-E751 VanDerWaalsContact C-N 3.25Å; D749-E751 PolarHBondContact O-N 2.93Å; D749-E751 VanDerWaalsContact O-N 3.08Å; E751-K755 VanDerWaalsContact CD-NZ 3.33Å; E751-K755 VanDerWaalsContact O-CD 3.27Å; E751-K755 WeakPolarHBondContact O-CD 3.35Å; E751-K755 VanDerWaalsContact O-CE 3.31Å; E751-K755 WeakPolarHBondContact O-CE 3.35Å; E751-K755 WeakPolarHBondContact O-CG 3.3Å; E751-K755 WeakPolarHBondContact OE1-CE 3.28Å; E751-K755 IonicContact OE1-NZ 3.68Å; E751-K755 PolarHBondContact OE1-NZ 2.92Å; E751-H806 IonicContact OE1-CE1 3.19Å; E751-H806 IonicContact OE1-NE2 2.74Å; E751-H806 PolarHBondContact OE1-NE2 3.47Å; E751-H806 IonicContact OE2-CD2 2.81Å; E751-H806 IonicContact OE2-CE1 2.85Å; E751-H806 IonicContact OE2-NE2 3.2Å; E751-H806 PolarHBondContact OE2-NE2 3.3Å
752	N	93.7	Very high	92.7	Very high	23 Å²	23	29 Å²	29	12%	0.123	15%	0.145	C	C	.	.	H	α-helix	trans	-94.3	-34.6	178.1	-68.5	-45.7	0	0	0	111.8	F712 D749 V750 W754 K755 L756	F712-N752 HydrophobicContact CD1-CB 3.66Å; F712-N752 HydrophobicContact CD2-CB 3.97Å; F712-N752 HydrophobicContact CE1-CB 3.65Å; F712-N752 HydrophobicContact CE2-CB 3.93Å; F712-N752 HydrophobicContact CG-CB 3.83Å; F712-N752 HydrophobicContact CZ-CB 3.78Å; D749-N752 PolarHBondContact O-N 3.47Å; V750-N752 VanDerWaalsContact C-N 3.31Å; V750-N752 PolarHBondContact O-N 3.48Å; N752-W754 VanDerWaalsContact C-N 3.29Å; N752-W754 PolarHBondContact O-N 2.88Å; N752-K755 PolarHBondContact O-N 3.21Å; N752-L756 PolarHBondContact O-N 2.93Å
753	I	95.3	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-41.5	170	-67.4	172.1	0	0	0	110	A745 K746 D749 V750 K755 L756 C757 L771 I774 L775	A745-I753 HydrophobicContact CB-CG1 4.4Å; K746-I753 WeakPolarHBondContact O-CD1 3.45Å; D749-I753 HydrophobicContact CB-CD1 4.27Å; D749-I753 HydrophobicContact CB-CG1 4.29Å; D749-I753 WeakPolarHBondContact O-CG1 3.41Å; D749-I753 PolarHBondContact O-N 2.86Å; V750-I753 PolarHBondContact O-N 2.88Å; I753-K755 PolarHBondContact O-N 3.28Å; I753-L756 PolarHBondContact O-N 3.28Å; I753-C757 PolarHBondContact O-N 3.2Å; I753-C757 PolarHBondContact O-SG 2.92Å; I753-L771 HydrophobicContact CG2-CB 3.93Å; I753-L771 HydrophobicContact CG2-CD2 4.35Å; I753-I774 HydrophobicContact CD1-CG2 4.21Å; I753-L775 HydrophobicContact CB-CD2 4.31Å; I753-L775 HydrophobicContact CG2-CD1 4.41Å; I753-L775 HydrophobicContact CG2-CD2 3.97Å; I753-L775 HydrophobicContact CG2-CG 4.04Å
754	W	95.3	Very high	91.5	Very high	26 Å²	26	34 Å²	34	10%	0.098	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-45.1	175.8	-167.2	94	0	0	0	111.7	V750 N752 L756 C757 D758 L775 L804 H806 L960	V750-W754 WeakPolarHBondContact O-CB 3.46Å; V750-W754 PolarHBondContact O-N 3.31Å; N752-W754 VanDerWaalsContact C-N 3.29Å; N752-W754 PolarHBondContact O-N 2.88Å; W754-L756 PolarHBondContact O-N 2.77Å; W754-C757 PolarHBondContact O-N 3.42Å; W754-D758 HydrophobicContact CE3-CB 4.05Å; W754-D758 HydrophobicContact CH2-CB 4.08Å; W754-D758 HydrophobicContact CZ3-CB 3.72Å; W754-D758 VanDerWaalsContact O-CB 3.32Å; W754-D758 WeakPolarHBondContact O-CB 3.19Å; W754-D758 PolarHBondContact O-N 3.26Å; W754-L775 HydrophobicContact CB-CD1 4.32Å; W754-L775 HydrophobicContact CB-CD2 3.91Å; W754-L775 HydrophobicContact CG-CD1 4.43Å; W754-L804 PolarHBondContact NE1-O 2.9Å; W754-H806 HydrophobicContact CD2-CB 4.03Å; W754-H806 AromaticContact CD2-CD2 3.61Å; W754-H806 HydrophobicContact CE3-CB 4.39Å; W754-H806 AromaticContact CE3-CD2 3.71Å; W754-H806 AromaticContact CG-CD2 3.88Å; W754-H806 HydrophobicContact CH2-CB 4.11Å; W754-H806 HydrophobicContact CZ2-CB 3.7Å; W754-H806 HydrophobicContact CZ3-CB 4.43Å; W754-L960 HydrophobicContact CD2-CD1 3.97Å; W754-L960 VanDerWaalsContact CE2-CD1 3.49Å; W754-L960 HydrophobicContact CG-CD1 4.29Å; W754-L960 HydrophobicContact CH2-CD1 4.42Å; W754-L960 HydrophobicContact CZ2-CB 3.95Å; W754-L960 HydrophobicContact CZ2-CD1 3.75Å; W754-L960 HydrophobicContact CZ2-CG 4.45Å
755	K	94.6	Very high	91.1	Very high	43 Å²	43	35 Å²	35	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-33.3	178.3	-68.7	166.1	-168.6	157.2	0	113.2	W716 E751 N752 I753 F759	W716-K755 HydrophobicContact CB-CD 4.01Å; W716-K755 HydrophobicContact CD2-CB 3.96Å; W716-K755 HydrophobicContact CD2-CD 3.94Å; W716-K755 HydrophobicContact CD2-CG 4.44Å; W716-K755 HydrophobicContact CE3-CB 3.96Å; W716-K755 HydrophobicContact CE3-CD 4.16Å; W716-K755 HydrophobicContact CG-CD 3.87Å; W716-K755 HydrophobicContact CH2-CB 3.98Å; W716-K755 HydrophobicContact CZ2-CB 3.95Å; W716-K755 HydrophobicContact CZ3-CB 3.96Å; E751-K755 VanDerWaalsContact CD-NZ 3.33Å; E751-K755 VanDerWaalsContact O-CD 3.27Å; E751-K755 WeakPolarHBondContact O-CD 3.35Å; E751-K755 VanDerWaalsContact O-CE 3.31Å; E751-K755 WeakPolarHBondContact O-CE 3.35Å; E751-K755 WeakPolarHBondContact O-CG 3.3Å; E751-K755 WeakPolarHBondContact OE1-CE 3.28Å; E751-K755 IonicContact OE1-NZ 3.68Å; E751-K755 PolarHBondContact OE1-NZ 2.92Å; N752-K755 PolarHBondContact O-N 3.21Å; I753-K755 PolarHBondContact O-N 3.28Å; K755-F759 WeakPolarHBondContact O-CB 3.26Å; K755-F759 PolarHBondContact O-N 3.39Å
756	L	94.8	Very high	90.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-49.6	169.4	-77.3	169	0	0	0	110.7	L611 V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760	L611-L756 HydrophobicContact CD2-CD2 4.37Å; V613-L756 HydrophobicContact CG1-CD1 4.22Å; V613-L756 HydrophobicContact CG2-CD1 4.2Å; F712-L756 HydrophobicContact CE1-CD1 3.8Å; F712-L756 HydrophobicContact CZ-CD1 3.7Å; W716-L756 HydrophobicContact CH2-CD2 4.05Å; W716-L756 HydrophobicContact CH2-CG 4.23Å; W716-L756 HydrophobicContact CZ3-CD2 4.43Å; W716-L756 HydrophobicContact CZ3-CG 4.35Å; F719-L756 HydrophobicContact CE1-CD2 4.16Å; F719-L756 HydrophobicContact CZ-CD2 4.25Å; V743-L756 HydrophobicContact CG1-CD1 4.49Å; N752-L756 PolarHBondContact O-N 2.93Å; I753-L756 PolarHBondContact O-N 3.28Å; W754-L756 PolarHBondContact O-N 2.77Å; L756-D758 VanDerWaalsContact C-N 3.3Å; L756-D758 PolarHBondContact O-N 2.99Å; L756-F759 WeakPolarHBondContact O-CB 3.45Å; L756-F759 PolarHBondContact O-N 2.96Å; L756-F759 VanDerWaalsContact O-N 3.14Å; L756-Y760 VanDerWaalsContact O-CD2 3.3Å; L756-Y760 WeakPolarHBondContact O-CD2 3.47Å; L756-Y760 PolarHBondContact O-N 3.13Å
757	C	94.9	Very high	90.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-41.7	178.2	-66.2	0	0	0	0	112.3	I753 W754 F759 Y760 M761 P768 L771 L772 L775 L960	I753-C757 PolarHBondContact O-N 3.2Å; I753-C757 PolarHBondContact O-SG 2.92Å; W754-C757 PolarHBondContact O-N 3.42Å; C757-F759 VanDerWaalsContact C-N 3.35Å; C757-F759 PolarHBondContact O-N 3.3Å; C757-Y760 PolarHBondContact O-N 3.36Å; C757-M761 VanDerWaalsContact O-CG 3.3Å; C757-M761 WeakPolarHBondContact O-CG 3.5Å; C757-M761 PolarHBondContact O-N 3.28Å; C757-P768 HydrophobicContact CB-CG 4.46Å; C757-L771 WeakPolarHBondContact SG-CB 3.46Å; C757-L772 HydrophobicContact CB-CD2 3.8Å; C757-L775 HydrophobicContact CB-CD1 4.03Å; C757-L960 HydrophobicContact CB-CD1 3.88Å; C757-L960 HydrophobicContact CB-CD2 4.28Å
758	D	92.5	Very high	90.7	Very high	29 Å²	29	36.1 Å²	36.1	16%	0.155	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-44.1	175.5	-178.7	55.4	0	0	0	111.6	W754 L756 K762 L960	W754-D758 HydrophobicContact CE3-CB 4.05Å; W754-D758 HydrophobicContact CH2-CB 4.08Å; W754-D758 HydrophobicContact CZ3-CB 3.72Å; W754-D758 VanDerWaalsContact O-CB 3.32Å; W754-D758 WeakPolarHBondContact O-CB 3.19Å; W754-D758 PolarHBondContact O-N 3.26Å; L756-D758 VanDerWaalsContact C-N 3.3Å; L756-D758 PolarHBondContact O-N 2.99Å; D758-K762 VanDerWaalsContact O-CB 3.32Å; D758-K762 WeakPolarHBondContact O-CB 3.5Å; D758-K762 WeakPolarHBondContact O-CD 3.47Å; D758-K762 VanDerWaalsContact O-CG 3.27Å; D758-K762 WeakPolarHBondContact O-CG 3.44Å; D758-K762 PolarHBondContact O-N 2.91Å; D758-K762 WeakPolarHBondContact OD1-CE 3.16Å; D758-K762 IonicContact OD1-NZ 3.82Å; D758-K762 PolarHBondContact OD1-NZ 3.27Å; D758-K762 IonicContact OD2-NZ 2.69Å; D758-K762 PolarHBondContact OD2-NZ 2.99Å; D758-L960 HydrophobicContact CB-CD1 3.95Å
759	F	92	Very high	90.7	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.057	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-54.7	172.7	-176.7	-88	0	0	0	111.3	L601 V605 K755 L756 C757 M761 K762 H763 L765	L601-F759 HydrophobicContact CD1-CE1 4.14Å; L601-F759 HydrophobicContact CD1-CE2 4.49Å; L601-F759 HydrophobicContact CD1-CZ 4Å; L601-F759 HydrophobicContact CD2-CD1 4.26Å; L601-F759 HydrophobicContact CD2-CD2 3.67Å; L601-F759 HydrophobicContact CD2-CE1 4.23Å; L601-F759 HydrophobicContact CD2-CE2 3.63Å; L601-F759 HydrophobicContact CD2-CG 4.01Å; L601-F759 HydrophobicContact CD2-CZ 3.94Å; L601-F759 HydrophobicContact CG-CD2 4.18Å; L601-F759 HydrophobicContact CG-CE1 4.1Å; L601-F759 HydrophobicContact CG-CE2 3.6Å; L601-F759 HydrophobicContact CG-CZ 3.57Å; V605-F759 HydrophobicContact CB-CE1 4.38Å; V605-F759 HydrophobicContact CB-CZ 4.21Å; V605-F759 HydrophobicContact CG1-CE1 4.26Å; V605-F759 HydrophobicContact CG1-CZ 4.4Å; V605-F759 HydrophobicContact CG2-CE1 3.97Å; V605-F759 HydrophobicContact CG2-CZ 4.06Å; K755-F759 WeakPolarHBondContact O-CB 3.26Å; K755-F759 PolarHBondContact O-N 3.39Å; L756-F759 WeakPolarHBondContact O-CB 3.45Å; L756-F759 PolarHBondContact O-N 2.96Å; L756-F759 VanDerWaalsContact O-N 3.14Å; C757-F759 VanDerWaalsContact C-N 3.35Å; C757-F759 PolarHBondContact O-N 3.3Å; F759-M761 VanDerWaalsContact C-N 3.3Å; F759-M761 PolarHBondContact O-N 2.84Å; F759-K762 PolarHBondContact O-N 2.8Å; F759-H763 AromaticContact CD1-CD2 3.85Å; F759-H763 AromaticContact CD2-CD2 3.22Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.28Å; F759-H763 AromaticContact CD2-NE2 3.31Å; F759-H763 VanDerWaalsContact CD2-NE2 3.31Å; F759-H763 WeakPolarHBondContact CD2-NE2 3.35Å; F759-H763 HydrophobicContact CE1-CB 4.49Å; F759-H763 AromaticContact CE1-CD2 3.84Å; F759-H763 AromaticContact CE2-CD2 3.2Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.37Å; F759-H763 AromaticContact CE2-NE2 3.26Å; F759-H763 VanDerWaalsContact CE2-NE2 3.26Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.46Å; F759-H763 AromaticContact CG-CD2 3.54Å; F759-H763 AromaticContact CZ-CD2 3.51Å; F759-H763 AromaticContact CZ-CG 3.95Å; F759-H763 PolarHBondContact O-CD2 2.68Å; F759-H763 PolarHBondContact O-N 3.09Å; F759-L765 HydrophobicContact CD1-CD1 4.26Å; F759-L765 HydrophobicContact CE1-CD1 3.99Å
760	Y	91.7	Very high	90.7	Very high	19 Å²	19	35.8 Å²	35.8	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-52	-47.8	-179.5	-90.3	-109.1	0	0	0	112	L611 V613 L756 C757 K764 L765 P766 P768	L611-Y760 HydrophobicContact CD2-CD2 4.4Å; L611-Y760 HydrophobicContact CD2-CE2 3.52Å; L611-Y760 HydrophobicContact CG-CE2 4.07Å; L611-Y760 WeakPolarHBondContact CG-OH 3.15Å; L611-Y760 PolarHBondContact O-OH 2.71Å; V613-Y760 HydrophobicContact CG2-CE2 4.29Å; L756-Y760 VanDerWaalsContact O-CD2 3.3Å; L756-Y760 WeakPolarHBondContact O-CD2 3.47Å; L756-Y760 PolarHBondContact O-N 3.13Å; C757-Y760 PolarHBondContact O-N 3.36Å; Y760-K764 PolarHBondContact O-N 2.99Å; Y760-L765 HydrophobicContact CD1-CB 3.39Å; Y760-L765 HydrophobicContact CD1-CD1 3.9Å; Y760-L765 HydrophobicContact CD1-CG 4.3Å; Y760-L765 HydrophobicContact CD2-CD1 4.22Å; Y760-L765 HydrophobicContact CE1-CB 4.03Å; Y760-L765 HydrophobicContact CE1-CD1 4.07Å; Y760-L765 HydrophobicContact CE2-CD1 4.41Å; Y760-L765 HydrophobicContact CG-CB 3.9Å; Y760-L765 HydrophobicContact CG-CD1 3.98Å; Y760-L765 PolarHBondContact O-N 3.33Å; Y760-P766 WeakPolarHBondContact CD1-O 3.4Å; Y760-P768 HydrophobicContact CD1-CB 4.38Å; Y760-P768 HydrophobicContact CD1-CG 4.31Å; Y760-P768 HydrophobicContact CG-CG 4.15Å
761	M	87.9	Confident	90.8	Very high	14 Å²	14	35.2 Å²	35.2	7%	0.069	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-44.5	177.2	-65.5	-60.4	-53.3	0	0	112.5	C757 F759 H763 K764 R767 E958 L960	C757-M761 VanDerWaalsContact O-CG 3.3Å; C757-M761 WeakPolarHBondContact O-CG 3.5Å; C757-M761 PolarHBondContact O-N 3.28Å; F759-M761 VanDerWaalsContact C-N 3.3Å; F759-M761 PolarHBondContact O-N 2.84Å; M761-H763 VanDerWaalsContact C-N 3.35Å; M761-H763 PolarHBondContact O-N 3.25Å; M761-K764 PolarHBondContact O-N 2.91Å; M761-R767 HydrophobicContact SD-CB 4.23Å; M761-R767 HydrophobicContact SD-CG 3.94Å; M761-E958 HydrophobicContact CE-CB 3.86Å; M761-E958 HydrophobicContact CE-CG 4.24Å; M761-L960 HydrophobicContact CG-CD2 4.07Å
762	K	85.1	Confident	90.9	Very high	88 Å²	88	31.5 Å²	31.5	38%	0.383	16%	0.16	S	C	.	.	H	α-helix	trans	-65.9	-32.8	-179	-79.8	168	175.5	160.4	0	113.8	I576 D758 F759	I576-K762 HydrophobicContact CD1-CB 4.29Å; D758-K762 VanDerWaalsContact O-CB 3.32Å; D758-K762 WeakPolarHBondContact O-CB 3.5Å; D758-K762 WeakPolarHBondContact O-CD 3.47Å; D758-K762 VanDerWaalsContact O-CG 3.27Å; D758-K762 WeakPolarHBondContact O-CG 3.44Å; D758-K762 PolarHBondContact O-N 2.91Å; D758-K762 WeakPolarHBondContact OD1-CE 3.16Å; D758-K762 IonicContact OD1-NZ 3.82Å; D758-K762 PolarHBondContact OD1-NZ 3.27Å; D758-K762 IonicContact OD2-NZ 2.69Å; D758-K762 PolarHBondContact OD2-NZ 2.99Å; F759-K762 PolarHBondContact O-N 2.8Å
763	H	83.9	Confident	90.9	Very high	25 Å²	25	32.1 Å²	32.1	12%	0.116	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	13.2	-176.4	-58.9	-74.2	0	0	0	113.8	E602 F759 M761 L765	E602-H763 IonicContact OE1-CE1 2.68Å; E602-H763 PolarHBondContact OE1-CE1 3.01Å; E602-H763 IonicContact OE1-ND1 2.82Å; E602-H763 PolarHBondContact OE1-ND1 3.43Å; E602-H763 IonicContact OE2-CE1 3.78Å; E602-H763 PolarHBondContact OE2-CE1 2.89Å; F759-H763 AromaticContact CD1-CD2 3.85Å; F759-H763 AromaticContact CD2-CD2 3.22Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.28Å; F759-H763 AromaticContact CD2-NE2 3.31Å; F759-H763 VanDerWaalsContact CD2-NE2 3.31Å; F759-H763 WeakPolarHBondContact CD2-NE2 3.35Å; F759-H763 HydrophobicContact CE1-CB 4.49Å; F759-H763 AromaticContact CE1-CD2 3.84Å; F759-H763 AromaticContact CE2-CD2 3.2Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.37Å; F759-H763 AromaticContact CE2-NE2 3.26Å; F759-H763 VanDerWaalsContact CE2-NE2 3.26Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.46Å; F759-H763 AromaticContact CG-CD2 3.54Å; F759-H763 AromaticContact CZ-CD2 3.51Å; F759-H763 AromaticContact CZ-CG 3.95Å; F759-H763 PolarHBondContact O-CD2 2.68Å; F759-H763 PolarHBondContact O-N 3.09Å; M761-H763 VanDerWaalsContact C-N 3.35Å; M761-H763 PolarHBondContact O-N 3.25Å; H763-L765 HydrophobicContact CB-CG 4.43Å; H763-L765 PolarHBondContact O-N 3.31Å
764	K	81.3	Confident	90.8	Very high	83 Å²	83	33.1 Å²	33.1	36%	0.361	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	32.4	-176.9	-63.2	-176.4	160.7	-167.6	0	114	D580 Y760 M761	D580-K764 IonicContact OD2-NZ 2.75Å; D580-K764 PolarHBondContact OD2-NZ 3.3Å; Y760-K764 PolarHBondContact O-N 2.99Å; M761-K764 PolarHBondContact O-N 2.91Å
765	L	85.9	Confident	90.8	Very high	25 Å²	25	31.9 Å²	31.9	13%	0.131	17%	0.172	C	C	.	.			trans	-74.4	155.6	167.3	-56.4	-175	0	0	0	109	V605 F759 Y760 H763 R767	V605-L765 HydrophobicContact CG1-CD1 4.12Å; V605-L765 HydrophobicContact CG1-CD2 3.97Å; F759-L765 HydrophobicContact CD1-CD1 4.26Å; F759-L765 HydrophobicContact CE1-CD1 3.99Å; Y760-L765 HydrophobicContact CD1-CB 3.39Å; Y760-L765 HydrophobicContact CD1-CD1 3.9Å; Y760-L765 HydrophobicContact CD1-CG 4.3Å; Y760-L765 HydrophobicContact CD2-CD1 4.22Å; Y760-L765 HydrophobicContact CE1-CB 4.03Å; Y760-L765 HydrophobicContact CE1-CD1 4.07Å; Y760-L765 HydrophobicContact CE2-CD1 4.41Å; Y760-L765 HydrophobicContact CG-CB 3.9Å; Y760-L765 HydrophobicContact CG-CD1 3.98Å; Y760-L765 PolarHBondContact O-N 3.33Å; H763-L765 HydrophobicContact CB-CG 4.43Å; H763-L765 PolarHBondContact O-N 3.31Å; L765-R767 PolarHBondContact O-N 3.48Å
766	P	87.6	Confident	90.7	Very high	67 Å²	67	31 Å²	31	44%	0.435	17%	0.172	S	C	.	.			trans	-51.2	130.7	177.4	-29.2	37.4	0	0	0	112	A338 Y760 P768	A338-P766 HydrophobicContact CB-CG 3.67Å; Y760-P766 WeakPolarHBondContact CD1-O 3.4Å; P766-P768 WeakPolarHBondContact O-CD 3.32Å; P766-P768 VanDerWaalsContact O-N 3.14Å
767	R	89.1	Confident	90.5	Very high	48 Å²	48	35.6 Å²	35.6	18%	0.181	19%	0.193	C	C	.	.			trans	-57.6	114.1	-175.3	176.9	174.8	173.5	88.3	-13.7	110	M761 L765 G769 L772 H1024 D1026	M761-R767 HydrophobicContact SD-CB 4.23Å; M761-R767 HydrophobicContact SD-CG 3.94Å; L765-R767 PolarHBondContact O-N 3.48Å; R767-G769 VanDerWaalsContact C-N 3.32Å; R767-G769 PolarHBondContact O-N 3.15Å; R767-L772 HydrophobicContact CG-CD1 3.74Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.35Å; R767-H1024 PolarHBondContact NE-CD2 2.86Å; R767-H1024 VanDerWaalsContact NE-CD2 3.26Å; R767-H1024 PolarHBondContact NE-NE2 2.99Å; R767-H1024 VanDerWaalsContact NE-NE2 3.15Å; R767-D1026 IonicContact NH2-OD2 2.76Å
768	P	92	Very high	90.3	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.045	21%	0.205	C	C	.	.			trans	-80.3	78.5	-168.3	32.2	-36.2	0	0	0	110.9	C757 Y760 P766 H770 L771 L772	C757-P768 HydrophobicContact CB-CG 4.46Å; Y760-P768 HydrophobicContact CD1-CB 4.38Å; Y760-P768 HydrophobicContact CD1-CG 4.31Å; Y760-P768 HydrophobicContact CG-CG 4.15Å; P766-P768 WeakPolarHBondContact O-CD 3.32Å; P766-P768 VanDerWaalsContact O-N 3.14Å; P768-H770 VanDerWaalsContact C-N 3.31Å; P768-H770 PolarHBondContact O-N 3.45Å; P768-L771 HydrophobicContact CB-CB 4.12Å; P768-L771 HydrophobicContact CB-CD1 3.94Å; P768-L771 HydrophobicContact CB-CG 4.09Å; P768-L771 HydrophobicContact CG-CB 4.42Å; P768-L771 HydrophobicContact CG-CD1 4.41Å; P768-L771 PolarHBondContact O-N 3.46Å; P768-L772 WeakPolarHBondContact O-CG 3.22Å; P768-L772 PolarHBondContact O-N 3.45Å
769	G	90.8	Very high	90	Very high	41 Å²	41	38.3 Å²	38.3	42%	0.423	20%	0.201	S	C	.	.	H	α-helix	trans	-55.1	-41.9	-168	0	0	0	0	0	113.8	R767 L772 G773	R767-G769 VanDerWaalsContact C-N 3.32Å; R767-G769 PolarHBondContact O-N 3.15Å; G769-L772 PolarHBondContact O-N 3.04Å; G769-G773 PolarHBondContact O-N 3.25Å
770	H	91.3	Very high	89.8	Confident	91 Å²	91	40.4 Å²	40.4	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-43.4	177	-177.7	-124.9	0	0	0	112.7	P768 L772 G773 I774	P768-H770 VanDerWaalsContact C-N 3.31Å; P768-H770 PolarHBondContact O-N 3.45Å; H770-L772 PolarHBondContact O-N 3.44Å; H770-G773 PolarHBondContact O-N 2.74Å; H770-I774 PolarHBondContact O-N 2.96Å
771	L	95.1	Very high	89.5	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-37.5	178.6	-59.3	-172.8	0	0	0	111.9	V613 V615 I753 C757 P768 G773 I774 L775	V613-L771 HydrophobicContact CB-CD1 4.18Å; V613-L771 HydrophobicContact CG1-CD1 3.94Å; V613-L771 HydrophobicContact CG1-CD2 4.07Å; V613-L771 HydrophobicContact CG2-CD1 4.47Å; V615-L771 HydrophobicContact CG2-CD2 3.41Å; V615-L771 VanDerWaalsContact CG2-CD2 3.41Å; I753-L771 HydrophobicContact CG2-CB 3.93Å; I753-L771 HydrophobicContact CG2-CD2 4.35Å; C757-L771 WeakPolarHBondContact SG-CB 3.46Å; P768-L771 HydrophobicContact CB-CB 4.12Å; P768-L771 HydrophobicContact CB-CD1 3.94Å; P768-L771 HydrophobicContact CB-CG 4.09Å; P768-L771 HydrophobicContact CG-CB 4.42Å; P768-L771 HydrophobicContact CG-CD1 4.41Å; P768-L771 PolarHBondContact O-N 3.46Å; L771-G773 VanDerWaalsContact C-N 3.32Å; L771-I774 HydrophobicContact CD2-CD1 4.44Å; L771-I774 PolarHBondContact O-N 2.93Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.36Å
772	L	94.4	Very high	89.3	Confident	11 Å²	11	46 Å²	46	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-38.4	173.9	-62.8	-180	0	0	0	111.6	C757 R767 P768 G769 H770 I774 L775 S776 L804 L960	C757-L772 HydrophobicContact CB-CD2 3.8Å; R767-L772 HydrophobicContact CG-CD1 3.74Å; P768-L772 WeakPolarHBondContact O-CG 3.22Å; P768-L772 PolarHBondContact O-N 3.45Å; G769-L772 PolarHBondContact O-N 3.04Å; H770-L772 PolarHBondContact O-N 3.44Å; L772-I774 PolarHBondContact O-N 3.21Å; L772-L775 HydrophobicContact CD2-CD1 4.28Å; L772-L775 WeakPolarHBondContact O-CB 3.35Å; L772-L775 PolarHBondContact O-N 3.46Å; L772-S776 PolarHBondContact O-N 3.42Å; L772-S776 PolarHBondContact O-OG 3.36Å; L772-L804 HydrophobicContact CB-CD2 4.21Å; L772-L804 HydrophobicContact CD2-CD1 4.24Å; L772-L804 HydrophobicContact CD2-CD2 4.3Å; L772-L960 HydrophobicContact CD2-CD2 3.62Å
773	G	93.3	Very high	88.9	Confident	35 Å²	35	43.1 Å²	43.1	36%	0.361	23%	0.227	S	C	.	.	H	α-helix	trans	-57.4	-44.6	174.2	0	0	0	0	0	113.1	G769 H770 L771 L775 S776 Q777	G769-G773 PolarHBondContact O-N 3.25Å; H770-G773 PolarHBondContact O-N 2.74Å; L771-G773 VanDerWaalsContact C-N 3.32Å; G773-L775 VanDerWaalsContact C-N 3.34Å; G773-L775 PolarHBondContact O-N 2.76Å; G773-S776 WeakPolarHBondContact CA-OG 3.25Å; G773-S776 PolarHBondContact O-N 3.15Å; G773-S776 PolarHBondContact O-OG 2.77Å; G773-Q777 WeakPolarHBondContact O-CB 3.25Å; G773-Q777 PolarHBondContact O-N 3.12Å
774	I	93.9	Very high	88.4	Confident	21 Å²	21	48.2 Å²	48.2	11%	0.108	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-42.6	175.7	-63	166.5	0	0	0	111	V615 I753 H770 L771 L772 Q777 R778	V615-I774 HydrophobicContact CB-CD1 4.29Å; V615-I774 HydrophobicContact CG1-CD1 3.76Å; V615-I774 HydrophobicContact CG2-CD1 3.73Å; I753-I774 HydrophobicContact CD1-CG2 4.21Å; H770-I774 PolarHBondContact O-N 2.96Å; L771-I774 HydrophobicContact CD2-CD1 4.44Å; L771-I774 PolarHBondContact O-N 2.93Å; L772-I774 PolarHBondContact O-N 3.21Å; I774-Q777 PolarHBondContact O-N 3.03Å; I774-R778 HydrophobicContact CG2-CG 4.4Å; I774-R778 WeakPolarHBondContact O-CB 3.49Å; I774-R778 VanDerWaalsContact O-CG 3.25Å; I774-R778 WeakPolarHBondContact O-CG 3.45Å; I774-R778 PolarHBondContact O-N 2.6Å
775	L	94.1	Very high	88	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-44.4	177.9	-63.7	173.7	0	0	0	111.8	V750 I753 W754 C757 L771 L772 G773 R779 L804	V750-L775 HydrophobicContact CG1-CD2 3.77Å; I753-L775 HydrophobicContact CB-CD2 4.31Å; I753-L775 HydrophobicContact CG2-CD1 4.41Å; I753-L775 HydrophobicContact CG2-CD2 3.97Å; I753-L775 HydrophobicContact CG2-CG 4.04Å; W754-L775 HydrophobicContact CB-CD1 4.32Å; W754-L775 HydrophobicContact CB-CD2 3.91Å; W754-L775 HydrophobicContact CG-CD1 4.43Å; C757-L775 HydrophobicContact CB-CD1 4.03Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.36Å; L772-L775 HydrophobicContact CD2-CD1 4.28Å; L772-L775 WeakPolarHBondContact O-CB 3.35Å; L772-L775 PolarHBondContact O-N 3.46Å; G773-L775 VanDerWaalsContact C-N 3.34Å; G773-L775 PolarHBondContact O-N 2.76Å; L775-R779 VanDerWaalsContact O-CG 3.31Å; L775-R779 WeakPolarHBondContact O-CG 3.39Å; L775-R779 PolarHBondContact O-N 3.25Å; L775-L804 HydrophobicContact CB-CD2 4.3Å
776	S	92.9	Very high	87	Confident	25 Å²	25	55.8 Å²	55.8	18%	0.175	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-40.7	177.5	46.8	0	0	0	0	113	L772 G773 R779 L780	L772-S776 PolarHBondContact O-N 3.42Å; L772-S776 PolarHBondContact O-OG 3.36Å; G773-S776 WeakPolarHBondContact CA-OG 3.25Å; G773-S776 PolarHBondContact O-N 3.15Å; G773-S776 PolarHBondContact O-OG 2.77Å; S776-R779 PolarHBondContact O-N 3.24Å; S776-L780 PolarHBondContact O-N 3.16Å
777	Q	91.1	Very high	85.9	Confident	96 Å²	96	60.6 Å²	60.6	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-46	179.2	175.6	57.2	24.3	0	0	111.2	G773 I774 R779 L780 E781	G773-Q777 WeakPolarHBondContact O-CB 3.25Å; G773-Q777 PolarHBondContact O-N 3.12Å; I774-Q777 PolarHBondContact O-N 3.03Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.25Å; Q777-L780 WeakPolarHBondContact O-CB 3.33Å; Q777-L780 PolarHBondContact O-N 2.99Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.48Å; Q777-E781 PolarHBondContact NE2-OE1 3.33Å; Q777-E781 PolarHBondContact O-N 2.96Å; Q777-E781 VanDerWaalsContact O-N 3.16Å
778	R	89.6	Confident	84.6	Confident	66 Å²	66	60 Å²	60	25%	0.249	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-32.4	177.5	-72.8	-76.3	-176.1	-144.7	2.3	113.2	P747 V750 I774 L780 E781 E782	P747-R778 PolarHBondContact O-NE 3.12Å; P747-R778 PolarHBondContact O-NH2 3.26Å; V750-R778 HydrophobicContact CG1-CB 4.31Å; V750-R778 HydrophobicContact CG2-CB 4.18Å; V750-R778 HydrophobicContact CG2-CG 3.71Å; I774-R778 HydrophobicContact CG2-CG 4.4Å; I774-R778 WeakPolarHBondContact O-CB 3.49Å; I774-R778 VanDerWaalsContact O-CG 3.25Å; I774-R778 WeakPolarHBondContact O-CG 3.45Å; I774-R778 PolarHBondContact O-N 2.6Å; R778-L780 VanDerWaalsContact C-N 3.3Å; R778-L780 PolarHBondContact O-N 3.06Å; R778-E781 WeakPolarHBondContact CD-OE2 3.26Å; R778-E781 IonicContact CZ-OE2 3.83Å; R778-E781 IonicContact NE-OE2 3.58Å; R778-E781 IonicContact NH1-OE2 3.6Å; R778-E781 PolarHBondContact NH1-OE2 3.06Å; R778-E781 PolarHBondContact O-N 3.16Å; R778-E782 WeakPolarHBondContact O-CB 3.36Å; R778-E782 WeakPolarHBondContact O-CG 3.49Å; R778-E782 PolarHBondContact O-N 3.11Å
779	R	88	Confident	82.9	Confident	19 Å²	19	65.8 Å²	65.8	7%	0.072	35%	0.345	C	S	.	.	H	α-helix	trans	-69.8	-22.8	175.6	-69.9	-72.9	177.2	-102.9	-14.5	114	L775 S776 Q777 E782 R805 H806 H812	L775-R779 VanDerWaalsContact O-CG 3.31Å; L775-R779 WeakPolarHBondContact O-CG 3.39Å; L775-R779 PolarHBondContact O-N 3.25Å; S776-R779 PolarHBondContact O-N 3.24Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.25Å; R779-E782 WeakPolarHBondContact CD-OE2 3.47Å; R779-E782 IonicContact CZ-OE2 2.69Å; R779-E782 IonicContact NE-OE2 3.35Å; R779-E782 IonicContact NH1-OE1 3.34Å; R779-E782 PolarHBondContact NH1-OE1 2.88Å; R779-E782 IonicContact NH1-OE2 3.04Å; R779-E782 PolarHBondContact NH1-OE2 3.01Å; R779-R805 PolarHBondContact NE-O 2.87Å; R779-R805 PolarHBondContact NH2-O 3.29Å; R779-H806 PolarHBondContact NH2-O 3.3Å; R779-H812 PolarHBondContact O-ND1 3.1Å
780	L	85.9	Confident	81.7	Confident	58 Å²	58	65.1 Å²	65.1	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-77.1	-53.1	170.6	-63.1	172.3	0	0	0	109.5	S776 Q777 R778 E782 Q783 E784 M797 H812	S776-L780 PolarHBondContact O-N 3.16Å; Q777-L780 WeakPolarHBondContact O-CB 3.33Å; Q777-L780 PolarHBondContact O-N 2.99Å; R778-L780 VanDerWaalsContact C-N 3.3Å; R778-L780 PolarHBondContact O-N 3.06Å; L780-E782 PolarHBondContact O-N 3.24Å; L780-Q783 CarbonylContact O-C 3.54Å; L780-Q783 WeakPolarHBondContact O-CA 3.46Å; L780-Q783 PolarHBondContact O-N 2.95Å; L780-E784 PolarHBondContact O-N 2.86Å; L780-M797 HydrophobicContact CD2-CE 3.78Å; L780-H812 HydrophobicContact CD2-CB 4.17Å
781	E	86.8	Confident	80.7	Confident	68 Å²	68	69.4 Å²	69.4	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-56.9	-43.9	-179.4	-65.7	169.3	-173.5	0	0	113.2	Q777 R778 Q783 E784 L785	Q777-E781 WeakPolarHBondContact CG-OE1 3.48Å; Q777-E781 PolarHBondContact NE2-OE1 3.33Å; Q777-E781 PolarHBondContact O-N 2.96Å; Q777-E781 VanDerWaalsContact O-N 3.16Å; R778-E781 WeakPolarHBondContact CD-OE2 3.26Å; R778-E781 IonicContact CZ-OE2 3.83Å; R778-E781 IonicContact NE-OE2 3.58Å; R778-E781 IonicContact NH1-OE2 3.6Å; R778-E781 PolarHBondContact NH1-OE2 3.06Å; R778-E781 PolarHBondContact O-N 3.16Å; E781-Q783 PolarHBondContact O-N 3.03Å; E781-Q783 VanDerWaalsContact O-N 3.15Å; E781-E784 PolarHBondContact O-N 3.21Å; E781-E784 VanDerWaalsContact O-N 3.12Å; E781-L785 PolarHBondContact O-N 2.95Å; E781-L785 VanDerWaalsContact O-N 3.15Å
782	E	82.5	Confident	80.1	Confident	81 Å²	81	71.6 Å²	71.6	38%	0.379	36%	0.362	S	S	.	.	H	α-helix	trans	-54.5	-32.5	174.8	-79.8	169.8	175.6	0	0	112.4	R778 R779 L780 H786	R778-E782 WeakPolarHBondContact O-CB 3.36Å; R778-E782 WeakPolarHBondContact O-CG 3.49Å; R778-E782 PolarHBondContact O-N 3.11Å; R779-E782 WeakPolarHBondContact CD-OE2 3.47Å; R779-E782 IonicContact CZ-OE2 2.69Å; R779-E782 IonicContact NE-OE2 3.35Å; R779-E782 IonicContact NH1-OE1 3.34Å; R779-E782 PolarHBondContact NH1-OE1 2.88Å; R779-E782 IonicContact NH1-OE2 3.04Å; R779-E782 PolarHBondContact NH1-OE2 3.01Å; L780-E782 PolarHBondContact O-N 3.24Å; E782-H786 PolarHBondContact O-N 3.43Å; E782-H786 PolarHBondContact O-ND1 3Å
783	Q	76.8	Confident	79.7	Confident	29 Å²	29	72 Å²	72	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-96.6	-9.9	-178.2	-161.3	-140.7	-55.4	0	0	113.6	L780 E781 H786 H812	L780-Q783 CarbonylContact O-C 3.54Å; L780-Q783 WeakPolarHBondContact O-CA 3.46Å; L780-Q783 PolarHBondContact O-N 2.95Å; E781-Q783 PolarHBondContact O-N 3.03Å; E781-Q783 VanDerWaalsContact O-N 3.15Å; Q783-H786 CarbonylContact C-O 3.48Å; Q783-H812 VanDerWaalsContact OE1-CA 3.28Å; Q783-H812 VanDerWaalsContact OE1-CB 3.24Å; Q783-H812 PolarHBondContact OE1-ND1 2.84Å
784	E	74.6	Confident	79.6	Confident	132 Å²	132	70.4 Å²	70.4	62%	0.617	35%	0.348	S	S	*	.	H	α-helix	trans	-78.6	-30	163.9	-58.1	-146.1	119.4	0	0	110.7	L780 E781 K1041	L780-E784 PolarHBondContact O-N 2.86Å; E781-E784 PolarHBondContact O-N 3.21Å; E781-E784 VanDerWaalsContact O-N 3.12Å; E784-K1041 IonicContact OE1-NZ 2.69Å; E784-K1041 PolarHBondContact OE1-NZ 3.26Å
785	L	71.8	Confident	79.4	Confident	146 Å²	146	75 Å²	75	76%	0.764	37%	0.369	S	S	*	.	H	α-helix	trans	-77.7	-32.1	175.3	-167.4	67.4	0	0	0	113.6	E781	E781-L785 PolarHBondContact O-N 2.95Å; E781-L785 VanDerWaalsContact O-N 3.15Å
786	H	66.3	Low	79.4	Confident	121 Å²	121	75.2 Å²	75.2	56%	0.56	37%	0.369	S	S	*	.	S	Bend	trans	-113.6	121.8	179.3	-58.1	85.2	0	0	0	110.6	E782 Q783	E782-H786 PolarHBondContact O-N 3.43Å; E782-H786 PolarHBondContact O-ND1 3Å; Q783-H786 CarbonylContact C-O 3.48Å
787	Q	63	Low	79.3	Confident	167 Å²	167	74.3 Å²	74.3	78%	0.78	36%	0.363	S	S	*	.			trans	-51.3	140.8	175.2	-70	-173.4	-2.6	0	0	111.2	T789	Q787-T789 PolarHBondContact O-N 2.78Å
788	P	62	Low	79.4	Confident	36 Å²	36	70.9 Å²	70.9	23%	0.234	35%	0.351	C	S	.	.			trans	-66.9	96.7	-171.2	26.4	-34.8	0	0	0	111.8	S790 R811	P788-S790 PolarHBondContact O-N 3.27Å; P788-R811 HydrophobicContact CB-CG 4.48Å
789	T	56.9	Low	79.5	Confident	129 Å²	129	68 Å²	68	79%	0.791	34%	0.341	S	S	*	.			trans	-67.4	-16.2	-178.3	50.4	0	0	0	0	114.3	Q787	Q787-T789 PolarHBondContact O-N 2.78Å
790	S	65.1	Low	79.8	Confident	27 Å²	27	68.1 Å²	68.1	19%	0.189	34%	0.342	C	S	.	.			trans	-112.7	133.7	173.6	178.2	0	0	0	0	111.6	P788 S792 M809	P788-S790 PolarHBondContact O-N 3.27Å; S790-S792 VanDerWaalsContact C-N 3.27Å; S790-S792 PolarHBondContact O-N 3.03Å; S790-S792 PolarHBondContact OG-N 2.68Å; S790-S792 VanDerWaalsContact OG-N 3.12Å; S790-S792 PolarHBondContact OG-OG 2.94Å; S790-M809 WeakPolarHBondContact CB-O 3.46Å
791	R	70.6	Confident	80.1	Confident	180 Å²	180	65.9 Å²	65.9	68%	0.679	33%	0.333	S	S	*	.	S	Bend	trans	-67	-26.8	170.7	-65.4	-178.6	177.5	-178.4	-1.4	112.4	R811 W815	R791-R811 PolarHBondContact O-NE 3.21Å; R791-R811 PolarHBondContact O-NH2 3.35Å; R791-W815 HydrophobicContact CB-CH2 4.35Å; R791-W815 WeakPolarHBondContact O-CH2 3.48Å
792	S	81.7	Confident	80.4	Confident	55 Å²	55	63.1 Å²	63.1	39%	0.385	32%	0.32	S	S	.	.	S	Bend	trans	-90.8	133	-171.1	57.7	0	0	0	0	113.8	S790 Y810 R811	S790-S792 VanDerWaalsContact C-N 3.27Å; S790-S792 PolarHBondContact O-N 3.03Å; S790-S792 PolarHBondContact OG-N 2.68Å; S790-S792 VanDerWaalsContact OG-N 3.12Å; S790-S792 PolarHBondContact OG-OG 2.94Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.44Å; S792-R811 PolarHBondContact O-N 2.83Å
793	L	87.1	Confident	80.9	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.11	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-66.1	139.1	176.2	-170.2	67.9	0	0	0	111.2	H795 M797 A798 R811	L793-H795 PolarHBondContact O-N 3.26Å; L793-M797 HydrophobicContact CD1-CG 4.45Å; L793-A798 HydrophobicContact CD2-CB 3.78Å; L793-A798 HydrophobicContact CG-CB 4.17Å; L793-R811 CarbonylContact C-O 3.55Å; L793-R811 WeakPolarHBondContact CA-O 3.29Å
794	C	90.7	Very high	81.7	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.2	125.3	-178	177.7	0	0	0	0	110.6	Q796 M797 A798 R811 H812	C794-Q796 PolarHBondContact O-N 2.88Å; C794-Q796 VanDerWaalsContact O-N 3.13Å; C794-M797 HydrophobicContact CB-CB 3.92Å; C794-M797 WeakPolarHBondContact O-CB 3.5Å; C794-M797 PolarHBondContact O-N 3.44Å; C794-A798 PolarHBondContact O-N 3.42Å; C794-R811 VanDerWaalsContact CB-O 3.32Å; C794-R811 WeakPolarHBondContact CB-O 3.12Å; C794-R811 PolarHBondContact N-O 3.43Å; C794-H812 VanDerWaalsContact CB-CD2 3.4Å; C794-H812 WeakPolarHBondContact CB-CD2 3.36Å
795	H	90.2	Very high	82.5	Confident	118 Å²	118	54.6 Å²	54.6	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.4	-177.4	-76	38.5	0	0	0	114.9	L793 A799	L793-H795 PolarHBondContact O-N 3.26Å; H795-A799 VanDerWaalsContact O-CB 3.22Å; H795-A799 WeakPolarHBondContact O-CB 3.34Å
796	Q	93.4	Very high	83.2	Confident	5 Å²	5	50.3 Å²	50.3	2%	0.023	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-45.6	168.5	-71.9	-162.1	4	0	0	111.2	C794 A798 A799 F800 D802 L960 D961 R962	C794-Q796 PolarHBondContact O-N 2.88Å; C794-Q796 VanDerWaalsContact O-N 3.13Å; Q796-A798 PolarHBondContact O-N 2.79Å; Q796-A799 PolarHBondContact O-N 2.92Å; Q796-A799 VanDerWaalsContact O-N 3.07Å; Q796-F800 HydrophobicContact CB-CD2 4.31Å; Q796-F800 WeakPolarHBondContact O-CD2 3.38Å; Q796-F800 PolarHBondContact O-N 3.33Å; Q796-D802 CarbonylContact C-O 3.57Å; Q796-D802 VanDerWaalsContact C-O 3.23Å; Q796-D802 WeakPolarHBondContact CB-O 3.48Å; Q796-L960 PolarHBondContact NE2-O 3.47Å; Q796-D961 PolarHBondContact NE2-O 2.96Å; Q796-R962 VanDerWaalsContact OE1-NH1 3.1Å
797	M	92.3	Very high	84	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-50.6	177.7	-179.5	53.4	80.2	0	0	111	L780 L793 C794 A799 F800 G801 D802 H812 M1036	L780-M797 HydrophobicContact CD2-CE 3.78Å; L793-M797 HydrophobicContact CD1-CG 4.45Å; C794-M797 HydrophobicContact CB-CB 3.92Å; C794-M797 WeakPolarHBondContact O-CB 3.5Å; C794-M797 PolarHBondContact O-N 3.44Å; M797-A799 PolarHBondContact O-N 2.92Å; M797-F800 PolarHBondContact O-N 3.26Å; M797-G801 WeakPolarHBondContact O-CA 3.44Å; M797-G801 PolarHBondContact O-N 2.85Å; M797-G801 VanDerWaalsContact SD-O 3.38Å; M797-D802 PolarHBondContact N-O 2.89Å; M797-H812 HydrophobicContact CE-CB 3.94Å; M797-H812 HydrophobicContact CG-CB 4.42Å; M797-M1036 HydrophobicContact CG-CG 4.19Å; M797-M1036 HydrophobicContact CG-SD 3.59Å; M797-M1036 VanDerWaalsContact CG-SD 3.59Å; M797-M1036 HydrophobicContact SD-CB 4.13Å; M797-M1036 HydrophobicContact SD-CG 3.83Å; M797-M1036 HydrophobicContact SD-SD 3.7Å; M797-M1036 VanDerWaalsContact SD-SD 3.7Å
798	A	91.4	Very high	85.1	Confident	24 Å²	24	45.7 Å²	45.7	20%	0.198	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-7	177.1	0	0	0	0	0	115.4	L793 C794 Q796	L793-A798 HydrophobicContact CD2-CB 3.78Å; L793-A798 HydrophobicContact CG-CB 4.17Å; C794-A798 PolarHBondContact O-N 3.42Å; Q796-A798 PolarHBondContact O-N 2.79Å
799	A	92.6	Very high	86.2	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-119.3	-27	-176.5	0	0	0	0	0	113.9	H795 Q796 M797 R951	H795-A799 VanDerWaalsContact O-CB 3.22Å; H795-A799 WeakPolarHBondContact O-CB 3.34Å; Q796-A799 PolarHBondContact O-N 2.92Å; Q796-A799 VanDerWaalsContact O-N 3.07Å; M797-A799 PolarHBondContact O-N 2.92Å; A799-R951 VanDerWaalsContact CB-NH1 3.31Å
800	F	93.8	Very high	87.6	Confident	22 Å²	22	49.1 Å²	49.1	10%	0.096	24%	0.235	C	C	.	.	H	α-helix	trans	-134.5	-6	-170.8	-52.3	-68.6	0	0	0	113.8	Q796 M797 D802 Q956 R962 K1032	Q796-F800 HydrophobicContact CB-CD2 4.31Å; Q796-F800 WeakPolarHBondContact O-CD2 3.38Å; Q796-F800 PolarHBondContact O-N 3.33Å; M797-F800 PolarHBondContact O-N 3.26Å; F800-D802 PolarHBondContact O-N 2.9Å; F800-Q956 HydrophobicContact CE1-CB 3.84Å; F800-Q956 HydrophobicContact CZ-CB 4.1Å; F800-R962 VanDerWaalsContact CD2-CD 3.43Å; F800-R962 HydrophobicContact CE2-CB 4.16Å; F800-R962 VanDerWaalsContact CE2-CD 3.43Å; F800-R962 HydrophobicContact CE2-CG 4.44Å; F800-K1032 WeakPolarHBondContact O-CB 3.45Å; F800-K1032 WeakPolarHBondContact O-CD 3.32Å
801	G	92.9	Very high	88.7	Confident	12 Å²	12	48 Å²	48	12%	0.124	23%	0.227	C	C	.	.	S	Bend	trans	69.9	10.7	-175.4	0	0	0	0	0	114.7	M797	M797-G801 WeakPolarHBondContact O-CA 3.44Å; M797-G801 PolarHBondContact O-N 2.85Å; M797-G801 VanDerWaalsContact SD-O 3.38Å
802	D	93.8	Very high	89.7	Confident	9 Å²	9	39.9 Å²	39.9	5%	0.048	20%	0.196	C	C	.	.	S	Bend	trans	-150.9	167.6	176.3	62.4	12.1	0	0	0	111.8	Q796 M797 F800 R962 K1032	Q796-D802 CarbonylContact C-O 3.57Å; Q796-D802 VanDerWaalsContact C-O 3.23Å; Q796-D802 WeakPolarHBondContact CB-O 3.48Å; M797-D802 PolarHBondContact N-O 2.89Å; F800-D802 PolarHBondContact O-N 2.9Å; D802-R962 PolarHBondContact O-NH1 3.17Å; D802-R962 IonicContact OD1-CZ 2.71Å; D802-R962 IonicContact OD1-NH1 2.66Å; D802-R962 PolarHBondContact OD1-NH1 2.87Å; D802-R962 IonicContact OD1-NH2 2.63Å; D802-R962 PolarHBondContact OD1-NH2 3.07Å; D802-R962 IonicContact OD2-NH2 3.93Å; D802-R962 PolarHBondContact OD2-NH2 3.2Å; D802-K1032 HydrophobicContact CB-CD 4.39Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D802-K1032 IonicContact OD2-NZ 2.68Å; D802-K1032 PolarHBondContact OD2-NZ 2.73Å
803	C	93.1	Very high	90	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	18%	0.183	C	C	.	.			trans	-130.8	125.1	177.2	-173.1	0	0	0	0	110.8	H812	C803-H812 PolarHBondContact SG-NE2 3.46Å
804	L	93.1	Very high	90.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.178	C	C	.	.			trans	-114.1	8.3	-178.4	-59.2	178.4	0	0	0	112.9	W754 L772 L775 L960	W754-L804 PolarHBondContact NE1-O 2.9Å; L772-L804 HydrophobicContact CB-CD2 4.21Å; L772-L804 HydrophobicContact CD2-CD1 4.24Å; L772-L804 HydrophobicContact CD2-CD2 4.3Å; L775-L804 HydrophobicContact CB-CD2 4.3Å; L804-L960 HydrophobicContact CB-CB 4.47Å; L804-L960 HydrophobicContact CD1-CD2 4.39Å
805	R	89.8	Confident	90	Very high	61 Å²	61	38.8 Å²	38.8	23%	0.23	18%	0.184	C	C	.	.			trans	-63.3	144.5	179.8	-68.8	177.6	166.1	175.3	-7.3	111.9	R779 K807 C808 Y810	R779-R805 PolarHBondContact NE-O 2.87Å; R779-R805 PolarHBondContact NH2-O 3.29Å; R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.47Å; R805-K807 PolarHBondContact O-N 2.92Å; R805-C808 HydrophobicContact CB-CB 4.27Å; R805-Y810 VanDerWaalsContact NH1-CD2 3.29Å
806	H	86.6	Confident	89.9	Confident	56 Å²	56	39.8 Å²	39.8	26%	0.259	18%	0.183	S	C	.	.	S	Bend	trans	-61.9	-36.8	178.4	-175.9	-118.6	0	0	0	113.1	E751 W754 R779	E751-H806 IonicContact OE1-CE1 3.19Å; E751-H806 IonicContact OE1-NE2 2.74Å; E751-H806 PolarHBondContact OE1-NE2 3.47Å; E751-H806 IonicContact OE2-CD2 2.81Å; E751-H806 IonicContact OE2-CE1 2.85Å; E751-H806 IonicContact OE2-NE2 3.2Å; E751-H806 PolarHBondContact OE2-NE2 3.3Å; W754-H806 HydrophobicContact CD2-CB 4.03Å; W754-H806 AromaticContact CD2-CD2 3.61Å; W754-H806 HydrophobicContact CE3-CB 4.39Å; W754-H806 AromaticContact CE3-CD2 3.71Å; W754-H806 AromaticContact CG-CD2 3.88Å; W754-H806 HydrophobicContact CH2-CB 4.11Å; W754-H806 HydrophobicContact CZ2-CB 3.7Å; W754-H806 HydrophobicContact CZ3-CB 4.43Å; R779-H806 PolarHBondContact NH2-O 3.3Å
807	K	84.7	Confident	89.5	Confident	163 Å²	163	43.8 Å²	43.8	71%	0.709	21%	0.205	S	C	*	.	S	Bend	trans	-142.5	149.4	165.8	-62	-173.5	180	-174.8	0	108.1	R805	R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.47Å; R805-K807 PolarHBondContact O-N 2.92Å
808	C	86.1	Confident	89.2	Confident	28 Å²	28	44.5 Å²	44.5	19%	0.189	21%	0.208	C	C	.	.			trans	-145.4	124.1	179	-163.8	0	0	0	0	111.1	R805 H812	R805-C808 HydrophobicContact CB-CB 4.27Å; C808-H812 PolarHBondContact SG-NE2 3.49Å
809	M	84.1	Confident	89	Confident	141 Å²	141	44.6 Å²	44.6	70%	0.695	21%	0.206	S	C	*	.			trans	-96.1	10.8	178.6	-52	-55.6	-66.5	0	0	112.8	S790	S790-M809 WeakPolarHBondContact CB-O 3.46Å
810	Y	86.8	Confident	88.8	Confident	96 Å²	96	50.7 Å²	50.7	38%	0.376	24%	0.238	S	C	.	.	S	Bend	trans	-104.2	151.9	-175.5	-63.7	-96.3	0	0	0	110.6	S792 R805 H812	S792-Y810 WeakPolarHBondContact OG-CD1 3.44Å; R805-Y810 VanDerWaalsContact NH1-CD2 3.29Å; Y810-H812 PolarHBondContact O-CE1 2.99Å; Y810-H812 PolarHBondContact O-ND1 3.3Å
811	R	89.1	Confident	88.6	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.015	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-65.4	132.7	175.1	171.4	169.7	60.1	90.5	-5.9	110.4	P788 R791 S792 L793 C794 V813 W815 E818	P788-R811 HydrophobicContact CB-CG 4.48Å; R791-R811 PolarHBondContact O-NE 3.21Å; R791-R811 PolarHBondContact O-NH2 3.35Å; S792-R811 PolarHBondContact O-N 2.83Å; L793-R811 CarbonylContact C-O 3.55Å; L793-R811 WeakPolarHBondContact CA-O 3.29Å; C794-R811 VanDerWaalsContact CB-O 3.32Å; C794-R811 WeakPolarHBondContact CB-O 3.12Å; C794-R811 PolarHBondContact N-O 3.43Å; R811-V813 VanDerWaalsContact CD-O 3.27Å; R811-V813 WeakPolarHBondContact CD-O 3.49Å; R811-V813 WeakPolarHBondContact CG-O 3.05Å; R811-V813 PolarHBondContact NH1-O 2.83Å; R811-W815 VanDerWaalsContact NH2-CZ3 3.35Å; R811-E818 IonicContact CZ-OE1 2.94Å; R811-E818 IonicContact CZ-OE2 2.62Å; R811-E818 IonicContact NH1-OE1 3.9Å; R811-E818 IonicContact NH1-OE2 2.73Å; R811-E818 PolarHBondContact NH1-OE2 2.72Å; R811-E818 IonicContact NH2-OE1 2.69Å; R811-E818 PolarHBondContact NH2-OE1 3.26Å; R811-E818 IonicContact NH2-OE2 3.16Å; R811-E818 PolarHBondContact NH2-OE2 3.06Å
812	H	90.6	Very high	88.5	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.037	24%	0.243	C	C	.	.			trans	-108.4	6.2	174.1	-48.3	107.3	0	0	0	112.8	R779 L780 Q783 C794 M797 C803 C808 Y810	R779-H812 PolarHBondContact O-ND1 3.1Å; L780-H812 HydrophobicContact CD2-CB 4.17Å; Q783-H812 VanDerWaalsContact OE1-CA 3.28Å; Q783-H812 VanDerWaalsContact OE1-CB 3.24Å; Q783-H812 PolarHBondContact OE1-ND1 2.84Å; C794-H812 VanDerWaalsContact CB-CD2 3.4Å; C794-H812 WeakPolarHBondContact CB-CD2 3.36Å; M797-H812 HydrophobicContact CE-CB 3.94Å; M797-H812 HydrophobicContact CG-CB 4.42Å; C803-H812 PolarHBondContact SG-NE2 3.46Å; C808-H812 PolarHBondContact SG-NE2 3.49Å; Y810-H812 PolarHBondContact O-CE1 2.99Å; Y810-H812 PolarHBondContact O-ND1 3.3Å
813	V	87.9	Confident	88.3	Confident	18 Å²	18	57.8 Å²	57.8	11%	0.109	28%	0.277	C	S	.	.	S	Bend	trans	-109.6	122.9	175.2	172.6	0	0	0	0	109	R811 K1041	R811-V813 VanDerWaalsContact CD-O 3.27Å; R811-V813 WeakPolarHBondContact CD-O 3.49Å; R811-V813 WeakPolarHBondContact CG-O 3.05Å; R811-V813 PolarHBondContact NH1-O 2.83Å; V813-K1041 HydrophobicContact CG1-CB 4Å; V813-K1041 HydrophobicContact CG1-CD 3.89Å; V813-K1041 HydrophobicContact CG1-CG 3.71Å
814	M	88.6	Confident	88.2	Confident	1 Å²	1	60 Å²	60	1%	0.005	29%	0.287	C	S	.	.			trans	-74.7	143.2	176.8	-164.4	172.5	-157.1	0	0	111	E818 V819 I996 H997 M1036 V1037 S1040 K1041	M814-E818 HydrophobicContact CE-CB 3.93Å; M814-E818 VanDerWaalsContact CE-O 3.26Å; M814-E818 WeakPolarHBondContact CE-O 3.39Å; M814-E818 HydrophobicContact CG-CB 4.04Å; M814-V819 HydrophobicContact CG-CG2 4.29Å; M814-V819 HydrophobicContact SD-CG2 3.9Å; M814-I996 HydrophobicContact CE-CG2 3.62Å; M814-I996 HydrophobicContact SD-CG2 4.14Å; M814-H997 HydrophobicContact CE-CB 3.74Å; M814-M1036 HydrophobicContact CB-CG 4.23Å; M814-M1036 HydrophobicContact SD-CE 3.88Å; M814-V1037 HydrophobicContact SD-CG2 4.05Å; M814-S1040 VanDerWaalsContact O-CA 3.25Å; M814-S1040 WeakPolarHBondContact O-CA 3.05Å; M814-S1040 WeakPolarHBondContact O-CB 3.48Å; M814-K1041 PolarHBondContact O-N 2.94Å
815	W	88.8	Confident	88.2	Confident	34 Å²	34	60.1 Å²	60.1	13%	0.129	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-86.7	152.7	170.7	-61.4	-42	0	0	0	111.2	R791 R811 D817 E818 V819 K1041 C1043	R791-W815 HydrophobicContact CB-CH2 4.35Å; R791-W815 WeakPolarHBondContact O-CH2 3.48Å; R811-W815 VanDerWaalsContact NH2-CZ3 3.35Å; W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 WeakPolarHBondContact CB-OD1 3.44Å; W815-D817 PolarHBondContact O-N 3.05Å; W815-E818 HydrophobicContact CB-CG 4.1Å; W815-E818 HydrophobicContact CE3-CG 4.25Å; W815-E818 PolarHBondContact N-OE2 3.07Å; W815-E818 WeakPolarHBondContact O-CB 3.32Å; W815-E818 PolarHBondContact O-N 2.91Å; W815-V819 PolarHBondContact O-N 3.08Å; W815-K1041 CarbonylContact C-O 3.48Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.47Å; W815-C1043 HydrophobicContact CB-CB 4.48Å; W815-C1043 HydrophobicContact CD2-CB 4.03Å; W815-C1043 HydrophobicContact CE3-CB 4.47Å; W815-C1043 HydrophobicContact CG-CB 4.04Å
816	R	88.8	Confident	88.4	Confident	139 Å²	139	58.2 Å²	58.2	53%	0.525	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-33.8	-176.4	-69.5	-170.6	-172.6	141.9	3.9	114.1	E818 V819 K1041 D1042	R816-E818 VanDerWaalsContact C-N 3.29Å; R816-V819 PolarHBondContact O-N 3.44Å; R816-K1041 PolarHBondContact N-O 2.89Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.44Å; R816-D1042 IonicContact CZ-OD1 3.47Å; R816-D1042 IonicContact CZ-OD2 2.73Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.25Å; R816-D1042 IonicContact NE-OD1 2.67Å; R816-D1042 IonicContact NH1-OD1 3.73Å; R816-D1042 PolarHBondContact NH1-OD1 3.43Å; R816-D1042 IonicContact NH1-OD2 3.8Å; R816-D1042 PolarHBondContact NH1-OD2 3.11Å; R816-D1042 IonicContact NH2-OD2 3.41Å
817	D	84.1	Confident	88.6	Confident	90 Å²	90	60.4 Å²	60.4	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-28.3	173.4	64.5	-46	0	0	0	112.3	W815 M1046	W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 WeakPolarHBondContact CB-OD1 3.44Å; W815-D817 PolarHBondContact O-N 3.05Å; D817-M1046 HydrophobicContact CB-CE 4.31Å
818	E	86.1	Confident	88.9	Confident	21 Å²	21	58.7 Å²	58.7	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-75.4	-24.4	176	-64.1	178.2	137.8	0	0	113.5	R811 M814 W815 R816 L820 H997	R811-E818 IonicContact CZ-OE1 2.94Å; R811-E818 IonicContact CZ-OE2 2.62Å; R811-E818 IonicContact NH1-OE1 3.9Å; R811-E818 IonicContact NH1-OE2 2.73Å; R811-E818 PolarHBondContact NH1-OE2 2.72Å; R811-E818 IonicContact NH2-OE1 2.69Å; R811-E818 PolarHBondContact NH2-OE1 3.26Å; R811-E818 IonicContact NH2-OE2 3.16Å; R811-E818 PolarHBondContact NH2-OE2 3.06Å; M814-E818 HydrophobicContact CE-CB 3.93Å; M814-E818 VanDerWaalsContact CE-O 3.26Å; M814-E818 WeakPolarHBondContact CE-O 3.39Å; M814-E818 HydrophobicContact CG-CB 4.04Å; W815-E818 HydrophobicContact CB-CG 4.1Å; W815-E818 HydrophobicContact CE3-CG 4.25Å; W815-E818 PolarHBondContact N-OE2 3.07Å; W815-E818 WeakPolarHBondContact O-CB 3.32Å; W815-E818 PolarHBondContact O-N 2.91Å; R816-E818 VanDerWaalsContact C-N 3.29Å; E818-L820 PolarHBondContact O-N 3.42Å; E818-H997 WeakPolarHBondContact CA-ND1 3.44Å; E818-H997 WeakPolarHBondContact O-CA 3.42Å; E818-H997 WeakPolarHBondContact O-CB 3.3Å; E818-H997 PolarHBondContact O-ND1 3.34Å
819	V	88.2	Confident	89.3	Confident	26 Å²	26	58.9 Å²	58.9	16%	0.158	30%	0.296	C	S	.	.	H	α-helix	trans	-57.1	-49.9	-172.9	166.7	0	0	0	0	112	M814 W815 R816 H997 V1037	M814-V819 HydrophobicContact CG-CG2 4.29Å; M814-V819 HydrophobicContact SD-CG2 3.9Å; W815-V819 PolarHBondContact O-N 3.08Å; R816-V819 PolarHBondContact O-N 3.44Å; V819-H997 PolarHBondContact O-N 2.85Å; V819-V1037 HydrophobicContact CG1-CG1 3.66Å; V819-V1037 HydrophobicContact CG1-CG2 4.45Å; V819-V1037 HydrophobicContact CG2-CG1 4.37Å
820	L	88.4	Confident	89.9	Confident	132 Å²	132	57.7 Å²	57.7	69%	0.691	29%	0.292	S	S	*	.	S	Bend	trans	-77.1	132.9	-171.9	-65.4	177.2	0	0	0	111.2	E818	E818-L820 PolarHBondContact O-N 3.42Å
821	P	90.1	Very high	90.3	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.084	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-73.7	149.3	172.8	32.6	-36.5	0	0	0	111.1	K827 A995 H997	P821-K827 HydrophobicContact CG-CD 4.33Å; P821-K827 HydrophobicContact CG-CG 4.15Å; P821-A995 HydrophobicContact CB-CB 3.9Å; P821-A995 HydrophobicContact CG-CB 3.91Å; P821-A995 WeakPolarHBondContact CG-O 3.3Å; P821-H997 VanDerWaalsContact CA-O 3.26Å; P821-H997 WeakPolarHBondContact CA-O 3.11Å; P821-H997 WeakPolarHBondContact CB-O 3.29Å
822	P	89.9	Confident	90.6	Very high	38 Å²	38	59.3 Å²	59.3	25%	0.247	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-55.3	147	177.7	-23.4	32.8	0	0	0	112.4	H824 Y825 H997	P822-H824 PolarHBondContact O-N 3.35Å; P822-Y825 HydrophobicContact CB-CD2 3.86Å; P822-Y825 HydrophobicContact CB-CE2 4.21Å; P822-Y825 HydrophobicContact CG-CD2 3.95Å; P822-Y825 HydrophobicContact CG-CE2 3.95Å; P822-Y825 VanDerWaalsContact O-CB 3.27Å; P822-Y825 WeakPolarHBondContact O-CB 3.19Å; P822-Y825 PolarHBondContact O-N 2.9Å; P822-H997 WeakPolarHBondContact CD-O 3.29Å
823	D	89.6	Confident	90.8	Very high	141 Å²	141	58.9 Å²	58.9	75%	0.754	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.7	-166.6	-68.8	-53.4	0	0	0	116.7	Y825 K827	D823-Y825 VanDerWaalsContact C-N 3.32Å; D823-K827 IonicContact OD1-NZ 2.73Å; D823-K827 PolarHBondContact OD1-NZ 3.39Å; D823-K827 VanDerWaalsContact OD1-NZ 3.08Å
824	H	91.4	Very high	91.1	Very high	48 Å²	48	58.9 Å²	58.9	22%	0.222	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.1	172.2	55.4	-78.8	0	0	0	113.3	P822 Q851 R945	P822-H824 PolarHBondContact O-N 3.35Å; H824-Q851 PolarHBondContact O-NE2 2.74Å; H824-Q851 PolarHBondContact O-OE1 2.7Å; H824-R945 PolarHBondContact NE2-O 2.94Å
825	Y	93.9	Very high	91.2	Very high	5 Å²	5	60.1 Å²	60.1	2%	0.02	30%	0.303	C	S	.	.	S	Bend	trans	-74	133.3	177	-82.2	-131.6	0	0	0	110.6	P822 D823 K827 R945 M948 R998 I1000	P822-Y825 HydrophobicContact CB-CD2 3.86Å; P822-Y825 HydrophobicContact CB-CE2 4.21Å; P822-Y825 HydrophobicContact CG-CD2 3.95Å; P822-Y825 HydrophobicContact CG-CE2 3.95Å; P822-Y825 VanDerWaalsContact O-CB 3.27Å; P822-Y825 WeakPolarHBondContact O-CB 3.19Å; P822-Y825 PolarHBondContact O-N 2.9Å; D823-Y825 VanDerWaalsContact C-N 3.32Å; Y825-K827 PolarHBondContact O-N 3.07Å; Y825-R945 HydrophobicContact CE2-CG 4.38Å; Y825-M948 HydrophobicContact CD1-SD 4.37Å; Y825-M948 HydrophobicContact CD2-CE 3.78Å; Y825-M948 HydrophobicContact CD2-CG 4.48Å; Y825-M948 HydrophobicContact CD2-SD 4.17Å; Y825-M948 HydrophobicContact CE1-CB 4.04Å; Y825-M948 HydrophobicContact CE1-CG 4.05Å; Y825-M948 HydrophobicContact CE1-SD 4.35Å; Y825-M948 HydrophobicContact CE2-CE 3.87Å; Y825-M948 HydrophobicContact CE2-CG 3.85Å; Y825-M948 HydrophobicContact CE2-SD 4.14Å; Y825-M948 HydrophobicContact CG-CE 4.36Å; Y825-M948 HydrophobicContact CG-SD 4.28Å; Y825-R998 WeakPolarHBondContact CE1-O 3.29Å; Y825-R998 PolarHBondContact OH-O 2.7Å; Y825-I1000 HydrophobicContact CD1-CD1 3.96Å; Y825-I1000 HydrophobicContact CD1-CG1 3.7Å; Y825-I1000 HydrophobicContact CE1-CD1 4.33Å; Y825-I1000 HydrophobicContact CE1-CG1 4.1Å
826	P	93.7	Very high	91.3	Very high	21 Å²	21	59.6 Å²	59.6	14%	0.136	30%	0.303	C	S	.	.			trans	-68.5	119.4	176.1	27.3	-32.9	0	0	0	109.8	I831 L848 V992 I1000	P826-I831 HydrophobicContact CB-CG2 3.74Å; P826-I831 HydrophobicContact CG-CG2 3.66Å; P826-L848 HydrophobicContact CG-CD1 3.83Å; P826-V992 HydrophobicContact CB-CG2 4.35Å; P826-V992 HydrophobicContact CG-CG2 4.26Å; P826-I1000 HydrophobicContact CG-CD1 3.94Å
827	K	90.2	Very high	91.4	Very high	102 Å²	102	54.9 Å²	54.9	44%	0.443	29%	0.289	S	S	.	.			trans	-85.4	-18.6	-176.6	-56.1	-178.9	-172.9	178.4	0	112.4	P821 D823 Y825	P821-K827 HydrophobicContact CG-CD 4.33Å; P821-K827 HydrophobicContact CG-CG 4.15Å; D823-K827 IonicContact OD1-NZ 2.73Å; D823-K827 PolarHBondContact OD1-NZ 3.39Å; D823-K827 VanDerWaalsContact OD1-NZ 3.08Å; Y825-K827 PolarHBondContact O-N 3.07Å
828	N	91.2	Very high	91.8	Very high	127 Å²	127	51 Å²	51	68%	0.679	27%	0.269	S	S	*	.	S	Bend	trans	-161.3	178.1	171.2	58.6	62.7	0	0	0	110.3
829	G	94.3	Very high	92.1	Very high	31 Å²	31	52.2 Å²	52.2	32%	0.32	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	97.2	-177.2	170.6	0	0	0	0	0	115.5	V991 V992	G829-V991 CarbonylContact O-C 3.52Å; G829-V991 WeakPolarHBondContact O-CA 3.25Å; G829-V992 PolarHBondContact O-N 2.79Å
830	L	95.8	Very high	92.3	Very high	116 Å²	116	51.8 Å²	51.8	61%	0.607	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.4	174.6	-178.5	72.4	0	0	0	109.8	H989 V991	L830-H989 HydrophobicContact CD1-CB 4.33Å; L830-V991 HydrophobicContact CD1-CG2 4.01Å
831	I	96.4	Very high	92.6	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.2	176.3	55.9	164.9	0	0	0	110.8	P826 F833 L848 L950 H989 A990 V992 I1000	P826-I831 HydrophobicContact CB-CG2 3.74Å; P826-I831 HydrophobicContact CG-CG2 3.66Å; I831-F833 HydrophobicContact CD1-CD1 3.99Å; I831-F833 HydrophobicContact CD1-CE1 4.21Å; I831-F833 HydrophobicContact CG1-CD1 4.13Å; I831-F833 HydrophobicContact CG1-CE1 4.34Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.1Å; I831-L950 HydrophobicContact CD1-CD1 3.6Å; I831-H989 WeakPolarHBondContact O-CA 3.14Å; I831-H989 WeakPolarHBondContact O-CB 3.22Å; I831-A990 HydrophobicContact CG1-CB 4.35Å; I831-A990 VanDerWaalsContact CG1-O 3.31Å; I831-A990 WeakPolarHBondContact CG1-O 3.36Å; I831-A990 PolarHBondContact N-O 2.88Å; I831-A990 PolarHBondContact O-N 3.12Å; I831-A990 VanDerWaalsContact O-N 3.15Å; I831-V992 HydrophobicContact CD1-CG2 3.85Å; I831-V992 HydrophobicContact CG1-CG2 4Å; I831-V992 HydrophobicContact CG2-CG2 3.81Å; I831-I1000 HydrophobicContact CD1-CG2 4.41Å
832	R	95.6	Very high	92.8	Very high	122 Å²	122	45.4 Å²	45.4	46%	0.46	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.3	167.9	-61.7	177.6	-73.6	-136.6	5.5	110	S849 D850 F988 H989	R832-S849 PolarHBondContact O-N 3.45Å; R832-D850 WeakPolarHBondContact CB-OD2 3.4Å; R832-D850 IonicContact CZ-OD1 2.78Å; R832-D850 VanDerWaalsContact CZ-OD1 3.28Å; R832-D850 IonicContact CZ-OD2 3.54Å; R832-D850 IonicContact NE-OD1 3.66Å; R832-D850 PolarHBondContact NE-OD1 3.28Å; R832-D850 IonicContact NE-OD2 2.78Å; R832-D850 PolarHBondContact NE-OD2 2.78Å; R832-D850 IonicContact NH2-OD1 2.74Å; R832-D850 PolarHBondContact NH2-OD1 3.04Å; R832-D850 IonicContact NH2-OD2 2.73Å; R832-D850 PolarHBondContact NH2-OD2 2.75Å; R832-F988 WeakPolarHBondContact CA-O 3.46Å; R832-H989 HydrophobicContact CG-CB 4.37Å
833	F	94.8	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.7	-173.2	59.4	-91	0	0	0	113.5	I831 V835 V846 R847 L848 L950 F988 A990 I1005	I831-F833 HydrophobicContact CD1-CD1 3.99Å; I831-F833 HydrophobicContact CD1-CE1 4.21Å; I831-F833 HydrophobicContact CG1-CD1 4.13Å; I831-F833 HydrophobicContact CG1-CE1 4.34Å; F833-V835 HydrophobicContact CD2-CG2 4.21Å; F833-V835 HydrophobicContact CE2-CG2 3.95Å; F833-V846 HydrophobicContact CB-CB 4.19Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.48Å; F833-V846 VanDerWaalsContact CD2-CG1 3.48Å; F833-V846 HydrophobicContact CD2-CG2 4.41Å; F833-V846 HydrophobicContact CE2-CB 4.32Å; F833-V846 HydrophobicContact CE2-CG1 3.64Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.49Å; F833-R847 CarbonylContact C-O 3.36Å; F833-R847 WeakPolarHBondContact CA-O 3.45Å; F833-R847 VanDerWaalsContact CB-O 3.26Å; F833-R847 WeakPolarHBondContact CB-O 3.21Å; F833-L848 HydrophobicContact CB-CD2 4.21Å; F833-L950 HydrophobicContact CD1-CD1 4.43Å; F833-L950 HydrophobicContact CE1-CD1 4.05Å; F833-L950 HydrophobicContact CZ-CD1 4.18Å; F833-L950 HydrophobicContact CZ-CD2 4.23Å; F833-F988 WeakPolarHBondContact CD1-O 3.21Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.45Å; F833-F988 HydrophobicContact CE2-CB 3.65Å; F833-F988 HydrophobicContact CZ-CB 3.88Å; F833-F988 PolarHBondContact N-O 3.32Å; F833-F988 PolarHBondContact O-N 3.07Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.34Å; F833-I1005 HydrophobicContact CE2-CG2 4.3Å; F833-I1005 HydrophobicContact CZ-CD1 4.18Å; F833-I1005 HydrophobicContact CZ-CG1 4.19Å; F833-I1005 HydrophobicContact CZ-CG2 3.71Å
834	L	92.7	Very high	93.3	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.089	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.4	168.9	-176.7	59.6	0	0	0	108.6	L836 V846 R847 S849 P862 R986	L834-L836 PolarHBondContact O-N 3.23Å; L834-V846 WeakPolarHBondContact O-CA 3.41Å; L834-R847 PolarHBondContact N-O 3.13Å; L834-R847 PolarHBondContact O-N 3.08Å; L834-S849 PolarHBondContact N-OG 3.27Å; L834-P862 HydrophobicContact CD2-CB 3.62Å; L834-P862 HydrophobicContact CD2-CG 3.58Å; L834-R986 WeakPolarHBondContact CD1-O 3.47Å
835	V	92.2	Very high	93.5	Very high	27 Å²	27	35.1 Å²	35.1	16%	0.164	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.1	174.1	179	0	0	0	0	108.9	F833 L844 V846 F977 F988	F833-V835 HydrophobicContact CD2-CG2 4.21Å; F833-V835 HydrophobicContact CE2-CG2 3.95Å; V835-L844 HydrophobicContact CG1-CD1 4.47Å; V835-L844 HydrophobicContact CG1-CD2 4.48Å; V835-L844 HydrophobicContact CG2-CD1 4.07Å; V835-V846 HydrophobicContact CG2-CG1 4.43Å; V835-F977 HydrophobicContact CG1-CD2 4.49Å; V835-F977 HydrophobicContact CG1-CE2 4.46Å; V835-F977 HydrophobicContact CG2-CD1 4.02Å; V835-F977 HydrophobicContact CG2-CE1 3.78Å; V835-F977 HydrophobicContact CG2-CZ 4.26Å; V835-F988 HydrophobicContact CG2-CD2 3.8Å; V835-F988 HydrophobicContact CG2-CE2 4.18Å; V835-F988 HydrophobicContact CG2-CG 4.27Å
836	L	90.6	Very high	93.6	Very high	24 Å²	24	34.9 Å²	34.9	13%	0.126	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-52.6	176.3	-56.3	176.1	0	0	0	110.2	L834 A845 R847 F861 P862 D920 T921 A947	L834-L836 PolarHBondContact O-N 3.23Å; L836-A845 HydrophobicContact CB-CB 4.25Å; L836-A845 PolarHBondContact N-O 2.86Å; L836-R847 HydrophobicContact CD1-CB 4.04Å; L836-R847 HydrophobicContact CD2-CB 4.2Å; L836-R847 HydrophobicContact CG-CB 4.19Å; L836-F861 HydrophobicContact CD2-CZ 4.17Å; L836-P862 HydrophobicContact CD2-CG 4.39Å; L836-D920 WeakPolarHBondContact CD1-O 3.24Å; L836-T921 WeakPolarHBondContact CB-O 3.49Å; L836-A947 HydrophobicContact CD1-CB 3.91Å
837	V	90.9	Very high	93.6	Very high	39 Å²	39	34 Å²	34	24%	0.236	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.1	-178.3	-168.4	0	0	0	0	110.3	Y839 L844 A845	V837-Y839 HydrophobicContact CB-CD1 4.27Å; V837-Y839 HydrophobicContact CB-CE1 3.79Å; V837-Y839 HydrophobicContact CG1-CD1 3.67Å; V837-Y839 HydrophobicContact CG1-CE1 3.53Å; V837-L844 CarbonylContact O-C 3.59Å; V837-L844 WeakPolarHBondContact O-CA 3.27Å; V837-A845 HydrophobicContact CB-CB 3.96Å; V837-A845 HydrophobicContact CG2-CB 4.26Å; V837-A845 PolarHBondContact N-O 3.41Å; V837-A845 PolarHBondContact O-N 3.42Å
838	C	92.6	Very high	93.9	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	99	173.6	172.8	0	0	0	0	109.1	L844 R969 R973 F977	C838-L844 HydrophobicContact CB-CD2 3.89Å; C838-R969 WeakPolarHBondContact O-CG 3.2Å; C838-R973 HydrophobicContact CB-CB 4.45Å; C838-F977 HydrophobicContact CB-CD2 4.19Å; C838-F977 HydrophobicContact CB-CE2 4.07Å
839	Y	91.6	Very high	93.9	Very high	47 Å²	47	24.2 Å²	24.2	18%	0.184	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-36.3	179.5	-49.9	-47.1	0	0	0	112.1	V837 A843 A845 S922 T923 E924 R969	V837-Y839 HydrophobicContact CB-CD1 4.27Å; V837-Y839 HydrophobicContact CB-CE1 3.79Å; V837-Y839 HydrophobicContact CG1-CD1 3.67Å; V837-Y839 HydrophobicContact CG1-CE1 3.53Å; Y839-A843 WeakPolarHBondContact CB-O 3.26Å; Y839-A843 HydrophobicContact CD2-CB 4.5Å; Y839-A843 PolarHBondContact N-O 2.88Å; Y839-A843 VanDerWaalsContact N-O 3.08Å; Y839-A845 HydrophobicContact CE1-CB 4.49Å; Y839-A845 HydrophobicContact CE2-CB 4.19Å; Y839-A845 WeakPolarHBondContact OH-CB 3.46Å; Y839-S922 PolarHBondContact OH-OG 3.04Å; Y839-T923 WeakPolarHBondContact OH-CA 3.47Å; Y839-T923 PolarHBondContact OH-N 3.37Å; Y839-T923 PolarHBondContact OH-OG1 2.74Å; Y839-E924 HydrophobicContact CD1-CG 4.18Å; Y839-E924 HydrophobicContact CE1-CG 3.49Å; Y839-E924 VanDerWaalsContact CE1-CG 3.49Å; Y839-E924 PolarHBondContact OH-N 2.89Å; Y839-R969 WeakPolarHBondContact O-CD 3.43Å
840	S	92.9	Very high	93.7	Very high	16 Å²	16	27.3 Å²	27.3	11%	0.112	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	170	177.1	73.7	0	0	0	0	110.3	A842 A843	S840-A842 PolarHBondContact O-N 3.24Å; S840-A842 PolarHBondContact OG-N 2.88Å; S840-A843 PolarHBondContact N-O 2.93Å; S840-A843 PolarHBondContact O-N 3.14Å; S840-A843 PolarHBondContact OG-N 2.89Å; S840-A843 VanDerWaalsContact OG-N 3.11Å
841	P	93.6	Very high	93.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.013	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-16.3	169	-30.3	38.8	0	0	0	116	W964 A968 V972 V1017	P841-W964 HydrophobicContact CB-CD2 4.16Å; P841-W964 HydrophobicContact CB-CE3 3.99Å; P841-W964 HydrophobicContact CB-CH2 4.01Å; P841-W964 HydrophobicContact CB-CZ2 4.21Å; P841-W964 HydrophobicContact CB-CZ3 3.91Å; P841-W964 HydrophobicContact CG-CD2 3.9Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.41Å; P841-W964 HydrophobicContact CG-CZ3 3.93Å; P841-A968 HydrophobicContact CG-CB 3.89Å; P841-V972 HydrophobicContact CB-CG2 4.04Å; P841-V972 HydrophobicContact CG-CG2 4Å; P841-V1017 HydrophobicContact CB-CG1 3.95Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å
842	A	94.6	Very high	93.3	Very high	9 Å²	9	26.5 Å²	26.5	7%	0.074	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	0.7	-177.4	0	0	0	0	0	115	S840 R951 I952 L955 W964	S840-A842 PolarHBondContact O-N 3.24Å; S840-A842 PolarHBondContact OG-N 2.88Å; A842-R951 VanDerWaalsContact O-CA 3.26Å; A842-R951 WeakPolarHBondContact O-CA 3.34Å; A842-I952 PolarHBondContact O-N 3.02Å; A842-L955 HydrophobicContact CB-CB 4.09Å; A842-L955 HydrophobicContact CB-CD2 3.92Å; A842-L955 HydrophobicContact CB-CG 3.97Å; A842-L955 VanDerWaalsContact CB-O 3.31Å; A842-L955 WeakPolarHBondContact CB-O 3.36Å; A842-W964 HydrophobicContact CB-CZ2 4.08Å
843	A	95.1	Very high	93.1	Very high	8 Å²	8	23.9 Å²	23.9	7%	0.066	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	131.7	-176.3	0	0	0	0	0	112.4	Y839 S840 R951	Y839-A843 WeakPolarHBondContact CB-O 3.26Å; Y839-A843 HydrophobicContact CD2-CB 4.5Å; Y839-A843 PolarHBondContact N-O 2.88Å; Y839-A843 VanDerWaalsContact N-O 3.08Å; S840-A843 PolarHBondContact N-O 2.93Å; S840-A843 PolarHBondContact O-N 3.14Å; S840-A843 PolarHBondContact OG-N 2.89Å; S840-A843 VanDerWaalsContact OG-N 3.11Å; A843-R951 HydrophobicContact CB-CG 3.99Å
844	L	95.7	Very high	92.8	Very high	3 Å²	3	26 Å²	26	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.9	-170.6	-50	175.8	0	0	0	111.2	V835 V837 C838 V846 L950 F977 I1005	V835-L844 HydrophobicContact CG1-CD1 4.47Å; V835-L844 HydrophobicContact CG1-CD2 4.48Å; V835-L844 HydrophobicContact CG2-CD1 4.07Å; V837-L844 CarbonylContact O-C 3.59Å; V837-L844 WeakPolarHBondContact O-CA 3.27Å; C838-L844 HydrophobicContact CB-CD2 3.89Å; L844-V846 HydrophobicContact CB-CG1 3.89Å; L844-V846 HydrophobicContact CD1-CG1 4.28Å; L844-L950 HydrophobicContact CD1-CD2 4.4Å; L844-L950 PolarHBondContact N-O 3.2Å; L844-L950 PolarHBondContact O-N 2.75Å; L844-F977 HydrophobicContact CD1-CE1 4.35Å; L844-F977 HydrophobicContact CD1-CE2 4.38Å; L844-F977 HydrophobicContact CD1-CZ 3.66Å; L844-F977 HydrophobicContact CD2-CE2 3.65Å; L844-F977 HydrophobicContact CD2-CZ 3.76Å; L844-F977 HydrophobicContact CG-CZ 4.4Å; L844-I1005 HydrophobicContact CD1-CD1 3.45Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.45Å; L844-I1005 HydrophobicContact CG-CD1 4.5Å
845	A	95.4	Very high	92.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.5	153.8	0	0	0	0	0	109.3	L836 V837 Y839 M948	L836-A845 HydrophobicContact CB-CB 4.25Å; L836-A845 PolarHBondContact N-O 2.86Å; V837-A845 HydrophobicContact CB-CB 3.96Å; V837-A845 HydrophobicContact CG2-CB 4.26Å; V837-A845 PolarHBondContact N-O 3.41Å; V837-A845 PolarHBondContact O-N 3.42Å; Y839-A845 HydrophobicContact CE1-CB 4.49Å; Y839-A845 HydrophobicContact CE2-CB 4.19Å; Y839-A845 WeakPolarHBondContact OH-CB 3.46Å; A845-M948 WeakPolarHBondContact CA-O 3.42Å
846	V	95.4	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.5	179.8	-56	0	0	0	0	111	F833 L834 V835 L844 M948 L950	F833-V846 HydrophobicContact CB-CB 4.19Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.48Å; F833-V846 VanDerWaalsContact CD2-CG1 3.48Å; F833-V846 HydrophobicContact CD2-CG2 4.41Å; F833-V846 HydrophobicContact CE2-CB 4.32Å; F833-V846 HydrophobicContact CE2-CG1 3.64Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.49Å; L834-V846 WeakPolarHBondContact O-CA 3.41Å; V835-V846 HydrophobicContact CG2-CG1 4.43Å; L844-V846 HydrophobicContact CB-CG1 3.89Å; L844-V846 HydrophobicContact CD1-CG1 4.28Å; V846-M948 HydrophobicContact CG2-CB 4.22Å; V846-M948 PolarHBondContact N-O 2.91Å; V846-M948 PolarHBondContact O-N 2.91Å; V846-L950 HydrophobicContact CB-CB 4.48Å; V846-L950 HydrophobicContact CG1-CB 3.98Å; V846-L950 HydrophobicContact CG1-CD2 4.49Å; V846-L950 HydrophobicContact CG2-CB 3.62Å; V846-L950 HydrophobicContact CG2-CD1 3.99Å; V846-L950 HydrophobicContact CG2-CG 4.4Å
847	R	94.8	Very high	92.2	Very high	4 Å²	4	32 Å²	32	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.1	169.2	179.8	170.7	75.3	172.8	4.6	110.2	F833 L834 L836 S849 F852 T854 M863 S864 E946	F833-R847 CarbonylContact C-O 3.36Å; F833-R847 WeakPolarHBondContact CA-O 3.45Å; F833-R847 VanDerWaalsContact CB-O 3.26Å; F833-R847 WeakPolarHBondContact CB-O 3.21Å; L834-R847 PolarHBondContact N-O 3.13Å; L834-R847 PolarHBondContact O-N 3.08Å; L836-R847 HydrophobicContact CD1-CB 4.04Å; L836-R847 HydrophobicContact CD2-CB 4.2Å; L836-R847 HydrophobicContact CG-CB 4.19Å; R847-S849 PolarHBondContact O-N 2.98Å; R847-F852 HydrophobicContact CG-CB 3.64Å; R847-F852 HydrophobicContact CG-CD2 4.32Å; R847-F852 HydrophobicContact CG-CG 4.4Å; R847-F852 PolarHBondContact NE-O 2.94Å; R847-T854 PolarHBondContact NH2-OG1 2.71Å; R847-M863 PolarHBondContact NH2-O 3.19Å; R847-S864 VanDerWaalsContact NH1-CB 3.3Å; R847-E946 WeakPolarHBondContact CD-OE2 3.21Å; R847-E946 HydrophobicContact CG-CB 4.19Å; R847-E946 IonicContact CZ-OE2 3.1Å; R847-E946 IonicContact NE-OE2 2.62Å; R847-E946 IonicContact NH1-OE2 3.4Å; R847-E946 PolarHBondContact NH1-OE2 3Å
848	L	94.9	Very high	91.8	Very high	6 Å²	6	33 Å²	33	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	114.7	-179	-57.4	-177.5	0	0	0	110.5	P826 I831 F833 D850 Q851 F852 M948	P826-L848 HydrophobicContact CG-CD1 3.83Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.1Å; F833-L848 HydrophobicContact CB-CD2 4.21Å; L848-D850 VanDerWaalsContact C-N 3.25Å; L848-D850 PolarHBondContact O-N 2.89Å; L848-Q851 HydrophobicContact CB-CB 4.29Å; L848-Q851 HydrophobicContact CB-CG 4.41Å; L848-Q851 HydrophobicContact CD1-CG 4.48Å; L848-Q851 PolarHBondContact O-N 3.3Å; L848-F852 PolarHBondContact O-N 2.81Å; L848-M948 HydrophobicContact CD1-CE 3.75Å; L848-M948 HydrophobicContact CD1-SD 3.61Å; L848-M948 HydrophobicContact CD2-SD 4.35Å; L848-M948 HydrophobicContact CG-CE 4.16Å; L848-M948 HydrophobicContact CG-SD 3.73Å
849	S	91.5	Very high	91.3	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.119	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.7	-173.1	-60.2	0	0	0	0	113.1	R832 L834 R847	R832-S849 PolarHBondContact O-N 3.45Å; L834-S849 PolarHBondContact N-OG 3.27Å; R847-S849 PolarHBondContact O-N 2.98Å
850	D	90.3	Very high	90.7	Very high	95 Å²	95	41.3 Å²	41.3	51%	0.508	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-19.4	179.1	-62.9	-52.2	0	0	0	113.4	R832 L848	R832-D850 WeakPolarHBondContact CB-OD2 3.4Å; R832-D850 IonicContact CZ-OD1 2.78Å; R832-D850 VanDerWaalsContact CZ-OD1 3.28Å; R832-D850 IonicContact CZ-OD2 3.54Å; R832-D850 IonicContact NE-OD1 3.66Å; R832-D850 PolarHBondContact NE-OD1 3.28Å; R832-D850 IonicContact NE-OD2 2.78Å; R832-D850 PolarHBondContact NE-OD2 2.78Å; R832-D850 IonicContact NH2-OD1 2.74Å; R832-D850 PolarHBondContact NH2-OD1 3.04Å; R832-D850 IonicContact NH2-OD2 2.73Å; R832-D850 PolarHBondContact NH2-OD2 2.75Å; L848-D850 VanDerWaalsContact C-N 3.25Å; L848-D850 PolarHBondContact O-N 2.89Å
851	Q	91	Very high	90.2	Very high	85 Å²	85	42.2 Å²	42.2	40%	0.397	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-40.8	176.7	-65.9	-177	-0.9	0	0	112.1	H824 L848 P853	H824-Q851 PolarHBondContact O-NE2 2.74Å; H824-Q851 PolarHBondContact O-OE1 2.7Å; L848-Q851 HydrophobicContact CB-CB 4.29Å; L848-Q851 HydrophobicContact CB-CG 4.41Å; L848-Q851 HydrophobicContact CD1-CG 4.48Å; L848-Q851 PolarHBondContact O-N 3.3Å; Q851-P853 WeakPolarHBondContact O-CD 3.11Å
852	F	92.6	Very high	89.8	Confident	26 Å²	26	42.8 Å²	42.8	11%	0.114	23%	0.23	C	C	.	.	S	Bend	trans	-127.4	75.9	-172.4	-50.8	-66.8	0	0	0	109.5	R847 L848 P944 E946 M948	R847-F852 HydrophobicContact CG-CB 3.64Å; R847-F852 HydrophobicContact CG-CD2 4.32Å; R847-F852 HydrophobicContact CG-CG 4.4Å; R847-F852 PolarHBondContact NE-O 2.94Å; L848-F852 PolarHBondContact O-N 2.81Å; F852-P944 HydrophobicContact CE1-CG 3.93Å; F852-P944 HydrophobicContact CZ-CB 4.5Å; F852-P944 HydrophobicContact CZ-CG 4Å; F852-E946 HydrophobicContact CB-CB 4.49Å; F852-E946 HydrophobicContact CB-CG 4.19Å; F852-E946 HydrophobicContact CD1-CG 3.79Å; F852-E946 HydrophobicContact CD2-CB 4.4Å; F852-E946 HydrophobicContact CD2-CG 4.38Å; F852-E946 HydrophobicContact CE1-CG 4.28Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.85Å; F852-M948 HydrophobicContact CE2-CE 4.05Å
853	P	91.3	Very high	89.6	Confident	67 Å²	67	43 Å²	43	44%	0.435	23%	0.229	S	C	.	.			trans	-63.1	163	-177.9	26.9	-35.2	0	0	0	112.2	Q851 A855 S864	Q851-P853 WeakPolarHBondContact O-CD 3.11Å; P853-A855 PolarHBondContact O-N 3.4Å; P853-S864 WeakPolarHBondContact O-CA 3.43Å
854	T	89.9	Confident	89.4	Confident	46 Å²	46	42.7 Å²	42.7	28%	0.282	23%	0.227	S	C	.	.			trans	-89.9	104.5	176.3	-55.9	0	0	0	0	109.9	R847 P862 M863	R847-T854 PolarHBondContact NH2-OG1 2.71Å; T854-P862 HydrophobicContact CG2-CB 3.62Å; T854-M863 CarbonylContact C-O 3.53Å; T854-M863 VanDerWaalsContact CA-O 3.31Å; T854-M863 WeakPolarHBondContact CA-O 3.45Å
855	A	89.1	Confident	89.3	Confident	49 Å²	49	46.8 Å²	46.8	41%	0.405	25%	0.249	S	C	.	.			trans	-76	-48	179	0	0	0	0	0	112	P853 M863 D865	P853-A855 PolarHBondContact O-N 3.4Å; A855-M863 PolarHBondContact N-O 3.36Å; A855-D865 WeakPolarHBondContact CB-OD1 3.26Å
856	I	88.3	Confident	89.2	Confident	66 Å²	66	47.2 Å²	47.2	34%	0.338	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.6	-175.1	-165.2	164.5	0	0	0	111.6	M863 E868	I856-M863 HydrophobicContact CG2-CB 4.04Å; I856-M863 HydrophobicContact CG2-CE 3.7Å; I856-M863 PolarHBondContact O-N 3.01Å; I856-E868 VanDerWaalsContact CD1-OE1 3.25Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.39Å; I856-E868 HydrophobicContact CG2-CB 3.97Å; I856-E868 HydrophobicContact CG2-CG 4.22Å
857	R	84.4	Confident	89.1	Confident	77 Å²	77	47.9 Å²	47.9	29%	0.291	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117	167.2	-73.8	-176.5	171.9	-80.4	-10.6	110.9	N860 F861 R984 N985	R857-N860 PolarHBondContact NH1-O 2.75Å; R857-F861 CarbonylContact C-O 3.56Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.48Å; R857-R984 PolarHBondContact NH2-O 3.49Å; R857-N985 PolarHBondContact NE-OD1 3.13Å; R857-N985 PolarHBondContact NH2-OD1 3.27Å
858	F	83.3	Confident	89.1	Confident	62 Å²	62	49.2 Å²	49.2	27%	0.272	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.2	178.8	178.8	-97.9	0	0	0	109.2	N860 F861 M863 Q871 R899	F858-N860 PolarHBondContact O-N 2.9Å; F858-F861 PolarHBondContact N-O 2.72Å; F858-F861 WeakPolarHBondContact O-CA 3.12Å; F858-F861 WeakPolarHBondContact O-CB 3.27Å; F858-F861 PolarHBondContact O-N 3.29Å; F858-M863 HydrophobicContact CB-CE 3.57Å; F858-M863 HydrophobicContact CB-CG 4.45Å; F858-M863 HydrophobicContact CB-SD 3.88Å; F858-M863 HydrophobicContact CD1-SD 4.46Å; F858-M863 HydrophobicContact CG-CE 4.19Å; F858-M863 HydrophobicContact CG-SD 4.46Å; F858-Q871 HydrophobicContact CE1-CG 4.43Å; F858-Q871 HydrophobicContact CZ-CG 4.33Å; F858-R899 HydrophobicContact CD1-CG 3.96Å; F858-R899 HydrophobicContact CE1-CG 4.06Å
859	L	81.7	Confident	89	Confident	107 Å²	107	54.8 Å²	54.8	56%	0.56	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	42.6	-170.9	-55.3	177.8	0	0	0	112.4	F861 N898	L859-F861 PolarHBondContact O-N 2.95Å; L859-N898 HydrophobicContact CD1-CB 3.87Å
860	N	79.2	Confident	89.2	Confident	123 Å²	123	54 Å²	54	66%	0.658	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-10.9	-170	-64	-69.8	0	0	0	116.9	R857 F858	R857-N860 PolarHBondContact NH1-O 2.75Å; F858-N860 PolarHBondContact O-N 2.9Å
861	F	82	Confident	89.4	Confident	35 Å²	35	49.9 Å²	49.9	15%	0.154	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.8	178.5	-165.6	-86.3	0	0	0	111.8	L836 R857 F858 L859 M863 T921	L836-F861 HydrophobicContact CD2-CZ 4.17Å; R857-F861 CarbonylContact C-O 3.56Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.48Å; F858-F861 PolarHBondContact N-O 2.72Å; F858-F861 WeakPolarHBondContact O-CA 3.12Å; F858-F861 WeakPolarHBondContact O-CB 3.27Å; F858-F861 PolarHBondContact O-N 3.29Å; L859-F861 PolarHBondContact O-N 2.95Å; F861-M863 HydrophobicContact CD1-CG 4.3Å; F861-T921 HydrophobicContact CD1-CG2 4.39Å; F861-T921 HydrophobicContact CE1-CG2 3.54Å; F861-T921 HydrophobicContact CZ-CG2 3.85Å
862	P	86	Confident	89.6	Confident	13 Å²	13	53.8 Å²	53.8	8%	0.084	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120	178.3	30.7	-32	0	0	0	112	L834 L836 T854	L834-P862 HydrophobicContact CD2-CB 3.62Å; L834-P862 HydrophobicContact CD2-CG 3.58Å; L836-P862 HydrophobicContact CD2-CG 4.39Å; T854-P862 HydrophobicContact CG2-CB 3.62Å
863	M	88.8	Confident	89.7	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.064	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	163	175.5	-54.6	-163.1	-48.7	0	0	111.1	R847 T854 A855 I856 F858 F861 E868 Q871	R847-M863 PolarHBondContact NH2-O 3.19Å; T854-M863 CarbonylContact C-O 3.53Å; T854-M863 VanDerWaalsContact CA-O 3.31Å; T854-M863 WeakPolarHBondContact CA-O 3.45Å; A855-M863 PolarHBondContact N-O 3.36Å; I856-M863 HydrophobicContact CG2-CB 4.04Å; I856-M863 HydrophobicContact CG2-CE 3.7Å; I856-M863 PolarHBondContact O-N 3.01Å; F858-M863 HydrophobicContact CB-CE 3.57Å; F858-M863 HydrophobicContact CB-CG 4.45Å; F858-M863 HydrophobicContact CB-SD 3.88Å; F858-M863 HydrophobicContact CD1-SD 4.46Å; F858-M863 HydrophobicContact CG-CE 4.19Å; F858-M863 HydrophobicContact CG-SD 4.46Å; F861-M863 HydrophobicContact CD1-CG 4.3Å; M863-E868 HydrophobicContact CE-CB 4.24Å; M863-Q871 HydrophobicContact CE-CB 4.2Å
864	S	92.8	Very high	89.9	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.014	25%	0.252	C	S	.	.			trans	-99.3	-179.2	170.4	55.5	0	0	0	0	110.3	R847 P853 L866 G867 E868 E946	R847-S864 VanDerWaalsContact NH1-CB 3.3Å; P853-S864 WeakPolarHBondContact O-CA 3.43Å; S864-L866 PolarHBondContact O-N 2.55Å; S864-L866 PolarHBondContact OG-N 3.29Å; S864-G867 PolarHBondContact O-N 3.35Å; S864-G867 PolarHBondContact OG-N 3.04Å; S864-E868 VanDerWaalsContact O-CB 3.3Å; S864-E868 WeakPolarHBondContact O-CB 3.32Å; S864-E868 PolarHBondContact O-N 3.17Å; S864-E946 WeakPolarHBondContact CB-OE1 3.25Å; S864-E946 VanDerWaalsContact CB-OE2 3.27Å; S864-E946 WeakPolarHBondContact CB-OE2 3.5Å; S864-E946 PolarHBondContact OG-OE1 2.9Å; S864-E946 PolarHBondContact OG-OE2 3.17Å
865	D	93.1	Very high	90.1	Very high	90 Å²	90	53 Å²	53	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-25	166.8	-48.2	-77.8	0	0	0	112.7	A855 R869	A855-D865 WeakPolarHBondContact CB-OD1 3.26Å; D865-R869 WeakPolarHBondContact O-CB 3.32Å; D865-R869 WeakPolarHBondContact O-CG 3.41Å; D865-R869 PolarHBondContact O-N 2.91Å; D865-R869 PolarHBondContact O-NE 3.23Å
866	L	93.6	Very high	90.4	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-77.9	-52.1	173.1	179	61.3	0	0	0	111.1	S864 E868 R869 V870 F940 E946	S864-L866 PolarHBondContact O-N 2.55Å; S864-L866 PolarHBondContact OG-N 3.29Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 3.26Å; L866-R869 PolarHBondContact O-N 2.98Å; L866-R869 VanDerWaalsContact O-N 3.1Å; L866-V870 HydrophobicContact CD1-CG2 4.23Å; L866-V870 WeakPolarHBondContact O-CG2 3.25Å; L866-V870 PolarHBondContact O-N 3.15Å; L866-F940 HydrophobicContact CD1-CD1 3.94Å; L866-E946 WeakPolarHBondContact CB-OE1 3.15Å
867	G	92.6	Very high	90.6	Very high	13 Å²	13	59.8 Å²	59.8	13%	0.134	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-37.1	177.3	0	0	0	0	0	112.6	S864 Q871	S864-G867 PolarHBondContact O-N 3.35Å; S864-G867 PolarHBondContact OG-N 3.04Å; G867-Q871 WeakPolarHBondContact O-CB 3.46Å; G867-Q871 PolarHBondContact O-N 3.49Å
868	E	93.7	Very high	91.1	Very high	32 Å²	32	60.1 Å²	60.1	15%	0.15	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-44.5	172.6	178.7	163	-134.3	0	0	112.9	I856 M863 S864 L866 V870 Q871 R872	I856-E868 VanDerWaalsContact CD1-OE1 3.25Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.39Å; I856-E868 HydrophobicContact CG2-CB 3.97Å; I856-E868 HydrophobicContact CG2-CG 4.22Å; M863-E868 HydrophobicContact CE-CB 4.24Å; S864-E868 VanDerWaalsContact O-CB 3.3Å; S864-E868 WeakPolarHBondContact O-CB 3.32Å; S864-E868 PolarHBondContact O-N 3.17Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 3.26Å; E868-V870 VanDerWaalsContact C-N 3.34Å; E868-V870 PolarHBondContact O-N 3.32Å; E868-Q871 PolarHBondContact O-N 2.9Å; E868-R872 VanDerWaalsContact CD-NE 3.35Å; E868-R872 HydrophobicContact CG-CG 4.17Å; E868-R872 VanDerWaalsContact CG-NE 3.31Å; E868-R872 WeakPolarHBondContact O-CB 3.32Å; E868-R872 VanDerWaalsContact O-CG 3.27Å; E868-R872 WeakPolarHBondContact O-CG 3.17Å; E868-R872 PolarHBondContact O-N 2.79Å; E868-R872 IonicContact OE1-CZ 3.26Å; E868-R872 VanDerWaalsContact OE1-CZ 3.23Å; E868-R872 IonicContact OE1-NE 2.98Å; E868-R872 PolarHBondContact OE1-NE 2.95Å; E868-R872 VanDerWaalsContact OE1-NE 3.07Å; E868-R872 IonicContact OE1-NH2 3.02Å; E868-R872 PolarHBondContact OE1-NH2 3.5Å; E868-R872 IonicContact OE2-CZ 3.87Å; E868-R872 IonicContact OE2-NH2 3.97Å; E868-R872 PolarHBondContact OE2-NH2 3.03Å
869	R	94.8	Very high	91.6	Very high	123 Å²	123	59 Å²	59	46%	0.464	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-39.6	176.2	-76	179.5	-59.1	146.4	5.1	112	D865 L866 H873 F940	D865-R869 WeakPolarHBondContact O-CB 3.32Å; D865-R869 WeakPolarHBondContact O-CG 3.41Å; D865-R869 PolarHBondContact O-N 2.91Å; D865-R869 PolarHBondContact O-NE 3.23Å; L866-R869 PolarHBondContact O-N 2.98Å; L866-R869 VanDerWaalsContact O-N 3.1Å; R869-H873 WeakPolarHBondContact O-CB 3.43Å; R869-H873 PolarHBondContact O-N 3.14Å; R869-F940 HydrophobicContact CB-CE1 3.87Å; R869-F940 HydrophobicContact CB-CZ 4.26Å
870	V	94.9	Very high	92.1	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-50.7	175	173.5	0	0	0	0	110.4	L866 E868 R872 H873 Y874 R902 F940	L866-V870 HydrophobicContact CD1-CG2 4.23Å; L866-V870 WeakPolarHBondContact O-CG2 3.25Å; L866-V870 PolarHBondContact O-N 3.15Å; E868-V870 VanDerWaalsContact C-N 3.34Å; E868-V870 PolarHBondContact O-N 3.32Å; V870-R872 PolarHBondContact O-N 3.28Å; V870-H873 PolarHBondContact O-N 3.42Å; V870-Y874 HydrophobicContact CG1-CD2 4.02Å; V870-Y874 HydrophobicContact CG1-CE2 4.35Å; V870-Y874 WeakPolarHBondContact O-CD2 3.31Å; V870-Y874 PolarHBondContact O-N 3.04Å; V870-R902 HydrophobicContact CG1-CG 4.39Å; V870-R902 HydrophobicContact CG2-CG 4.08Å; V870-F940 HydrophobicContact CG2-CB 4.4Å; V870-F940 HydrophobicContact CG2-CD1 3.87Å; V870-F940 HydrophobicContact CG2-CD2 3.92Å; V870-F940 HydrophobicContact CG2-CE1 4.07Å; V870-F940 HydrophobicContact CG2-CE2 4.12Å; V870-F940 HydrophobicContact CG2-CG 3.81Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å
871	Q	94.9	Very high	92.8	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-56	-54.4	176.3	-172.9	74.8	31.9	0	0	111.3	F858 M863 G867 E868 H873 Y874 E875 N898	F858-Q871 HydrophobicContact CE1-CG 4.43Å; F858-Q871 HydrophobicContact CZ-CG 4.33Å; M863-Q871 HydrophobicContact CE-CB 4.2Å; G867-Q871 WeakPolarHBondContact O-CB 3.46Å; G867-Q871 PolarHBondContact O-N 3.49Å; E868-Q871 PolarHBondContact O-N 2.9Å; Q871-H873 PolarHBondContact O-N 3.01Å; Q871-Y874 PolarHBondContact O-N 3.18Å; Q871-E875 PolarHBondContact NE2-OE2 2.72Å; Q871-E875 WeakPolarHBondContact O-CB 3.18Å; Q871-E875 PolarHBondContact O-N 3.49Å; Q871-N898 PolarHBondContact NE2-O 3.29Å
872	R	94	Very high	93.3	Very high	166 Å²	166	60.3 Å²	60.3	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-32.4	-178.4	-70.9	177.3	-177.7	-164.5	7.6	112.7	E868 V870	E868-R872 VanDerWaalsContact CD-NE 3.35Å; E868-R872 HydrophobicContact CG-CG 4.17Å; E868-R872 VanDerWaalsContact CG-NE 3.31Å; E868-R872 WeakPolarHBondContact O-CB 3.32Å; E868-R872 VanDerWaalsContact O-CG 3.27Å; E868-R872 WeakPolarHBondContact O-CG 3.17Å; E868-R872 PolarHBondContact O-N 2.79Å; E868-R872 IonicContact OE1-CZ 3.26Å; E868-R872 VanDerWaalsContact OE1-CZ 3.23Å; E868-R872 IonicContact OE1-NE 2.98Å; E868-R872 PolarHBondContact OE1-NE 2.95Å; E868-R872 VanDerWaalsContact OE1-NE 3.07Å; E868-R872 IonicContact OE1-NH2 3.02Å; E868-R872 PolarHBondContact OE1-NH2 3.5Å; E868-R872 IonicContact OE2-CZ 3.87Å; E868-R872 IonicContact OE2-NH2 3.97Å; E868-R872 PolarHBondContact OE2-NH2 3.03Å; V870-R872 PolarHBondContact O-N 3.28Å
873	H	95.6	Very high	93.5	Very high	47 Å²	47	60 Å²	60	22%	0.218	29%	0.292	C	S	.	.	H	α-helix	trans	-73.6	-51.8	178.6	-175.6	88	0	0	0	112	R869 V870 Q871 L876 N879 F940	R869-H873 WeakPolarHBondContact O-CB 3.43Å; R869-H873 PolarHBondContact O-N 3.14Å; V870-H873 PolarHBondContact O-N 3.42Å; Q871-H873 PolarHBondContact O-N 3.01Å; H873-L876 PolarHBondContact O-N 3.41Å; H873-N879 WeakPolarHBondContact O-CB 3.23Å; H873-N879 PolarHBondContact O-ND2 3.24Å; H873-F940 HydrophobicContact CB-CE2 3.77Å; H873-F940 HydrophobicContact CB-CZ 3.8Å; H873-F940 AromaticContact CD2-CE2 3.85Å; H873-F940 AromaticContact CG-CE2 3.76Å
874	Y	95.7	Very high	93.3	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-82.9	-10	-175.6	-70.6	-82.9	0	0	0	114.3	V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940	V870-Y874 HydrophobicContact CG1-CD2 4.02Å; V870-Y874 HydrophobicContact CG1-CE2 4.35Å; V870-Y874 WeakPolarHBondContact O-CD2 3.31Å; V870-Y874 PolarHBondContact O-N 3.04Å; Q871-Y874 PolarHBondContact O-N 3.18Å; Y874-L876 PolarHBondContact O-N 3.47Å; Y874-R880 WeakPolarHBondContact O-CG 3.31Å; Y874-R880 PolarHBondContact O-NE 3.03Å; Y874-V893 HydrophobicContact CD1-CG1 4.45Å; Y874-V893 HydrophobicContact CD2-CG1 4Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.45Å; Y874-V893 HydrophobicContact CE2-CB 4.26Å; Y874-V893 HydrophobicContact CE2-CG1 4.13Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.17Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 VanDerWaalsContact CB-CG 3.45Å; Y874-Y900 HydrophobicContact CG-CD1 4.32Å; Y874-Y900 HydrophobicContact CG-CG 4.48Å; Y874-S935 PolarHBondContact OH-O 2.94Å; Y874-C936 WeakPolarHBondContact OH-CA 3.41Å; Y874-V937 PolarHBondContact OH-N 2.87Å; Y874-V937 VanDerWaalsContact OH-N 3.14Å; Y874-F940 HydrophobicContact CD2-CE2 4.44Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.85Å; Y874-F940 HydrophobicContact CE2-CE2 3.85Å
875	E	94.4	Very high	93.1	Very high	77 Å²	77	70.2 Å²	70.2	36%	0.36	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.3	166.5	-151.9	68.7	-106	0	0	111.7	Q871 E877 R880 K895	Q871-E875 PolarHBondContact NE2-OE2 2.72Å; Q871-E875 WeakPolarHBondContact O-CB 3.18Å; Q871-E875 PolarHBondContact O-N 3.49Å; E875-E877 PolarHBondContact O-N 3.18Å; E875-R880 PolarHBondContact O-NH2 2.69Å; E875-R880 IonicContact OE1-NH2 2.75Å; E875-K895 IonicContact OE1-NZ 2.69Å; E875-K895 PolarHBondContact OE1-NZ 3.12Å
876	L	95.3	Very high	92.9	Very high	108 Å²	108	66.5 Å²	66.5	57%	0.565	33%	0.334	S	S	*	.	S	Bend	trans	-76.6	119.9	172.2	-60.6	175.2	0	0	0	110.5	H873 Y874 A878 N879	H873-L876 PolarHBondContact O-N 3.41Å; Y874-L876 PolarHBondContact O-N 3.47Å; L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 3.12Å; L876-N879 PolarHBondContact O-N 2.71Å
877	E	92.4	Very high	92.7	Very high	148 Å²	148	69.4 Å²	69.4	69%	0.692	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-61.6	-35.1	-172.9	-44.1	-145.2	119.3	0	0	112.8	E875 N879 R880	E875-E877 PolarHBondContact O-N 3.18Å; E877-N879 PolarHBondContact O-N 3.17Å; E877-N879 VanDerWaalsContact O-N 3.08Å; E877-R880 WeakPolarHBondContact O-CB 3.26Å; E877-R880 PolarHBondContact O-N 2.79Å; E877-R880 IonicContact OE1-CZ 3.36Å; E877-R880 IonicContact OE1-NH1 3.64Å; E877-R880 PolarHBondContact OE1-NH1 3.38Å; E877-R880 IonicContact OE1-NH2 3.17Å
878	A	94.2	Very high	92.5	Very high	84 Å²	84	71.7 Å²	71.7	69%	0.694	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-61.5	-14	176.3	0	0	0	0	0	114.5	L876 H881	L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 3.12Å; A878-H881 PolarHBondContact O-CE1 3.46Å
879	N	93.4	Very high	92.1	Very high	40 Å²	40	72.5 Å²	72.5	21%	0.214	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-96.7	-11.4	175.5	-65.5	-27.3	0	0	0	113.1	H873 L876 E877 H881	H873-N879 WeakPolarHBondContact O-CB 3.23Å; H873-N879 PolarHBondContact O-ND2 3.24Å; L876-N879 PolarHBondContact O-N 2.71Å; E877-N879 PolarHBondContact O-N 3.17Å; E877-N879 VanDerWaalsContact O-N 3.08Å; N879-H881 PolarHBondContact O-N 2.69Å; N879-H881 PolarHBondContact O-ND1 2.62Å
880	R	93.6	Very high	91.9	Very high	59 Å²	59	69.8 Å²	69.8	22%	0.223	37%	0.374	C	S	.	.			trans	-80.1	52.9	-172.9	-59.3	-178.5	-167	154.4	5.4	113.1	Y874 E875 E877 M882 Y900 Y934	Y874-R880 WeakPolarHBondContact O-CG 3.31Å; Y874-R880 PolarHBondContact O-NE 3.03Å; E875-R880 PolarHBondContact O-NH2 2.69Å; E875-R880 IonicContact OE1-NH2 2.75Å; E877-R880 WeakPolarHBondContact O-CB 3.26Å; E877-R880 PolarHBondContact O-N 2.79Å; E877-R880 IonicContact OE1-CZ 3.36Å; E877-R880 IonicContact OE1-NH1 3.64Å; E877-R880 PolarHBondContact OE1-NH1 3.38Å; E877-R880 IonicContact OE1-NH2 3.17Å; R880-M882 PolarHBondContact O-N 2.86Å; R880-Y900 VanDerWaalsContact CZ-OH 3.28Å; R880-Y900 PolarHBondContact NE-OH 3.05Å; R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 WeakPolarHBondContact O-CD1 3.39Å
881	H	93.4	Very high	91.9	Very high	117 Å²	117	71.6 Å²	71.6	54%	0.542	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65.8	117.7	175.8	-58.9	88.5	0	0	0	109.9	A878 N879 Y934 S935	A878-H881 PolarHBondContact O-CE1 3.46Å; N879-H881 PolarHBondContact O-N 2.69Å; N879-H881 PolarHBondContact O-ND1 2.62Å; H881-Y934 CarbonylContact O-C 3.58Å; H881-Y934 VanDerWaalsContact O-CA 3.23Å; H881-Y934 WeakPolarHBondContact O-CA 3.35Å; H881-Y934 WeakPolarHBondContact O-CB 3.3Å; H881-S935 PolarHBondContact O-N 2.89Å
882	M	92.6	Very high	91.9	Very high	115 Å²	115	71.2 Å²	71.2	57%	0.567	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-58.7	144.3	173.2	-81.5	173.8	46.8	0	0	111.1	R880 P884 L933 S935	R880-M882 PolarHBondContact O-N 2.86Å; M882-P884 WeakPolarHBondContact O-CD 3.32Å; M882-L933 WeakPolarHBondContact CA-O 3.27Å; M882-S935 PolarHBondContact O-OG 2.73Å
883	H	90.7	Very high	92	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.037	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-69.9	119.9	177.8	-158.2	-67.4	0	0	0	110.2	N885 P886 E890 L933	H883-N885 PolarHBondContact CE1-O 3.26Å; H883-N885 PolarHBondContact ND1-O 3.18Å; H883-P886 HydrophobicContact CB-CG 4.43Å; H883-P886 WeakPolarHBondContact ND1-CA 3.34Å; H883-E890 IonicContact CE1-OE2 3.43Å; H883-E890 PolarHBondContact CE1-OE2 3.42Å; H883-E890 VanDerWaalsContact NE2-CD 3.35Å; H883-E890 IonicContact NE2-OE1 2.72Å; H883-E890 IonicContact NE2-OE2 2.67Å; H883-E890 PolarHBondContact NE2-OE2 2.72Å; H883-L933 HydrophobicContact CB-CB 4.13Å; H883-L933 HydrophobicContact CB-CD2 3.86Å; H883-L933 HydrophobicContact CB-CG 4.05Å; H883-L933 PolarHBondContact N-O 2.78Å
884	P	84.9	Confident	92	Very high	116 Å²	116	61 Å²	61	75%	0.753	34%	0.34	S	S	*	.	S	Bend	trans	-74.9	-33.9	-167.4	27.8	-35.1	0	0	0	113.5	M882	M882-P884 WeakPolarHBondContact O-CD 3.32Å
885	N	87.9	Confident	91.9	Very high	112 Å²	112	64.6 Å²	64.6	60%	0.599	36%	0.356	S	S	*	.	S	Bend	trans	-153.6	95.3	175.5	-178.1	23.8	0	0	0	109	H883 V887	H883-N885 PolarHBondContact CE1-O 3.26Å; H883-N885 PolarHBondContact ND1-O 3.18Å; N885-V887 PolarHBondContact O-N 3.37Å
886	P	88.9	Confident	91.6	Very high	12 Å²	12	61.9 Å²	61.9	8%	0.078	34%	0.344	C	S	.	.			trans	-64.5	130.5	-179	-19.2	31.5	0	0	0	111.7	H883 I905 V908 V914 T930 L933	H883-P886 HydrophobicContact CB-CG 4.43Å; H883-P886 WeakPolarHBondContact ND1-CA 3.34Å; P886-I905 HydrophobicContact CB-CD1 3.79Å; P886-V908 HydrophobicContact CB-CG2 4.39Å; P886-V908 VanDerWaalsContact O-CG2 3.27Å; P886-V908 WeakPolarHBondContact O-CG2 3.22Å; P886-V914 HydrophobicContact CB-CG1 3.88Å; P886-V914 HydrophobicContact CG-CG1 4.09Å; P886-T930 HydrophobicContact CG-CG2 3.65Å; P886-L933 HydrophobicContact CB-CD2 3.79Å; P886-L933 HydrophobicContact CG-CD2 3.79Å
887	V	89.3	Confident	91.1	Very high	70 Å²	70	63.1 Å²	63.1	42%	0.424	35%	0.35	S	S	.	.			trans	-121.4	136.3	177.7	-176.7	0	0	0	0	110.5	N885 G889 E890 I905	N885-V887 PolarHBondContact O-N 3.37Å; V887-G889 PolarHBondContact O-N 3.3Å; V887-E890 WeakPolarHBondContact O-CB 3.3Å; V887-E890 PolarHBondContact O-N 3.48Å; V887-E890 VanDerWaalsContact O-N 3.07Å; V887-I905 WeakPolarHBondContact O-CB 3.41Å; V887-I905 WeakPolarHBondContact O-CD1 3.4Å
888	P	87.4	Confident	90.8	Very high	62 Å²	62	61 Å²	61	40%	0.403	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	129.1	174.8	-25.3	36.1	0	0	0	112.2	V908	P888-V908 HydrophobicContact CG-CG2 4.25Å
889	G	85.5	Confident	90.6	Very high	48 Å²	48	58.5 Å²	58.5	50%	0.495	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-22.9	-173.3	0	0	0	0	0	114.6	V887 I905	V887-G889 PolarHBondContact O-N 3.3Å; G889-I905 PolarHBondContact N-O 3.49Å
890	E	90.9	Very high	90.7	Very high	66 Å²	66	56.9 Å²	56.9	31%	0.308	31%	0.307	S	S	.	.			trans	-76.3	151.1	178.8	179.2	166.8	-154.6	0	0	112.5	H883 V887 I905 K941	H883-E890 IonicContact CE1-OE2 3.43Å; H883-E890 PolarHBondContact CE1-OE2 3.42Å; H883-E890 VanDerWaalsContact NE2-CD 3.35Å; H883-E890 IonicContact NE2-OE1 2.72Å; H883-E890 IonicContact NE2-OE2 2.67Å; H883-E890 PolarHBondContact NE2-OE2 2.72Å; V887-E890 WeakPolarHBondContact O-CB 3.3Å; V887-E890 PolarHBondContact O-N 3.48Å; V887-E890 VanDerWaalsContact O-N 3.07Å; E890-I905 HydrophobicContact CB-CD1 4.14Å; E890-I905 PolarHBondContact O-N 2.9Å; E890-K941 IonicContact OE1-NZ 3.56Å
891	M	94.4	Very high	90.7	Very high	40 Å²	40	54.4 Å²	54.4	20%	0.197	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.4	175.5	-165.8	-170.5	-55.3	0	0	111.2	R902 V903 L919 C936 K941	M891-R902 HydrophobicContact SD-CB 4.4Å; M891-V903 CarbonylContact C-O 3.56Å; M891-V903 VanDerWaalsContact CA-O 3.29Å; M891-V903 WeakPolarHBondContact CA-O 3.38Å; M891-V903 VanDerWaalsContact CG-O 3.29Å; M891-V903 WeakPolarHBondContact CG-O 3.27Å; M891-L919 HydrophobicContact CE-CD1 4.05Å; M891-L919 HydrophobicContact CG-CD1 3.81Å; M891-L919 HydrophobicContact SD-CD1 3.96Å; M891-C936 HydrophobicContact CG-CB 4.45Å; M891-C936 WeakPolarHBondContact O-CB 3.29Å; M891-K941 HydrophobicContact CB-CG 4.49Å
892	A	95.4	Very high	90.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-175.9	-178.9	0	0	0	0	0	110.9	R902 V903 I905 L933 Y934	A892-R902 WeakPolarHBondContact O-CA 3.36Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 2.86Å; A892-V903 PolarHBondContact O-N 3.39Å; A892-I905 HydrophobicContact CB-CD1 4.41Å; A892-L933 HydrophobicContact CB-CD1 3.66Å; A892-L933 HydrophobicContact CB-CD2 3.84Å; A892-L933 HydrophobicContact CB-CG 3.66Å; A892-Y934 WeakPolarHBondContact CB-O 3.43Å
893	V	96.5	Very high	91	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.4	176	175.4	0	0	0	0	110.3	Y874 Y900 E901 R902 Y934 C936	Y874-V893 HydrophobicContact CD1-CG1 4.45Å; Y874-V893 HydrophobicContact CD2-CG1 4Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.45Å; Y874-V893 HydrophobicContact CE2-CB 4.26Å; Y874-V893 HydrophobicContact CE2-CG1 4.13Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.17Å; V893-Y900 HydrophobicContact CG1-CD1 4.31Å; V893-E901 WeakPolarHBondContact CA-O 3.36Å; V893-R902 HydrophobicContact CG2-CG 4.36Å; V893-Y934 PolarHBondContact N-O 2.76Å; V893-Y934 PolarHBondContact O-N 3.26Å; V893-C936 HydrophobicContact CG2-CB 4.27Å
894	V	95.3	Very high	91.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.3	173.7	-61.7	0	0	0	0	111.3	N896 Y900 E901 V903 V916 L918 Y928 L933	V894-N896 HydrophobicContact CG2-CB 4.3Å; V894-Y900 WeakPolarHBondContact O-CA 3.37Å; V894-E901 PolarHBondContact N-O 3.44Å; V894-E901 PolarHBondContact O-N 3.33Å; V894-V903 HydrophobicContact CB-CG1 4.47Å; V894-V903 HydrophobicContact CG1-CG1 4.17Å; V894-V903 HydrophobicContact CG1-CG2 4.14Å; V894-V903 HydrophobicContact CG2-CG1 3.64Å; V894-V916 HydrophobicContact CG1-CG2 4.36Å; V894-L918 HydrophobicContact CG2-CD2 4.45Å; V894-Y928 HydrophobicContact CB-CE1 4.23Å; V894-Y928 HydrophobicContact CB-CE2 4.3Å; V894-Y928 HydrophobicContact CG1-CD1 4.42Å; V894-Y928 HydrophobicContact CG1-CD2 4.04Å; V894-Y928 HydrophobicContact CG1-CE2 4.16Å; V894-Y928 HydrophobicContact CG1-CG 4.17Å; V894-Y928 HydrophobicContact CG2-CE1 4.41Å; V894-Y928 HydrophobicContact CG2-CE2 3.98Å; V894-L933 HydrophobicContact CG1-CD1 3.61Å
895	K	93.7	Very high	91.4	Very high	74 Å²	74	39.3 Å²	39.3	32%	0.322	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.8	164.5	-163.6	174.6	-164.2	148.1	0	110.1	E875 R899 Y900	E875-K895 IonicContact OE1-NZ 2.69Å; E875-K895 PolarHBondContact OE1-NZ 3.12Å; K895-R899 CarbonylContact C-O 3.41Å; K895-R899 VanDerWaalsContact CA-O 3.29Å; K895-R899 WeakPolarHBondContact CA-O 3.24Å; K895-Y900 HydrophobicContact CB-CD1 4.17Å; K895-Y900 HydrophobicContact CB-CE1 3.84Å; K895-Y900 HydrophobicContact CD-CE1 4.06Å; K895-Y900 HydrophobicContact CD-CE2 4.27Å; K895-Y900 WeakPolarHBondContact CD-OH 3.48Å; K895-Y900 HydrophobicContact CG-CD1 4.39Å; K895-Y900 HydrophobicContact CG-CE1 3.99Å; K895-Y900 HydrophobicContact CG-CE2 4.47Å; K895-Y900 PolarHBondContact NZ-OH 3.18Å
896	N	88.3	Confident	91.5	Very high	21 Å²	21	37 Å²	37	11%	0.112	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115	-177	-175.3	15.9	0	0	0	110.6	V894 N898 R899 E901 Y928	V894-N896 HydrophobicContact CG2-CB 4.3Å; N896-N898 VanDerWaalsContact C-N 3.3Å; N896-N898 PolarHBondContact O-N 2.91Å; N896-R899 PolarHBondContact N-O 2.97Å; N896-R899 WeakPolarHBondContact O-CB 3.13Å; N896-R899 PolarHBondContact O-N 3.27Å; N896-E901 HydrophobicContact CB-CG 4.42Å; N896-E901 VanDerWaalsContact CB-OE2 3.31Å; N896-E901 WeakPolarHBondContact CB-OE2 3.46Å; N896-E901 PolarHBondContact ND2-OE2 2.97Å; N896-Y928 VanDerWaalsContact CB-OH 3.32Å; N896-Y928 WeakPolarHBondContact CB-OH 3.28Å; N896-Y928 VanDerWaalsContact CG-OH 3.25Å; N896-Y928 PolarHBondContact OD1-OH 3.07Å
897	I	84	Confident	91.3	Very high	134 Å²	134	38.3 Å²	38.3	69%	0.687	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.4	55.8	-177.9	-47.1	171.9	0	0	0	111.1	R899	I897-R899 PolarHBondContact O-N 3.27Å; I897-R899 VanDerWaalsContact O-N 3.07Å
898	N	86.6	Confident	91.1	Very high	104 Å²	104	38.2 Å²	38.2	56%	0.556	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	7.5	-177.2	-65.3	-28.8	0	0	0	117.3	L859 Q871 N896	L859-N898 HydrophobicContact CD1-CB 3.87Å; Q871-N898 PolarHBondContact NE2-O 3.29Å; N896-N898 VanDerWaalsContact C-N 3.3Å; N896-N898 PolarHBondContact O-N 2.91Å
899	R	90.8	Very high	90.7	Very high	30 Å²	30	39 Å²	39	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	149.9	168.1	-60.3	-167.5	-59.6	-83.3	-4.3	111.8	F858 K895 N896 I897 E901	F858-R899 HydrophobicContact CD1-CG 3.96Å; F858-R899 HydrophobicContact CE1-CG 4.06Å; K895-R899 CarbonylContact C-O 3.41Å; K895-R899 VanDerWaalsContact CA-O 3.29Å; K895-R899 WeakPolarHBondContact CA-O 3.24Å; N896-R899 PolarHBondContact N-O 2.97Å; N896-R899 WeakPolarHBondContact O-CB 3.13Å; N896-R899 PolarHBondContact O-N 3.27Å; I897-R899 PolarHBondContact O-N 3.27Å; I897-R899 VanDerWaalsContact O-N 3.07Å; R899-E901 HydrophobicContact CB-CG 3.96Å; R899-E901 IonicContact CZ-OE1 2.67Å; R899-E901 IonicContact NE-OE1 3.91Å; R899-E901 PolarHBondContact NE-OE1 2.9Å; R899-E901 IonicContact NH2-OE1 3.07Å; R899-E901 PolarHBondContact NH2-OE1 3.06Å
900	Y	94.4	Very high	89.6	Confident	7 Å²	7	42.3 Å²	42.3	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.9	164.9	-68.8	-82.2	0	0	0	109.6	Y874 R880 V893 V894 K895 Y934	Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 VanDerWaalsContact CB-CG 3.45Å; Y874-Y900 HydrophobicContact CG-CD1 4.32Å; Y874-Y900 HydrophobicContact CG-CG 4.48Å; R880-Y900 VanDerWaalsContact CZ-OH 3.28Å; R880-Y900 PolarHBondContact NE-OH 3.05Å; V893-Y900 HydrophobicContact CG1-CD1 4.31Å; V894-Y900 WeakPolarHBondContact O-CA 3.37Å; K895-Y900 HydrophobicContact CB-CD1 4.17Å; K895-Y900 HydrophobicContact CB-CE1 3.84Å; K895-Y900 HydrophobicContact CD-CE1 4.06Å; K895-Y900 HydrophobicContact CD-CE2 4.27Å; K895-Y900 WeakPolarHBondContact CD-OH 3.48Å; K895-Y900 HydrophobicContact CG-CD1 4.39Å; K895-Y900 HydrophobicContact CG-CE1 3.99Å; K895-Y900 HydrophobicContact CG-CE2 4.47Å; K895-Y900 PolarHBondContact NZ-OH 3.18Å; Y900-Y934 HydrophobicContact CD1-CD2 4.49Å; Y900-Y934 HydrophobicContact CD1-CE2 4.33Å; Y900-Y934 HydrophobicContact CE1-CD2 4.36Å; Y900-Y934 AromaticContact CE1-CE2 3.83Å; Y900-Y934 HydrophobicContact CE1-CE2 3.83Å
901	E	94.1	Very high	88.3	Confident	7 Å²	7	42.7 Å²	42.7	3%	0.033	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.4	-170.4	-58.1	-171.8	142.6	0	0	110.6	V893 V894 N896 R899 L918 T921	V893-E901 WeakPolarHBondContact CA-O 3.36Å; V894-E901 PolarHBondContact N-O 3.44Å; V894-E901 PolarHBondContact O-N 3.33Å; N896-E901 HydrophobicContact CB-CG 4.42Å; N896-E901 VanDerWaalsContact CB-OE2 3.31Å; N896-E901 WeakPolarHBondContact CB-OE2 3.46Å; N896-E901 PolarHBondContact ND2-OE2 2.97Å; R899-E901 HydrophobicContact CB-CG 3.96Å; R899-E901 IonicContact CZ-OE1 2.67Å; R899-E901 IonicContact NE-OE1 3.91Å; R899-E901 PolarHBondContact NE-OE1 2.9Å; R899-E901 IonicContact NH2-OE1 3.07Å; R899-E901 PolarHBondContact NH2-OE1 3.06Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.49Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.23Å; E901-T921 WeakPolarHBondContact OE1-CB 3.47Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.29Å; E901-T921 PolarHBondContact OE1-OG1 3.32Å; E901-T921 PolarHBondContact OE2-OG1 3.47Å
902	R	96	Very high	87.5	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.8	174	-57.6	-173.5	-55.4	151.1	4.6	110.1	V870 M891 A892 V893 L919 D920 F940 S943 P944	V870-R902 HydrophobicContact CG1-CG 4.39Å; V870-R902 HydrophobicContact CG2-CG 4.08Å; M891-R902 HydrophobicContact SD-CB 4.4Å; A892-R902 WeakPolarHBondContact O-CA 3.36Å; V893-R902 HydrophobicContact CG2-CG 4.36Å; R902-L919 HydrophobicContact CB-CB 4.43Å; R902-L919 HydrophobicContact CB-CD1 4.2Å; R902-L919 WeakPolarHBondContact O-CB 3.33Å; R902-L919 PolarHBondContact O-N 3.17Å; R902-L919 VanDerWaalsContact O-N 3.08Å; R902-D920 IonicContact CZ-OD1 3.18Å; R902-D920 IonicContact CZ-OD2 3.66Å; R902-D920 IonicContact NE-OD1 2.8Å; R902-D920 IonicContact NE-OD2 3.83Å; R902-D920 PolarHBondContact NE-OD2 2.87Å; R902-D920 VanDerWaalsContact NH2-CG 3.34Å; R902-D920 IonicContact NH2-OD1 2.75Å; R902-D920 PolarHBondContact NH2-OD1 3.22Å; R902-D920 IonicContact NH2-OD2 3.72Å; R902-D920 PolarHBondContact NH2-OD2 3.08Å; R902-F940 WeakPolarHBondContact CD-O 3.27Å; R902-F940 PolarHBondContact NH1-O 3.36Å; R902-S943 PolarHBondContact NH1-O 3.15Å; R902-P944 PolarHBondContact NH2-O 2.77Å
903	V	95.4	Very high	87.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.4	-177.7	-50.5	0	0	0	0	111.3	M891 A892 V894 V916 Q917 L918 L933	M891-V903 CarbonylContact C-O 3.56Å; M891-V903 VanDerWaalsContact CA-O 3.29Å; M891-V903 WeakPolarHBondContact CA-O 3.38Å; M891-V903 VanDerWaalsContact CG-O 3.29Å; M891-V903 WeakPolarHBondContact CG-O 3.27Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 2.86Å; A892-V903 PolarHBondContact O-N 3.39Å; V894-V903 HydrophobicContact CB-CG1 4.47Å; V894-V903 HydrophobicContact CG1-CG1 4.17Å; V894-V903 HydrophobicContact CG1-CG2 4.14Å; V894-V903 HydrophobicContact CG2-CG1 3.64Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.8Å; V903-V916 HydrophobicContact CG1-CB 4.5Å; V903-V916 HydrophobicContact CG1-CG2 3.91Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.06Å; V903-V916 HydrophobicContact CG2-CG2 3.84Å; V903-Q917 CarbonylContact C-O 3.46Å; V903-Q917 WeakPolarHBondContact CA-O 3.41Å; V903-Q917 WeakPolarHBondContact CB-O 3.28Å; V903-L918 HydrophobicContact CG1-CD2 3.54Å; V903-L933 HydrophobicContact CG2-CD1 3.97Å
904	H	93.1	Very high	86.8	Confident	38 Å²	38	45.9 Å²	45.9	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.9	170.8	172.8	-53.7	0	0	0	108.4	V906 V916 Q917 L919 R998	H904-V906 PolarHBondContact O-N 2.67Å; H904-V916 WeakPolarHBondContact O-CA 3.48Å; H904-Q917 PolarHBondContact N-O 3.1Å; H904-Q917 PolarHBondContact O-N 2.97Å; H904-L919 HydrophobicContact CB-CD1 4.29Å; H904-L919 HydrophobicContact CB-CD2 3.95Å; H904-L919 HydrophobicContact CB-CG 4.37Å; H904-R998 PolarHBondContact NE2-NH2 3.07Å
905	I	92.3	Very high	86.7	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124	179.3	-57.8	157.3	0	0	0	108.2	P886 V887 G889 E890 A892 V908 V916 L933	P886-I905 HydrophobicContact CB-CD1 3.79Å; V887-I905 WeakPolarHBondContact O-CB 3.41Å; V887-I905 WeakPolarHBondContact O-CD1 3.4Å; G889-I905 PolarHBondContact N-O 3.49Å; E890-I905 HydrophobicContact CB-CD1 4.14Å; E890-I905 PolarHBondContact O-N 2.9Å; A892-I905 HydrophobicContact CB-CD1 4.41Å; I905-V908 HydrophobicContact CG2-CG2 4.35Å; I905-V916 HydrophobicContact CG1-CG1 4.27Å; I905-L933 HydrophobicContact CD1-CD2 3.99Å; I905-L933 HydrophobicContact CG1-CD2 4.21Å
906	V	88.7	Confident	86.7	Confident	64 Å²	64	44.4 Å²	44.4	39%	0.388	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-44.8	-177.9	-178.2	0	0	0	0	110.1	H904 L915 Q917	H904-V906 PolarHBondContact O-N 2.67Å; V906-L915 WeakPolarHBondContact CA-O 3.24Å; V906-L915 HydrophobicContact CB-CD2 4.36Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.49Å; V906-L915 HydrophobicContact CG1-CD2 4.26Å; V906-L915 PolarHBondContact N-O 2.85Å; V906-Q917 HydrophobicContact CG2-CB 3.76Å
907	S	86.3	Confident	86.9	Confident	39 Å²	39	45 Å²	45	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	150.2	173.8	45.9	0	0	0	0	110.5	L915	S907-L915 PolarHBondContact N-O 3.37Å; S907-L915 PolarHBondContact O-N 2.79Å; S907-L915 WeakPolarHBondContact OG-CB 3.05Å
908	V	84.3	Confident	87.4	Confident	68 Å²	68	38.8 Å²	38.8	41%	0.412	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.2	164.8	-175.1	0	0	0	0	106.6	P886 P888 I905 V914	P886-V908 HydrophobicContact CB-CG2 4.39Å; P886-V908 VanDerWaalsContact O-CG2 3.27Å; P886-V908 WeakPolarHBondContact O-CG2 3.22Å; P888-V908 HydrophobicContact CG-CG2 4.25Å; I905-V908 HydrophobicContact CG2-CG2 4.35Å; V908-V914 HydrophobicContact CG1-CG1 4.31Å; V908-V914 HydrophobicContact CG2-CG1 4.27Å
909	E	79.1	Confident	87.8	Confident	78 Å²	78	34 Å²	34	36%	0.364	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	151.2	178.8	-64.5	169.6	173.5	0	0	108.4	N911 M913 S927	E909-N911 PolarHBondContact O-N 3.42Å; E909-M913 HydrophobicContact CB-CB 4.19Å; E909-M913 PolarHBondContact N-O 2.99Å; E909-S927 PolarHBondContact OE2-OG 2.82Å
910	S	62.8	Low	87.8	Confident	117 Å²	117	33.1 Å²	33.1	82%	0.818	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.1	-170.3	35.5	0	0	0	0	114.9	A912	S910-A912 VanDerWaalsContact C-N 3.28Å; S910-A912 PolarHBondContact O-N 2.86Å
911	N	62.2	Low	87.6	Confident	75 Å²	75	33.5 Å²	33.5	40%	0.401	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	32.5	-165.8	-58.7	56.8	0	0	0	112.9	E154 E909 M913	E154-N911 WeakPolarHBondContact OE1-CB 3.38Å; E154-N911 PolarHBondContact OE1-ND2 3.06Å; E154-N911 WeakPolarHBondContact OE2-CA 3.49Å; E154-N911 VanDerWaalsContact OE2-CB 3.25Å; E154-N911 WeakPolarHBondContact OE2-CB 3.26Å; E154-N911 PolarHBondContact OE2-ND2 3.31Å; E909-N911 PolarHBondContact O-N 3.42Å; N911-M913 HydrophobicContact CB-CG 4.35Å; N911-M913 PolarHBondContact O-N 2.94Å; N911-M913 VanDerWaalsContact O-N 3.13Å
912	A	77.3	Confident	87.4	Confident	62 Å²	62	33.4 Å²	33.4	51%	0.512	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	30.6	-167.6	0	0	0	0	0	114	S910 T930	S910-A912 VanDerWaalsContact C-N 3.28Å; S910-A912 PolarHBondContact O-N 2.86Å; A912-T930 PolarHBondContact O-N 2.84Å; A912-T930 PolarHBondContact O-OG1 2.79Å
913	M	88.7	Confident	87.2	Confident	45 Å²	45	34.3 Å²	34.3	22%	0.222	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.6	175	-67	-62.8	-62	0	0	109.8	E909 N911 S927 Y928 K929	E909-M913 HydrophobicContact CB-CB 4.19Å; E909-M913 PolarHBondContact N-O 2.99Å; N911-M913 HydrophobicContact CB-CG 4.35Å; N911-M913 PolarHBondContact O-N 2.94Å; N911-M913 VanDerWaalsContact O-N 3.13Å; M913-S927 WeakPolarHBondContact CE-OG 3.39Å; M913-Y928 CarbonylContact C-O 3.53Å; M913-Y928 WeakPolarHBondContact CA-O 3.27Å; M913-Y928 VanDerWaalsContact CE-C 3.42Å; M913-Y928 WeakPolarHBondContact CE-O 3.47Å; M913-K929 HydrophobicContact CE-CG 4.5Å; M913-K929 HydrophobicContact SD-CB 4.3Å; M913-K929 HydrophobicContact SD-CG 3.47Å; M913-K929 WeakPolarHBondContact SD-CG 3.45Å
914	V	90.3	Very high	86.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.8	179.1	-73.5	0	0	0	0	109.7	P886 V908 V916 S927 Y928 L933	P886-V914 HydrophobicContact CB-CG1 3.88Å; P886-V914 HydrophobicContact CG-CG1 4.09Å; V908-V914 HydrophobicContact CG1-CG1 4.31Å; V908-V914 HydrophobicContact CG2-CG1 4.27Å; V914-V916 HydrophobicContact CB-CG1 4.14Å; V914-V916 HydrophobicContact CG2-CG1 4.07Å; V914-S927 WeakPolarHBondContact O-CA 3.39Å; V914-Y928 WeakPolarHBondContact CG2-O 3.46Å; V914-Y928 PolarHBondContact N-O 3.42Å; V914-Y928 PolarHBondContact O-N 2.89Å; V914-L933 HydrophobicContact CG2-CD1 4.43Å; V914-L933 HydrophobicContact CG2-CD2 4.3Å
915	L	92.2	Very high	86.8	Confident	43 Å²	43	38.8 Å²	38.8	23%	0.225	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.3	171.8	-175.9	66.8	0	0	0	108.2	V906 S907 C925	V906-L915 WeakPolarHBondContact CA-O 3.24Å; V906-L915 HydrophobicContact CB-CD2 4.36Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.49Å; V906-L915 HydrophobicContact CG1-CD2 4.26Å; V906-L915 PolarHBondContact N-O 2.85Å; S907-L915 PolarHBondContact N-O 3.37Å; S907-L915 PolarHBondContact O-N 2.79Å; S907-L915 WeakPolarHBondContact OG-CB 3.05Å; L915-C925 HydrophobicContact CD1-CB 3.87Å; L915-C925 HydrophobicContact CG-CB 4.24Å
916	V	93.3	Very high	86.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.4	-175.9	-49.9	0	0	0	0	111.1	V894 V903 H904 I905 V914 C925 F926 Y928 L933	V894-V916 HydrophobicContact CG1-CG2 4.36Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.8Å; V903-V916 HydrophobicContact CG1-CB 4.5Å; V903-V916 HydrophobicContact CG1-CG2 3.91Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.06Å; V903-V916 HydrophobicContact CG2-CG2 3.84Å; H904-V916 WeakPolarHBondContact O-CA 3.48Å; I905-V916 HydrophobicContact CG1-CG1 4.27Å; V914-V916 HydrophobicContact CB-CG1 4.14Å; V914-V916 HydrophobicContact CG2-CG1 4.07Å; V916-C925 CarbonylContact O-C 3.55Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.49Å; V916-F926 PolarHBondContact N-O 2.95Å; V916-F926 PolarHBondContact O-N 2.84Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 4Å; V916-L933 HydrophobicContact CG1-CD1 4.1Å
917	Q	93.8	Very high	86.9	Confident	33 Å²	33	41.7 Å²	41.7	15%	0.154	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.5	174.6	174.5	165.9	66.9	0	0	109.6	V903 H904 V906 T923	V903-Q917 CarbonylContact C-O 3.46Å; V903-Q917 WeakPolarHBondContact CA-O 3.41Å; V903-Q917 WeakPolarHBondContact CB-O 3.28Å; H904-Q917 PolarHBondContact N-O 3.1Å; H904-Q917 PolarHBondContact O-N 2.97Å; V906-Q917 HydrophobicContact CG2-CB 3.76Å; Q917-T923 PolarHBondContact NE2-O 2.98Å
918	L	94.1	Very high	87.1	Confident	3 Å²	3	41 Å²	41	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	147.2	172.1	-56.9	-171.1	0	0	0	110.6	V894 E901 V903 S922 E924 F926	V894-L918 HydrophobicContact CG2-CD2 4.45Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.49Å; V903-L918 HydrophobicContact CG1-CD2 3.54Å; L918-S922 CarbonylContact C-O 3.51Å; L918-S922 VanDerWaalsContact C-O 3.32Å; L918-E924 PolarHBondContact N-O 2.78Å; L918-F926 HydrophobicContact CD1-CD2 3.97Å; L918-F926 HydrophobicContact CD1-CE2 3.52Å; L918-F926 HydrophobicContact CD1-CZ 4.44Å; L918-F926 HydrophobicContact CD2-CD2 4.28Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.8Å
919	L	94.1	Very high	87.5	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	24%	0.243	C	C	.	.	S	Bend	trans	-110.1	-27.2	-175.2	-65	177.1	0	0	0	115	M891 R902 H904 R945 E946 A947	M891-L919 HydrophobicContact CE-CD1 4.05Å; M891-L919 HydrophobicContact CG-CD1 3.81Å; M891-L919 HydrophobicContact SD-CD1 3.96Å; R902-L919 HydrophobicContact CB-CB 4.43Å; R902-L919 HydrophobicContact CB-CD1 4.2Å; R902-L919 WeakPolarHBondContact O-CB 3.33Å; R902-L919 PolarHBondContact O-N 3.17Å; R902-L919 VanDerWaalsContact O-N 3.08Å; H904-L919 HydrophobicContact CB-CD1 4.29Å; H904-L919 HydrophobicContact CB-CD2 3.95Å; H904-L919 HydrophobicContact CB-CG 4.37Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.24Å; L919-R945 WeakPolarHBondContact O-CB 3.48Å; L919-E946 PolarHBondContact O-N 2.9Å; L919-A947 WeakPolarHBondContact O-CB 3.48Å; L919-A947 PolarHBondContact O-N 3.47Å
920	D	92.5	Very high	88	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.059	24%	0.236	C	C	.	.	S	Bend	trans	-123.6	-22.6	-167.2	-58	-42.7	0	0	0	114.8	L836 R902 E946	L836-D920 WeakPolarHBondContact CD1-O 3.24Å; R902-D920 IonicContact CZ-OD1 3.18Å; R902-D920 IonicContact CZ-OD2 3.66Å; R902-D920 IonicContact NE-OD1 2.8Å; R902-D920 IonicContact NE-OD2 3.83Å; R902-D920 PolarHBondContact NE-OD2 2.87Å; R902-D920 VanDerWaalsContact NH2-CG 3.34Å; R902-D920 IonicContact NH2-OD1 2.75Å; R902-D920 PolarHBondContact NH2-OD1 3.22Å; R902-D920 IonicContact NH2-OD2 3.72Å; R902-D920 PolarHBondContact NH2-OD2 3.08Å; D920-E946 HydrophobicContact CB-CB 4.23Å; D920-E946 PolarHBondContact OD1-N 3.22Å
921	T	88.6	Confident	89.3	Confident	16 Å²	16	39.3 Å²	39.3	10%	0.098	22%	0.22	C	C	.	.	S	Bend	trans	-119.6	-18.4	-172.2	61.3	0	0	0	0	114	L836 F861 E901	L836-T921 WeakPolarHBondContact CB-O 3.49Å; F861-T921 HydrophobicContact CD1-CG2 4.39Å; F861-T921 HydrophobicContact CE1-CG2 3.54Å; F861-T921 HydrophobicContact CZ-CG2 3.85Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.23Å; E901-T921 WeakPolarHBondContact OE1-CB 3.47Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.29Å; E901-T921 PolarHBondContact OE1-OG1 3.32Å; E901-T921 PolarHBondContact OE2-OG1 3.47Å
922	S	91.2	Very high	90.7	Very high	4 Å²	4	40 Å²	40	3%	0.028	22%	0.221	C	C	.	.			trans	-156.3	175.3	170.1	-168.9	0	0	0	0	107.9	Y839 L918 E924 A947	Y839-S922 PolarHBondContact OH-OG 3.04Å; L918-S922 CarbonylContact C-O 3.51Å; L918-S922 VanDerWaalsContact C-O 3.32Å; S922-E924 PolarHBondContact OG-N 3.3Å; S922-E924 PolarHBondContact OG-OE2 2.92Å; S922-A947 VanDerWaalsContact O-CB 3.29Å; S922-A947 WeakPolarHBondContact O-CB 3.35Å
923	T	91.1	Very high	91.5	Very high	20 Å²	20	37 Å²	37	12%	0.123	20%	0.197	C	C	.	.			trans	-114.8	6.1	165.9	60.5	0	0	0	0	112.6	Y839 Q917 A947	Y839-T923 WeakPolarHBondContact OH-CA 3.47Å; Y839-T923 PolarHBondContact OH-N 3.37Å; Y839-T923 PolarHBondContact OH-OG1 2.74Å; Q917-T923 PolarHBondContact NE2-O 2.98Å; T923-A947 HydrophobicContact CG2-CB 3.85Å
924	E	90	Very high	91.8	Very high	70 Å²	70	36.7 Å²	36.7	33%	0.327	19%	0.193	S	C	.	.			trans	-63.9	154.2	172.9	-80.3	157.9	142.8	0	0	113	Y839 L918 S922 F926	Y839-E924 HydrophobicContact CD1-CG 4.18Å; Y839-E924 HydrophobicContact CE1-CG 3.49Å; Y839-E924 VanDerWaalsContact CE1-CG 3.49Å; Y839-E924 PolarHBondContact OH-N 2.89Å; L918-E924 PolarHBondContact N-O 2.78Å; S922-E924 PolarHBondContact OG-N 3.3Å; S922-E924 PolarHBondContact OG-OE2 2.92Å; E924-F926 HydrophobicContact CB-CD2 4.32Å; E924-F926 HydrophobicContact CB-CE2 3.48Å; E924-F926 VanDerWaalsContact CB-CE2 3.48Å; E924-F926 HydrophobicContact CB-CZ 3.81Å
925	C	90.4	Very high	92	Very high	62 Å²	62	38.3 Å²	38.3	42%	0.419	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.7	171	-56.2	0	0	0	0	110.6	L915 V916	L915-C925 HydrophobicContact CD1-CB 3.87Å; L915-C925 HydrophobicContact CG-CB 4.24Å; V916-C925 CarbonylContact O-C 3.55Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.49Å
926	F	90.4	Very high	92.1	Very high	70 Å²	70	36.6 Å²	36.6	31%	0.307	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.6	178.5	-62.1	-91.5	0	0	0	109.4	V916 L918 E924 Y928	V916-F926 PolarHBondContact N-O 2.95Å; V916-F926 PolarHBondContact O-N 2.84Å; L918-F926 HydrophobicContact CD1-CD2 3.97Å; L918-F926 HydrophobicContact CD1-CE2 3.52Å; L918-F926 HydrophobicContact CD1-CZ 4.44Å; L918-F926 HydrophobicContact CD2-CD2 4.28Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.8Å; E924-F926 HydrophobicContact CB-CD2 4.32Å; E924-F926 HydrophobicContact CB-CE2 3.48Å; E924-F926 VanDerWaalsContact CB-CE2 3.48Å; E924-F926 HydrophobicContact CB-CZ 3.81Å; F926-Y928 HydrophobicContact CB-CD2 4.11Å; F926-Y928 HydrophobicContact CB-CE2 3.61Å; F926-Y928 HydrophobicContact CG-CE2 4.48Å
927	S	92.1	Very high	92.1	Very high	55 Å²	55	38.7 Å²	38.7	39%	0.385	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.8	174.1	-167.5	0	0	0	0	109.6	E909 M913 V914	E909-S927 PolarHBondContact OE2-OG 2.82Å; M913-S927 WeakPolarHBondContact CE-OG 3.39Å; V914-S927 WeakPolarHBondContact O-CA 3.39Å
928	Y	91.9	Very high	91.8	Very high	26 Å²	26	42.6 Å²	42.6	10%	0.102	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	158.4	178.4	-75.3	-90.7	0	0	0	110.1	V894 N896 M913 V914 V916 F926 Q932	V894-Y928 HydrophobicContact CB-CE1 4.23Å; V894-Y928 HydrophobicContact CB-CE2 4.3Å; V894-Y928 HydrophobicContact CG1-CD1 4.42Å; V894-Y928 HydrophobicContact CG1-CD2 4.04Å; V894-Y928 HydrophobicContact CG1-CE2 4.16Å; V894-Y928 HydrophobicContact CG1-CG 4.17Å; V894-Y928 HydrophobicContact CG2-CE1 4.41Å; V894-Y928 HydrophobicContact CG2-CE2 3.98Å; N896-Y928 VanDerWaalsContact CB-OH 3.32Å; N896-Y928 WeakPolarHBondContact CB-OH 3.28Å; N896-Y928 VanDerWaalsContact CG-OH 3.25Å; N896-Y928 PolarHBondContact OD1-OH 3.07Å; M913-Y928 CarbonylContact C-O 3.53Å; M913-Y928 WeakPolarHBondContact CA-O 3.27Å; M913-Y928 VanDerWaalsContact CE-C 3.42Å; M913-Y928 WeakPolarHBondContact CE-O 3.47Å; V914-Y928 WeakPolarHBondContact CG2-O 3.46Å; V914-Y928 PolarHBondContact N-O 3.42Å; V914-Y928 PolarHBondContact O-N 2.89Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 4Å; F926-Y928 HydrophobicContact CB-CD2 4.11Å; F926-Y928 HydrophobicContact CB-CE2 3.61Å; F926-Y928 HydrophobicContact CG-CE2 4.48Å; Y928-Q932 HydrophobicContact CD1-CB 4.26Å
929	K	91.9	Very high	91.6	Very high	121 Å²	121	47.4 Å²	47.4	53%	0.526	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.9	167.3	-69.4	179	174.5	-174	0	109.8	M913 S931 Q932	M913-K929 HydrophobicContact CE-CG 4.5Å; M913-K929 HydrophobicContact SD-CB 4.3Å; M913-K929 HydrophobicContact SD-CG 3.47Å; M913-K929 WeakPolarHBondContact SD-CG 3.45Å; K929-S931 PolarHBondContact O-N 3.18Å; K929-S931 VanDerWaalsContact O-N 3.11Å; K929-Q932 HydrophobicContact CB-CG 4.19Å; K929-Q932 WeakPolarHBondContact O-CB 3.14Å; K929-Q932 PolarHBondContact O-N 2.75Å
930	T	89.1	Confident	91.5	Very high	35 Å²	35	47.4 Å²	47.4	22%	0.215	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-52.9	-33.6	173.5	-65.2	0	0	0	0	112.4	P886 A912 Q932 L933	P886-T930 HydrophobicContact CG-CG2 3.65Å; A912-T930 PolarHBondContact O-N 2.84Å; A912-T930 PolarHBondContact O-OG1 2.79Å; T930-Q932 PolarHBondContact O-N 2.76Å; T930-L933 WeakPolarHBondContact O-CB 3.36Å; T930-L933 PolarHBondContact O-N 2.75Å; T930-L933 VanDerWaalsContact O-N 3.15Å
931	S	89.4	Confident	91.4	Very high	70 Å²	70	49.6 Å²	49.6	49%	0.49	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-70.8	-9.5	175.7	55.5	0	0	0	0	115.6	K929	K929-S931 PolarHBondContact O-N 3.18Å; K929-S931 VanDerWaalsContact O-N 3.11Å
932	Q	91.6	Very high	91.3	Very high	89 Å²	89	55.5 Å²	55.5	42%	0.416	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-98.3	-0.3	173.7	-61.2	171.7	-51	0	0	112.2	Y928 K929 T930	Y928-Q932 HydrophobicContact CD1-CB 4.26Å; K929-Q932 HydrophobicContact CB-CG 4.19Å; K929-Q932 WeakPolarHBondContact O-CB 3.14Å; K929-Q932 PolarHBondContact O-N 2.75Å; T930-Q932 PolarHBondContact O-N 2.76Å
933	L	94.3	Very high	91.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.5	-179.4	-159	73.9	0	0	0	110.1	M882 H883 P886 A892 V894 V903 I905 V914 V916 T930	M882-L933 WeakPolarHBondContact CA-O 3.27Å; H883-L933 HydrophobicContact CB-CB 4.13Å; H883-L933 HydrophobicContact CB-CD2 3.86Å; H883-L933 HydrophobicContact CB-CG 4.05Å; H883-L933 PolarHBondContact N-O 2.78Å; P886-L933 HydrophobicContact CB-CD2 3.79Å; P886-L933 HydrophobicContact CG-CD2 3.79Å; A892-L933 HydrophobicContact CB-CD1 3.66Å; A892-L933 HydrophobicContact CB-CD2 3.84Å; A892-L933 HydrophobicContact CB-CG 3.66Å; V894-L933 HydrophobicContact CG1-CD1 3.61Å; V903-L933 HydrophobicContact CG2-CD1 3.97Å; I905-L933 HydrophobicContact CD1-CD2 3.99Å; I905-L933 HydrophobicContact CG1-CD2 4.21Å; V914-L933 HydrophobicContact CG2-CD1 4.43Å; V914-L933 HydrophobicContact CG2-CD2 4.3Å; V916-L933 HydrophobicContact CG1-CD1 4.1Å; T930-L933 WeakPolarHBondContact O-CB 3.36Å; T930-L933 PolarHBondContact O-N 2.75Å; T930-L933 VanDerWaalsContact O-N 3.15Å
934	Y	95.4	Very high	91.3	Very high	39 Å²	39	58.4 Å²	58.4	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.8	176.2	-53.6	-67	0	0	0	111.1	R880 H881 A892 V893 Y900 C936	R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 WeakPolarHBondContact O-CD1 3.39Å; H881-Y934 CarbonylContact O-C 3.58Å; H881-Y934 VanDerWaalsContact O-CA 3.23Å; H881-Y934 WeakPolarHBondContact O-CA 3.35Å; H881-Y934 WeakPolarHBondContact O-CB 3.3Å; A892-Y934 WeakPolarHBondContact CB-O 3.43Å; V893-Y934 PolarHBondContact N-O 2.76Å; V893-Y934 PolarHBondContact O-N 3.26Å; Y900-Y934 HydrophobicContact CD1-CD2 4.49Å; Y900-Y934 HydrophobicContact CD1-CE2 4.33Å; Y900-Y934 HydrophobicContact CE1-CD2 4.36Å; Y900-Y934 AromaticContact CE1-CE2 3.83Å; Y900-Y934 HydrophobicContact CE1-CE2 3.83Å; Y934-C936 PolarHBondContact O-N 2.84Å
935	S	94.3	Very high	91.4	Very high	34 Å²	34	57 Å²	57	24%	0.238	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	124.8	172.8	-59.5	0	0	0	0	110.5	Y874 H881 M882	Y874-S935 PolarHBondContact OH-O 2.94Å; H881-S935 PolarHBondContact O-N 2.89Å; M882-S935 PolarHBondContact O-OG 2.73Å
936	C	94.6	Very high	91.6	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.041	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.3	128.4	170.9	-165.6	0	0	0	0	109	Y874 M891 V893 Y934 K941	Y874-C936 WeakPolarHBondContact OH-CA 3.41Å; M891-C936 HydrophobicContact CG-CB 4.45Å; M891-C936 WeakPolarHBondContact O-CB 3.29Å; V893-C936 HydrophobicContact CG2-CB 4.27Å; Y934-C936 PolarHBondContact O-N 2.84Å; C936-K941 HydrophobicContact CB-CG 4.03Å; C936-K941 WeakPolarHBondContact O-CE 3.32Å
937	V	92.8	Very high	91.8	Very high	45 Å²	45	51.1 Å²	51.1	27%	0.273	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-78.5	144.7	174.1	-69	0	0	0	0	110.8	Y874 I939 F940 K941	Y874-V937 PolarHBondContact OH-N 2.87Å; Y874-V937 VanDerWaalsContact OH-N 3.14Å; V937-I939 HydrophobicContact CB-CG1 4.31Å; V937-I939 HydrophobicContact CG2-CD1 4.11Å; V937-I939 HydrophobicContact CG2-CG1 3.61Å; V937-I939 PolarHBondContact O-N 2.79Å; V937-I939 VanDerWaalsContact O-N 3.08Å; V937-F940 HydrophobicContact CG2-CD2 3.32Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.15Å; V937-F940 PolarHBondContact O-N 3.32Å; V937-K941 PolarHBondContact O-N 2.87Å
938	E	88.8	Confident	92	Very high	114 Å²	114	48.5 Å²	48.5	53%	0.533	25%	0.252	S	S	.	.	H	α-helix	trans	-52.2	-38.6	-170.7	-56.7	-52.9	124.1	0	0	113.8	F940 K941 D942	E938-F940 PolarHBondContact O-N 2.92Å; E938-K941 PolarHBondContact O-N 2.65Å; E938-K941 WeakPolarHBondContact OE1-CE 3.36Å; E938-K941 IonicContact OE1-NZ 3.78Å; E938-K941 PolarHBondContact OE1-NZ 3.32Å; E938-K941 WeakPolarHBondContact OE2-CD 3.38Å; E938-K941 IonicContact OE2-NZ 2.73Å; E938-D942 PolarHBondContact O-N 2.86Å
939	I	88.8	Confident	92.2	Very high	104 Å²	104	48 Å²	48	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-56	-15.4	175.5	62.1	167.5	0	0	0	114.8	V937	V937-I939 HydrophobicContact CB-CG1 4.31Å; V937-I939 HydrophobicContact CG2-CD1 4.11Å; V937-I939 HydrophobicContact CG2-CG1 3.61Å; V937-I939 PolarHBondContact O-N 2.79Å; V937-I939 VanDerWaalsContact O-N 3.08Å
940	F	93.1	Very high	92.4	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-112.7	-13.2	174.9	-57.6	-36.9	0	0	0	113.4	L866 R869 V870 H873 Y874 R902 V937 E938	L866-F940 HydrophobicContact CD1-CD1 3.94Å; R869-F940 HydrophobicContact CB-CE1 3.87Å; R869-F940 HydrophobicContact CB-CZ 4.26Å; V870-F940 HydrophobicContact CG2-CB 4.4Å; V870-F940 HydrophobicContact CG2-CD1 3.87Å; V870-F940 HydrophobicContact CG2-CD2 3.92Å; V870-F940 HydrophobicContact CG2-CE1 4.07Å; V870-F940 HydrophobicContact CG2-CE2 4.12Å; V870-F940 HydrophobicContact CG2-CG 3.81Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å; H873-F940 HydrophobicContact CB-CE2 3.77Å; H873-F940 HydrophobicContact CB-CZ 3.8Å; H873-F940 AromaticContact CD2-CE2 3.85Å; H873-F940 AromaticContact CG-CE2 3.76Å; Y874-F940 HydrophobicContact CD2-CE2 4.44Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.85Å; Y874-F940 HydrophobicContact CE2-CE2 3.85Å; R902-F940 WeakPolarHBondContact CD-O 3.27Å; R902-F940 PolarHBondContact NH1-O 3.36Å; V937-F940 HydrophobicContact CG2-CD2 3.32Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.15Å; V937-F940 PolarHBondContact O-N 3.32Å; E938-F940 PolarHBondContact O-N 2.92Å
941	K	89.5	Confident	92.8	Very high	57 Å²	57	42.9 Å²	42.9	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-74.2	-40.2	172.1	-69	-173.3	-176.7	163.3	0	111.7	E890 M891 C936 V937 E938 S943	E890-K941 IonicContact OE1-NZ 3.56Å; M891-K941 HydrophobicContact CB-CG 4.49Å; C936-K941 HydrophobicContact CB-CG 4.03Å; C936-K941 WeakPolarHBondContact O-CE 3.32Å; V937-K941 PolarHBondContact O-N 2.87Å; E938-K941 PolarHBondContact O-N 2.65Å; E938-K941 WeakPolarHBondContact OE1-CE 3.36Å; E938-K941 IonicContact OE1-NZ 3.78Å; E938-K941 PolarHBondContact OE1-NZ 3.32Å; E938-K941 WeakPolarHBondContact OE2-CD 3.38Å; E938-K941 IonicContact OE2-NZ 2.73Å; K941-S943 PolarHBondContact O-N 2.8Å
942	D	87.1	Confident	93.1	Very high	141 Å²	141	39.8 Å²	39.8	75%	0.754	20%	0.203	S	C	*	.	S	Bend	trans	-64.3	-18.6	-179.8	-68	-26.3	0	0	0	114.2	E938	E938-D942 PolarHBondContact O-N 2.86Å
943	S	90.1	Very high	93.3	Very high	26 Å²	26	36.7 Å²	36.7	18%	0.182	19%	0.189	C	C	.	.	S	Bend	trans	-81.9	135.9	-176.7	-63.4	0	0	0	0	111.7	R902 K941	R902-S943 PolarHBondContact NH1-O 3.15Å; K941-S943 PolarHBondContact O-N 2.8Å
944	P	92.1	Very high	93.3	Very high	59 Å²	59	36.7 Å²	36.7	38%	0.383	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-62.3	164.7	176.9	28.3	-36.1	0	0	0	111.9	F852 R902	F852-P944 HydrophobicContact CE1-CG 3.93Å; F852-P944 HydrophobicContact CZ-CB 4.5Å; F852-P944 HydrophobicContact CZ-CG 4Å; R902-P944 PolarHBondContact NH2-O 2.77Å
945	R	92.6	Very high	93.3	Very high	40 Å²	40	34.9 Å²	34.9	15%	0.151	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-75.6	138.2	174.6	66.4	-179	69.7	-146.3	-0.2	110.2	H824 Y825 L919	H824-R945 PolarHBondContact NE2-O 2.94Å; Y825-R945 HydrophobicContact CE2-CG 4.38Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.24Å; L919-R945 WeakPolarHBondContact O-CB 3.48Å
946	E	94.3	Very high	93.2	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.033	17%	0.17	C	C	.	.			trans	-92.7	-25.7	-179.9	-61.3	-168.7	-179	0	0	114.2	R847 F852 S864 L866 L919 D920	R847-E946 WeakPolarHBondContact CD-OE2 3.21Å; R847-E946 HydrophobicContact CG-CB 4.19Å; R847-E946 IonicContact CZ-OE2 3.1Å; R847-E946 IonicContact NE-OE2 2.62Å; R847-E946 IonicContact NH1-OE2 3.4Å; R847-E946 PolarHBondContact NH1-OE2 3Å; F852-E946 HydrophobicContact CB-CB 4.49Å; F852-E946 HydrophobicContact CB-CG 4.19Å; F852-E946 HydrophobicContact CD1-CG 3.79Å; F852-E946 HydrophobicContact CD2-CB 4.4Å; F852-E946 HydrophobicContact CD2-CG 4.38Å; F852-E946 HydrophobicContact CE1-CG 4.28Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.85Å; S864-E946 WeakPolarHBondContact CB-OE1 3.25Å; S864-E946 VanDerWaalsContact CB-OE2 3.27Å; S864-E946 WeakPolarHBondContact CB-OE2 3.5Å; S864-E946 PolarHBondContact OG-OE1 2.9Å; S864-E946 PolarHBondContact OG-OE2 3.17Å; L866-E946 WeakPolarHBondContact CB-OE1 3.15Å; L919-E946 PolarHBondContact O-N 2.9Å; D920-E946 HydrophobicContact CB-CB 4.23Å; D920-E946 PolarHBondContact OD1-N 3.22Å
947	A	94.7	Very high	92.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	17%	0.171	C	C	.	.			trans	-88.1	129	178.5	0	0	0	0	0	111.2	L836 L919 S922 T923	L836-A947 HydrophobicContact CD1-CB 3.91Å; L919-A947 WeakPolarHBondContact O-CB 3.48Å; L919-A947 PolarHBondContact O-N 3.47Å; S922-A947 VanDerWaalsContact O-CB 3.29Å; S922-A947 WeakPolarHBondContact O-CB 3.35Å; T923-A947 HydrophobicContact CG2-CB 3.85Å
948	M	95.4	Very high	92.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.9	179.4	-55	-177.6	174.9	0	0	109.6	Y825 A845 V846 L848 F852 I1000	Y825-M948 HydrophobicContact CD1-SD 4.37Å; Y825-M948 HydrophobicContact CD2-CE 3.78Å; Y825-M948 HydrophobicContact CD2-CG 4.48Å; Y825-M948 HydrophobicContact CD2-SD 4.17Å; Y825-M948 HydrophobicContact CE1-CB 4.04Å; Y825-M948 HydrophobicContact CE1-CG 4.05Å; Y825-M948 HydrophobicContact CE1-SD 4.35Å; Y825-M948 HydrophobicContact CE2-CE 3.87Å; Y825-M948 HydrophobicContact CE2-CG 3.85Å; Y825-M948 HydrophobicContact CE2-SD 4.14Å; Y825-M948 HydrophobicContact CG-CE 4.36Å; Y825-M948 HydrophobicContact CG-SD 4.28Å; A845-M948 WeakPolarHBondContact CA-O 3.42Å; V846-M948 HydrophobicContact CG2-CB 4.22Å; V846-M948 PolarHBondContact N-O 2.91Å; V846-M948 PolarHBondContact O-N 2.91Å; L848-M948 HydrophobicContact CD1-CE 3.75Å; L848-M948 HydrophobicContact CD1-SD 3.61Å; L848-M948 HydrophobicContact CD2-SD 4.35Å; L848-M948 HydrophobicContact CG-CE 4.16Å; L848-M948 HydrophobicContact CG-SD 3.73Å; F852-M948 HydrophobicContact CE2-CE 4.05Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.43Å; M948-I1000 HydrophobicContact SD-CD1 3.61Å
949	D	95.6	Very high	92.3	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.08	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.8	170.1	-177.5	13	0	0	0	108.8	R951 T999 I1000	D949-R951 IonicContact OD1-CZ 3.38Å; D949-R951 IonicContact OD1-NE 2.71Å; D949-R951 PolarHBondContact OD1-NE 2.69Å; D949-R951 IonicContact OD1-NH2 3.25Å; D949-R951 IonicContact OD2-CZ 2.69Å; D949-R951 IonicContact OD2-NE 2.69Å; D949-R951 PolarHBondContact OD2-NE 2.86Å; D949-R951 IonicContact OD2-NH2 3.36Å; D949-R951 PolarHBondContact OD2-NH2 3.18Å; D949-T999 WeakPolarHBondContact O-CA 3.48Å; D949-I1000 PolarHBondContact O-N 3.22Å
950	L	97.2	Very high	92.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127	-179.2	-179.2	146.5	0	0	0	110.1	I831 F833 L844 V846 I1000 V1002 I1005	I831-L950 HydrophobicContact CD1-CD1 3.6Å; F833-L950 HydrophobicContact CD1-CD1 4.43Å; F833-L950 HydrophobicContact CE1-CD1 4.05Å; F833-L950 HydrophobicContact CZ-CD1 4.18Å; F833-L950 HydrophobicContact CZ-CD2 4.23Å; L844-L950 HydrophobicContact CD1-CD2 4.4Å; L844-L950 PolarHBondContact N-O 3.2Å; L844-L950 PolarHBondContact O-N 2.75Å; V846-L950 HydrophobicContact CB-CB 4.48Å; V846-L950 HydrophobicContact CG1-CB 3.98Å; V846-L950 HydrophobicContact CG1-CD2 4.49Å; V846-L950 HydrophobicContact CG2-CB 3.62Å; V846-L950 HydrophobicContact CG2-CD1 3.99Å; V846-L950 HydrophobicContact CG2-CG 4.4Å; L950-I1000 WeakPolarHBondContact CA-O 3.41Å; L950-I1000 HydrophobicContact CD1-CG2 4.23Å; L950-V1002 HydrophobicContact CD1-CG1 4.11Å; L950-V1002 HydrophobicContact CD2-CG2 3.94Å; L950-V1002 HydrophobicContact CG-CG1 4.35Å; L950-V1002 HydrophobicContact CG-CG2 4.41Å; L950-I1005 HydrophobicContact CD2-CD1 3.36Å; L950-I1005 HydrophobicContact CD2-CG1 4.02Å
951	R	96.6	Very high	91.9	Very high	50 Å²	50	29 Å²	29	19%	0.189	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.5	-170.3	-59.1	-169.6	-177.1	-139.2	1.2	113	A799 A842 A843 D949 L953 T999 I1000 F1001 V1002	A799-R951 VanDerWaalsContact CB-NH1 3.31Å; A842-R951 VanDerWaalsContact O-CA 3.26Å; A842-R951 WeakPolarHBondContact O-CA 3.34Å; A843-R951 HydrophobicContact CB-CG 3.99Å; D949-R951 IonicContact OD1-CZ 3.38Å; D949-R951 IonicContact OD1-NE 2.71Å; D949-R951 PolarHBondContact OD1-NE 2.69Å; D949-R951 IonicContact OD1-NH2 3.25Å; D949-R951 IonicContact OD2-CZ 2.69Å; D949-R951 IonicContact OD2-NE 2.69Å; D949-R951 PolarHBondContact OD2-NE 2.86Å; D949-R951 IonicContact OD2-NH2 3.36Å; D949-R951 PolarHBondContact OD2-NH2 3.18Å; R951-L953 PolarHBondContact O-N 3.44Å; R951-T999 HydrophobicContact CB-CG2 4.43Å; R951-T999 HydrophobicContact CG-CG2 3.86Å; R951-I1000 PolarHBondContact N-O 3.49Å; R951-F1001 HydrophobicContact CB-CD1 4.22Å; R951-F1001 HydrophobicContact CB-CE1 4.27Å; R951-V1002 WeakPolarHBondContact O-CG2 3.49Å; R951-V1002 PolarHBondContact O-N 3.39Å
952	I	96.9	Very high	92	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.5	170.8	-61.1	177.3	0	0	0	108.5	A842 G954 L955 V1002 I1005 L1013 L1014	A842-I952 PolarHBondContact O-N 3.02Å; I952-G954 PolarHBondContact O-N 2.73Å; I952-L955 HydrophobicContact CB-CB 4.11Å; I952-L955 HydrophobicContact CB-CD2 3.98Å; I952-L955 HydrophobicContact CD1-CD2 3.97Å; I952-L955 HydrophobicContact CG2-CB 3.74Å; I952-L955 HydrophobicContact CG2-CD2 3.8Å; I952-L955 HydrophobicContact CG2-CG 4.41Å; I952-L955 PolarHBondContact O-N 3.08Å; I952-V1002 WeakPolarHBondContact CA-O 3.47Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; I952-I1005 HydrophobicContact CD1-CD1 4.42Å; I952-I1005 HydrophobicContact CD1-CG1 4.45Å; I952-I1005 HydrophobicContact CG1-CD1 4.29Å; I952-I1005 HydrophobicContact CG1-CG1 4.33Å; I952-L1013 HydrophobicContact CD1-CD2 4.02Å; I952-L1013 HydrophobicContact CD1-CG 4.18Å; I952-L1014 HydrophobicContact CG2-CD1 4.2Å
953	L	95.6	Very high	91.9	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.126	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	127.8	-175.2	-178.1	69.4	0	0	0	111.9	R951 L955 F1001 V1002 Q1025 C1029 Q1030 L1033	R951-L953 PolarHBondContact O-N 3.44Å; L953-L955 PolarHBondContact O-N 3.27Å; L953-L955 VanDerWaalsContact O-N 3.09Å; L953-F1001 HydrophobicContact CD1-CB 4.44Å; L953-F1001 HydrophobicContact CD1-CD1 4.08Å; L953-F1001 HydrophobicContact CD1-CG 4.5Å; L953-V1002 WeakPolarHBondContact CB-O 3.46Å; L953-V1002 PolarHBondContact N-O 3.27Å; L953-Q1025 PolarHBondContact O-NE2 3.14Å; L953-C1029 HydrophobicContact CD1-CB 4.07Å; L953-C1029 HydrophobicContact CG-CB 4.36Å; L953-Q1030 HydrophobicContact CD1-CB 4.41Å; L953-Q1030 HydrophobicContact CD2-CB 4.14Å; L953-L1033 HydrophobicContact CD1-CD1 3.87Å
954	G	93.8	Very high	91.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-11.7	176.1	0	0	0	0	0	116.7	I952 Q956 Q1025 D1026 C1029	I952-G954 PolarHBondContact O-N 2.73Å; G954-Q956 PolarHBondContact O-N 2.89Å; G954-Q956 PolarHBondContact O-NE2 3.43Å; G954-Q1025 WeakPolarHBondContact O-CA 3.37Å; G954-D1026 PolarHBondContact O-N 2.71Å; G954-C1029 VanDerWaalsContact CA-CB 3.46Å; G954-C1029 PolarHBondContact N-SG 2.65Å
955	L	95.5	Very high	91.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	108.9	-174.1	-179.2	62.7	0	0	0	111.3	A842 I952 L953 W964 L1014 V1017 I1018	A842-L955 HydrophobicContact CB-CB 4.09Å; A842-L955 HydrophobicContact CB-CD2 3.92Å; A842-L955 HydrophobicContact CB-CG 3.97Å; A842-L955 VanDerWaalsContact CB-O 3.31Å; A842-L955 WeakPolarHBondContact CB-O 3.36Å; I952-L955 HydrophobicContact CB-CB 4.11Å; I952-L955 HydrophobicContact CB-CD2 3.98Å; I952-L955 HydrophobicContact CD1-CD2 3.97Å; I952-L955 HydrophobicContact CG2-CB 3.74Å; I952-L955 HydrophobicContact CG2-CD2 3.8Å; I952-L955 HydrophobicContact CG2-CG 4.41Å; I952-L955 PolarHBondContact O-N 3.08Å; L953-L955 PolarHBondContact O-N 3.27Å; L953-L955 VanDerWaalsContact O-N 3.09Å; L955-W964 HydrophobicContact CD1-CH2 4.39Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CH2 4.36Å; L955-W964 HydrophobicContact CG-CZ2 4.04Å; L955-L1014 HydrophobicContact CD1-CD1 3.9Å; L955-L1014 HydrophobicContact CD2-CD1 3.86Å; L955-L1014 HydrophobicContact CG-CD1 4.31Å; L955-V1017 HydrophobicContact CD1-CG1 4.47Å; L955-V1017 HydrophobicContact CD2-CG1 4.24Å; L955-I1018 HydrophobicContact CD1-CG1 4.45Å
956	Q	92	Very high	90.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.6	-177.2	73.7	-157.8	-97	0	0	111.4	F800 G954 S1023 H1024 D1026	F800-Q956 HydrophobicContact CE1-CB 3.84Å; F800-Q956 HydrophobicContact CZ-CB 4.1Å; G954-Q956 PolarHBondContact O-N 2.89Å; G954-Q956 PolarHBondContact O-NE2 3.43Å; Q956-S1023 CarbonylContact O-C 3.55Å; Q956-S1023 VanDerWaalsContact O-CA 3.3Å; Q956-S1023 WeakPolarHBondContact O-CA 3.49Å; Q956-H1024 PolarHBondContact N-O 3.26Å; Q956-H1024 PolarHBondContact O-N 3.06Å; Q956-H1024 VanDerWaalsContact O-O 3.11Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.3Å
957	P	89	Confident	89.5	Confident	7 Å²	7	29 Å²	29	5%	0.045	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	164.3	174.8	32.5	-31.4	0	0	0	110.4	S959 R962 W964	P957-S959 PolarHBondContact O-N 3.46Å; P957-R962 VanDerWaalsContact CG-C 3.48Å; P957-W964 HydrophobicContact CB-CD2 3.95Å; P957-W964 HydrophobicContact CB-CE3 4.04Å; P957-W964 HydrophobicContact CB-CG 4.41Å; P957-W964 HydrophobicContact CB-CZ3 4.4Å; P957-W964 HydrophobicContact CG-CD2 4.12Å; P957-W964 HydrophobicContact CG-CG 4.16Å
958	E	82.4	Confident	89	Confident	68 Å²	68	29 Å²	29	32%	0.318	15%	0.149	S	C	.	.	S	Bend	trans	-73.1	56.4	176.8	-68.4	-178.2	167	0	0	113.3	M761 R1022	M761-E958 HydrophobicContact CE-CB 3.86Å; M761-E958 HydrophobicContact CE-CG 4.24Å; E958-R1022 HydrophobicContact CB-CB 4.3Å; E958-R1022 HydrophobicContact CG-CB 4.1Å; E958-R1022 PolarHBondContact N-O 2.86Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.5Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.23Å
959	S	85.4	Confident	88.6	Confident	32 Å²	32	33 Å²	33	22%	0.224	17%	0.165	C	C	.	.	S	Bend	trans	-147.8	148.7	177.8	69.1	0	0	0	0	112.7	P957 D961 R962	P957-S959 PolarHBondContact O-N 3.46Å; S959-D961 VanDerWaalsContact C-N 3.34Å; S959-R962 WeakPolarHBondContact O-CG 3.45Å; S959-R962 PolarHBondContact O-N 3.11Å; S959-R962 PolarHBondContact OG-N 3.37Å
960	L	88.9	Confident	88.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.3	178	-60	-172.5	0	0	0	112.7	W754 C757 D758 M761 L772 Q796 L804 R962	W754-L960 HydrophobicContact CD2-CD1 3.97Å; W754-L960 VanDerWaalsContact CE2-CD1 3.49Å; W754-L960 HydrophobicContact CG-CD1 4.29Å; W754-L960 HydrophobicContact CH2-CD1 4.42Å; W754-L960 HydrophobicContact CZ2-CB 3.95Å; W754-L960 HydrophobicContact CZ2-CD1 3.75Å; W754-L960 HydrophobicContact CZ2-CG 4.45Å; C757-L960 HydrophobicContact CB-CD1 3.88Å; C757-L960 HydrophobicContact CB-CD2 4.28Å; D758-L960 HydrophobicContact CB-CD1 3.95Å; M761-L960 HydrophobicContact CG-CD2 4.07Å; L772-L960 HydrophobicContact CD2-CD2 3.62Å; Q796-L960 PolarHBondContact NE2-O 3.47Å; L804-L960 HydrophobicContact CB-CB 4.47Å; L804-L960 HydrophobicContact CD1-CD2 4.39Å; L960-R962 PolarHBondContact O-N 3.03Å
961	D	86.1	Confident	87.4	Confident	75 Å²	75	35.8 Å²	35.8	40%	0.401	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.2	173.9	-57.1	-53.2	0	0	0	112.4	Q796 S959 I963	Q796-D961 PolarHBondContact NE2-O 2.96Å; S959-D961 VanDerWaalsContact C-N 3.34Å; D961-I963 HydrophobicContact CB-CD1 4.08Å; D961-I963 HydrophobicContact CB-CG1 4.04Å; D961-I963 PolarHBondContact O-N 2.84Å
962	R	89.7	Confident	87.1	Confident	15 Å²	15	33.4 Å²	33.4	6%	0.057	17%	0.17	C	C	.	.			trans	58	23.9	-179.4	-60.4	-179.6	169.3	148.7	-25.6	114.7	Q796 F800 D802 P957 S959 L960	Q796-R962 VanDerWaalsContact OE1-NH1 3.1Å; F800-R962 VanDerWaalsContact CD2-CD 3.43Å; F800-R962 HydrophobicContact CE2-CB 4.16Å; F800-R962 VanDerWaalsContact CE2-CD 3.43Å; F800-R962 HydrophobicContact CE2-CG 4.44Å; D802-R962 PolarHBondContact O-NH1 3.17Å; D802-R962 IonicContact OD1-CZ 2.71Å; D802-R962 IonicContact OD1-NH1 2.66Å; D802-R962 PolarHBondContact OD1-NH1 2.87Å; D802-R962 IonicContact OD1-NH2 2.63Å; D802-R962 PolarHBondContact OD1-NH2 3.07Å; D802-R962 IonicContact OD2-NH2 3.93Å; D802-R962 PolarHBondContact OD2-NH2 3.2Å; P957-R962 VanDerWaalsContact CG-C 3.48Å; S959-R962 WeakPolarHBondContact O-CG 3.45Å; S959-R962 PolarHBondContact O-N 3.11Å; S959-R962 PolarHBondContact OG-N 3.37Å; L960-R962 PolarHBondContact O-N 3.03Å
963	I	86.7	Confident	86.6	Confident	129 Å²	129	38 Å²	38	66%	0.662	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-84.3	125.6	177.3	-56.9	175.7	0	0	0	109.1	D961	D961-I963 HydrophobicContact CB-CD1 4.08Å; D961-I963 HydrophobicContact CB-CG1 4.04Å; D961-I963 PolarHBondContact O-N 2.84Å
964	W	86.8	Confident	86.1	Confident	29 Å²	29	42.8 Å²	42.8	11%	0.11	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-80.9	143.2	171.7	-70.1	93.3	0	0	0	110.9	P841 A842 L955 P957 V1017 F1021 S1023	P841-W964 HydrophobicContact CB-CD2 4.16Å; P841-W964 HydrophobicContact CB-CE3 3.99Å; P841-W964 HydrophobicContact CB-CH2 4.01Å; P841-W964 HydrophobicContact CB-CZ2 4.21Å; P841-W964 HydrophobicContact CB-CZ3 3.91Å; P841-W964 HydrophobicContact CG-CD2 3.9Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.41Å; P841-W964 HydrophobicContact CG-CZ3 3.93Å; A842-W964 HydrophobicContact CB-CZ2 4.08Å; L955-W964 HydrophobicContact CD1-CH2 4.39Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CH2 4.36Å; L955-W964 HydrophobicContact CG-CZ2 4.04Å; P957-W964 HydrophobicContact CB-CD2 3.95Å; P957-W964 HydrophobicContact CB-CE3 4.04Å; P957-W964 HydrophobicContact CB-CG 4.41Å; P957-W964 HydrophobicContact CB-CZ3 4.4Å; P957-W964 HydrophobicContact CG-CD2 4.12Å; P957-W964 HydrophobicContact CG-CG 4.16Å; W964-V1017 HydrophobicContact CH2-CG1 3.72Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; W964-F1021 HydrophobicContact CZ3-CB 4.15Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å
965	P	79.3	Confident	85.6	Confident	45 Å²	45	46.3 Å²	46.3	29%	0.292	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-74.1	154.3	176.5	32.3	-35.2	0	0	0	112	R544 D967 A968 R969	R544-P965 WeakPolarHBondContact O-CB 2.98Å; P965-D967 VanDerWaalsContact C-N 3.31Å; P965-D967 WeakPolarHBondContact CB-OD1 3.49Å; P965-D967 WeakPolarHBondContact CG-OD1 3.49Å; P965-D967 PolarHBondContact O-N 2.84Å; P965-A968 HydrophobicContact CG-CB 3.92Å; P965-A968 PolarHBondContact O-N 2.97Å; P965-R969 PolarHBondContact O-N 3.26Å
966	D	78.2	Confident	85.2	Confident	93 Å²	93	46.3 Å²	46.3	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-31.2	-175.9	-93.3	-49.5	0	0	0	114.1	R969 N970	D966-R969 IonicContact OD1-CZ 2.72Å; D966-R969 IonicContact OD1-NE 2.72Å; D966-R969 PolarHBondContact OD1-NE 2.96Å; D966-R969 IonicContact OD1-NH2 3.7Å; D966-R969 PolarHBondContact OD1-NH2 2.88Å; D966-N970 VanDerWaalsContact O-CB 3.27Å; D966-N970 WeakPolarHBondContact O-CB 3.4Å; D966-N970 PolarHBondContact O-N 3.48Å; D966-N970 PolarHBondContact O-ND2 3.39Å
967	D	73.6	Confident	84.9	Confident	20 Å²	20	47.2 Å²	47.2	11%	0.107	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-40.5	176.7	82.2	-63.2	0	0	0	110.9	P547 N548 P965 N970 L971	P547-D967 VanDerWaalsContact CD-CG 3.42Å; P547-D967 VanDerWaalsContact CD-OD2 3.27Å; P547-D967 WeakPolarHBondContact CD-OD2 3.49Å; P547-D967 WeakPolarHBondContact CG-OD2 3.28Å; N548-D967 PolarHBondContact ND2-OD2 2.78Å; P965-D967 VanDerWaalsContact C-N 3.31Å; P965-D967 WeakPolarHBondContact CB-OD1 3.49Å; P965-D967 WeakPolarHBondContact CG-OD1 3.49Å; P965-D967 PolarHBondContact O-N 2.84Å; D967-N970 CarbonylContact O-C 3.6Å; D967-N970 PolarHBondContact O-N 3.33Å; D967-N970 VanDerWaalsContact O-N 3.17Å; D967-L971 VanDerWaalsContact O-CB 3.23Å; D967-L971 WeakPolarHBondContact O-CB 3.47Å; D967-L971 PolarHBondContact O-N 2.72Å
968	A	83.6	Confident	84.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-44.3	178.9	0	0	0	0	0	111.4	P841 P965 N970 L971 V972 F1021	P841-A968 HydrophobicContact CG-CB 3.89Å; P965-A968 HydrophobicContact CG-CB 3.92Å; P965-A968 PolarHBondContact O-N 2.97Å; A968-N970 VanDerWaalsContact C-N 3.34Å; A968-N970 PolarHBondContact O-N 3.24Å; A968-L971 PolarHBondContact O-N 2.9Å; A968-V972 WeakPolarHBondContact O-CB 3.38Å; A968-V972 WeakPolarHBondContact O-CG2 3.42Å; A968-V972 PolarHBondContact O-N 2.81Å; A968-F1021 VanDerWaalsContact CA-CE1 3.44Å; A968-F1021 HydrophobicContact CB-CD1 3.55Å; A968-F1021 HydrophobicContact CB-CD2 4.38Å; A968-F1021 HydrophobicContact CB-CE1 3.37Å; A968-F1021 HydrophobicContact CB-CE2 4.23Å; A968-F1021 HydrophobicContact CB-CG 4.06Å; A968-F1021 HydrophobicContact CB-CZ 3.73Å
969	R	88.1	Confident	83.1	Confident	86 Å²	86	56.7 Å²	56.7	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-56	-47.4	169.5	177.8	174.5	78.1	139.6	-8.5	111.5	C838 Y839 P965 D966 R973	C838-R969 WeakPolarHBondContact O-CG 3.2Å; Y839-R969 WeakPolarHBondContact O-CD 3.43Å; P965-R969 PolarHBondContact O-N 3.26Å; D966-R969 IonicContact OD1-CZ 2.72Å; D966-R969 IonicContact OD1-NE 2.72Å; D966-R969 PolarHBondContact OD1-NE 2.96Å; D966-R969 IonicContact OD1-NH2 3.7Å; D966-R969 PolarHBondContact OD1-NH2 2.88Å; R969-R973 WeakPolarHBondContact O-CB 3.45Å; R969-R973 PolarHBondContact O-N 2.78Å
970	N	83.6	Confident	81.4	Confident	43 Å²	43	57.5 Å²	57.5	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-69.6	-36.1	-178.5	-84.9	-65.6	0	0	0	113.6	D966 D967 A968 R973 K974	D966-N970 VanDerWaalsContact O-CB 3.27Å; D966-N970 WeakPolarHBondContact O-CB 3.4Å; D966-N970 PolarHBondContact O-N 3.48Å; D966-N970 PolarHBondContact O-ND2 3.39Å; D967-N970 CarbonylContact O-C 3.6Å; D967-N970 PolarHBondContact O-N 3.33Å; D967-N970 VanDerWaalsContact O-N 3.17Å; A968-N970 VanDerWaalsContact C-N 3.34Å; A968-N970 PolarHBondContact O-N 3.24Å; N970-R973 PolarHBondContact O-N 2.95Å; N970-R973 PolarHBondContact OD1-NH2 3.05Å; N970-K974 WeakPolarHBondContact O-CB 3.27Å; N970-K974 WeakPolarHBondContact O-CG 3.49Å; N970-K974 PolarHBondContact O-N 3.13Å
971	L	83.5	Confident	79.4	Confident	29 Å²	29	66 Å²	66	15%	0.152	31%	0.305	C	S	.	.	H	α-helix	trans	-74.2	-42.4	179.4	-169.7	156	0	0	0	110.2	D967 A968 R973 K974 D975 F1016 F1021	D967-L971 VanDerWaalsContact O-CB 3.23Å; D967-L971 WeakPolarHBondContact O-CB 3.47Å; D967-L971 PolarHBondContact O-N 2.72Å; A968-L971 PolarHBondContact O-N 2.9Å; L971-R973 VanDerWaalsContact C-N 3.31Å; L971-R973 PolarHBondContact O-N 2.85Å; L971-K974 PolarHBondContact O-N 2.86Å; L971-D975 HydrophobicContact CD2-CB 4.02Å; L971-D975 HydrophobicContact CG-CB 4.33Å; L971-D975 WeakPolarHBondContact O-CA 3.34Å; L971-D975 VanDerWaalsContact O-CB 3.28Å; L971-D975 WeakPolarHBondContact O-CB 3.32Å; L971-D975 PolarHBondContact O-N 3Å; L971-F1016 HydrophobicContact CD2-CE1 3.86Å; L971-F1016 HydrophobicContact CD2-CZ 3.5Å; L971-F1021 HydrophobicContact CB-CZ 4.11Å; L971-F1021 HydrophobicContact CD1-CZ 4.4Å; L971-F1021 HydrophobicContact CD2-CE2 4.45Å; L971-F1021 HydrophobicContact CD2-CZ 3.85Å; L971-F1021 HydrophobicContact CG-CZ 4.34Å
972	V	89.3	Confident	77.5	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-58.6	-44.3	168.7	169.6	0	0	0	0	110.9	P841 A968 K974 F976 F977 L1013 F1016 V1017 F1021	P841-V972 HydrophobicContact CB-CG2 4.04Å; P841-V972 HydrophobicContact CG-CG2 4Å; A968-V972 WeakPolarHBondContact O-CB 3.38Å; A968-V972 WeakPolarHBondContact O-CG2 3.42Å; A968-V972 PolarHBondContact O-N 2.81Å; V972-K974 VanDerWaalsContact C-N 3.35Å; V972-K974 PolarHBondContact O-N 3.39Å; V972-F976 HydrophobicContact CG1-CB 4.46Å; V972-F976 WeakPolarHBondContact O-CB 3.39Å; V972-F976 PolarHBondContact O-N 2.8Å; V972-F976 VanDerWaalsContact O-N 3.11Å; V972-F977 HydrophobicContact CG1-CD2 3.86Å; V972-F977 HydrophobicContact CG1-CE2 3.45Å; V972-F977 VanDerWaalsContact CG1-CE2 3.45Å; V972-F977 HydrophobicContact CG1-CZ 4.2Å; V972-F977 PolarHBondContact O-N 2.87Å; V972-L1013 HydrophobicContact CG1-CD1 3.83Å; V972-L1013 HydrophobicContact CG2-CD1 4.43Å; V972-F1016 HydrophobicContact CG2-CD1 4.27Å; V972-F1016 HydrophobicContact CG2-CE1 3.9Å; V972-V1017 HydrophobicContact CG2-CG2 3.94Å; V972-F1021 HydrophobicContact CG2-CE2 4.03Å
973	R	88.2	Confident	75.9	Confident	103 Å²	103	74.7 Å²	74.7	39%	0.389	35%	0.347	S	S	.	.	I	π-helix	trans	-62.7	-34	178	-174.2	171.8	69.2	144.3	-2.3	114.1	C838 R969 N970 L971 R978	C838-R973 HydrophobicContact CB-CB 4.45Å; R969-R973 WeakPolarHBondContact O-CB 3.45Å; R969-R973 PolarHBondContact O-N 2.78Å; N970-R973 PolarHBondContact O-N 2.95Å; N970-R973 PolarHBondContact OD1-NH2 3.05Å; L971-R973 VanDerWaalsContact C-N 3.31Å; L971-R973 PolarHBondContact O-N 2.85Å; R973-R978 WeakPolarHBondContact O-CD 3.19Å; R973-R978 VanDerWaalsContact O-CG 3.24Å; R973-R978 WeakPolarHBondContact O-CG 3.43Å
974	K	83.4	Confident	74.5	Confident	123 Å²	123	77.4 Å²	77.4	54%	0.535	35%	0.349	S	S	.	.	I	π-helix	trans	-89.2	-58.1	178.1	-72.1	176	179.1	-176.9	0	111.8	N970 L971 V972 R978 R979	N970-K974 WeakPolarHBondContact O-CB 3.27Å; N970-K974 WeakPolarHBondContact O-CG 3.49Å; N970-K974 PolarHBondContact O-N 3.13Å; L971-K974 PolarHBondContact O-N 2.86Å; V972-K974 VanDerWaalsContact C-N 3.35Å; V972-K974 PolarHBondContact O-N 3.39Å; K974-R978 CarbonylContact O-C 3.48Å; K974-R978 WeakPolarHBondContact O-CA 3.26Å; K974-R978 WeakPolarHBondContact O-CB 3.36Å; K974-R978 PolarHBondContact O-N 2.86Å; K974-R979 PolarHBondContact O-N 2.92Å
975	D	83.4	Confident	73.4	Confident	75 Å²	75	80.8 Å²	80.8	40%	0.401	37%	0.369	S	S	.	.	I	π-helix	trans	-92.7	-7.7	-162.9	-58.2	17.6	0	0	0	113	L971 R979 F1016	L971-D975 HydrophobicContact CD2-CB 4.02Å; L971-D975 HydrophobicContact CG-CB 4.33Å; L971-D975 WeakPolarHBondContact O-CA 3.34Å; L971-D975 VanDerWaalsContact O-CB 3.28Å; L971-D975 WeakPolarHBondContact O-CB 3.32Å; L971-D975 PolarHBondContact O-N 3Å; D975-R979 WeakPolarHBondContact O-CD 3.41Å; D975-R979 WeakPolarHBondContact O-CG 3.31Å; D975-R979 PolarHBondContact O-NE 2.86Å; D975-R979 PolarHBondContact O-NH1 2.91Å; D975-F1016 HydrophobicContact CB-CE2 4.45Å; D975-F1016 HydrophobicContact CB-CZ 3.94Å
976	F	87.5	Confident	73.5	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	36%	0.358	C	S	.	.	I	π-helix	trans	-110.8	-60	165.4	-167.6	-86.7	0	0	0	111.4	V972 R979 R986 F988 N1011 L1013 F1016	V972-F976 HydrophobicContact CG1-CB 4.46Å; V972-F976 WeakPolarHBondContact O-CB 3.39Å; V972-F976 PolarHBondContact O-N 2.8Å; V972-F976 VanDerWaalsContact O-N 3.11Å; F976-R979 WeakPolarHBondContact O-CB 3.45Å; F976-R986 PolarHBondContact O-NH1 3.23Å; F976-F988 HydrophobicContact CD1-CE1 4.45Å; F976-F988 HydrophobicContact CE1-CD1 4.25Å; F976-F988 HydrophobicContact CE1-CE1 4.03Å; F976-N1011 HydrophobicContact CE2-CB 3.97Å; F976-N1011 HydrophobicContact CZ-CB 4.35Å; F976-N1011 WeakPolarHBondContact CZ-O 3.39Å; F976-L1013 HydrophobicContact CB-CD1 4.19Å; F976-L1013 HydrophobicContact CD1-CB 4.42Å; F976-L1013 HydrophobicContact CD1-CD1 3.83Å; F976-L1013 HydrophobicContact CD2-CD1 3.96Å; F976-L1013 HydrophobicContact CE1-CB 3.9Å; F976-L1013 HydrophobicContact CE1-CD1 4.2Å; F976-L1013 HydrophobicContact CE1-CG 4.44Å; F976-L1013 HydrophobicContact CE2-CB 4Å; F976-L1013 HydrophobicContact CE2-CD1 4.32Å; F976-L1013 HydrophobicContact CG-CD1 3.71Å; F976-L1013 HydrophobicContact CZ-CB 3.68Å; F976-L1013 HydrophobicContact CZ-CD1 4.44Å; F976-F1016 HydrophobicContact CB-CD1 4.08Å; F976-F1016 HydrophobicContact CB-CE1 3.93Å; F976-F1016 HydrophobicContact CB-CG 4.48Å; F976-F1016 HydrophobicContact CB-CZ 4.17Å; F976-F1016 HydrophobicContact CD2-CB 3.88Å; F976-F1016 HydrophobicContact CD2-CD1 4.07Å; F976-F1016 HydrophobicContact CD2-CD2 4.1Å; F976-F1016 AromaticContact CD2-CG 3.75Å; F976-F1016 HydrophobicContact CD2-CG 3.75Å; F976-F1016 HydrophobicContact CE2-CB 4.22Å; F976-F1016 HydrophobicContact CG-CD1 4.43Å
977	F	86.1	Confident	73.9	Confident	19 Å²	19	78.3 Å²	78.3	8%	0.083	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-34.9	-173.5	-65	-52.6	0	0	0	113.8	V835 C838 L844 V972 R986 F988 L1013	V835-F977 HydrophobicContact CG1-CD2 4.49Å; V835-F977 HydrophobicContact CG1-CE2 4.46Å; V835-F977 HydrophobicContact CG2-CD1 4.02Å; V835-F977 HydrophobicContact CG2-CE1 3.78Å; V835-F977 HydrophobicContact CG2-CZ 4.26Å; C838-F977 HydrophobicContact CB-CD2 4.19Å; C838-F977 HydrophobicContact CB-CE2 4.07Å; L844-F977 HydrophobicContact CD1-CE1 4.35Å; L844-F977 HydrophobicContact CD1-CE2 4.38Å; L844-F977 HydrophobicContact CD1-CZ 3.66Å; L844-F977 HydrophobicContact CD2-CE2 3.65Å; L844-F977 HydrophobicContact CD2-CZ 3.76Å; L844-F977 HydrophobicContact CG-CZ 4.4Å; V972-F977 HydrophobicContact CG1-CD2 3.86Å; V972-F977 HydrophobicContact CG1-CE2 3.45Å; V972-F977 VanDerWaalsContact CG1-CE2 3.45Å; V972-F977 HydrophobicContact CG1-CZ 4.2Å; V972-F977 PolarHBondContact O-N 2.87Å; F977-R986 PolarHBondContact O-NH1 2.87Å; F977-F988 HydrophobicContact CB-CZ 4.5Å; F977-F988 HydrophobicContact CD1-CD1 4.21Å; F977-F988 AromaticContact CD1-CE1 3.65Å; F977-F988 HydrophobicContact CD1-CE1 3.65Å; F977-F988 HydrophobicContact CD1-CE2 4.19Å; F977-F988 AromaticContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CE1-CD1 4.26Å; F977-F988 HydrophobicContact CE1-CE1 4.13Å; F977-F988 HydrophobicContact CE1-CZ 4.46Å; F977-L1013 HydrophobicContact CE1-CD2 4.25Å; F977-L1013 HydrophobicContact CZ-CD2 3.69Å
978	R	75.4	Confident	74.9	Confident	176 Å²	176	77.7 Å²	77.7	66%	0.664	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	20.8	-179.6	-61.7	171.2	177.5	-157	-2.8	114	R973 K974 T980	R973-R978 WeakPolarHBondContact O-CD 3.19Å; R973-R978 VanDerWaalsContact O-CG 3.24Å; R973-R978 WeakPolarHBondContact O-CG 3.43Å; K974-R978 CarbonylContact O-C 3.48Å; K974-R978 WeakPolarHBondContact O-CA 3.26Å; K974-R978 WeakPolarHBondContact O-CB 3.36Å; K974-R978 PolarHBondContact O-N 2.86Å; R978-T980 VanDerWaalsContact C-N 3.31Å; R978-T980 PolarHBondContact O-N 2.86Å; R978-T980 VanDerWaalsContact O-N 3.12Å
979	R	57.5	Low	75.5	Confident	97 Å²	97	80.5 Å²	80.5	37%	0.366	36%	0.36	S	S	.	.			trans	-62.5	-20.5	-162.2	-162.8	175.8	-153.5	145.4	6.3	117.2	K974 D975 F976	K974-R979 PolarHBondContact O-N 2.92Å; D975-R979 WeakPolarHBondContact O-CD 3.41Å; D975-R979 WeakPolarHBondContact O-CG 3.31Å; D975-R979 PolarHBondContact O-NE 2.86Å; D975-R979 PolarHBondContact O-NH1 2.91Å; F976-R979 WeakPolarHBondContact O-CB 3.45Å
980	T	50.4	Low	75.9	Confident	49 Å²	49	76.4 Å²	76.4	30%	0.301	34%	0.344	S	S	.	.	S	Bend	trans	-135.4	154.3	-169.8	50.5	0	0	0	0	114	R978 N982	R978-T980 VanDerWaalsContact C-N 3.31Å; R978-T980 PolarHBondContact O-N 2.86Å; R978-T980 VanDerWaalsContact O-N 3.12Å; T980-N982 PolarHBondContact O-N 2.82Å
981	H	46.2	Very low	76.6	Confident	181 Å²	181	77.9 Å²	77.9	84%	0.838	35%	0.354	S	S	*	.	S	Bend	trans	-51	116.4	-171.4	-59.9	-91.6	0	0	0	114.2	K983	H981-K983 PolarHBondContact O-N 2.92Å
982	N	47.2	Very low	77.2	Confident	157 Å²	157	76.8 Å²	76.8	84%	0.84	35%	0.349	S	S	*	.	S	Bend	trans	50	10.2	158.2	-73.3	-15.5	0	0	0	119.5	T980 R984	T980-N982 PolarHBondContact O-N 2.82Å; N982-R984 VanDerWaalsContact C-N 3.27Å; N982-R984 PolarHBondContact O-N 3.43Å
983	K	55.8	Low	77.5	Confident	114 Å²	114	79.9 Å²	79.9	50%	0.496	36%	0.364	S	S	.	.			trans	-65.2	84.8	167.8	-73.1	-176.1	-179.1	176.7	0	109.4	H981 N985 R986 E1009	H981-K983 PolarHBondContact O-N 2.92Å; K983-N985 PolarHBondContact O-N 3.48Å; K983-N985 VanDerWaalsContact O-N 3.14Å; K983-R986 HydrophobicContact CB-CG 3.85Å; K983-R986 WeakPolarHBondContact O-CG 3.4Å; K983-E1009 IonicContact NZ-OE1 3.88Å; K983-E1009 PolarHBondContact NZ-OE1 2.73Å
984	R	58.4	Low	77.8	Confident	186 Å²	186	75.8 Å²	75.8	70%	0.702	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.6	-175.8	-70.6	-178.9	175.6	176.9	-2.6	112.6	R857 N982	R857-R984 PolarHBondContact NH2-O 3.49Å; N982-R984 VanDerWaalsContact C-N 3.27Å; N982-R984 PolarHBondContact O-N 3.43Å
985	N	63.6	Low	78.3	Confident	101 Å²	101	70.7 Å²	70.7	54%	0.54	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	66.7	179.6	-62.8	-5	0	0	0	111.4	R857 K983	R857-N985 PolarHBondContact NE-OD1 3.13Å; R857-N985 PolarHBondContact NH2-OD1 3.27Å; K983-N985 PolarHBondContact O-N 3.48Å; K983-N985 VanDerWaalsContact O-N 3.14Å
986	R	80.4	Confident	78.7	Confident	14 Å²	14	67.9 Å²	67.9	5%	0.053	32%	0.316	C	S	.	.			trans	-70.5	134.6	165.3	-60.8	-173.2	78.5	-148.1	6.1	109.3	L834 F976 F977 K983 F988 D1007	L834-R986 WeakPolarHBondContact CD1-O 3.47Å; F976-R986 PolarHBondContact O-NH1 3.23Å; F977-R986 PolarHBondContact O-NH1 2.87Å; K983-R986 HydrophobicContact CB-CG 3.85Å; K983-R986 WeakPolarHBondContact O-CG 3.4Å; R986-F988 HydrophobicContact CB-CE2 4.02Å; R986-F988 HydrophobicContact CB-CZ 4.05Å; R986-D1007 IonicContact CZ-OD2 2.8Å; R986-D1007 IonicContact NH1-OD2 2.68Å; R986-D1007 VanDerWaalsContact NH2-CG 3.33Å; R986-D1007 IonicContact NH2-OD2 3.16Å; R986-D1007 PolarHBondContact NH2-OD2 3.25Å
987	Q	87.1	Confident	78.7	Confident	72 Å²	72	70.4 Å²	70.4	34%	0.336	33%	0.328	S	S	.	.			trans	-101.2	162	168.7	-67.6	-169.4	-3.4	0	0	110.2	D1008	Q987-D1008 WeakPolarHBondContact CB-OD1 3.44Å; Q987-D1008 PolarHBondContact N-OD2 3.18Å
988	F	94.3	Very high	78.8	Confident	7 Å²	7	72.7 Å²	72.7	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.3	176.7	-59	-87.3	0	0	0	108	R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007	R832-F988 WeakPolarHBondContact CA-O 3.46Å; F833-F988 WeakPolarHBondContact CD1-O 3.21Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.45Å; F833-F988 HydrophobicContact CE2-CB 3.65Å; F833-F988 HydrophobicContact CZ-CB 3.88Å; F833-F988 PolarHBondContact N-O 3.32Å; F833-F988 PolarHBondContact O-N 3.07Å; V835-F988 HydrophobicContact CG2-CD2 3.8Å; V835-F988 HydrophobicContact CG2-CE2 4.18Å; V835-F988 HydrophobicContact CG2-CG 4.27Å; F976-F988 HydrophobicContact CD1-CE1 4.45Å; F976-F988 HydrophobicContact CE1-CD1 4.25Å; F976-F988 HydrophobicContact CE1-CE1 4.03Å; F977-F988 HydrophobicContact CB-CZ 4.5Å; F977-F988 HydrophobicContact CD1-CD1 4.21Å; F977-F988 AromaticContact CD1-CE1 3.65Å; F977-F988 HydrophobicContact CD1-CE1 3.65Å; F977-F988 HydrophobicContact CD1-CE2 4.19Å; F977-F988 AromaticContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CE1-CD1 4.26Å; F977-F988 HydrophobicContact CE1-CE1 4.13Å; F977-F988 HydrophobicContact CE1-CZ 4.46Å; R986-F988 HydrophobicContact CB-CE2 4.02Å; R986-F988 HydrophobicContact CB-CZ 4.05Å; F988-I1005 HydrophobicContact CB-CG2 4.11Å; F988-Y1006 CarbonylContact C-O 3.51Å; F988-Y1006 VanDerWaalsContact CA-O 3.27Å; F988-Y1006 WeakPolarHBondContact CA-O 3.47Å; F988-D1007 HydrophobicContact CD1-CB 3.66Å; F988-D1007 HydrophobicContact CE1-CB 3.57Å
989	H	96	Very high	79.7	Confident	59 Å²	59	64.9 Å²	64.9	27%	0.273	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.1	-179.2	63.3	-85	0	0	0	112.1	L830 I831 R832 Y1006 D1007	L830-H989 HydrophobicContact CD1-CB 4.33Å; I831-H989 WeakPolarHBondContact O-CA 3.14Å; I831-H989 WeakPolarHBondContact O-CB 3.22Å; R832-H989 HydrophobicContact CG-CB 4.37Å; H989-Y1006 PolarHBondContact N-O 2.8Å; H989-Y1006 PolarHBondContact O-N 2.91Å; H989-D1007 PolarHBondContact CE1-O 3.3Å
990	A	97.5	Very high	81.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159.5	-178.4	0	0	0	0	0	110.8	I831 F833 V1002 N1004 I1005	I831-A990 HydrophobicContact CG1-CB 4.35Å; I831-A990 VanDerWaalsContact CG1-O 3.31Å; I831-A990 WeakPolarHBondContact CG1-O 3.36Å; I831-A990 PolarHBondContact N-O 2.88Å; I831-A990 PolarHBondContact O-N 3.12Å; I831-A990 VanDerWaalsContact O-N 3.15Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.34Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.68Å; A990-V1002 HydrophobicContact CB-CG2 4.18Å; A990-N1004 VanDerWaalsContact CB-O 3.27Å; A990-N1004 WeakPolarHBondContact CB-O 3.33Å; A990-I1005 HydrophobicContact CB-CG1 4.41Å
991	V	97.2	Very high	83.8	Confident	73 Å²	73	58 Å²	58	44%	0.442	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.3	174.8	-177.2	0	0	0	0	109.3	G829 L830 Q993	G829-V991 CarbonylContact O-C 3.52Å; G829-V991 WeakPolarHBondContact O-CA 3.25Å; L830-V991 HydrophobicContact CD1-CG2 4.01Å; V991-Q993 PolarHBondContact O-N 2.94Å; V991-Q993 PolarHBondContact O-NE2 3.02Å
992	V	97.1	Very high	86.2	Confident	6 Å²	6	49.4 Å²	49.4	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	128.8	177.2	-179.3	0	0	0	0	109.7	P826 G829 I831 I1000	P826-V992 HydrophobicContact CB-CG2 4.35Å; P826-V992 HydrophobicContact CG-CG2 4.26Å; G829-V992 PolarHBondContact O-N 2.79Å; I831-V992 HydrophobicContact CD1-CG2 3.85Å; I831-V992 HydrophobicContact CG1-CG2 4Å; I831-V992 HydrophobicContact CG2-CG2 3.81Å; V992-I1000 HydrophobicContact CB-CG2 4.44Å; V992-I1000 HydrophobicContact CG1-CG2 4.03Å; V992-I1000 HydrophobicContact CG2-CG2 3.75Å
993	Q	95.1	Very high	88.5	Confident	66 Å²	66	49.8 Å²	49.8	31%	0.308	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-45.4	172.8	-59	-56.1	-84.5	0	0	110.9	V991 F1001 R1003	V991-Q993 PolarHBondContact O-N 2.94Å; V991-Q993 PolarHBondContact O-NE2 3.02Å; Q993-F1001 PolarHBondContact N-O 2.85Å; Q993-R1003 HydrophobicContact CG-CG 3.69Å
994	S	93.3	Very high	90.4	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	155.5	-179.7	53.7	0	0	0	0	109.1	F1001 Q1030	S994-F1001 PolarHBondContact O-N 3.38Å; S994-Q1030 PolarHBondContact OG-NE2 2.89Å; S994-Q1030 PolarHBondContact OG-OE1 3.36Å
995	A	94.2	Very high	92.2	Very high	15 Å²	15	36 Å²	36	12%	0.124	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.2	167.9	0	0	0	0	0	107.3	P821 T999	P821-A995 HydrophobicContact CB-CB 3.9Å; P821-A995 HydrophobicContact CG-CB 3.91Å; P821-A995 WeakPolarHBondContact CG-O 3.3Å; A995-T999 WeakPolarHBondContact CA-O 3.49Å
996	I	92.1	Very high	93.8	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.082	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.3	-172.7	-60.8	169.9	0	0	0	106.3	M814 R998 T999 F1001 L1033 M1036 V1037	M814-I996 HydrophobicContact CE-CG2 3.62Å; M814-I996 HydrophobicContact SD-CG2 4.14Å; I996-R998 PolarHBondContact O-N 3.47Å; I996-T999 PolarHBondContact N-O 2.98Å; I996-T999 WeakPolarHBondContact O-CB 3.49Å; I996-T999 PolarHBondContact O-N 3.41Å; I996-T999 VanDerWaalsContact O-N 3.09Å; I996-F1001 HydrophobicContact CB-CE2 4.21Å; I996-F1001 HydrophobicContact CD1-CE2 4.37Å; I996-L1033 HydrophobicContact CD1-CB 3.89Å; I996-M1036 HydrophobicContact CG2-CE 4.14Å; I996-V1037 HydrophobicContact CD1-CG2 4.17Å; I996-V1037 HydrophobicContact CG1-CG2 4.37Å; I996-V1037 HydrophobicContact CG2-CG2 3.78Å
997	H	87.3	Confident	94.2	Very high	53 Å²	53	34.4 Å²	34.4	25%	0.245	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	-135.1	-169.6	-162.8	60.6	0	0	0	112.1	M814 E818 V819 P821 P822 T999	M814-H997 HydrophobicContact CE-CB 3.74Å; E818-H997 WeakPolarHBondContact CA-ND1 3.44Å; E818-H997 WeakPolarHBondContact O-CA 3.42Å; E818-H997 WeakPolarHBondContact O-CB 3.3Å; E818-H997 PolarHBondContact O-ND1 3.34Å; V819-H997 PolarHBondContact O-N 2.85Å; P821-H997 VanDerWaalsContact CA-O 3.26Å; P821-H997 WeakPolarHBondContact CA-O 3.11Å; P821-H997 WeakPolarHBondContact CB-O 3.29Å; P822-H997 WeakPolarHBondContact CD-O 3.29Å; H997-T999 PolarHBondContact O-N 3.41Å
998	R	87.9	Confident	94.1	Very high	67 Å²	67	35.1 Å²	35.1	25%	0.253	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	17.5	179.1	-60.1	171.6	-173.2	-160.5	-0.2	113.1	Y825 H904 I996	Y825-R998 WeakPolarHBondContact CE1-O 3.29Å; Y825-R998 PolarHBondContact OH-O 2.7Å; H904-R998 PolarHBondContact NE2-NH2 3.07Å; I996-R998 PolarHBondContact O-N 3.47Å
999	T	94.4	Very high	93.7	Very high	13 Å²	13	39.1 Å²	39.1	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.8	-171.1	-48.7	0	0	0	0	112.5	D949 R951 A995 I996 H997 F1001	D949-T999 WeakPolarHBondContact O-CA 3.48Å; R951-T999 HydrophobicContact CB-CG2 4.43Å; R951-T999 HydrophobicContact CG-CG2 3.86Å; A995-T999 WeakPolarHBondContact CA-O 3.49Å; I996-T999 PolarHBondContact N-O 2.98Å; I996-T999 WeakPolarHBondContact O-CB 3.49Å; I996-T999 PolarHBondContact O-N 3.41Å; I996-T999 VanDerWaalsContact O-N 3.09Å; H997-T999 PolarHBondContact O-N 3.41Å; T999-F1001 HydrophobicContact CG2-CD2 4.22Å; T999-F1001 HydrophobicContact CG2-CE1 4.21Å; T999-F1001 HydrophobicContact CG2-CE2 3.64Å; T999-F1001 HydrophobicContact CG2-CZ 3.64Å
1000	I	96.8	Very high	93.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.3	174.7	-58.5	172.4	0	0	0	109.1	Y825 P826 I831 M948 D949 L950 R951 V992 V1002	Y825-I1000 HydrophobicContact CD1-CD1 3.96Å; Y825-I1000 HydrophobicContact CD1-CG1 3.7Å; Y825-I1000 HydrophobicContact CE1-CD1 4.33Å; Y825-I1000 HydrophobicContact CE1-CG1 4.1Å; P826-I1000 HydrophobicContact CG-CD1 3.94Å; I831-I1000 HydrophobicContact CD1-CG2 4.41Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.43Å; M948-I1000 HydrophobicContact SD-CD1 3.61Å; D949-I1000 PolarHBondContact O-N 3.22Å; L950-I1000 WeakPolarHBondContact CA-O 3.41Å; L950-I1000 HydrophobicContact CD1-CG2 4.23Å; R951-I1000 PolarHBondContact N-O 3.49Å; V992-I1000 HydrophobicContact CB-CG2 4.44Å; V992-I1000 HydrophobicContact CG1-CG2 4.03Å; V992-I1000 HydrophobicContact CG2-CG2 3.75Å; I1000-V1002 HydrophobicContact CG2-CG1 4.32Å
1001	F	97	Very high	92.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.4	178.1	-66.7	-87.8	0	0	0	111.4	R951 L953 Q993 S994 I996 T999 L1033	R951-F1001 HydrophobicContact CB-CD1 4.22Å; R951-F1001 HydrophobicContact CB-CE1 4.27Å; L953-F1001 HydrophobicContact CD1-CB 4.44Å; L953-F1001 HydrophobicContact CD1-CD1 4.08Å; L953-F1001 HydrophobicContact CD1-CG 4.5Å; Q993-F1001 PolarHBondContact N-O 2.85Å; S994-F1001 PolarHBondContact O-N 3.38Å; I996-F1001 HydrophobicContact CB-CE2 4.21Å; I996-F1001 HydrophobicContact CD1-CE2 4.37Å; T999-F1001 HydrophobicContact CG2-CD2 4.22Å; T999-F1001 HydrophobicContact CG2-CE1 4.21Å; T999-F1001 HydrophobicContact CG2-CE2 3.64Å; T999-F1001 HydrophobicContact CG2-CZ 3.64Å; F1001-L1033 HydrophobicContact CD1-CD1 3.99Å; F1001-L1033 HydrophobicContact CD2-CD1 4.46Å; F1001-L1033 HydrophobicContact CE1-CD1 3.66Å; F1001-L1033 HydrophobicContact CE2-CD1 4.17Å; F1001-L1033 HydrophobicContact CG-CD1 4.38Å; F1001-L1033 HydrophobicContact CZ-CD1 3.75Å; F1001-L1033 HydrophobicContact CZ-CD2 4.12Å
1002	V	97.5	Very high	92.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.8	178.4	-59.1	0	0	0	0	110.2	L950 R951 I952 L953 A990 I1000 N1004 I1005	L950-V1002 HydrophobicContact CD1-CG1 4.11Å; L950-V1002 HydrophobicContact CD2-CG2 3.94Å; L950-V1002 HydrophobicContact CG-CG1 4.35Å; L950-V1002 HydrophobicContact CG-CG2 4.41Å; R951-V1002 WeakPolarHBondContact O-CG2 3.49Å; R951-V1002 PolarHBondContact O-N 3.39Å; I952-V1002 WeakPolarHBondContact CA-O 3.47Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; L953-V1002 WeakPolarHBondContact CB-O 3.46Å; L953-V1002 PolarHBondContact N-O 3.27Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.68Å; A990-V1002 HydrophobicContact CB-CG2 4.18Å; I1000-V1002 HydrophobicContact CG2-CG1 4.32Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.47Å; V1002-I1005 HydrophobicContact CG2-CG1 3.99Å
1003	R	95	Very high	92.5	Very high	165 Å²	165	39.9 Å²	39.9	62%	0.623	20%	0.2	S	C	*	.	S	Bend	trans	-71.6	-32.4	171.9	-65.6	-168.2	-170.4	-148.5	-3.1	112.6	Q993	Q993-R1003 HydrophobicContact CG-CG 3.69Å
1004	N	96.4	Very high	92.4	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.048	19%	0.191	C	C	.	.			trans	-162.4	167.6	-172.1	-156.3	-4.4	0	0	0	110.9	A990 V1002 Y1006 D1012 L1014	A990-N1004 VanDerWaalsContact CB-O 3.27Å; A990-N1004 WeakPolarHBondContact CB-O 3.33Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.47Å; N1004-Y1006 HydrophobicContact CB-CE2 4.01Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.41Å; N1004-Y1006 PolarHBondContact ND2-OH 3.11Å; N1004-Y1006 VanDerWaalsContact ND2-OH 3.17Å; N1004-D1012 PolarHBondContact ND2-OD1 2.69Å; N1004-D1012 PolarHBondContact ND2-OD2 3.17Å; N1004-D1012 PolarHBondContact OD1-OD1 3.35Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.14Å; N1004-L1014 HydrophobicContact CB-CB 4.45Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.46Å; N1004-L1014 PolarHBondContact OD1-N 2.79Å
1005	I	96.9	Very high	92.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.202	C	C	.	.			trans	-129.2	133.6	173.9	-59.1	177.1	0	0	0	108.4	F833 L844 L950 I952 F988 A990 V1002 L1013	F833-I1005 HydrophobicContact CE2-CG2 4.3Å; F833-I1005 HydrophobicContact CZ-CD1 4.18Å; F833-I1005 HydrophobicContact CZ-CG1 4.19Å; F833-I1005 HydrophobicContact CZ-CG2 3.71Å; L844-I1005 HydrophobicContact CD1-CD1 3.45Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.45Å; L844-I1005 HydrophobicContact CG-CD1 4.5Å; L950-I1005 HydrophobicContact CD2-CD1 3.36Å; L950-I1005 HydrophobicContact CD2-CG1 4.02Å; I952-I1005 HydrophobicContact CD1-CD1 4.42Å; I952-I1005 HydrophobicContact CD1-CG1 4.45Å; I952-I1005 HydrophobicContact CG1-CD1 4.29Å; I952-I1005 HydrophobicContact CG1-CG1 4.33Å; F988-I1005 HydrophobicContact CB-CG2 4.11Å; A990-I1005 HydrophobicContact CB-CG1 4.41Å; V1002-I1005 HydrophobicContact CG2-CG1 3.99Å; I1005-L1013 HydrophobicContact CB-CB 4.14Å; I1005-L1013 HydrophobicContact CB-CD2 4.12Å; I1005-L1013 HydrophobicContact CD1-CD2 4.05Å; I1005-L1013 WeakPolarHBondContact O-CB 3.44Å; I1005-L1013 PolarHBondContact O-N 2.67Å
1006	Y	95.5	Very high	92.1	Very high	82 Å²	82	39.1 Å²	39.1	32%	0.322	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.3	177.5	-53.4	-80.2	0	0	0	110.6	F988 H989 N1004 N1011 D1012	F988-Y1006 CarbonylContact C-O 3.51Å; F988-Y1006 VanDerWaalsContact CA-O 3.27Å; F988-Y1006 WeakPolarHBondContact CA-O 3.47Å; H989-Y1006 PolarHBondContact N-O 2.8Å; H989-Y1006 PolarHBondContact O-N 2.91Å; N1004-Y1006 HydrophobicContact CB-CE2 4.01Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.41Å; N1004-Y1006 PolarHBondContact ND2-OH 3.11Å; N1004-Y1006 VanDerWaalsContact ND2-OH 3.17Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.39Å; Y1006-D1012 HydrophobicContact CD1-CB 4.22Å; Y1006-D1012 HydrophobicContact CE1-CB 4.06Å
1007	D	90.4	Very high	92.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	173.1	169.6	71.7	17.4	0	0	0	112.7	R986 F988 H989 E1009 G1010 N1011	R986-D1007 IonicContact CZ-OD2 2.8Å; R986-D1007 IonicContact NH1-OD2 2.68Å; R986-D1007 VanDerWaalsContact NH2-CG 3.33Å; R986-D1007 IonicContact NH2-OD2 3.16Å; R986-D1007 PolarHBondContact NH2-OD2 3.25Å; F988-D1007 HydrophobicContact CD1-CB 3.66Å; F988-D1007 HydrophobicContact CE1-CB 3.57Å; H989-D1007 PolarHBondContact CE1-O 3.3Å; D1007-E1009 PolarHBondContact O-N 3.05Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.34Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-E1009 PolarHBondContact OD1-N 3.2Å; D1007-G1010 PolarHBondContact O-N 3.5Å; D1007-G1010 PolarHBondContact OD1-N 2.87Å; D1007-N1011 PolarHBondContact N-O 2.95Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.28Å; D1007-N1011 PolarHBondContact OD1-N 3.32Å; D1007-N1011 PolarHBondContact OD1-ND2 3.19Å; D1007-N1011 PolarHBondContact OD2-ND2 2.75Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.15Å
1008	D	85.1	Confident	92.1	Very high	86 Å²	86	39.5 Å²	39.5	46%	0.46	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.2	179.8	-55.9	-42.9	0	0	0	114.4	Q987	Q987-D1008 WeakPolarHBondContact CB-OD1 3.44Å; Q987-D1008 PolarHBondContact N-OD2 3.18Å
1009	E	84.9	Confident	91.8	Very high	91 Å²	91	42.3 Å²	42.3	43%	0.425	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	4.4	179.3	-71.9	156.1	-155.2	0	0	111.6	K983 D1007 N1011	K983-E1009 IonicContact NZ-OE1 3.88Å; K983-E1009 PolarHBondContact NZ-OE1 2.73Å; D1007-E1009 PolarHBondContact O-N 3.05Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.34Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-E1009 PolarHBondContact OD1-N 3.2Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.49Å
1010	G	86.1	Confident	91	Very high	54 Å²	54	47.4 Å²	47.4	56%	0.557	24%	0.239	S	C	*	.			trans	79.8	9.3	179.4	0	0	0	0	0	114.6	D1007	D1007-G1010 PolarHBondContact O-N 3.5Å; D1007-G1010 PolarHBondContact OD1-N 2.87Å
1011	N	89.9	Confident	90.3	Very high	54 Å²	54	48.6 Å²	48.6	29%	0.289	24%	0.244	S	C	.	.			trans	-70.3	135.3	179.1	-59.4	-88.4	0	0	0	110.6	F976 Y1006 D1007 E1009	F976-N1011 HydrophobicContact CE2-CB 3.97Å; F976-N1011 HydrophobicContact CZ-CB 4.35Å; F976-N1011 WeakPolarHBondContact CZ-O 3.39Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.39Å; D1007-N1011 PolarHBondContact N-O 2.95Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.28Å; D1007-N1011 PolarHBondContact OD1-N 3.32Å; D1007-N1011 PolarHBondContact OD1-ND2 3.19Å; D1007-N1011 PolarHBondContact OD2-ND2 2.75Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.15Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.49Å
1012	D	93.1	Very high	89.4	Confident	46 Å²	46	52.8 Å²	52.8	25%	0.246	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-92.1	122.4	-177.1	174	-16.9	0	0	0	111.3	N1004 Y1006 L1014 S1015 F1016	N1004-D1012 PolarHBondContact ND2-OD1 2.69Å; N1004-D1012 PolarHBondContact ND2-OD2 3.17Å; N1004-D1012 PolarHBondContact OD1-OD1 3.35Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.14Å; Y1006-D1012 HydrophobicContact CD1-CB 4.22Å; Y1006-D1012 HydrophobicContact CE1-CB 4.06Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.42Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.35Å; D1012-L1014 PolarHBondContact OD1-N 3.39Å; D1012-S1015 VanDerWaalsContact CG-OG 3.24Å; D1012-S1015 PolarHBondContact OD1-N 3.36Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.25Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.49Å; D1012-S1015 PolarHBondContact OD2-OG 2.85Å; D1012-F1016 WeakPolarHBondContact O-CB 3.4Å; D1012-F1016 PolarHBondContact O-N 2.91Å
1013	L	93.9	Very high	88.9	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-74.3	-42.2	177.8	-179.8	57.2	0	0	0	113.2	I952 V972 F976 F977 I1005 F1016 V1017	I952-L1013 HydrophobicContact CD1-CD2 4.02Å; I952-L1013 HydrophobicContact CD1-CG 4.18Å; V972-L1013 HydrophobicContact CG1-CD1 3.83Å; V972-L1013 HydrophobicContact CG2-CD1 4.43Å; F976-L1013 HydrophobicContact CB-CD1 4.19Å; F976-L1013 HydrophobicContact CD1-CB 4.42Å; F976-L1013 HydrophobicContact CD1-CD1 3.83Å; F976-L1013 HydrophobicContact CD2-CD1 3.96Å; F976-L1013 HydrophobicContact CE1-CB 3.9Å; F976-L1013 HydrophobicContact CE1-CD1 4.2Å; F976-L1013 HydrophobicContact CE1-CG 4.44Å; F976-L1013 HydrophobicContact CE2-CB 4Å; F976-L1013 HydrophobicContact CE2-CD1 4.32Å; F976-L1013 HydrophobicContact CG-CD1 3.71Å; F976-L1013 HydrophobicContact CZ-CB 3.68Å; F976-L1013 HydrophobicContact CZ-CD1 4.44Å; F977-L1013 HydrophobicContact CE1-CD2 4.25Å; F977-L1013 HydrophobicContact CZ-CD2 3.69Å; I1005-L1013 HydrophobicContact CB-CB 4.14Å; I1005-L1013 HydrophobicContact CB-CD2 4.12Å; I1005-L1013 HydrophobicContact CD1-CD2 4.05Å; I1005-L1013 WeakPolarHBondContact O-CB 3.44Å; I1005-L1013 PolarHBondContact O-N 2.67Å; L1013-F1016 HydrophobicContact CD1-CD1 4.12Å; L1013-F1016 WeakPolarHBondContact O-CB 3.48Å; L1013-F1016 PolarHBondContact O-N 2.89Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1013-V1017 HydrophobicContact CD1-CG2 3.91Å; L1013-V1017 HydrophobicContact CG-CG2 4.37Å; L1013-V1017 WeakPolarHBondContact O-CB 3.45Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; L1013-V1017 PolarHBondContact O-N 3.33Å
1014	L	93.7	Very high	88.6	Confident	22 Å²	22	48.7 Å²	48.7	12%	0.115	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-49.3	178.6	175.3	64.6	0	0	0	110.8	I952 L955 N1004 D1012 F1016 V1017 I1018	I952-L1014 HydrophobicContact CG2-CD1 4.2Å; L955-L1014 HydrophobicContact CD1-CD1 3.9Å; L955-L1014 HydrophobicContact CD2-CD1 3.86Å; L955-L1014 HydrophobicContact CG-CD1 4.31Å; N1004-L1014 HydrophobicContact CB-CB 4.45Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.46Å; N1004-L1014 PolarHBondContact OD1-N 2.79Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.42Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.35Å; D1012-L1014 PolarHBondContact OD1-N 3.39Å; L1014-F1016 VanDerWaalsContact C-N 3.33Å; L1014-F1016 PolarHBondContact O-N 2.83Å; L1014-V1017 PolarHBondContact O-N 3.01Å; L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.2Å; L1014-I1018 HydrophobicContact CG-CD1 3.92Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.31Å; L1014-I1018 PolarHBondContact O-N 2.86Å
1015	S	91.6	Very high	88.4	Confident	51 Å²	51	51.2 Å²	51.2	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-34.9	174	-66.4	0	0	0	0	111.9	D1012 V1017 N1019	D1012-S1015 VanDerWaalsContact CG-OG 3.24Å; D1012-S1015 PolarHBondContact OD1-N 3.36Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.25Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.49Å; D1012-S1015 PolarHBondContact OD2-OG 2.85Å; S1015-V1017 VanDerWaalsContact C-N 3.3Å; S1015-V1017 PolarHBondContact O-N 3.47Å; S1015-N1019 VanDerWaalsContact O-CB 3.31Å; S1015-N1019 WeakPolarHBondContact O-CB 3.36Å; S1015-N1019 PolarHBondContact O-N 3.28Å; S1015-N1019 PolarHBondContact O-ND2 2.86Å
1016	F	89.9	Confident	88.2	Confident	9 Å²	9	51.9 Å²	51.9	4%	0.039	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-39.4	173.3	174	-91.8	0	0	0	112.3	L971 V972 D975 F976 D1012 L1013 L1014 R1020	L971-F1016 HydrophobicContact CD2-CE1 3.86Å; L971-F1016 HydrophobicContact CD2-CZ 3.5Å; V972-F1016 HydrophobicContact CG2-CD1 4.27Å; V972-F1016 HydrophobicContact CG2-CE1 3.9Å; D975-F1016 HydrophobicContact CB-CE2 4.45Å; D975-F1016 HydrophobicContact CB-CZ 3.94Å; F976-F1016 HydrophobicContact CB-CD1 4.08Å; F976-F1016 HydrophobicContact CB-CE1 3.93Å; F976-F1016 HydrophobicContact CB-CG 4.48Å; F976-F1016 HydrophobicContact CB-CZ 4.17Å; F976-F1016 HydrophobicContact CD2-CB 3.88Å; F976-F1016 HydrophobicContact CD2-CD1 4.07Å; F976-F1016 HydrophobicContact CD2-CD2 4.1Å; F976-F1016 AromaticContact CD2-CG 3.75Å; F976-F1016 HydrophobicContact CD2-CG 3.75Å; F976-F1016 HydrophobicContact CE2-CB 4.22Å; F976-F1016 HydrophobicContact CG-CD1 4.43Å; D1012-F1016 WeakPolarHBondContact O-CB 3.4Å; D1012-F1016 PolarHBondContact O-N 2.91Å; L1013-F1016 HydrophobicContact CD1-CD1 4.12Å; L1013-F1016 WeakPolarHBondContact O-CB 3.48Å; L1013-F1016 PolarHBondContact O-N 2.89Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1014-F1016 VanDerWaalsContact C-N 3.33Å; L1014-F1016 PolarHBondContact O-N 2.83Å; F1016-R1020 VanDerWaalsContact CD2-NH1 3.27Å; F1016-R1020 WeakPolarHBondContact O-CB 3.38Å; F1016-R1020 WeakPolarHBondContact O-CD 3.38Å; F1016-R1020 WeakPolarHBondContact O-CG 3.45Å; F1016-R1020 PolarHBondContact O-NH1 3.18Å; F1016-R1020 VanDerWaalsContact O-NH1 3.17Å
1017	V	90.5	Very high	88	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-74.8	-53	-179.2	169.1	0	0	0	0	111.7	P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021	P841-V1017 HydrophobicContact CB-CG1 3.95Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å; L955-V1017 HydrophobicContact CD1-CG1 4.47Å; L955-V1017 HydrophobicContact CD2-CG1 4.24Å; W964-V1017 HydrophobicContact CH2-CG1 3.72Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; V972-V1017 HydrophobicContact CG2-CG2 3.94Å; L1013-V1017 HydrophobicContact CD1-CG2 3.91Å; L1013-V1017 HydrophobicContact CG-CG2 4.37Å; L1013-V1017 WeakPolarHBondContact O-CB 3.45Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; L1013-V1017 PolarHBondContact O-N 3.33Å; L1014-V1017 PolarHBondContact O-N 3.01Å; S1015-V1017 VanDerWaalsContact C-N 3.3Å; S1015-V1017 PolarHBondContact O-N 3.47Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 3.11Å; V1017-R1020 PolarHBondContact O-N 2.86Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 4.01Å; V1017-F1021 HydrophobicContact CG2-CD2 4.5Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.46Å; V1017-F1021 PolarHBondContact O-N 3.07Å
1018	I	87.3	Confident	88	Confident	76 Å²	76	60 Å²	60	39%	0.39	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-38.1	-178.2	-69.8	174.3	0	0	0	111.3	L955 L1014 R1020	L955-I1018 HydrophobicContact CD1-CG1 4.45Å; L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.2Å; L1014-I1018 HydrophobicContact CG-CD1 3.92Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.31Å; L1014-I1018 PolarHBondContact O-N 2.86Å; I1018-R1020 PolarHBondContact O-N 3.46Å
1019	N	82.4	Confident	88.5	Confident	127 Å²	127	55.9 Å²	55.9	68%	0.679	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	3.6	177.9	-69.8	-63.5	0	0	0	114.5	S1015 V1017	S1015-N1019 VanDerWaalsContact O-CB 3.31Å; S1015-N1019 WeakPolarHBondContact O-CB 3.36Å; S1015-N1019 PolarHBondContact O-N 3.28Å; S1015-N1019 PolarHBondContact O-ND2 2.86Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 3.11Å
1020	R	78.1	Confident	88.9	Confident	119 Å²	119	53.5 Å²	53.5	45%	0.449	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-26.8	-178	-75	176.7	178.4	65.7	10.8	114.7	F1016 V1017 I1018	F1016-R1020 VanDerWaalsContact CD2-NH1 3.27Å; F1016-R1020 WeakPolarHBondContact O-CB 3.38Å; F1016-R1020 WeakPolarHBondContact O-CD 3.38Å; F1016-R1020 WeakPolarHBondContact O-CG 3.45Å; F1016-R1020 PolarHBondContact O-NH1 3.18Å; F1016-R1020 VanDerWaalsContact O-NH1 3.17Å; V1017-R1020 PolarHBondContact O-N 2.86Å; I1018-R1020 PolarHBondContact O-N 3.46Å
1021	F	81.6	Confident	89.4	Confident	25 Å²	25	56.6 Å²	56.6	11%	0.11	28%	0.282	C	S	.	.	S	Bend	trans	-128.1	155.4	-172	-53.9	-68.4	0	0	0	111.8	W964 A968 L971 V972 V1017 S1023	W964-F1021 HydrophobicContact CZ3-CB 4.15Å; A968-F1021 VanDerWaalsContact CA-CE1 3.44Å; A968-F1021 HydrophobicContact CB-CD1 3.55Å; A968-F1021 HydrophobicContact CB-CD2 4.38Å; A968-F1021 HydrophobicContact CB-CE1 3.37Å; A968-F1021 HydrophobicContact CB-CE2 4.23Å; A968-F1021 HydrophobicContact CB-CG 4.06Å; A968-F1021 HydrophobicContact CB-CZ 3.73Å; L971-F1021 HydrophobicContact CB-CZ 4.11Å; L971-F1021 HydrophobicContact CD1-CZ 4.4Å; L971-F1021 HydrophobicContact CD2-CE2 4.45Å; L971-F1021 HydrophobicContact CD2-CZ 3.85Å; L971-F1021 HydrophobicContact CG-CZ 4.34Å; V972-F1021 HydrophobicContact CG2-CE2 4.03Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 4.01Å; V1017-F1021 HydrophobicContact CG2-CD2 4.5Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.46Å; V1017-F1021 PolarHBondContact O-N 3.07Å; F1021-S1023 PolarHBondContact O-N 3.35Å; F1021-S1023 VanDerWaalsContact O-N 3.1Å
1022	R	77.6	Confident	89.6	Confident	90 Å²	90	56.6 Å²	56.6	34%	0.34	28%	0.28	S	S	.	.			trans	-75	96.6	172	-73.4	-169.7	-164.2	-175.8	4.8	109.9	E958	E958-R1022 HydrophobicContact CB-CB 4.3Å; E958-R1022 HydrophobicContact CG-CB 4.1Å; E958-R1022 PolarHBondContact N-O 2.86Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.5Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.23Å
1023	S	87.4	Confident	89.7	Confident	17 Å²	17	54.4 Å²	54.4	12%	0.119	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.1	-176.3	60.5	0	0	0	0	112.2	Q956 W964 F1021	Q956-S1023 CarbonylContact O-C 3.55Å; Q956-S1023 VanDerWaalsContact O-CA 3.3Å; Q956-S1023 WeakPolarHBondContact O-CA 3.49Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å; F1021-S1023 PolarHBondContact O-N 3.35Å; F1021-S1023 VanDerWaalsContact O-N 3.1Å
1024	H	89.3	Confident	89.7	Confident	62 Å²	62	57.4 Å²	57.4	29%	0.287	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142	174.5	170	70.4	0	0	0	109.2	R767 Q956	R767-H1024 WeakPolarHBondContact CD-NE2 3.35Å; R767-H1024 PolarHBondContact NE-CD2 2.86Å; R767-H1024 VanDerWaalsContact NE-CD2 3.26Å; R767-H1024 PolarHBondContact NE-NE2 2.99Å; R767-H1024 VanDerWaalsContact NE-NE2 3.15Å; Q956-H1024 PolarHBondContact N-O 3.26Å; Q956-H1024 PolarHBondContact O-N 3.06Å; Q956-H1024 VanDerWaalsContact O-O 3.11Å
1025	Q	91.6	Very high	89.7	Confident	62 Å²	62	58.6 Å²	58.6	29%	0.29	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.7	169.5	-167.6	160.5	25.7	0	0	109.5	L953 G954 E1027	L953-Q1025 PolarHBondContact O-NE2 3.14Å; G954-Q1025 WeakPolarHBondContact O-CA 3.37Å; Q1025-E1027 PolarHBondContact O-N 2.72Å
1026	D	91.7	Very high	89.7	Confident	16 Å²	16	56.7 Å²	56.7	9%	0.086	28%	0.283	C	S	.	.			trans	-89.4	98.9	-179.2	-171.1	-30.6	0	0	0	109	R767 G954 Q956 C1028 C1029 K1032	R767-D1026 IonicContact NH2-OD2 2.76Å; G954-D1026 PolarHBondContact O-N 2.71Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.3Å; D1026-C1028 PolarHBondContact O-N 2.92Å; D1026-C1028 PolarHBondContact OD1-N 2.86Å; D1026-C1029 HydrophobicContact CB-CB 4.38Å; D1026-C1029 WeakPolarHBondContact O-CB 3.49Å; D1026-C1029 PolarHBondContact O-N 3.35Å; D1026-C1029 PolarHBondContact OD1-N 3.15Å; D1026-K1032 IonicContact OD1-NZ 3.82Å; D1026-K1032 IonicContact OD2-NZ 3.08Å; D1026-K1032 PolarHBondContact OD2-NZ 2.91Å
1027	E	91.1	Very high	89.8	Confident	186 Å²	186	57.9 Å²	57.9	87%	0.869	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27	-178	-60.3	-175.1	159.9	0	0	112.4	Q1025 C1029	Q1025-E1027 PolarHBondContact O-N 2.72Å; E1027-C1029 VanDerWaalsContact C-N 3.26Å; E1027-C1029 PolarHBondContact O-N 3.26Å
1028	C	91.6	Very high	89.9	Confident	66 Å²	66	65.3 Å²	65.3	45%	0.446	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.3	177	-64	0	0	0	0	113.5	D1026 Q1030 L1031 K1032	D1026-C1028 PolarHBondContact O-N 2.92Å; D1026-C1028 PolarHBondContact OD1-N 2.86Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 3.03Å; C1028-L1031 WeakPolarHBondContact O-CB 3.41Å; C1028-L1031 PolarHBondContact O-N 3.08Å; C1028-L1031 VanDerWaalsContact O-N 3.1Å; C1028-K1032 WeakPolarHBondContact O-CG 3.44Å; C1028-K1032 PolarHBondContact O-N 3.36Å; C1028-K1032 VanDerWaalsContact O-N 3.11Å
1029	C	94.8	Very high	90	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57	-36.2	-175.2	-174.6	0	0	0	0	113.9	L953 G954 D1026 E1027 K1032 L1033	L953-C1029 HydrophobicContact CD1-CB 4.07Å; L953-C1029 HydrophobicContact CG-CB 4.36Å; G954-C1029 VanDerWaalsContact CA-CB 3.46Å; G954-C1029 PolarHBondContact N-SG 2.65Å; D1026-C1029 HydrophobicContact CB-CB 4.38Å; D1026-C1029 WeakPolarHBondContact O-CB 3.49Å; D1026-C1029 PolarHBondContact O-N 3.35Å; D1026-C1029 PolarHBondContact OD1-N 3.15Å; E1027-C1029 VanDerWaalsContact C-N 3.26Å; E1027-C1029 PolarHBondContact O-N 3.26Å; C1029-K1032 PolarHBondContact O-N 3.17Å; C1029-L1033 WeakPolarHBondContact O-CG 3.39Å; C1029-L1033 PolarHBondContact O-N 3.19Å; C1029-L1033 VanDerWaalsContact O-N 3.11Å
1030	Q	94.7	Very high	90.4	Very high	41 Å²	41	59.5 Å²	59.5	19%	0.192	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-46.7	176.2	-171.1	61.7	64.6	0	0	110.7	L953 S994 C1028 K1032 L1033 D1034	L953-Q1030 HydrophobicContact CD1-CB 4.41Å; L953-Q1030 HydrophobicContact CD2-CB 4.14Å; S994-Q1030 PolarHBondContact OG-NE2 2.89Å; S994-Q1030 PolarHBondContact OG-OE1 3.36Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 3.03Å; Q1030-K1032 PolarHBondContact O-N 3.34Å; Q1030-L1033 CarbonylContact O-C 3.57Å; Q1030-L1033 PolarHBondContact O-N 2.81Å; Q1030-D1034 PolarHBondContact NE2-OD1 3.07Å; Q1030-D1034 PolarHBondContact O-N 2.81Å
1031	L	95.1	Very high	90.9	Very high	119 Å²	119	58.1 Å²	58.1	62%	0.623	30%	0.301	S	S	*	.	H	α-helix	trans	-59	-34.9	179	-59.3	174.8	0	0	0	112.3	C1028 A1035	C1028-L1031 WeakPolarHBondContact O-CB 3.41Å; C1028-L1031 PolarHBondContact O-N 3.08Å; C1028-L1031 VanDerWaalsContact O-N 3.1Å; L1031-A1035 VanDerWaalsContact O-CB 3.29Å; L1031-A1035 WeakPolarHBondContact O-CB 3.2Å; L1031-A1035 PolarHBondContact O-N 3.34Å
1032	K	94.8	Very high	91.1	Very high	54 Å²	54	61.6 Å²	61.6	24%	0.235	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-42.6	174.5	-63.5	174.1	-179.2	-177.5	0	112.2	F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036	F800-K1032 WeakPolarHBondContact O-CB 3.45Å; F800-K1032 WeakPolarHBondContact O-CD 3.32Å; D802-K1032 HydrophobicContact CB-CD 4.39Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D802-K1032 IonicContact OD2-NZ 2.68Å; D802-K1032 PolarHBondContact OD2-NZ 2.73Å; D1026-K1032 IonicContact OD1-NZ 3.82Å; D1026-K1032 IonicContact OD2-NZ 3.08Å; D1026-K1032 PolarHBondContact OD2-NZ 2.91Å; C1028-K1032 WeakPolarHBondContact O-CG 3.44Å; C1028-K1032 PolarHBondContact O-N 3.36Å; C1028-K1032 VanDerWaalsContact O-N 3.11Å; C1029-K1032 PolarHBondContact O-N 3.17Å; Q1030-K1032 PolarHBondContact O-N 3.34Å; K1032-A1035 PolarHBondContact O-N 3.43Å; K1032-M1036 WeakPolarHBondContact O-CB 3.49Å; K1032-M1036 PolarHBondContact O-N 3.47Å
1033	L	94.8	Very high	91.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-38.5	175.7	-70.4	166.4	0	0	0	111.6	L953 I996 F1001 C1029 Q1030 M1036 V1037	L953-L1033 HydrophobicContact CD1-CD1 3.87Å; I996-L1033 HydrophobicContact CD1-CB 3.89Å; F1001-L1033 HydrophobicContact CD1-CD1 3.99Å; F1001-L1033 HydrophobicContact CD2-CD1 4.46Å; F1001-L1033 HydrophobicContact CE1-CD1 3.66Å; F1001-L1033 HydrophobicContact CE2-CD1 4.17Å; F1001-L1033 HydrophobicContact CG-CD1 4.38Å; F1001-L1033 HydrophobicContact CZ-CD1 3.75Å; F1001-L1033 HydrophobicContact CZ-CD2 4.12Å; C1029-L1033 WeakPolarHBondContact O-CG 3.39Å; C1029-L1033 PolarHBondContact O-N 3.19Å; C1029-L1033 VanDerWaalsContact O-N 3.11Å; Q1030-L1033 CarbonylContact O-C 3.57Å; Q1030-L1033 PolarHBondContact O-N 2.81Å; L1033-M1036 HydrophobicContact CD2-CE 3.83Å; L1033-M1036 WeakPolarHBondContact O-CB 3.27Å; L1033-M1036 PolarHBondContact O-N 2.83Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.48Å; L1033-V1037 PolarHBondContact O-N 3.23Å
1034	D	94.1	Very high	90.2	Very high	63 Å²	63	61.5 Å²	61.5	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-65.2	-43	174.6	-59.1	-23.6	0	0	0	110.7	Q1030 V1037 M1038	Q1030-D1034 PolarHBondContact NE2-OD1 3.07Å; Q1030-D1034 PolarHBondContact O-N 2.81Å; D1034-V1037 PolarHBondContact O-N 3.29Å; D1034-M1038 WeakPolarHBondContact O-CG 3.41Å; D1034-M1038 PolarHBondContact O-N 3.08Å
1035	A	93.1	Very high	89	Confident	48 Å²	48	65.2 Å²	65.2	40%	0.397	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-42.9	174.2	0	0	0	0	0	112.4	L1031 K1032 V1037 M1038 S1039	L1031-A1035 VanDerWaalsContact O-CB 3.29Å; L1031-A1035 WeakPolarHBondContact O-CB 3.2Å; L1031-A1035 PolarHBondContact O-N 3.34Å; K1032-A1035 PolarHBondContact O-N 3.43Å; A1035-V1037 VanDerWaalsContact C-N 3.34Å; A1035-V1037 PolarHBondContact O-N 3Å; A1035-M1038 PolarHBondContact O-N 2.87Å; A1035-S1039 WeakPolarHBondContact O-CB 3.5Å; A1035-S1039 PolarHBondContact O-N 3.27Å; A1035-S1039 PolarHBondContact O-OG 3.2Å
1036	M	92.4	Very high	86.9	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.049	38%	0.377	C	S	.	.	H	α-helix	trans	-56	-47.5	172.2	175.7	-167.4	67.6	0	0	111.1	M797 M814 I996 K1032 L1033 S1039 S1040	M797-M1036 HydrophobicContact CG-CG 4.19Å; M797-M1036 HydrophobicContact CG-SD 3.59Å; M797-M1036 VanDerWaalsContact CG-SD 3.59Å; M797-M1036 HydrophobicContact SD-CB 4.13Å; M797-M1036 HydrophobicContact SD-CG 3.83Å; M797-M1036 HydrophobicContact SD-SD 3.7Å; M797-M1036 VanDerWaalsContact SD-SD 3.7Å; M814-M1036 HydrophobicContact CB-CG 4.23Å; M814-M1036 HydrophobicContact SD-CE 3.88Å; I996-M1036 HydrophobicContact CG2-CE 4.14Å; K1032-M1036 WeakPolarHBondContact O-CB 3.49Å; K1032-M1036 PolarHBondContact O-N 3.47Å; L1033-M1036 HydrophobicContact CD2-CE 3.83Å; L1033-M1036 WeakPolarHBondContact O-CB 3.27Å; L1033-M1036 PolarHBondContact O-N 2.83Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.06Å; M1036-S1039 PolarHBondContact O-N 3.06Å; M1036-S1039 PolarHBondContact O-OG 2.97Å; M1036-S1040 PolarHBondContact O-N 2.85Å
1037	V	92.9	Very high	86.6	Confident	35 Å²	35	74.6 Å²	74.6	21%	0.212	39%	0.392	C	S	.	.	H	α-helix	trans	-62.3	-45.7	177.5	163.2	0	0	0	0	112	M814 V819 I996 L1033 D1034 A1035 S1039 S1040	M814-V1037 HydrophobicContact SD-CG2 4.05Å; V819-V1037 HydrophobicContact CG1-CG1 3.66Å; V819-V1037 HydrophobicContact CG1-CG2 4.45Å; V819-V1037 HydrophobicContact CG2-CG1 4.37Å; I996-V1037 HydrophobicContact CD1-CG2 4.17Å; I996-V1037 HydrophobicContact CG1-CG2 4.37Å; I996-V1037 HydrophobicContact CG2-CG2 3.78Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.48Å; L1033-V1037 PolarHBondContact O-N 3.23Å; D1034-V1037 PolarHBondContact O-N 3.29Å; A1035-V1037 VanDerWaalsContact C-N 3.34Å; A1035-V1037 PolarHBondContact O-N 3Å; V1037-S1039 VanDerWaalsContact C-N 3.26Å; V1037-S1039 PolarHBondContact O-N 3.49Å; V1037-S1040 VanDerWaalsContact O-CB 3.25Å; V1037-S1040 WeakPolarHBondContact O-CB 3.17Å; V1037-S1040 PolarHBondContact O-N 2.86Å; V1037-S1040 PolarHBondContact O-OG 3.11Å
1038	M	92.1	Very high	86.4	Confident	155 Å²	155	68.7 Å²	68.7	76%	0.764	37%	0.367	S	S	*	.	H	α-helix	trans	-64.6	-28.6	176.3	-71	-174.1	-66.1	0	0	113	D1034 A1035 S1040	D1034-M1038 WeakPolarHBondContact O-CG 3.41Å; D1034-M1038 PolarHBondContact O-N 3.08Å; A1035-M1038 PolarHBondContact O-N 2.87Å; M1038-S1040 VanDerWaalsContact C-N 3.26Å; M1038-S1040 PolarHBondContact O-N 2.81Å
1039	S	89.6	Confident	86.1	Confident	57 Å²	57	68.9 Å²	68.9	40%	0.399	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.5	177	75.3	0	0	0	0	114.7	A1035 M1036 V1037	A1035-S1039 WeakPolarHBondContact O-CB 3.5Å; A1035-S1039 PolarHBondContact O-N 3.27Å; A1035-S1039 PolarHBondContact O-OG 3.2Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.06Å; M1036-S1039 PolarHBondContact O-N 3.06Å; M1036-S1039 PolarHBondContact O-OG 2.97Å; V1037-S1039 VanDerWaalsContact C-N 3.26Å; V1037-S1039 PolarHBondContact O-N 3.49Å
1040	S	90.4	Very high	85.6	Confident	24 Å²	24	72.9 Å²	72.9	17%	0.168	38%	0.383	C	S	.	.			trans	-63.5	137.1	-174.3	56.7	0	0	0	0	113.8	M814 M1036 V1037 M1038	M814-S1040 VanDerWaalsContact O-CA 3.25Å; M814-S1040 WeakPolarHBondContact O-CA 3.05Å; M814-S1040 WeakPolarHBondContact O-CB 3.48Å; M1036-S1040 PolarHBondContact O-N 2.85Å; V1037-S1040 VanDerWaalsContact O-CB 3.25Å; V1037-S1040 WeakPolarHBondContact O-CB 3.17Å; V1037-S1040 PolarHBondContact O-N 2.86Å; V1037-S1040 PolarHBondContact O-OG 3.11Å; M1038-S1040 VanDerWaalsContact C-N 3.26Å; M1038-S1040 PolarHBondContact O-N 2.81Å
1041	K	88.1	Confident	85	Confident	90 Å²	90	74.9 Å²	74.9	39%	0.391	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-114.6	162.1	-176	-56.4	-169.7	-172.2	-179.2	0	110.7	E784 V813 M814 W815 R816	E784-K1041 IonicContact OE1-NZ 2.69Å; E784-K1041 PolarHBondContact OE1-NZ 3.26Å; V813-K1041 HydrophobicContact CG1-CB 4Å; V813-K1041 HydrophobicContact CG1-CD 3.89Å; V813-K1041 HydrophobicContact CG1-CG 3.71Å; M814-K1041 PolarHBondContact O-N 2.94Å; W815-K1041 CarbonylContact C-O 3.48Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.47Å; R816-K1041 PolarHBondContact N-O 2.89Å
1042	D	85.1	Confident	84.4	Confident	99 Å²	99	72 Å²	72	53%	0.529	38%	0.38	S	S	.	.			trans	-67.3	150.7	173.5	-60.7	-59.5	0	0	0	110.9	R816 P1044	R816-D1042 WeakPolarHBondContact CD-OD1 3.44Å; R816-D1042 IonicContact CZ-OD1 3.47Å; R816-D1042 IonicContact CZ-OD2 2.73Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.25Å; R816-D1042 IonicContact NE-OD1 2.67Å; R816-D1042 IonicContact NH1-OD1 3.73Å; R816-D1042 PolarHBondContact NH1-OD1 3.43Å; R816-D1042 IonicContact NH1-OD2 3.8Å; R816-D1042 PolarHBondContact NH1-OD2 3.11Å; R816-D1042 IonicContact NH2-OD2 3.41Å; D1042-P1044 WeakPolarHBondContact O-CD 3.28Å
1043	C	78.3	Confident	83.6	Confident	22 Å²	22	73.3 Å²	73.3	15%	0.149	39%	0.391	C	S	.	.			trans	-73.1	123.1	174.5	-177.6	0	0	0	0	109.4	W815 Y1045 M1046	W815-C1043 HydrophobicContact CB-CB 4.48Å; W815-C1043 HydrophobicContact CD2-CB 4.03Å; W815-C1043 HydrophobicContact CE3-CB 4.47Å; W815-C1043 HydrophobicContact CG-CB 4.04Å; C1043-Y1045 PolarHBondContact O-N 3.4Å; C1043-Y1045 VanDerWaalsContact O-N 3.08Å; C1043-M1046 HydrophobicContact CB-CG 4.1Å; C1043-M1046 HydrophobicContact CB-SD 4.25Å
1044	P	69.1	Low	82.8	Confident	83 Å²	83	78.9 Å²	78.9	54%	0.539	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	13.3	-178.4	34.1	-37.1	0	0	0	113.6	D1042	D1042-P1044 WeakPolarHBondContact O-CD 3.28Å
1045	Y	64.6	Low	81.8	Confident	139 Å²	139	80.3 Å²	80.3	55%	0.545	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	22.6	-177.1	-53	-63.2	0	0	0	112.4	C1043	C1043-Y1045 PolarHBondContact O-N 3.4Å; C1043-Y1045 VanDerWaalsContact O-N 3.08Å
1046	M	46.3	Very low	80.8	Confident	201 Å²	201	83.2 Å²	83.2	99%	0.99	43%	0.43	S	S	*	.			trans	-105.5	0	168	-76.9	-175.1	172	0	0	110.2	D817 C1043	D817-M1046 HydrophobicContact CB-CE 4.31Å; C1043-M1046 HydrophobicContact CB-CG 4.1Å; C1043-M1046 HydrophobicContact CB-SD 4.25Å

Retrieved 1,046 of 1,046 residues in 1232.1 ms (Link to these results)

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