A0A3Q0KDY9_SCHMA Loading...

ribonuclease Z

AlphaFold DB , UniProt , Accession A0A3Q0KDY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 839 aa.

						>A0A3Q0KDY9_SCHMA|A0A3Q0KDY9
MLRPSLCYVRLITTPKRFLKHKRPEDRMIPPPHSISLTVVGNGRAGSSKSMLIDTGVCRYLVNCGESTQRVLAEYRMKASRIQHVFLTRMSWDCTSGLLGVALTAKAAGVKKLTIHGPPELERLMQLTRPFTNCKTTDIVMSEIHKKCYTDDAFRVQSFQIFKPTNVNEEPVYKRRKENLDHVSESSVFMYYFQPFRTRRKLIMSKFNEACIPASVLKSGEIQTVINGENLILSDGRIISPDEVTAPSPPSKNMLFIDCPNSDYIPAFISNEEFFNSIQAEESNENLTSGVSLVVHFTPPGMFYSNQYQKFVQKLEECALRKSDTEDPTTTLKHLVLDGTGYVTDRVGMYSQTFILNRFFDSKVYPLLFDMADSDTVSKRNETISKNVDPFSSVVTAEPYLQFSLRPWTGFNKPTYPQLNGDEFVSQIFDPIYMSLQEAEEQFVKMRESIESNKPPAHRLASEAYPEITFLGTASSSPNKYRNISCILMQLDPDNYIMLDCGEGSLSQLYALHGVEKGNDILRKLRLILVTHMHADHHGGVFTVALVRSNLLKSDGIDQSNCLLPVLTPSEFCHWLTNFNKLFHYDQIVDPFIIPIIYDKHDKNSNPSWVLNMKRNETENWLKLLEQLDINIRPVKVPHTRSSWAFIIDNPYPFKNLVNSKNIAENCSEIQRKWSIVYSGDTPSCPELVRAGKNCDLLIHEATVNDEYVDLAVKAKHSTTSQAIQAGRDMNASFILLNHFSQRYGRVPPIDEFKSDVAASFDFMTVKFSDLQRLPYYIPYYQYAFAKHWNMARTKADSYTYRKLREADELLESEDGHCAKTNDGVDDYNRLLNEQSVKG
					

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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	35.8	Very low	31.6	Very low	243 Å²	243	166.6 Å²	166.6	100%	1.197	84%	0.835	S	S	*	*				0	86.6	0	-70.9	-176.3	177.3	0	0	108.2
2	L	35.6	Very low	31.4	Very low	174 Å²	174	164.3 Å²	164.3	91%	0.911	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-84.1	118.9	-174.2	-74.2	155.8	0	0	0	108.8
3	R	29.5	Very low	31.1	Very low	242 Å²	242	160.3 Å²	160.3	91%	0.913	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.7	128.3	179.6	-77	-178.4	174.8	177.8	-1.5	109.8
4	P	37	Very low	30.8	Very low	115 Å²	115	156.7 Å²	156.7	75%	0.747	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.6	130	173.4	-1.5	16.3	0	0	0	109.7	L6	P4-L6 PolarHBondContact O-N 3.19Å; P4-L6 VanDerWaalsContact O-N 3.12Å
5	S	33.9	Very low	30.6	Very low	108 Å²	108	153.5 Å²	153.5	76%	0.755	80%	0.797	S	S	*	*			trans	-60.4	107	169.7	49.3	0	0	0	0	110.1	C7	S5-C7 PolarHBondContact O-N 2.79Å
6	L	33.4	Very low	30.5	Very low	152 Å²	152	156.1 Å²	156.1	80%	0.796	80%	0.8	S	S	*	*			trans	-64.9	101.1	166	-91.1	102.4	0	0	0	108.8	P4 Y8	P4-L6 PolarHBondContact O-N 3.19Å; P4-L6 VanDerWaalsContact O-N 3.12Å; L6-Y8 PolarHBondContact O-N 3.47Å
7	C	29.9	Very low	30.6	Very low	111 Å²	111	159.4 Å²	159.4	75%	0.75	80%	0.8	S	S	*	*			trans	-64.4	99.8	162.7	-76.9	0	0	0	0	108.8	S5 V9	S5-C7 PolarHBondContact O-N 2.79Å; C7-V9 VanDerWaalsContact C-N 3.27Å; C7-V9 PolarHBondContact O-N 3.01Å
8	Y	28	Very low	30.6	Very low	206 Å²	206	161.5 Å²	161.5	81%	0.808	80%	0.804	S	S	*	*			trans	-67.3	87.5	166.3	-108.9	-92.5	0	0	0	108.8	L6 R10	L6-Y8 PolarHBondContact O-N 3.47Å; Y8-R10 VanDerWaalsContact C-N 3.28Å; Y8-R10 PolarHBondContact O-N 2.98Å
9	V	30.8	Very low	30.7	Very low	119 Å²	119	160.4 Å²	160.4	72%	0.721	80%	0.8	S	S	*	*			trans	-69.5	93.3	163	-179.8	0	0	0	0	106.3	C7 L11	C7-V9 VanDerWaalsContact C-N 3.27Å; C7-V9 PolarHBondContact O-N 3.01Å; V9-L11 VanDerWaalsContact C-N 3.29Å; V9-L11 PolarHBondContact O-N 2.93Å
10	R	27.2	Very low	30.9	Very low	218 Å²	218	162 Å²	162	82%	0.823	80%	0.802	S	S	*	*			trans	-61.8	98.2	164.2	-90.9	-176.6	173.4	177.4	-1.1	107	Y8 I12	Y8-R10 VanDerWaalsContact C-N 3.28Å; Y8-R10 PolarHBondContact O-N 2.98Å; R10-I12 PolarHBondContact O-N 3.18Å
11	L	26.9	Very low	31	Very low	145 Å²	145	162.9 Å²	162.9	76%	0.759	80%	0.804	S	S	*	*			trans	-54.9	91.6	158	-87.3	144.4	0	0	0	107.5	V9 T13	V9-L11 VanDerWaalsContact C-N 3.29Å; V9-L11 PolarHBondContact O-N 2.93Å; L11-T13 PolarHBondContact O-N 2.9Å
12	I	28.5	Very low	30.8	Very low	139 Å²	139	158.5 Å²	158.5	71%	0.713	78%	0.778	S	S	*	*			trans	-73.1	81.8	161.9	-58.7	175.6	0	0	0	104.9	R10 T14	R10-I12 PolarHBondContact O-N 3.18Å; I12-T14 HydrophobicContact CG2-CG2 4.14Å; I12-T14 PolarHBondContact O-N 2.81Å
13	T	27.6	Very low	30.7	Very low	112 Å²	112	159 Å²	159	69%	0.687	77%	0.768	S	S	*	*			trans	-67.4	86.4	160.8	45.9	0	0	0	0	106.4	L11 P15	L11-T13 PolarHBondContact O-N 2.9Å; T13-P15 WeakPolarHBondContact O-CD 3.21Å; T13-P15 VanDerWaalsContact O-N 3.15Å
14	T	27.2	Very low	31.2	Very low	110 Å²	110	153.1 Å²	153.1	68%	0.675	76%	0.761	S	S	*	*			trans	-59.3	114	162.6	26	0	0	0	0	106.3	I12 K16	I12-T14 HydrophobicContact CG2-CG2 4.14Å; I12-T14 PolarHBondContact O-N 2.81Å; T14-K16 PolarHBondContact O-N 3.03Å
15	P	27.7	Very low	31.3	Very low	108 Å²	108	155.6 Å²	155.6	70%	0.701	76%	0.763	S	S	*	*			trans	-59.8	121.5	173.7	-12.4	26.6	0	0	0	105.4	T13 R17	T13-P15 WeakPolarHBondContact O-CD 3.21Å; T13-P15 VanDerWaalsContact O-N 3.15Å; P15-R17 PolarHBondContact O-N 2.81Å
16	K	29.8	Very low	31.8	Very low	195 Å²	195	155.4 Å²	155.4	85%	0.848	75%	0.753	S	S	*	*			trans	-62.5	69	162.5	-73	-177.9	177.6	178.5	0	107.6	T14 F18	T14-K16 PolarHBondContact O-N 3.03Å; K16-F18 VanDerWaalsContact C-N 3.34Å; K16-F18 PolarHBondContact O-N 2.88Å
17	R	31.5	Very low	32.4	Very low	213 Å²	213	158.2 Å²	158.2	80%	0.804	75%	0.753	S	S	*	*			trans	-66.4	106.7	161.6	-96.1	-175.6	171.9	179.3	-2.2	104	P15 L19	P15-R17 PolarHBondContact O-N 2.81Å; R17-L19 PolarHBondContact O-N 2.88Å
18	F	30.8	Very low	33.6	Very low	197 Å²	197	159.8 Å²	159.8	86%	0.864	75%	0.751	S	S	*	*			trans	-54	72.2	160.5	-77.4	-98.4	0	0	0	109.1	K16 K20	K16-F18 VanDerWaalsContact C-N 3.34Å; K16-F18 PolarHBondContact O-N 2.88Å; F18-K20 PolarHBondContact O-N 2.63Å
19	L	32.1	Very low	35.4	Very low	140 Å²	140	154.5 Å²	154.5	73%	0.733	74%	0.736	S	S	*	*			trans	-69.7	92.6	156.7	-84.3	151.5	0	0	0	103.7	R17 H21	R17-L19 PolarHBondContact O-N 2.88Å; L19-H21 VanDerWaalsContact C-N 3.29Å; L19-H21 PolarHBondContact O-N 3.32Å
20	K	34.5	Very low	37.7	Very low	192 Å²	192	151.3 Å²	151.3	84%	0.835	72%	0.718	S	S	*	*			trans	-41.7	106.5	157.4	-81.3	-179.8	174.8	178.4	0	105.3	F18 K22	F18-K20 PolarHBondContact O-N 2.63Å; K20-K22 PolarHBondContact O-N 3.46Å
21	H	33.6	Very low	40.4	Very low	182 Å²	182	142 Å²	142	84%	0.843	69%	0.686	S	S	*	*			trans	-63.7	87.1	169.7	-94.6	10	0	0	0	105.1	L19 R23	L19-H21 VanDerWaalsContact C-N 3.29Å; L19-H21 PolarHBondContact O-N 3.32Å; H21-R23 PolarHBondContact O-N 2.97Å
22	K	31.9	Very low	43.4	Very low	150 Å²	150	135.8 Å²	135.8	65%	0.652	65%	0.654	S	S	*	*			trans	-53.1	127.9	160	-85.6	-165.8	170	-162.9	0	105.5	K20 D26	K20-K22 PolarHBondContact O-N 3.46Å; K22-D26 HydrophobicContact CB-CB 4.05Å; K22-D26 HydrophobicContact CD-CB 4.14Å; K22-D26 HydrophobicContact CG-CB 4.48Å
23	R	32.8	Very low	46.2	Very low	185 Å²	185	135.3 Å²	135.3	70%	0.698	65%	0.649	S	S	*	*			trans	-52.9	149.2	-178.2	-65.7	178.4	-176.5	178.6	1.3	108.4	H21 E25 D26	H21-R23 PolarHBondContact O-N 2.97Å; R23-E25 PolarHBondContact O-N 2.99Å; R23-D26 WeakPolarHBondContact O-CB 3.5Å; R23-D26 PolarHBondContact O-N 3.02Å
24	P	39.9	Very low	49.2	Very low	119 Å²	119	132.7 Å²	132.7	77%	0.773	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-50.2	-30.6	177.6	-26.2	34.1	0	0	0	113.1	D26 R27	P24-D26 PolarHBondContact O-N 3.34Å; P24-R27 PolarHBondContact O-N 2.9Å
25	E	39.6	Very low	52.5	Low	166 Å²	166	127.4 Å²	127.4	78%	0.776	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-61.4	-24.4	177	-60.1	178.2	-167.2	0	0	114	R23	R23-E25 PolarHBondContact O-N 2.99Å
26	D	43.7	Very low	55.7	Low	104 Å²	104	122.9 Å²	122.9	56%	0.556	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-84.7	-4.7	178.6	-92.8	-8.4	0	0	0	113.7	K22 R23 P24 M28	K22-D26 HydrophobicContact CB-CB 4.05Å; K22-D26 HydrophobicContact CD-CB 4.14Å; K22-D26 HydrophobicContact CG-CB 4.48Å; R23-D26 WeakPolarHBondContact O-CB 3.5Å; R23-D26 PolarHBondContact O-N 3.02Å; P24-D26 PolarHBondContact O-N 3.34Å; D26-M28 VanDerWaalsContact C-N 3.3Å; D26-M28 PolarHBondContact O-N 2.84Å
27	R	46.8	Very low	58.9	Low	211 Å²	211	113.6 Å²	113.6	80%	0.796	53%	0.533	S	S	*	.			trans	-92.7	62.6	173.9	-68.6	-171.9	-176.9	-175.5	2.1	110	P24 I29	P24-R27 PolarHBondContact O-N 2.9Å; R27-I29 PolarHBondContact O-N 3.42Å
28	M	54	Low	61.9	Low	144 Å²	144	104.2 Å²	104.2	71%	0.709	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-55.5	116.4	166.3	-70.3	-175	70.8	0	0	108.5	D26	D26-M28 VanDerWaalsContact C-N 3.3Å; D26-M28 PolarHBondContact O-N 2.84Å
29	I	67.6	Low	65	Low	95 Å²	95	94.9 Å²	94.9	49%	0.487	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-64.6	129.6	175.1	-64.4	173.7	0	0	0	105.8	R27 D152	R27-I29 PolarHBondContact O-N 3.42Å; I29-D152 HydrophobicContact CB-CB 4.07Å
30	P	77.5	Confident	67.9	Low	53 Å²	53	88.2 Å²	88.2	34%	0.344	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-56.7	142	179.6	20.3	-30.2	0	0	0	110.5
31	P	84.8	Confident	70.7	Confident	23 Å²	23	79.1 Å²	79.1	15%	0.149	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-52	143.5	173.7	-29.9	37.2	0	0	0	111.7	H33 F196 R197	P31-H33 PolarHBondContact O-N 3.15Å; P31-F196 HydrophobicContact CB-CB 3.9Å; P31-F196 WeakPolarHBondContact CB-O 3.39Å; P31-F196 HydrophobicContact CG-CB 3.64Å; P31-R197 WeakPolarHBondContact CG-O 3.5Å
32	P	89.4	Confident	73.5	Confident	14 Å²	14	70.5 Å²	70.5	9%	0.091	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-66.7	137.2	-171.5	26.5	-34.4	0	0	0	111.7	S34 I35 T55 A153 R406	P32-S34 VanDerWaalsContact C-N 3.32Å; P32-I35 HydrophobicContact CB-CG1 4.43Å; P32-I35 HydrophobicContact CG-CD1 4.06Å; P32-I35 HydrophobicContact CG-CG1 3.97Å; P32-T55 HydrophobicContact CB-CG2 4.44Å; P32-T55 HydrophobicContact CG-CG2 3.99Å; P32-A153 HydrophobicContact CG-CB 3.79Å; P32-R406 PolarHBondContact O-NH1 3.35Å
33	H	86.9	Confident	76.3	Confident	129 Å²	129	64 Å²	64	60%	0.597	32%	0.32	S	S	*	.	S	Bend	trans	-78.6	-19.2	177.5	-70.2	69.8	0	0	0	112.6	P31 R406	P31-H33 PolarHBondContact O-N 3.15Å; H33-R406 WeakPolarHBondContact O-CB 3.4Å
34	S	91.4	Very high	79	Confident	56 Å²	56	57.9 Å²	57.9	39%	0.392	30%	0.297	S	S	.	.			trans	-124.7	131.3	178.9	-178.7	0	0	0	0	108.7	P32 T55	P32-S34 VanDerWaalsContact C-N 3.32Å; S34-T55 CarbonylContact O-C 3.4Å; S34-T55 WeakPolarHBondContact O-CA 3.2Å
35	I	95.3	Very high	81.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	124.5	172.1	-57.1	176.6	0	0	0	106.3	P32 I53 D54 T55 F154 P195 L405 R406	P32-I35 HydrophobicContact CB-CG1 4.43Å; P32-I35 HydrophobicContact CG-CD1 4.06Å; P32-I35 HydrophobicContact CG-CG1 3.97Å; I35-I53 HydrophobicContact CG2-CG2 4.03Å; I35-D54 WeakPolarHBondContact CA-O 3.41Å; I35-T55 HydrophobicContact CG1-CG2 4.37Å; I35-F154 HydrophobicContact CD1-CE1 4.02Å; I35-F154 HydrophobicContact CD1-CZ 4.04Å; I35-F154 HydrophobicContact CG2-CE1 4.42Å; I35-F154 HydrophobicContact CG2-CZ 3.99Å; I35-P195 HydrophobicContact CD1-CB 3.49Å; I35-P195 VanDerWaalsContact CD1-CB 3.49Å; I35-P195 HydrophobicContact CD1-CG 4.05Å; I35-L405 HydrophobicContact CB-CB 4.11Å; I35-L405 HydrophobicContact CB-CD2 4.11Å; I35-L405 HydrophobicContact CD1-CD2 4.26Å; I35-L405 HydrophobicContact CG2-CB 4.13Å; I35-L405 HydrophobicContact CG2-CD2 3.76Å; I35-L405 WeakPolarHBondContact O-CA 3.36Å; I35-L405 WeakPolarHBondContact O-CB 3.07Å; I35-L405 PolarHBondContact O-N 3.28Å; I35-R406 PolarHBondContact N-O 3.29Å; I35-R406 PolarHBondContact O-N 2.97Å; I35-R406 VanDerWaalsContact O-N 3.1Å
36	S	95.4	Very high	83.2	Confident	13 Å²	13	47.3 Å²	47.3	9%	0.091	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.2	176.3	61.1	0	0	0	0	110.5	I53 D54 Q402 F403	S36-I53 WeakPolarHBondContact O-CA 3.48Å; S36-D54 PolarHBondContact N-O 3.31Å; S36-D54 PolarHBondContact O-N 3.24Å; S36-Q402 PolarHBondContact OG-NE2 3.35Å; S36-F403 CarbonylContact C-O 3.05Å; S36-F403 WeakPolarHBondContact CA-O 3.32Å
37	L	97.1	Very high	85.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.7	171.8	-53	79.9	0	0	0	109.3	M51 L52 I53 M254 F256 L293 V295 Q402 F403 L405	L37-M51 HydrophobicContact CB-CE 3.7Å; L37-M51 HydrophobicContact CD2-CE 4.31Å; L37-L52 CarbonylContact C-O 3.41Å; L37-L52 VanDerWaalsContact CA-O 3.28Å; L37-L52 WeakPolarHBondContact CA-O 3.38Å; L37-I53 HydrophobicContact CD2-CG1 4.42Å; L37-I53 HydrophobicContact CG-CG1 4.3Å; L37-M254 HydrophobicContact CD1-SD 3.49Å; L37-M254 WeakPolarHBondContact CD1-SD 3.45Å; L37-M254 HydrophobicContact CD2-SD 3.68Å; L37-M254 HydrophobicContact CG-SD 3.82Å; L37-F256 HydrophobicContact CD2-CE1 4.41Å; L37-F256 HydrophobicContact CD2-CZ 3.73Å; L37-L293 HydrophobicContact CD1-CD2 3.99Å; L37-L293 HydrophobicContact CD2-CD2 3.63Å; L37-L293 HydrophobicContact CG-CD2 4.39Å; L37-V295 HydrophobicContact CD2-CG2 4.33Å; L37-Q402 CarbonylContact O-C 3.5Å; L37-Q402 WeakPolarHBondContact O-CA 3.49Å; L37-Q402 VanDerWaalsContact O-CG 3.26Å; L37-Q402 WeakPolarHBondContact O-CG 3.31Å; L37-F403 HydrophobicContact CD1-CB 4.34Å; L37-F403 HydrophobicContact CD1-CD1 3.97Å; L37-F403 PolarHBondContact N-O 3.37Å; L37-F403 PolarHBondContact O-N 3.41Å; L37-L405 HydrophobicContact CD1-CB 4.49Å
38	T	95.6	Very high	87.2	Confident	16 Å²	16	33.9 Å²	33.9	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.1	179.2	-61.6	0	0	0	0	109.3	V40 L52 M77 Y400	T38-V40 PolarHBondContact O-N 3.09Å; T38-L52 PolarHBondContact N-O 3.17Å; T38-L52 PolarHBondContact O-N 3.46Å; T38-M77 HydrophobicContact CG2-SD 4.5Å; T38-Y400 HydrophobicContact CG2-CD1 4.16Å
39	V	95.4	Very high	89.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	117	170.3	178.9	0	0	0	0	108.6	N42 M51 L335 L337 A397 E398 Y400 L401	V39-N42 HydrophobicContact CG1-CB 4.08Å; V39-M51 VanDerWaalsContact CA-SD 3.53Å; V39-M51 HydrophobicContact CB-SD 4.06Å; V39-M51 HydrophobicContact CG2-CE 4.24Å; V39-M51 HydrophobicContact CG2-SD 3.59Å; V39-M51 VanDerWaalsContact CG2-SD 3.59Å; V39-L335 HydrophobicContact CG2-CD1 4.49Å; V39-L335 HydrophobicContact CG2-CD2 4.06Å; V39-L337 HydrophobicContact CG1-CD2 4.36Å; V39-A397 HydrophobicContact CG1-CB 4.16Å; V39-A397 HydrophobicContact CG2-CB 3.86Å; V39-E398 WeakPolarHBondContact CB-O 3.26Å; V39-E398 WeakPolarHBondContact CG1-O 3.49Å; V39-Y400 WeakPolarHBondContact O-CA 3.37Å; V39-Y400 PolarHBondContact O-N 2.68Å; V39-L401 HydrophobicContact CG2-CB 4.07Å; V39-L401 PolarHBondContact N-O 3.18Å
40	V	93.2	Very high	90.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-55.8	176.2	174.3	0	0	0	0	108.2	T38 S50 L52 L61 T68 V71 M77	T38-V40 PolarHBondContact O-N 3.09Å; V40-S50 WeakPolarHBondContact CB-OG 3.47Å; V40-S50 WeakPolarHBondContact CG1-OG 3.35Å; V40-S50 PolarHBondContact N-O 3.2Å; V40-L52 HydrophobicContact CG2-CB 3.52Å; V40-L61 HydrophobicContact CG2-CD1 4.29Å; V40-T68 HydrophobicContact CG1-CG2 3.97Å; V40-V71 HydrophobicContact CB-CG1 4.37Å; V40-V71 HydrophobicContact CG1-CB 4.27Å; V40-V71 HydrophobicContact CG1-CG1 3.55Å; V40-V71 WeakPolarHBondContact O-CG1 3.36Å; V40-M77 HydrophobicContact CG2-CE 4.02Å
41	G	92.2	Very high	91.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.8	172.3	0	0	0	0	0	110.1	S48 K49 S50 L337	G41-S48 CarbonylContact C-O 3.52Å; G41-S48 WeakPolarHBondContact CA-O 3.3Å; G41-K49 CarbonylContact O-C 3.5Å; G41-K49 WeakPolarHBondContact O-CA 3.4Å; G41-S50 PolarHBondContact N-O 3.08Å; G41-S50 VanDerWaalsContact N-O 3.12Å; G41-S50 PolarHBondContact N-OG 2.83Å; G41-S50 VanDerWaalsContact N-OG 3.15Å; G41-S50 PolarHBondContact O-N 3.44Å; G41-L337 WeakPolarHBondContact O-CD2 2.9Å
42	N	92.2	Very high	91.9	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-5	179.5	68.9	-11.9	0	0	0	113.3	V39 R44 G339 A397	V39-N42 HydrophobicContact CG1-CB 4.08Å; N42-R44 WeakPolarHBondContact OD1-CB 3.49Å; N42-R44 PolarHBondContact OD1-N 2.67Å; N42-R44 VanDerWaalsContact OD1-N 3.11Å; N42-G339 VanDerWaalsContact O-CA 3.23Å; N42-G339 WeakPolarHBondContact O-CA 3.29Å; N42-G339 PolarHBondContact O-N 3.18Å; N42-A397 HydrophobicContact CB-CB 4.27Å; N42-A397 WeakPolarHBondContact CB-O 3.23Å; N42-A397 PolarHBondContact ND2-O 3.28Å
43	G	91.1	Very high	92.3	Very high	13 Å²	13	20.7 Å²	20.7	13%	0.134	12%	0.122	C	C	.	.			trans	86.1	12.6	-179.1	0	0	0	0	0	116.3	S47 S48 K49 G339	G43-S47 CarbonylContact C-O 3.52Å; G43-S47 WeakPolarHBondContact CA-O 3.13Å; G43-S48 WeakPolarHBondContact CA-O 3.33Å; G43-S48 PolarHBondContact N-O 2.97Å; G43-K49 VanDerWaalsContact CA-CG 3.44Å; G43-G339 VanDerWaalsContact O-CA 3.29Å; G43-G339 WeakPolarHBondContact O-CA 3.45Å
44	R	89.9	Confident	92.6	Very high	57 Å²	57	15.7 Å²	15.7	22%	0.215	10%	0.1	C	C	.	.			trans	-57	151.8	170	-177.4	177.7	171.3	118.1	-10.4	109.4	N42 G46 S47 G339 G341 D370	N42-R44 WeakPolarHBondContact OD1-CB 3.49Å; N42-R44 PolarHBondContact OD1-N 2.67Å; N42-R44 VanDerWaalsContact OD1-N 3.11Å; R44-G46 PolarHBondContact O-N 3.04Å; R44-G46 VanDerWaalsContact O-N 3.14Å; R44-S47 WeakPolarHBondContact O-CA 3.45Å; R44-S47 WeakPolarHBondContact O-CB 3.33Å; R44-S47 PolarHBondContact O-N 3.03Å; R44-S47 VanDerWaalsContact O-O 3.1Å; R44-G339 WeakPolarHBondContact CA-O 3.24Å; R44-G341 PolarHBondContact NH1-O 3Å; R44-D370 IonicContact NH2-OD1 3.37Å; R44-D370 PolarHBondContact NH2-OD1 3.38Å; R44-D370 IonicContact NH2-OD2 2.78Å
45	A	85.6	Confident	92.7	Very high	44 Å²	44	13.3 Å²	13.3	36%	0.364	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	121.5	-178.4	0	0	0	0	0	112.7	Y510 V515	A45-Y510 HydrophobicContact CB-CD2 3.79Å; A45-Y510 HydrophobicContact CB-CE2 3.89Å; A45-V515 HydrophobicContact CB-CG1 4.4Å; A45-V515 HydrophobicContact CB-CG2 3.44Å; A45-V515 VanDerWaalsContact CB-CG2 3.44Å
46	G	82.1	Confident	92.4	Very high	19 Å²	19	15 Å²	15	20%	0.196	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-10.2	-174.7	0	0	0	0	0	115.6	R44 S507	R44-G46 PolarHBondContact O-N 3.04Å; R44-G46 VanDerWaalsContact O-N 3.14Å; G46-S507 WeakPolarHBondContact O-CB 3.25Å; G46-S507 PolarHBondContact O-OG 2.91Å
47	S	85.9	Confident	91.9	Very high	20 Å²	20	19.2 Å²	19.2	14%	0.14	13%	0.125	C	C	.	.	S	Bend	trans	-109.8	145	173.5	-168.8	0	0	0	0	110.6	G43 R44 D345	G43-S47 CarbonylContact C-O 3.52Å; G43-S47 WeakPolarHBondContact CA-O 3.13Å; R44-S47 WeakPolarHBondContact O-CA 3.45Å; R44-S47 WeakPolarHBondContact O-CB 3.33Å; R44-S47 PolarHBondContact O-N 3.03Å; R44-S47 VanDerWaalsContact O-O 3.1Å; S47-D345 PolarHBondContact OG-OD2 3.27Å
48	S	88.2	Confident	91.6	Very high	13 Å²	13	19.7 Å²	19.7	9%	0.091	13%	0.128	C	C	.	.			trans	-82.2	168.1	176.7	60.9	0	0	0	0	111.9	G41 G43 G65 E66 T68	G41-S48 CarbonylContact C-O 3.52Å; G41-S48 WeakPolarHBondContact CA-O 3.3Å; G43-S48 WeakPolarHBondContact CA-O 3.33Å; G43-S48 PolarHBondContact N-O 2.97Å; S48-G65 WeakPolarHBondContact OG-CA 3.48Å; S48-G65 PolarHBondContact OG-N 3.25Å; S48-G65 PolarHBondContact OG-O 3.33Å; S48-E66 PolarHBondContact OG-O 3.06Å; S48-T68 PolarHBondContact OG-OG1 3.18Å
49	K	94.2	Very high	91.5	Very high	48 Å²	48	20.2 Å²	20.2	21%	0.209	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	104.3	171.5	-71.1	177.7	173.8	62.8	0	108.8	G41 G43 N63 F297 T298 L337	G41-K49 CarbonylContact O-C 3.5Å; G41-K49 WeakPolarHBondContact O-CA 3.4Å; G43-K49 VanDerWaalsContact CA-CG 3.44Å; K49-N63 WeakPolarHBondContact O-CB 3.3Å; K49-F297 HydrophobicContact CB-CD1 3.79Å; K49-F297 HydrophobicContact CB-CE1 4.34Å; K49-F297 HydrophobicContact CD-CB 4.36Å; K49-T298 WeakPolarHBondContact CE-O 3.39Å; K49-L337 WeakPolarHBondContact CD-O 3.38Å; K49-L337 WeakPolarHBondContact CE-O 3.43Å; K49-L337 HydrophobicContact CG-CB 4.47Å
50	S	95.5	Very high	91.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.4	-174.4	57.8	0	0	0	0	113.2	V40 G41 V62 N63	V40-S50 WeakPolarHBondContact CB-OG 3.47Å; V40-S50 WeakPolarHBondContact CG1-OG 3.35Å; V40-S50 PolarHBondContact N-O 3.2Å; G41-S50 PolarHBondContact N-O 3.08Å; G41-S50 VanDerWaalsContact N-O 3.12Å; G41-S50 PolarHBondContact N-OG 2.83Å; G41-S50 VanDerWaalsContact N-OG 3.15Å; G41-S50 PolarHBondContact O-N 3.44Å; S50-V62 VanDerWaalsContact CA-O 3.3Å; S50-V62 WeakPolarHBondContact CA-O 3.41Å; S50-N63 VanDerWaalsContact CB-O 3.24Å; S50-N63 WeakPolarHBondContact CB-O 3.23Å
51	M	96.7	Very high	91.7	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145	-177.5	-71.1	-68.1	-61.7	0	0	110.8	L37 V39 L61 V62 F256 V295 F297 L335 L337	L37-M51 HydrophobicContact CB-CE 3.7Å; L37-M51 HydrophobicContact CD2-CE 4.31Å; V39-M51 VanDerWaalsContact CA-SD 3.53Å; V39-M51 HydrophobicContact CB-SD 4.06Å; V39-M51 HydrophobicContact CG2-CE 4.24Å; V39-M51 HydrophobicContact CG2-SD 3.59Å; V39-M51 VanDerWaalsContact CG2-SD 3.59Å; M51-L61 CarbonylContact O-C 3.48Å; M51-L61 WeakPolarHBondContact O-CA 3.32Å; M51-V62 HydrophobicContact CB-CB 4.33Å; M51-V62 PolarHBondContact N-O 3.23Å; M51-V62 PolarHBondContact O-N 2.91Å; M51-F256 HydrophobicContact CB-CE1 3.96Å; M51-F256 HydrophobicContact CG-CE1 4.14Å; M51-V295 HydrophobicContact CG-CG1 3.91Å; M51-F297 HydrophobicContact CG-CE1 4.15Å; M51-F297 HydrophobicContact CG-CZ 4.14Å; M51-L335 HydrophobicContact CE-CD2 3.61Å; M51-L335 HydrophobicContact SD-CD2 3.99Å; M51-L337 HydrophobicContact CG-CD1 4.38Å; M51-L337 HydrophobicContact CG-CD2 4.07Å; M51-L337 HydrophobicContact SD-CD1 4.1Å; M51-L337 HydrophobicContact SD-CD2 3.96Å
52	L	96.1	Very high	92	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.6	173.8	-175.1	73.1	0	0	0	110.2	L37 T38 V40 R59 L61 M77 I82	L37-L52 CarbonylContact C-O 3.41Å; L37-L52 VanDerWaalsContact CA-O 3.28Å; L37-L52 WeakPolarHBondContact CA-O 3.38Å; T38-L52 PolarHBondContact N-O 3.17Å; T38-L52 PolarHBondContact O-N 3.46Å; V40-L52 HydrophobicContact CG2-CB 3.52Å; L52-R59 HydrophobicContact CD1-CB 3.95Å; L52-R59 HydrophobicContact CD1-CG 4.44Å; L52-L61 HydrophobicContact CD1-CB 4.49Å; L52-L61 HydrophobicContact CD1-CD1 4.11Å; L52-M77 HydrophobicContact CB-CE 4.5Å; L52-M77 HydrophobicContact CD2-CE 3.39Å; L52-M77 HydrophobicContact CD2-SD 3.75Å; L52-I82 HydrophobicContact CD1-CD1 4.5Å; L52-I82 HydrophobicContact CD1-CG1 4.39Å
53	I	97.1	Very high	92.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.1	169.3	-46.7	173.5	0	0	0	107.5	I35 S36 L37 R59 Y60 V62 F154 F193 M254 F256	I35-I53 HydrophobicContact CG2-CG2 4.03Å; S36-I53 WeakPolarHBondContact O-CA 3.48Å; L37-I53 HydrophobicContact CD2-CG1 4.42Å; L37-I53 HydrophobicContact CG-CG1 4.3Å; I53-R59 VanDerWaalsContact O-CA 3.25Å; I53-R59 WeakPolarHBondContact O-CA 3.48Å; I53-Y60 HydrophobicContact CB-CD2 4.26Å; I53-Y60 HydrophobicContact CG2-CD2 4.44Å; I53-Y60 PolarHBondContact N-O 2.98Å; I53-Y60 PolarHBondContact O-N 3.4Å; I53-V62 HydrophobicContact CD1-CG2 4.32Å; I53-F154 HydrophobicContact CG2-CE2 4.33Å; I53-F154 HydrophobicContact CG2-CZ 3.89Å; I53-F193 HydrophobicContact CD1-CD1 4.02Å; I53-F193 HydrophobicContact CD1-CE1 3.85Å; I53-F193 HydrophobicContact CD1-CE2 4.48Å; I53-F193 HydrophobicContact CD1-CG 4.44Å; I53-F193 HydrophobicContact CD1-CZ 4.09Å; I53-M254 HydrophobicContact CD1-CE 4.06Å; I53-M254 HydrophobicContact CG2-CE 4.4Å; I53-F256 HydrophobicContact CD1-CE2 3.86Å; I53-F256 HydrophobicContact CD1-CZ 3.77Å; I53-F256 HydrophobicContact CG1-CZ 4.12Å
54	D	94.9	Very high	92.3	Very high	25 Å²	25	19.7 Å²	19.7	13%	0.134	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.4	178.1	-164.4	-17	0	0	0	110.2	I35 S36 G56 R59	I35-D54 WeakPolarHBondContact CA-O 3.41Å; S36-D54 PolarHBondContact N-O 3.31Å; S36-D54 PolarHBondContact O-N 3.24Å; D54-G56 WeakPolarHBondContact OD1-CA 3.49Å; D54-G56 PolarHBondContact OD1-N 2.91Å; D54-R59 HydrophobicContact CB-CG 4.17Å; D54-R59 IonicContact OD1-NE 3.93Å; D54-R59 IonicContact OD2-CZ 2.63Å; D54-R59 IonicContact OD2-NE 2.77Å; D54-R59 PolarHBondContact OD2-NE 3.47Å; D54-R59 IonicContact OD2-NH2 2.84Å; D54-R59 PolarHBondContact OD2-NH2 3.33Å
55	T	93.6	Very high	92.5	Very high	6 Å²	6	17 Å²	17	4%	0.037	11%	0.112	C	C	.	.			trans	-101.3	5.9	175.7	65.9	0	0	0	0	112.9	P32 S34 I35 V57 C58 Y60 A153 F154	P32-T55 HydrophobicContact CB-CG2 4.44Å; P32-T55 HydrophobicContact CG-CG2 3.99Å; S34-T55 CarbonylContact O-C 3.4Å; S34-T55 WeakPolarHBondContact O-CA 3.2Å; I35-T55 HydrophobicContact CG1-CG2 4.37Å; T55-V57 PolarHBondContact O-N 2.89Å; T55-V57 VanDerWaalsContact O-N 3.15Å; T55-V57 WeakPolarHBondContact OG1-CG2 3.21Å; T55-C58 PolarHBondContact N-O 3.31Å; T55-C58 PolarHBondContact OG1-N 2.99Å; T55-C58 VanDerWaalsContact OG1-N 3.08Å; T55-C58 PolarHBondContact OG1-O 3.2Å; T55-Y60 HydrophobicContact CG2-CD2 4.41Å; T55-Y60 HydrophobicContact CG2-CE2 3.73Å; T55-A153 HydrophobicContact CG2-CB 4.2Å; T55-F154 HydrophobicContact CG2-CE2 3.56Å; T55-F154 HydrophobicContact CG2-CZ 3.85Å
56	G	87.5	Confident	92.7	Very high	34 Å²	34	15.4 Å²	15.4	35%	0.351	10%	0.097	S	C	.	.	S	Bend	trans	82.3	-35.9	-171.8	0	0	0	0	0	113.3	D54 R81	D54-G56 WeakPolarHBondContact OD1-CA 3.49Å; D54-G56 PolarHBondContact OD1-N 2.91Å; G56-R81 PolarHBondContact O-NH1 2.98Å
57	V	84.8	Confident	92.9	Very high	103 Å²	103	14.6 Å²	14.6	62%	0.624	9%	0.088	S	C	*	.	S	Bend	trans	-101	-36.3	179.4	-64.9	0	0	0	0	113	T55	T55-V57 PolarHBondContact O-N 2.89Å; T55-V57 VanDerWaalsContact O-N 3.15Å; T55-V57 WeakPolarHBondContact OG1-CG2 3.21Å
58	C	91.6	Very high	93.2	Very high	10 Å²	10	13.7 Å²	13.7	7%	0.068	8%	0.082	C	C	.	.			trans	-133.7	151.9	-177.1	-170.1	0	0	0	0	110.1	T55 Y60	T55-C58 PolarHBondContact N-O 3.31Å; T55-C58 PolarHBondContact OG1-N 2.99Å; T55-C58 VanDerWaalsContact OG1-N 3.08Å; T55-C58 PolarHBondContact OG1-O 3.2Å; C58-Y60 HydrophobicContact CB-CE2 3.92Å
59	R	94.4	Very high	93.2	Very high	26 Å²	26	14 Å²	14	10%	0.098	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.3	174.8	-70.9	175.9	175.9	167.5	-8.6	111.6	L52 I53 D54 K78 R81 I82 Q83	L52-R59 HydrophobicContact CD1-CB 3.95Å; L52-R59 HydrophobicContact CD1-CG 4.44Å; I53-R59 VanDerWaalsContact O-CA 3.25Å; I53-R59 WeakPolarHBondContact O-CA 3.48Å; D54-R59 HydrophobicContact CB-CG 4.17Å; D54-R59 IonicContact OD1-NE 3.93Å; D54-R59 IonicContact OD2-CZ 2.63Å; D54-R59 IonicContact OD2-NE 2.77Å; D54-R59 PolarHBondContact OD2-NE 3.47Å; D54-R59 IonicContact OD2-NH2 2.84Å; D54-R59 PolarHBondContact OD2-NH2 3.33Å; R59-K78 VanDerWaalsContact NH1-N 3.11Å; R59-K78 PolarHBondContact NH1-O 3.26Å; R59-R81 HydrophobicContact CB-CB 4.42Å; R59-R81 HydrophobicContact CG-CB 4.07Å; R59-R81 PolarHBondContact N-O 3.36Å; R59-I82 HydrophobicContact CB-CG1 4.08Å; R59-Q83 PolarHBondContact O-N 2.91Å; R59-Q83 VanDerWaalsContact O-N 3.1Å
60	Y	96.4	Very high	93	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.016	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120	-177.7	-46.2	-107.4	0	0	0	107.3	I53 T55 C58 H84 F86 D151 F154	I53-Y60 HydrophobicContact CB-CD2 4.26Å; I53-Y60 HydrophobicContact CG2-CD2 4.44Å; I53-Y60 PolarHBondContact N-O 2.98Å; I53-Y60 PolarHBondContact O-N 3.4Å; T55-Y60 HydrophobicContact CG2-CD2 4.41Å; T55-Y60 HydrophobicContact CG2-CE2 3.73Å; C58-Y60 HydrophobicContact CB-CE2 3.92Å; Y60-H84 WeakPolarHBondContact CA-O 3.29Å; Y60-H84 HydrophobicContact CD1-CB 3.52Å; Y60-H84 AromaticContact CD1-CD2 3.59Å; Y60-H84 AromaticContact CD1-CG 3.6Å; Y60-H84 HydrophobicContact CE1-CB 4.24Å; Y60-H84 AromaticContact CE1-CD2 3.4Å; Y60-H84 VanDerWaalsContact CE1-CD2 3.4Å; Y60-H84 WeakPolarHBondContact CE1-CD2 3.46Å; Y60-H84 AromaticContact CE1-CG 3.81Å; Y60-H84 HydrophobicContact CG-CB 4.2Å; Y60-F86 AromaticContact CD1-CE2 3.99Å; Y60-F86 HydrophobicContact CD1-CE2 3.99Å; Y60-D151 VanDerWaalsContact CE1-OD2 3.23Å; Y60-D151 WeakPolarHBondContact CE1-OD2 3.28Å; Y60-D151 VanDerWaalsContact CZ-OD2 3.32Å; Y60-D151 PolarHBondContact OH-OD2 3.4Å; Y60-F154 AromaticContact CD2-CE2 3.95Å; Y60-F154 HydrophobicContact CD2-CE2 3.95Å; Y60-F154 HydrophobicContact CE1-CD2 4.05Å; Y60-F154 HydrophobicContact CE1-CE2 4.4Å; Y60-F154 HydrophobicContact CE2-CD2 4.01Å; Y60-F154 AromaticContact CE2-CE2 3.56Å; Y60-F154 HydrophobicContact CE2-CE2 3.56Å; Y60-F154 AromaticContact CZ-CD2 3.74Å; Y60-F154 AromaticContact CZ-CE2 3.8Å
61	L	96.4	Very high	92.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.8	177.7	-171.2	70.6	0	0	0	108.5	V40 M51 L52 N63 C64 T68 I82 H84 V85 F86	V40-L61 HydrophobicContact CG2-CD1 4.29Å; M51-L61 CarbonylContact O-C 3.48Å; M51-L61 WeakPolarHBondContact O-CA 3.32Å; L52-L61 HydrophobicContact CD1-CB 4.49Å; L52-L61 HydrophobicContact CD1-CD1 4.11Å; L61-N63 WeakPolarHBondContact CG-O 3.24Å; L61-C64 HydrophobicContact CD2-CB 3.6Å; L61-C64 VanDerWaalsContact CD2-SG 3.52Å; L61-T68 HydrophobicContact CD1-CG2 4.42Å; L61-T68 HydrophobicContact CD2-CG2 4.08Å; L61-I82 HydrophobicContact CB-CG2 4.39Å; L61-H84 PolarHBondContact N-O 3.18Å; L61-V85 HydrophobicContact CB-CG2 4.31Å; L61-V85 HydrophobicContact CD2-CG1 4.5Å; L61-V85 HydrophobicContact CD2-CG2 4.5Å; L61-V85 CarbonylContact O-C 3.52Å; L61-V85 VanDerWaalsContact O-CA 3.25Å; L61-V85 WeakPolarHBondContact O-CA 3.41Å; L61-F86 PolarHBondContact O-N 3.25Å
62	V	97.3	Very high	92.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117	171.4	-172.6	0	0	0	0	107.7	S50 M51 I53 F86 T88 F256 F297	S50-V62 VanDerWaalsContact CA-O 3.3Å; S50-V62 WeakPolarHBondContact CA-O 3.41Å; M51-V62 HydrophobicContact CB-CB 4.33Å; M51-V62 PolarHBondContact N-O 3.23Å; M51-V62 PolarHBondContact O-N 2.91Å; I53-V62 HydrophobicContact CD1-CG2 4.32Å; V62-F86 CarbonylContact C-O 3.58Å; V62-F86 WeakPolarHBondContact CA-O 3.24Å; V62-F86 HydrophobicContact CG1-CB 4.45Å; V62-F86 HydrophobicContact CG2-CB 4.32Å; V62-T88 HydrophobicContact CG1-CG2 4.15Å; V62-F256 HydrophobicContact CB-CD1 4.05Å; V62-F256 HydrophobicContact CB-CE1 4.01Å; V62-F256 HydrophobicContact CG1-CB 4.33Å; V62-F256 HydrophobicContact CG1-CD1 3.72Å; V62-F256 HydrophobicContact CG1-CE1 4.21Å; V62-F256 HydrophobicContact CG1-CG 4.06Å; V62-F256 HydrophobicContact CG2-CD1 4.01Å; V62-F256 HydrophobicContact CG2-CD2 4.38Å; V62-F256 HydrophobicContact CG2-CE1 3.72Å; V62-F256 HydrophobicContact CG2-CE2 4.13Å; V62-F256 HydrophobicContact CG2-CG 4.32Å; V62-F256 HydrophobicContact CG2-CZ 3.78Å; V62-F297 HydrophobicContact CB-CZ 4.44Å; V62-F297 HydrophobicContact CG1-CE2 3.95Å; V62-F297 HydrophobicContact CG1-CZ 3.88Å
63	N	96.6	Very high	91.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	9%	0.091	C	C	.	.			trans	58.6	150	-165.4	-66	-24.6	0	0	0	114.4	K49 S50 L61 F86 T88	K49-N63 WeakPolarHBondContact O-CB 3.3Å; S50-N63 VanDerWaalsContact CB-O 3.24Å; S50-N63 WeakPolarHBondContact CB-O 3.23Å; L61-N63 WeakPolarHBondContact CG-O 3.24Å; N63-F86 PolarHBondContact N-O 2.84Å; N63-T88 VanDerWaalsContact CG-OG1 3.28Å; N63-T88 PolarHBondContact ND2-OG1 3.28Å; N63-T88 PolarHBondContact OD1-N 3.02Å; N63-T88 PolarHBondContact OD1-OG1 2.92Å
64	C	94.3	Very high	91	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.			trans	-149.7	70.5	-175.4	-169.7	0	0	0	0	110.7	L61 V85 C94 T95 S96 G97 L98	L61-C64 HydrophobicContact CD2-CB 3.6Å; L61-C64 VanDerWaalsContact CD2-SG 3.52Å; C64-V85 HydrophobicContact CB-CG1 4.14Å; C64-C94 CarbonylContact C-O 3.59Å; C64-C94 WeakPolarHBondContact CA-O 3.46Å; C64-C94 PolarHBondContact N-O 3.42Å; C64-T95 CarbonylContact O-C 3.59Å; C64-S96 PolarHBondContact O-N 3.19Å; C64-G97 WeakPolarHBondContact O-CA 3.23Å; C64-G97 PolarHBondContact O-N 3.07Å; C64-L98 HydrophobicContact CB-CB 4.43Å; C64-L98 PolarHBondContact O-N 2.83Å; C64-L98 VanDerWaalsContact SG-CA 3.54Å; C64-L98 PolarHBondContact SG-N 3.06Å
65	G	92.8	Very high	90.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.			trans	-85.8	-177.3	173.7	0	0	0	0	0	113	S48 T68 D93 S96 G97	S48-G65 WeakPolarHBondContact OG-CA 3.48Å; S48-G65 PolarHBondContact OG-N 3.25Å; S48-G65 PolarHBondContact OG-O 3.33Å; G65-T68 VanDerWaalsContact O-CB 3.28Å; G65-T68 WeakPolarHBondContact O-CB 3.49Å; G65-T68 PolarHBondContact O-N 2.8Å; G65-T68 PolarHBondContact O-OG1 3.33Å; G65-D93 WeakPolarHBondContact CA-O 3.22Å; G65-S96 VanDerWaalsContact CA-OG 3.31Å; G65-S96 WeakPolarHBondContact CA-OG 3.49Å; G65-G97 VanDerWaalsContact C-N 3.32Å; G65-G97 WeakPolarHBondContact O-CA 3.42Å
66	E	91	Very high	89.4	Confident	11 Å²	11	27.1 Å²	27.1	5%	0.051	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	154.9	-179.1	-66.8	-155.7	172.5	0	0	113.7	S48 T68 S96 E503 G504 T543	S48-E66 PolarHBondContact OG-O 3.06Å; E66-T68 PolarHBondContact O-N 3.41Å; E66-T68 VanDerWaalsContact O-N 3.11Å; E66-S96 WeakPolarHBondContact CG-OG 3.4Å; E66-S96 PolarHBondContact N-OG 2.82Å; E66-E503 VanDerWaalsContact CA-OE1 3.28Å; E66-E503 WeakPolarHBondContact CA-OE1 3.29Å; E66-E503 HydrophobicContact CB-CG 3.81Å; E66-E503 HydrophobicContact CG-CG 3.56Å; E66-G504 WeakPolarHBondContact OE2-CA 3.3Å; E66-G504 PolarHBondContact OE2-N 3.23Å; E66-T543 VanDerWaalsContact OE1-CB 3.26Å; E66-T543 WeakPolarHBondContact OE1-CB 3.44Å; E66-T543 PolarHBondContact OE1-OG1 3.3Å
67	S	85.9	Confident	89	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.014	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-8.4	-177.8	-57.9	0	0	0	0	114.8	Q69 R70 V71 R346 E503	S67-Q69 VanDerWaalsContact C-N 3.28Å; S67-Q69 PolarHBondContact O-N 3.29Å; S67-R70 WeakPolarHBondContact O-CB 3.4Å; S67-R70 PolarHBondContact O-N 3.43Å; S67-V71 VanDerWaalsContact O-CG2 3.29Å; S67-V71 WeakPolarHBondContact O-CG2 3.41Å; S67-V71 PolarHBondContact O-N 3.43Å; S67-R346 PolarHBondContact OG-NH2 3.02Å; S67-E503 PolarHBondContact N-OE1 2.9Å
68	T	92	Very high	88.6	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-52.8	-46.1	179.2	-65.5	0	0	0	0	111.5	V40 S48 L61 G65 E66 R70 V71 L72 V101	V40-T68 HydrophobicContact CG1-CG2 3.97Å; S48-T68 PolarHBondContact OG-OG1 3.18Å; L61-T68 HydrophobicContact CD1-CG2 4.42Å; L61-T68 HydrophobicContact CD2-CG2 4.08Å; G65-T68 VanDerWaalsContact O-CB 3.28Å; G65-T68 WeakPolarHBondContact O-CB 3.49Å; G65-T68 PolarHBondContact O-N 2.8Å; G65-T68 PolarHBondContact O-OG1 3.33Å; E66-T68 PolarHBondContact O-N 3.41Å; E66-T68 VanDerWaalsContact O-N 3.11Å; T68-R70 VanDerWaalsContact C-N 3.33Å; T68-R70 PolarHBondContact O-N 3.37Å; T68-V71 PolarHBondContact O-N 2.61Å; T68-L72 HydrophobicContact CG2-CD1 4.35Å; T68-L72 HydrophobicContact CG2-CG 4.43Å; T68-L72 VanDerWaalsContact O-CG 3.28Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 2.79Å; T68-V101 HydrophobicContact CG2-CG2 3.85Å
69	Q	88.9	Confident	88	Confident	21 Å²	21	28.2 Å²	28.2	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-58.7	-42	178.7	-173.2	-171.9	7.9	0	0	112.6	S67 L72 A73 G100 V101 T104 P478	S67-Q69 VanDerWaalsContact C-N 3.28Å; S67-Q69 PolarHBondContact O-N 3.29Å; Q69-L72 PolarHBondContact O-N 3.22Å; Q69-A73 PolarHBondContact O-N 3.35Å; Q69-A73 VanDerWaalsContact O-N 3.16Å; Q69-G100 PolarHBondContact NE2-O 3.33Å; Q69-V101 HydrophobicContact CB-CG2 4.27Å; Q69-T104 PolarHBondContact NE2-OG1 2.9Å; Q69-P478 HydrophobicContact CB-CG 4.4Å; Q69-P478 HydrophobicContact CG-CG 4.36Å
70	R	89	Confident	87.4	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-46.3	178.4	-175	-167.5	59.7	69.2	5.6	111.2	S67 T68 L72 A73 E74 D345 R346 P478	S67-R70 WeakPolarHBondContact O-CB 3.4Å; S67-R70 PolarHBondContact O-N 3.43Å; T68-R70 VanDerWaalsContact C-N 3.33Å; T68-R70 PolarHBondContact O-N 3.37Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 PolarHBondContact O-N 2.64Å; R70-A73 CarbonylContact O-C 3.56Å; R70-A73 WeakPolarHBondContact O-CA 3.11Å; R70-A73 WeakPolarHBondContact O-CB 2.89Å; R70-A73 PolarHBondContact O-N 2.79Å; R70-E74 PolarHBondContact O-N 3.29Å; R70-D345 IonicContact CZ-OD1 2.76Å; R70-D345 PolarHBondContact NH1-O 3.13Å; R70-D345 IonicContact NH1-OD1 2.78Å; R70-D345 VanDerWaalsContact NH2-CG 3.27Å; R70-D345 IonicContact NH2-OD1 2.62Å; R70-D345 PolarHBondContact NH2-OD1 3.37Å; R70-D345 IonicContact NH2-OD2 3.69Å; R70-D345 PolarHBondContact NH2-OD2 3.16Å; R70-R346 VanDerWaalsContact NH2-CZ 3.33Å; R70-R346 VanDerWaalsContact NH2-NE 3.14Å; R70-R346 VanDerWaalsContact NH2-NH2 3.17Å; R70-P478 HydrophobicContact CB-CB 3.84Å; R70-P478 HydrophobicContact CB-CG 3.75Å; R70-P478 HydrophobicContact CG-CB 4.03Å; R70-P478 HydrophobicContact CG-CG 4.46Å
71	V	89.3	Confident	87	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-40.3	178.5	168.5	0	0	0	0	110.8	V40 S67 T68 D345 Y400	V40-V71 HydrophobicContact CB-CG1 4.37Å; V40-V71 HydrophobicContact CG1-CB 4.27Å; V40-V71 HydrophobicContact CG1-CG1 3.55Å; V40-V71 WeakPolarHBondContact O-CG1 3.36Å; S67-V71 VanDerWaalsContact O-CG2 3.29Å; S67-V71 WeakPolarHBondContact O-CG2 3.41Å; S67-V71 PolarHBondContact O-N 3.43Å; T68-V71 PolarHBondContact O-N 2.61Å; V71-D345 HydrophobicContact CG2-CB 4.37Å; V71-D345 VanDerWaalsContact CG2-OD2 3.29Å; V71-D345 WeakPolarHBondContact CG2-OD2 3.19Å; V71-Y400 HydrophobicContact CG1-CE1 4.36Å; V71-Y400 WeakPolarHBondContact CG1-OH 3.34Å; V71-Y400 PolarHBondContact O-OH 3.34Å
72	L	87.9	Confident	86.8	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-41.3	171.9	-65.1	178	0	0	0	112.1	T68 Q69 R70 R76 M77 I82 V101	T68-L72 HydrophobicContact CG2-CD1 4.35Å; T68-L72 HydrophobicContact CG2-CG 4.43Å; T68-L72 VanDerWaalsContact O-CG 3.28Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 2.79Å; Q69-L72 PolarHBondContact O-N 3.22Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 PolarHBondContact O-N 2.64Å; L72-R76 PolarHBondContact O-N 3.21Å; L72-M77 HydrophobicContact CB-CB 4.49Å; L72-M77 HydrophobicContact CD2-CB 3.97Å; L72-M77 HydrophobicContact CD2-CE 3.37Å; L72-M77 PolarHBondContact O-N 2.73Å; L72-I82 HydrophobicContact CD1-CD1 3.63Å; L72-I82 HydrophobicContact CD2-CD1 4.49Å; L72-V101 HydrophobicContact CD1-CG2 4.23Å
73	A	82.8	Confident	86.5	Confident	44 Å²	44	37.7 Å²	37.7	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-69	-43	-180	0	0	0	0	0	113	Q69 R70 Y75 R76	Q69-A73 PolarHBondContact O-N 3.35Å; Q69-A73 VanDerWaalsContact O-N 3.16Å; R70-A73 CarbonylContact O-C 3.56Å; R70-A73 WeakPolarHBondContact O-CA 3.11Å; R70-A73 WeakPolarHBondContact O-CB 2.89Å; R70-A73 PolarHBondContact O-N 2.79Å; A73-Y75 PolarHBondContact O-N 2.68Å; A73-R76 PolarHBondContact O-N 2.88Å; A73-R76 VanDerWaalsContact O-N 3.16Å
74	E	83.3	Confident	86.4	Confident	10 Å²	10	38 Å²	38	5%	0.047	17%	0.174	C	C	.	.	H	α-helix	trans	-54.1	-40.7	179.9	174.8	77.4	-138.2	0	0	111.6	R70 G348 K480	R70-E74 PolarHBondContact O-N 3.29Å; E74-G348 PolarHBondContact OE1-N 3.16Å; E74-G348 PolarHBondContact OE2-N 2.97Å; E74-K480 WeakPolarHBondContact OE1-CE 3.23Å; E74-K480 IonicContact OE1-NZ 3.8Å; E74-K480 PolarHBondContact OE1-NZ 3.17Å; E74-K480 WeakPolarHBondContact OE2-CG 3.33Å; E74-K480 VanDerWaalsContact OE2-O 3.1Å
75	Y	77.1	Confident	86.4	Confident	72 Å²	72	38 Å²	38	28%	0.282	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	18.5	-175.9	-67	-107.9	0	0	0	112.9	A73 M77 Y400	A73-Y75 PolarHBondContact O-N 2.68Å; Y75-M77 PolarHBondContact O-N 3.21Å; Y75-Y400 AromaticContact CD1-CD1 3.6Å; Y75-Y400 HydrophobicContact CD1-CD1 3.6Å; Y75-Y400 HydrophobicContact CD1-CD2 4.09Å; Y75-Y400 AromaticContact CD1-CE1 3.64Å; Y75-Y400 HydrophobicContact CD1-CE1 3.64Å; Y75-Y400 HydrophobicContact CD1-CE2 4.19Å; Y75-Y400 AromaticContact CD1-CG 3.83Å; Y75-Y400 HydrophobicContact CD1-CG 3.83Å; Y75-Y400 AromaticContact CD1-CZ 3.95Å; Y75-Y400 HydrophobicContact CD2-CD1 4.02Å; Y75-Y400 HydrophobicContact CD2-CD2 4.17Å; Y75-Y400 AromaticContact CD2-CE1 3.21Å; Y75-Y400 HydrophobicContact CD2-CE1 3.21Å; Y75-Y400 AromaticContact CD2-CE2 3.45Å; Y75-Y400 HydrophobicContact CD2-CE2 3.45Å; Y75-Y400 VanDerWaalsContact CD2-CE2 3.45Å; Y75-Y400 HydrophobicContact CD2-CG 4.43Å; Y75-Y400 AromaticContact CD2-CZ 2.86Å; Y75-Y400 WeakPolarHBondContact CD2-OH 3.35Å; Y75-Y400 AromaticContact CE1-CD1 3.88Å; Y75-Y400 HydrophobicContact CE1-CD1 3.88Å; Y75-Y400 AromaticContact CE1-CD2 3.49Å; Y75-Y400 HydrophobicContact CE1-CD2 3.49Å; Y75-Y400 VanDerWaalsContact CE1-CD2 3.49Å; Y75-Y400 HydrophobicContact CE1-CE1 4.05Å; Y75-Y400 AromaticContact CE1-CE2 3.74Å; Y75-Y400 HydrophobicContact CE1-CE2 3.74Å; Y75-Y400 AromaticContact CE1-CG 3.6Å; Y75-Y400 HydrophobicContact CE1-CG 3.6Å; Y75-Y400 AromaticContact CE1-CZ 3.98Å; Y75-Y400 HydrophobicContact CE2-CD1 4.28Å; Y75-Y400 AromaticContact CE2-CD2 3.58Å; Y75-Y400 HydrophobicContact CE2-CD2 3.58Å; Y75-Y400 AromaticContact CE2-CE1 3.66Å; Y75-Y400 HydrophobicContact CE2-CE1 3.66Å; Y75-Y400 AromaticContact CE2-CE2 2.88Å; Y75-Y400 HydrophobicContact CE2-CE2 2.88Å; Y75-Y400 HydrophobicContact CE2-CG 4.24Å; Y75-Y400 AromaticContact CE2-CZ 2.9Å; Y75-Y400 WeakPolarHBondContact CE2-OH 3.27Å; Y75-Y400 AromaticContact CG-CD1 3.64Å; Y75-Y400 HydrophobicContact CG-CD1 3.64Å; Y75-Y400 HydrophobicContact CG-CD2 4.37Å; Y75-Y400 AromaticContact CG-CE1 3.15Å; Y75-Y400 HydrophobicContact CG-CE1 3.15Å; Y75-Y400 HydrophobicContact CG-CE2 4.04Å; Y75-Y400 HydrophobicContact CG-CG 4.21Å; Y75-Y400 AromaticContact CG-CZ 3.4Å; Y75-Y400 AromaticContact CZ-CD2 3.16Å; Y75-Y400 AromaticContact CZ-CE2 3.03Å; Y75-Y400 AromaticContact CZ-CG 3.79Å; Y75-Y400 AromaticContact CZ-CZ 3.47Å; Y75-Y400 VanDerWaalsContact CZ-CZ 3.47Å; Y75-Y400 VanDerWaalsContact OH-CD2 3.25Å; Y75-Y400 WeakPolarHBondContact OH-CD2 3.22Å; Y75-Y400 VanDerWaalsContact OH-CE2 3.28Å; Y75-Y400 WeakPolarHBondContact OH-CE2 3.5Å
76	R	77.8	Confident	86.6	Confident	222 Å²	222	38 Å²	38	84%	0.838	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	29	174.7	-54.4	178	178.5	173.1	0	113.1	L72 A73 K78	L72-R76 PolarHBondContact O-N 3.21Å; A73-R76 PolarHBondContact O-N 2.88Å; A73-R76 VanDerWaalsContact O-N 3.16Å; R76-K78 PolarHBondContact O-N 2.88Å
77	M	79.1	Confident	86.8	Confident	25 Å²	25	37.5 Å²	37.5	12%	0.123	17%	0.172	C	C	.	.			trans	-77.4	93.7	176.6	-58.5	-149.9	-52.7	0	0	108.7	T38 V40 L52 L72 Y75 A79	T38-M77 HydrophobicContact CG2-SD 4.5Å; V40-M77 HydrophobicContact CG2-CE 4.02Å; L52-M77 HydrophobicContact CB-CE 4.5Å; L52-M77 HydrophobicContact CD2-CE 3.39Å; L52-M77 HydrophobicContact CD2-SD 3.75Å; L72-M77 HydrophobicContact CB-CB 4.49Å; L72-M77 HydrophobicContact CD2-CB 3.97Å; L72-M77 HydrophobicContact CD2-CE 3.37Å; L72-M77 PolarHBondContact O-N 2.73Å; Y75-M77 PolarHBondContact O-N 3.21Å; M77-A79 PolarHBondContact O-N 3.03Å
78	K	75.8	Confident	87.2	Confident	136 Å²	136	37.4 Å²	37.4	59%	0.591	17%	0.171	S	C	*	.			trans	-49.7	113.6	-179.5	-63.6	-176.1	-179.6	-177.5	0	112.2	R59 R76 S80 R81	R59-K78 VanDerWaalsContact NH1-N 3.11Å; R59-K78 PolarHBondContact NH1-O 3.26Å; R76-K78 PolarHBondContact O-N 2.88Å; K78-S80 PolarHBondContact O-N 3.12Å; K78-R81 PolarHBondContact O-N 3.03Å
79	A	79.5	Confident	87.1	Confident	9 Å²	9	39.1 Å²	39.1	7%	0.074	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.7	-18.9	170.6	0	0	0	0	0	112.4	M77 R81 I82 T104	M77-A79 PolarHBondContact O-N 3.03Å; A79-R81 PolarHBondContact O-N 2.97Å; A79-I82 HydrophobicContact CB-CD1 4.36Å; A79-I82 PolarHBondContact O-N 3.11Å; A79-T104 HydrophobicContact CB-CG2 3.67Å
80	S	82.8	Confident	87.1	Confident	46 Å²	46	39.9 Å²	39.9	32%	0.322	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-58.9	-13.4	178.6	79.4	0	0	0	0	115.2	K78 V110	K78-S80 PolarHBondContact O-N 3.12Å; S80-V110 VanDerWaalsContact O-CG2 3.28Å; S80-V110 WeakPolarHBondContact O-CG2 3.2Å
81	R	88.2	Confident	87.2	Confident	99 Å²	99	40.2 Å²	40.2	37%	0.374	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-107.5	-7.1	178.5	-67.4	-175	-178.1	174.7	-2.1	113.1	G56 R59 K78 A79 Q83	G56-R81 PolarHBondContact O-NH1 2.98Å; R59-R81 HydrophobicContact CB-CB 4.42Å; R59-R81 HydrophobicContact CG-CB 4.07Å; R59-R81 PolarHBondContact N-O 3.36Å; K78-R81 PolarHBondContact O-N 3.03Å; A79-R81 PolarHBondContact O-N 2.97Å; R81-Q83 PolarHBondContact O-N 2.82Å
82	I	91.5	Very high	87.2	Confident	1 Å²	1	41 Å²	41	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	112.9	178.2	-58.7	175.9	0	0	0	107.5	L52 R59 L61 L72 A79 V85 V101 L113	L52-I82 HydrophobicContact CD1-CD1 4.5Å; L52-I82 HydrophobicContact CD1-CG1 4.39Å; R59-I82 HydrophobicContact CB-CG1 4.08Å; L61-I82 HydrophobicContact CB-CG2 4.39Å; L72-I82 HydrophobicContact CD1-CD1 3.63Å; L72-I82 HydrophobicContact CD2-CD1 4.49Å; A79-I82 HydrophobicContact CB-CD1 4.36Å; A79-I82 PolarHBondContact O-N 3.11Å; I82-V85 HydrophobicContact CG2-CG2 4.5Å; I82-V101 HydrophobicContact CD1-CG1 4.21Å; I82-L113 HydrophobicContact CG2-CD1 4.14Å
83	Q	91.1	Very high	87.4	Confident	83 Å²	83	44.1 Å²	44.1	39%	0.388	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-15	179.2	-61.6	-176.4	44.5	0	0	112.4	R59 R81 T114	R59-Q83 PolarHBondContact O-N 2.91Å; R59-Q83 VanDerWaalsContact O-N 3.1Å; R81-Q83 PolarHBondContact O-N 2.82Å; Q83-T114 PolarHBondContact O-N 3.38Å
84	H	94.4	Very high	87.9	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.7	-178.1	-61.5	-81.9	0	0	0	111.3	Y60 L61 F86 T114 H116 Y149	Y60-H84 WeakPolarHBondContact CA-O 3.29Å; Y60-H84 HydrophobicContact CD1-CB 3.52Å; Y60-H84 AromaticContact CD1-CD2 3.59Å; Y60-H84 AromaticContact CD1-CG 3.6Å; Y60-H84 HydrophobicContact CE1-CB 4.24Å; Y60-H84 AromaticContact CE1-CD2 3.4Å; Y60-H84 VanDerWaalsContact CE1-CD2 3.4Å; Y60-H84 WeakPolarHBondContact CE1-CD2 3.46Å; Y60-H84 AromaticContact CE1-CG 3.81Å; Y60-H84 HydrophobicContact CG-CB 4.2Å; L61-H84 PolarHBondContact N-O 3.18Å; H84-F86 HydrophobicContact CB-CD2 4.32Å; H84-F86 HydrophobicContact CB-CE2 3.7Å; H84-T114 CarbonylContact C-O 3.5Å; H84-T114 VanDerWaalsContact CA-O 3.31Å; H84-T114 WeakPolarHBondContact CA-O 3.48Å; H84-H116 AromaticContact CE1-NE2 3.98Å; H84-H116 AromaticContact CG-NE2 3.79Å; H84-H116 AromaticContact ND1-CD2 3.99Å; H84-H116 AromaticContact ND1-CE1 3.85Å; H84-H116 AromaticContact ND1-NE2 2.95Å; H84-H116 PolarHBondContact ND1-NE2 2.9Å; H84-Y149 AromaticContact CE1-CZ 3.54Å; H84-Y149 PolarHBondContact CE1-OH 3.15Å; H84-Y149 AromaticContact ND1-CZ 3.96Å; H84-Y149 PolarHBondContact NE2-OH 2.99Å
85	V	94.8	Very high	88.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	168.4	-174.1	0	0	0	0	108.8	L61 C64 I82 L87 L98 L113 T114 I115 H116	L61-V85 HydrophobicContact CB-CG2 4.31Å; L61-V85 HydrophobicContact CD2-CG1 4.5Å; L61-V85 HydrophobicContact CD2-CG2 4.5Å; L61-V85 CarbonylContact O-C 3.52Å; L61-V85 VanDerWaalsContact O-CA 3.25Å; L61-V85 WeakPolarHBondContact O-CA 3.41Å; C64-V85 HydrophobicContact CB-CG1 4.14Å; I82-V85 HydrophobicContact CG2-CG2 4.5Å; V85-L87 HydrophobicContact CG1-CD2 3.75Å; V85-L87 HydrophobicContact CG1-CG 4.18Å; V85-L98 HydrophobicContact CB-CD1 4.4Å; V85-L98 HydrophobicContact CG1-CD1 4.23Å; V85-L98 HydrophobicContact CG2-CD1 4.05Å; V85-L113 HydrophobicContact CG2-CD1 4.07Å; V85-L113 HydrophobicContact CG2-CD2 4.48Å; V85-L113 HydrophobicContact CG2-CG 4.46Å; V85-T114 PolarHBondContact N-O 3.29Å; V85-I115 CarbonylContact O-C 3.58Å; V85-I115 WeakPolarHBondContact O-CA 3.18Å; V85-H116 PolarHBondContact O-N 2.79Å
86	F	96.3	Very high	88.9	Confident	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117	176.8	-68.5	-101	0	0	0	109.2	Y60 L61 V62 N63 H84 H116 I144 Y149 V156 Y191 F193	Y60-F86 AromaticContact CD1-CE2 3.99Å; Y60-F86 HydrophobicContact CD1-CE2 3.99Å; L61-F86 PolarHBondContact O-N 3.25Å; V62-F86 CarbonylContact C-O 3.58Å; V62-F86 WeakPolarHBondContact CA-O 3.24Å; V62-F86 HydrophobicContact CG1-CB 4.45Å; V62-F86 HydrophobicContact CG2-CB 4.32Å; N63-F86 PolarHBondContact N-O 2.84Å; H84-F86 HydrophobicContact CB-CD2 4.32Å; H84-F86 HydrophobicContact CB-CE2 3.7Å; F86-H116 CarbonylContact C-O 3.53Å; F86-H116 WeakPolarHBondContact CA-O 3.44Å; F86-H116 HydrophobicContact CB-CB 4.47Å; F86-H116 HydrophobicContact CD1-CB 3.39Å; F86-H116 AromaticContact CD1-CG 3.67Å; F86-H116 AromaticContact CD2-CD2 3.94Å; F86-H116 HydrophobicContact CE1-CB 3.63Å; F86-H116 AromaticContact CE1-CD2 3.67Å; F86-H116 AromaticContact CE1-CG 3.38Å; F86-H116 AromaticContact CE1-ND1 3.68Å; F86-H116 AromaticContact CE2-CD2 3.59Å; F86-H116 AromaticContact CE2-NE2 3.94Å; F86-H116 HydrophobicContact CG-CB 3.92Å; F86-H116 HydrophobicContact CZ-CB 4.32Å; F86-H116 AromaticContact CZ-CD2 3.44Å; F86-H116 VanDerWaalsContact CZ-CD2 3.44Å; F86-H116 WeakPolarHBondContact CZ-CD2 3.2Å; F86-H116 AromaticContact CZ-CE1 3.86Å; F86-H116 AromaticContact CZ-CG 3.65Å; F86-H116 AromaticContact CZ-ND1 3.89Å; F86-H116 AromaticContact CZ-NE2 3.62Å; F86-I144 HydrophobicContact CD1-CD1 4.43Å; F86-I144 HydrophobicContact CE1-CD1 3.83Å; F86-Y149 HydrophobicContact CZ-CD1 4.38Å; F86-V156 HydrophobicContact CD1-CG1 4.45Å; F86-V156 HydrophobicContact CE1-CB 4.29Å; F86-V156 HydrophobicContact CE1-CG1 3.77Å; F86-V156 HydrophobicContact CE1-CG2 4.43Å; F86-V156 HydrophobicContact CZ-CG1 4.39Å; F86-V156 HydrophobicContact CZ-CG2 4.26Å; F86-Y191 HydrophobicContact CB-CD2 3.96Å; F86-Y191 HydrophobicContact CB-CE2 3.81Å; F86-Y191 AromaticContact CD1-CD1 3.86Å; F86-Y191 HydrophobicContact CD1-CD1 3.86Å; F86-Y191 HydrophobicContact CD1-CD2 4.35Å; F86-Y191 AromaticContact CD1-CE1 3.93Å; F86-Y191 HydrophobicContact CD1-CE1 3.93Å; F86-Y191 HydrophobicContact CD1-CE2 4.42Å; F86-Y191 HydrophobicContact CD1-CG 4.08Å; F86-F193 HydrophobicContact CD1-CE2 4.37Å; F86-F193 AromaticContact CD1-CZ 3.83Å; F86-F193 HydrophobicContact CD1-CZ 3.83Å; F86-F193 HydrophobicContact CD2-CE1 4.35Å; F86-F193 AromaticContact CD2-CZ 3.7Å; F86-F193 HydrophobicContact CD2-CZ 3.7Å; F86-F193 HydrophobicContact CE1-CE1 4.33Å; F86-F193 AromaticContact CE1-CZ 3.79Å; F86-F193 HydrophobicContact CE1-CZ 3.79Å; F86-F193 AromaticContact CE2-CE1 3.88Å; F86-F193 HydrophobicContact CE2-CE1 3.88Å; F86-F193 AromaticContact CE2-CZ 3.65Å; F86-F193 HydrophobicContact CE2-CZ 3.65Å; F86-F193 HydrophobicContact CG-CE2 4.49Å; F86-F193 AromaticContact CG-CZ 3.79Å; F86-F193 HydrophobicContact CG-CZ 3.79Å; F86-F193 AromaticContact CZ-CE1 3.88Å; F86-F193 HydrophobicContact CZ-CE1 3.88Å; F86-F193 AromaticContact CZ-CZ 3.7Å; F86-F193 HydrophobicContact CZ-CZ 3.7Å
87	L	94.9	Very high	89.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.			trans	-104.2	121	-177.7	-61.2	180	0	0	0	109.5	V85 R89 C94 T95 L98 I115 H116 L121 Y191	V85-L87 HydrophobicContact CG1-CD2 3.75Å; V85-L87 HydrophobicContact CG1-CG 4.18Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-C94 VanDerWaalsContact CD2-O 3.3Å; L87-C94 WeakPolarHBondContact CD2-O 3.48Å; L87-T95 HydrophobicContact CD1-CG2 3.69Å; L87-T95 HydrophobicContact CD2-CG2 4.5Å; L87-L98 HydrophobicContact CD1-CD2 4.39Å; L87-I115 HydrophobicContact CD1-CG2 4.05Å; L87-I115 HydrophobicContact CG-CG2 4.49Å; L87-H116 PolarHBondContact N-O 3.01Å; L87-L121 HydrophobicContact CB-CD1 4.36Å; L87-L121 HydrophobicContact CD1-CD1 3.55Å; L87-L121 HydrophobicContact CD1-CD2 3.38Å; L87-L121 HydrophobicContact CD1-CG 4.11Å; L87-L121 HydrophobicContact CG-CD1 4.4Å; L87-Y191 WeakPolarHBondContact O-CE2 3.45Å; L87-Y191 PolarHBondContact O-OH 2.94Å
88	T	94.1	Very high	90.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-77.7	-21.1	-177.2	53.5	0	0	0	0	112.5	V62 N63 V188 F189 Y191 D258 F297	V62-T88 HydrophobicContact CG1-CG2 4.15Å; N63-T88 VanDerWaalsContact CG-OG1 3.28Å; N63-T88 PolarHBondContact ND2-OG1 3.28Å; N63-T88 PolarHBondContact OD1-N 3.02Å; N63-T88 PolarHBondContact OD1-OG1 2.92Å; T88-V188 CarbonylContact O-C 3.56Å; T88-V188 WeakPolarHBondContact O-CA 3.3Å; T88-F189 PolarHBondContact O-N 2.74Å; T88-Y191 HydrophobicContact CG2-CD2 4.19Å; T88-Y191 HydrophobicContact CG2-CE2 4.12Å; T88-D258 WeakPolarHBondContact CB-OD2 3.37Å; T88-D258 HydrophobicContact CG2-CB 4.05Å; T88-D258 PolarHBondContact OG1-OD2 3.16Å; T88-F297 HydrophobicContact CG2-CD2 4.22Å; T88-F297 HydrophobicContact CG2-CE2 4Å
89	R	91	Very high	90.6	Very high	37 Å²	37	22 Å²	22	14%	0.14	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-146.3	153	178.4	-71.5	-177.1	-73.3	111.5	3	111.4	L87 S91 D93 C94 V188 D258	L87-R89 VanDerWaalsContact C-N 3.34Å; R89-S91 VanDerWaalsContact NH1-CB 3.34Å; R89-S91 PolarHBondContact NH1-OG 3.34Å; R89-S91 PolarHBondContact O-N 2.95Å; R89-S91 VanDerWaalsContact O-N 3.1Å; R89-D93 IonicContact CZ-OD1 2.69Å; R89-D93 IonicContact CZ-OD2 3.63Å; R89-D93 IonicContact NH1-OD1 2.87Å; R89-D93 PolarHBondContact NH1-OD1 3.43Å; R89-D93 VanDerWaalsContact NH1-OD1 3.12Å; R89-D93 IonicContact NH1-OD2 3.52Å; R89-D93 PolarHBondContact NH1-OD2 3.27Å; R89-D93 IonicContact NH2-OD1 2.85Å; R89-D93 IonicContact NH2-OD2 3.55Å; R89-D93 PolarHBondContact NH2-OD2 3.05Å; R89-C94 PolarHBondContact NH2-SG 3.05Å; R89-C94 VanDerWaalsContact NH2-SG 3.41Å; R89-V188 HydrophobicContact CG-CB 4.33Å; R89-V188 HydrophobicContact CG-CG1 4.23Å; R89-V188 HydrophobicContact CG-CG2 3.94Å; R89-D258 IonicContact CZ-OD1 3.72Å; R89-D258 IonicContact CZ-OD2 3.98Å; R89-D258 IonicContact NE-OD1 2.76Å; R89-D258 PolarHBondContact NE-OD1 3.21Å; R89-D258 VanDerWaalsContact NE-OD1 3.09Å; R89-D258 IonicContact NE-OD2 3.64Å; R89-D258 PolarHBondContact NE-OD2 2.83Å; R89-D258 IonicContact NH2-OD1 3.92Å; R89-D258 IonicContact NH2-OD2 3.09Å; R89-D258 PolarHBondContact NH2-OD2 2.92Å
90	M	88.7	Confident	91	Very high	36 Å²	36	22 Å²	22	18%	0.177	11%	0.11	C	C	.	.	S	Bend	trans	-80.2	74	163.3	-169.3	57.7	-175.1	0	0	109.3	P118 E120 L121 L582 F583	M90-P118 HydrophobicContact CB-CB 4.22Å; M90-P118 HydrophobicContact CB-CG 3.61Å; M90-P118 HydrophobicContact CG-CG 4.31Å; M90-P118 HydrophobicContact SD-CG 4.15Å; M90-E120 HydrophobicContact CE-CB 4.1Å; M90-E120 HydrophobicContact SD-CB 4.42Å; M90-L121 HydrophobicContact CE-CD2 4.43Å; M90-L121 HydrophobicContact SD-CD2 3.62Å; M90-L121 HydrophobicContact SD-CG 4Å; M90-L582 HydrophobicContact CE-CB 4.11Å; M90-L582 HydrophobicContact CE-CD2 4.09Å; M90-F583 HydrophobicContact CE-CD1 4.2Å; M90-F583 HydrophobicContact CE-CE1 3.72Å; M90-F583 HydrophobicContact CE-CZ 4.02Å; M90-F583 HydrophobicContact CG-CD1 4.33Å; M90-F583 HydrophobicContact CG-CE1 4.39Å; M90-F583 HydrophobicContact SD-CE1 4.11Å
91	S	90.1	Very high	91.3	Very high	8 Å²	8	19.8 Å²	19.8	6%	0.056	9%	0.094	C	C	.	.	S	Bend	trans	-141.7	149.1	-177.9	66.9	0	0	0	0	111.7	R89 D93 C94 T95	R89-S91 VanDerWaalsContact NH1-CB 3.34Å; R89-S91 PolarHBondContact NH1-OG 3.34Å; R89-S91 PolarHBondContact O-N 2.95Å; R89-S91 VanDerWaalsContact O-N 3.1Å; S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 WeakPolarHBondContact CB-OD1 3.41Å; S91-D93 PolarHBondContact O-N 3.16Å; S91-D93 PolarHBondContact OG-OD1 3.45Å; S91-C94 PolarHBondContact O-N 2.89Å; S91-C94 PolarHBondContact OG-SG 2.99Å; S91-T95 WeakPolarHBondContact O-CG2 3.3Å; S91-T95 PolarHBondContact O-N 3.1Å; S91-T95 VanDerWaalsContact O-N 3.16Å; S91-T95 PolarHBondContact O-OG1 3.13Å
92	W	91	Very high	91.2	Very high	17 Å²	17	15.2 Å²	15.2	6%	0.064	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-34.2	-174	-174.7	-115.7	0	0	0	113.1	C94 T95 S96 F542 T543 W575 F579 F583 Y585	W92-C94 PolarHBondContact O-N 2.82Å; W92-T95 PolarHBondContact O-N 3.2Å; W92-S96 VanDerWaalsContact CE2-CB 3.46Å; W92-S96 WeakPolarHBondContact O-CB 3.19Å; W92-S96 PolarHBondContact O-N 2.61Å; W92-S96 PolarHBondContact O-OG 2.75Å; W92-F542 HydrophobicContact CZ2-CB 4.45Å; W92-F542 HydrophobicContact CZ2-CD2 4.37Å; W92-T543 PolarHBondContact NE1-OG1 3.13Å; W92-W575 HydrophobicContact CH2-CZ2 4.35Å; W92-W575 HydrophobicContact CZ3-CZ2 4.5Å; W92-F579 HydrophobicContact CB-CE2 4.12Å; W92-F579 HydrophobicContact CB-CZ 4.41Å; W92-F579 HydrophobicContact CD2-CD2 4.47Å; W92-F579 AromaticContact CD2-CE2 3.6Å; W92-F579 HydrophobicContact CD2-CE2 3.6Å; W92-F579 HydrophobicContact CD2-CZ 4.43Å; W92-F579 HydrophobicContact CE3-CD2 4.15Å; W92-F579 AromaticContact CE3-CE2 3.66Å; W92-F579 HydrophobicContact CE3-CE2 3.66Å; W92-F579 AromaticContact CG-CE2 3.81Å; W92-F579 HydrophobicContact CG-CE2 3.81Å; W92-F579 HydrophobicContact CG-CZ 4.23Å; W92-F579 HydrophobicContact CZ3-CD2 4.42Å; W92-F579 HydrophobicContact CZ3-CE2 4.31Å; W92-F583 HydrophobicContact CE3-CD2 4.49Å; W92-F583 AromaticContact CE3-CE2 3.68Å; W92-F583 HydrophobicContact CE3-CE2 3.68Å; W92-F583 AromaticContact CE3-CZ 3.75Å; W92-F583 HydrophobicContact CE3-CZ 3.75Å; W92-F583 HydrophobicContact CZ3-CE2 4.2Å; W92-F583 HydrophobicContact CZ3-CZ 4.35Å; W92-Y585 HydrophobicContact CB-CE2 3.99Å
93	D	90.9	Very high	90.8	Very high	72 Å²	72	17.8 Å²	17.8	39%	0.385	9%	0.091	S	C	.	.	H	α-helix	trans	-66.4	-23.8	176.4	65.2	-54.2	0	0	0	113.5	G65 R89 S91	G65-D93 WeakPolarHBondContact CA-O 3.22Å; R89-D93 IonicContact CZ-OD1 2.69Å; R89-D93 IonicContact CZ-OD2 3.63Å; R89-D93 IonicContact NH1-OD1 2.87Å; R89-D93 PolarHBondContact NH1-OD1 3.43Å; R89-D93 VanDerWaalsContact NH1-OD1 3.12Å; R89-D93 IonicContact NH1-OD2 3.52Å; R89-D93 PolarHBondContact NH1-OD2 3.27Å; R89-D93 IonicContact NH2-OD1 2.85Å; R89-D93 IonicContact NH2-OD2 3.55Å; R89-D93 PolarHBondContact NH2-OD2 3.05Å; S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 WeakPolarHBondContact CB-OD1 3.41Å; S91-D93 PolarHBondContact O-N 3.16Å; S91-D93 PolarHBondContact OG-OD1 3.45Å
94	C	93	Very high	90.5	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.02	9%	0.085	C	C	.	.	H	α-helix	trans	-91.6	-21	175.9	-69.8	0	0	0	0	113	C64 L87 R89 S91 W92	C64-C94 CarbonylContact C-O 3.59Å; C64-C94 WeakPolarHBondContact CA-O 3.46Å; C64-C94 PolarHBondContact N-O 3.42Å; L87-C94 VanDerWaalsContact CD2-O 3.3Å; L87-C94 WeakPolarHBondContact CD2-O 3.48Å; R89-C94 PolarHBondContact NH2-SG 3.05Å; R89-C94 VanDerWaalsContact NH2-SG 3.41Å; S91-C94 PolarHBondContact O-N 2.89Å; S91-C94 PolarHBondContact OG-SG 2.99Å; W92-C94 PolarHBondContact O-N 2.82Å
95	T	91.7	Very high	90	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-117.6	-15.9	-170.7	66.6	0	0	0	0	115.6	C64 L87 S91 W92 G97 L98 L121 L124 F583	C64-T95 CarbonylContact O-C 3.59Å; L87-T95 HydrophobicContact CD1-CG2 3.69Å; L87-T95 HydrophobicContact CD2-CG2 4.5Å; S91-T95 WeakPolarHBondContact O-CG2 3.3Å; S91-T95 PolarHBondContact O-N 3.1Å; S91-T95 VanDerWaalsContact O-N 3.16Å; S91-T95 PolarHBondContact O-OG1 3.13Å; W92-T95 PolarHBondContact O-N 3.2Å; T95-G97 VanDerWaalsContact C-N 3.3Å; T95-G97 PolarHBondContact O-N 2.63Å; T95-L98 WeakPolarHBondContact O-CB 2.99Å; T95-L98 PolarHBondContact O-N 3.49Å; T95-L121 HydrophobicContact CG2-CD2 3.98Å; T95-L124 HydrophobicContact CG2-CD2 4.44Å; T95-F583 HydrophobicContact CG2-CE1 4.48Å; T95-F583 WeakPolarHBondContact OG1-CZ 3.4Å
96	S	91.4	Very high	89.4	Confident	13 Å²	13	18.9 Å²	18.9	9%	0.091	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.5	-168.8	40.3	0	0	0	0	115.1	C64 G65 E66 W92	C64-S96 PolarHBondContact O-N 3.19Å; G65-S96 VanDerWaalsContact CA-OG 3.31Å; G65-S96 WeakPolarHBondContact CA-OG 3.49Å; E66-S96 WeakPolarHBondContact CG-OG 3.4Å; E66-S96 PolarHBondContact N-OG 2.82Å; W92-S96 VanDerWaalsContact CE2-CB 3.46Å; W92-S96 WeakPolarHBondContact O-CB 3.19Å; W92-S96 PolarHBondContact O-N 2.61Å; W92-S96 PolarHBondContact O-OG 2.75Å
97	G	91.5	Very high	88.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.3	178.5	0	0	0	0	0	114.4	C64 G65 T95 L99 G100 V101	C64-G97 WeakPolarHBondContact O-CA 3.23Å; C64-G97 PolarHBondContact O-N 3.07Å; G65-G97 VanDerWaalsContact C-N 3.32Å; G65-G97 WeakPolarHBondContact O-CA 3.42Å; T95-G97 VanDerWaalsContact C-N 3.3Å; T95-G97 PolarHBondContact O-N 2.63Å; G97-L99 VanDerWaalsContact C-N 3.29Å; G97-L99 PolarHBondContact O-N 3.47Å; G97-G100 PolarHBondContact O-N 2.9Å; G97-V101 WeakPolarHBondContact O-CG2 3.44Å; G97-V101 PolarHBondContact O-N 2.81Å; G97-V101 VanDerWaalsContact O-N 3.16Å
98	L	90.4	Very high	88	Confident	2 Å²	2	26 Å²	26	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-38.1	-174.6	177.1	60.3	0	0	0	112.3	C64 V85 L87 T95 V101 A102 I115 M125	C64-L98 HydrophobicContact CB-CB 4.43Å; C64-L98 PolarHBondContact O-N 2.83Å; C64-L98 VanDerWaalsContact SG-CA 3.54Å; C64-L98 PolarHBondContact SG-N 3.06Å; V85-L98 HydrophobicContact CB-CD1 4.4Å; V85-L98 HydrophobicContact CG1-CD1 4.23Å; V85-L98 HydrophobicContact CG2-CD1 4.05Å; L87-L98 HydrophobicContact CD1-CD2 4.39Å; T95-L98 WeakPolarHBondContact O-CB 2.99Å; T95-L98 PolarHBondContact O-N 3.49Å; L98-V101 PolarHBondContact O-N 2.76Å; L98-A102 VanDerWaalsContact O-CB 3.25Å; L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 2.87Å; L98-I115 HydrophobicContact CD1-CD1 4.13Å; L98-I115 HydrophobicContact CD2-CD1 3.77Å; L98-I115 HydrophobicContact CG-CD1 4.4Å; L98-M125 HydrophobicContact CD2-SD 3.77Å; L98-M125 HydrophobicContact CG-SD 4.12Å
99	L	86.6	Confident	87.5	Confident	25 Å²	25	28.6 Å²	28.6	13%	0.131	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-49.9	-179.9	-174.9	61.8	0	0	0	111.7	G97 V101 A102 L103 M125 T128 F131 T132 A535	G97-L99 VanDerWaalsContact C-N 3.29Å; G97-L99 PolarHBondContact O-N 3.47Å; L99-V101 VanDerWaalsContact C-N 3.33Å; L99-V101 PolarHBondContact O-N 3.02Å; L99-A102 PolarHBondContact O-N 3.39Å; L99-L103 HydrophobicContact CD1-CD1 4.47Å; L99-L103 HydrophobicContact CG-CD1 4.22Å; L99-L103 WeakPolarHBondContact O-CG 3.2Å; L99-L103 PolarHBondContact O-N 2.77Å; L99-M125 HydrophobicContact CD1-CE 4.14Å; L99-T128 HydrophobicContact CD1-CG2 3.97Å; L99-T128 HydrophobicContact CD2-CG2 4.14Å; L99-F131 HydrophobicContact CD2-CD2 4.02Å; L99-F131 HydrophobicContact CD2-CE2 3.58Å; L99-T132 HydrophobicContact CD1-CG2 3.72Å; L99-T132 HydrophobicContact CD2-CG2 4.2Å; L99-T132 HydrophobicContact CG-CG2 4.25Å; L99-A535 HydrophobicContact CD2-CB 3.83Å
100	G	86.9	Confident	87.1	Confident	8 Å²	8	27.6 Å²	27.6	8%	0.082	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-42	178.7	0	0	0	0	0	112.2	Q69 G97 T104	Q69-G100 PolarHBondContact NE2-O 3.33Å; G97-G100 PolarHBondContact O-N 2.9Å; G100-T104 WeakPolarHBondContact O-CB 3.49Å; G100-T104 PolarHBondContact O-N 2.61Å; G100-T104 PolarHBondContact O-OG1 3.15Å
101	V	88.9	Confident	86.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-44.5	175.5	174	0	0	0	0	111.6	T68 Q69 L72 I82 G97 L98 L99 L103 T104 A105	T68-V101 HydrophobicContact CG2-CG2 3.85Å; Q69-V101 HydrophobicContact CB-CG2 4.27Å; L72-V101 HydrophobicContact CD1-CG2 4.23Å; I82-V101 HydrophobicContact CD1-CG1 4.21Å; G97-V101 WeakPolarHBondContact O-CG2 3.44Å; G97-V101 PolarHBondContact O-N 2.81Å; G97-V101 VanDerWaalsContact O-N 3.16Å; L98-V101 PolarHBondContact O-N 2.76Å; L99-V101 VanDerWaalsContact C-N 3.33Å; L99-V101 PolarHBondContact O-N 3.02Å; V101-L103 PolarHBondContact O-N 2.66Å; V101-T104 PolarHBondContact O-N 3.3Å; V101-A105 WeakPolarHBondContact O-CB 3.43Å; V101-A105 PolarHBondContact O-N 2.63Å
102	A	86.4	Confident	86.6	Confident	2 Å²	2	39.2 Å²	39.2	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-42.6	179.6	0	0	0	0	0	112.2	L98 L99 T104 A105 K106 L113	L98-A102 VanDerWaalsContact O-CB 3.25Å; L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 2.87Å; L99-A102 PolarHBondContact O-N 3.39Å; A102-T104 VanDerWaalsContact C-N 3.35Å; A102-A105 PolarHBondContact O-N 3.16Å; A102-K106 PolarHBondContact O-N 3.05Å; A102-L113 HydrophobicContact CB-CD2 3.91Å
103	L	83.3	Confident	86.5	Confident	55 Å²	55	38.4 Å²	38.4	29%	0.288	23%	0.228	S	C	.	.	H	α-helix	trans	-62.8	-41.7	175.1	-69.4	173.2	0	0	0	111.6	L99 V101 K106 A107 T132	L99-L103 HydrophobicContact CD1-CD1 4.47Å; L99-L103 HydrophobicContact CG-CD1 4.22Å; L99-L103 WeakPolarHBondContact O-CG 3.2Å; L99-L103 PolarHBondContact O-N 2.77Å; V101-L103 PolarHBondContact O-N 2.66Å; L103-K106 PolarHBondContact O-N 2.89Å; L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 2.75Å; L103-T132 HydrophobicContact CD1-CG2 3.92Å; L103-T132 HydrophobicContact CD2-CG2 4.01Å; L103-T132 HydrophobicContact CG-CG2 4.39Å
104	T	84.2	Confident	86.5	Confident	44 Å²	44	35.6 Å²	35.6	27%	0.27	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-44	177.5	-53.1	0	0	0	0	111.9	Q69 A79 G100 V101 A102 K106 A107 A108	Q69-T104 PolarHBondContact NE2-OG1 2.9Å; A79-T104 HydrophobicContact CB-CG2 3.67Å; G100-T104 WeakPolarHBondContact O-CB 3.49Å; G100-T104 PolarHBondContact O-N 2.61Å; G100-T104 PolarHBondContact O-OG1 3.15Å; V101-T104 PolarHBondContact O-N 3.3Å; A102-T104 VanDerWaalsContact C-N 3.35Å; T104-K106 VanDerWaalsContact C-N 3.32Å; T104-K106 PolarHBondContact O-N 2.79Å; T104-A107 PolarHBondContact O-N 3.32Å; T104-A108 WeakPolarHBondContact O-CB 3.18Å; T104-A108 PolarHBondContact O-N 2.77Å
105	A	84.6	Confident	86.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-44.4	176.8	0	0	0	0	0	110.8	V101 A102 A108 G109 V110	V101-A105 WeakPolarHBondContact O-CB 3.43Å; V101-A105 PolarHBondContact O-N 2.63Å; A102-A105 PolarHBondContact O-N 3.16Å; A105-A108 CarbonylContact O-C 3.56Å; A105-A108 PolarHBondContact O-N 2.84Å; A105-G109 PolarHBondContact O-N 2.71Å; A105-V110 HydrophobicContact CB-CB 4.05Å; A105-V110 HydrophobicContact CB-CG2 3.99Å; A105-V110 VanDerWaalsContact O-CB 3.29Å; A105-V110 WeakPolarHBondContact O-CB 3.33Å; A105-V110 VanDerWaalsContact O-CG2 3.3Å; A105-V110 WeakPolarHBondContact O-CG2 3.37Å; A105-V110 PolarHBondContact O-N 3.43Å
106	K	81.2	Confident	86.5	Confident	71 Å²	71	35.3 Å²	35.3	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-50.7	175.2	-167.7	-170.6	171.1	-170.2	0	112.3	A102 L103 T104 A108 G109 C134 K135 T137	A102-K106 PolarHBondContact O-N 3.05Å; L103-K106 PolarHBondContact O-N 2.89Å; T104-K106 VanDerWaalsContact C-N 3.32Å; T104-K106 PolarHBondContact O-N 2.79Å; K106-A108 PolarHBondContact O-N 2.86Å; K106-A108 VanDerWaalsContact O-N 3.16Å; K106-G109 WeakPolarHBondContact O-CA 3.47Å; K106-G109 PolarHBondContact O-N 3.01Å; K106-C134 PolarHBondContact NZ-SG 3.45Å; K106-C134 VanDerWaalsContact NZ-SG 3.39Å; K106-K135 VanDerWaalsContact CE-O 3.27Å; K106-K135 WeakPolarHBondContact CE-O 3.39Å; K106-K135 PolarHBondContact NZ-O 2.89Å; K106-T137 VanDerWaalsContact CB-OG1 3.25Å; K106-T137 WeakPolarHBondContact CB-OG1 3.48Å
107	A	80.1	Confident	86.2	Confident	95 Å²	95	34.8 Å²	34.8	79%	0.785	21%	0.208	S	C	*	.	H	α-helix	trans	-58.4	-29.6	-179.9	0	0	0	0	0	111.6	L103 T104 G109	L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 2.75Å; T104-A107 PolarHBondContact O-N 3.32Å; A107-G109 VanDerWaalsContact C-N 3.32Å
108	A	82.8	Confident	85.4	Confident	54 Å²	54	35 Å²	35	45%	0.446	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	5.2	174.3	0	0	0	0	0	114.9	T104 A105 K106	T104-A108 WeakPolarHBondContact O-CB 3.18Å; T104-A108 PolarHBondContact O-N 2.77Å; A105-A108 CarbonylContact O-C 3.56Å; A105-A108 PolarHBondContact O-N 2.84Å; K106-A108 PolarHBondContact O-N 2.86Å; K106-A108 VanDerWaalsContact O-N 3.16Å
109	G	83	Confident	84.5	Confident	56 Å²	56	38.6 Å²	38.6	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.9	10.2	173.5	0	0	0	0	0	116	A105 K106 A107 K111	A105-G109 PolarHBondContact O-N 2.71Å; K106-G109 WeakPolarHBondContact O-CA 3.47Å; K106-G109 PolarHBondContact O-N 3.01Å; A107-G109 VanDerWaalsContact C-N 3.32Å; G109-K111 PolarHBondContact O-N 2.94Å
110	V	83.3	Confident	84.1	Confident	15 Å²	15	40.8 Å²	40.8	9%	0.091	24%	0.242	C	C	.	.			trans	-67.2	119.5	174.7	-180	0	0	0	0	109.1	S80 A105 K112 T137	S80-V110 VanDerWaalsContact O-CG2 3.28Å; S80-V110 WeakPolarHBondContact O-CG2 3.2Å; A105-V110 HydrophobicContact CB-CB 4.05Å; A105-V110 HydrophobicContact CB-CG2 3.99Å; A105-V110 VanDerWaalsContact O-CB 3.29Å; A105-V110 WeakPolarHBondContact O-CB 3.33Å; A105-V110 VanDerWaalsContact O-CG2 3.3Å; A105-V110 WeakPolarHBondContact O-CG2 3.37Å; A105-V110 PolarHBondContact O-N 3.43Å; V110-K112 VanDerWaalsContact CG1-O 3.3Å; V110-K112 WeakPolarHBondContact CG1-O 3.47Å; V110-T137 HydrophobicContact CG1-CG2 4.32Å; V110-T137 WeakPolarHBondContact O-CG2 3.22Å
111	K	82.1	Confident	83.7	Confident	183 Å²	183	40.5 Å²	40.5	80%	0.796	24%	0.238	S	C	*	.			trans	-80.2	-36.7	-176.6	-65	-175	179	-177.7	0	113.4	G109 T137 D138	G109-K111 PolarHBondContact O-N 2.94Å; K111-T137 VanDerWaalsContact C-CG2 3.44Å; K111-T137 VanDerWaalsContact O-CG2 3.31Å; K111-T137 WeakPolarHBondContact O-CG2 3.44Å; K111-D138 PolarHBondContact O-N 2.81Å
112	K	86.1	Confident	83.2	Confident	106 Å²	106	45.3 Å²	45.3	46%	0.461	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131	-175.7	-179.9	176.3	170.6	173.3	0	109.8	V110 T114 V140	V110-K112 VanDerWaalsContact CG1-O 3.3Å; V110-K112 WeakPolarHBondContact CG1-O 3.47Å; K112-T114 WeakPolarHBondContact CE-OG1 3.35Å; K112-V140 HydrophobicContact CD-CG2 4.04Å; K112-V140 VanDerWaalsContact CE-CG2 3.48Å; K112-V140 HydrophobicContact CG-CG2 4.01Å
113	L	88.8	Confident	82.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.2	173.1	-177.7	66.3	0	0	0	107.2	I82 V85 A102 T137 D138 I139 V140	I82-L113 HydrophobicContact CG2-CD1 4.14Å; V85-L113 HydrophobicContact CG2-CD1 4.07Å; V85-L113 HydrophobicContact CG2-CD2 4.48Å; V85-L113 HydrophobicContact CG2-CG 4.46Å; A102-L113 HydrophobicContact CB-CD2 3.91Å; L113-T137 HydrophobicContact CB-CG2 3.82Å; L113-T137 VanDerWaalsContact N-CG2 3.35Å; L113-D138 PolarHBondContact N-O 3.49Å; L113-D138 VanDerWaalsContact N-O 3.09Å; L113-I139 WeakPolarHBondContact O-CA 3.19Å; L113-V140 PolarHBondContact O-N 3.13Å; L113-V140 VanDerWaalsContact O-N 3.1Å
114	T	91.2	Very high	83	Confident	13 Å²	13	48.3 Å²	48.3	8%	0.08	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.8	-178.9	-48.4	0	0	0	0	109.1	Q83 H84 V85 K112 H116 V140	Q83-T114 PolarHBondContact O-N 3.38Å; H84-T114 CarbonylContact C-O 3.5Å; H84-T114 VanDerWaalsContact CA-O 3.31Å; H84-T114 WeakPolarHBondContact CA-O 3.48Å; V85-T114 PolarHBondContact N-O 3.29Å; K112-T114 WeakPolarHBondContact CE-OG1 3.35Å; T114-H116 WeakPolarHBondContact CG2-NE2 3.46Å; T114-V140 CarbonylContact C-O 3.54Å; T114-V140 WeakPolarHBondContact CA-O 3.33Å; T114-V140 WeakPolarHBondContact CG2-O 3.27Å
115	I	90.9	Very high	82.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.7	178.3	-54.3	-176.3	0	0	0	108.5	V85 L87 L98 L121 M125 I139 V140 M141 S142	V85-I115 CarbonylContact O-C 3.58Å; V85-I115 WeakPolarHBondContact O-CA 3.18Å; L87-I115 HydrophobicContact CD1-CG2 4.05Å; L87-I115 HydrophobicContact CG-CG2 4.49Å; L98-I115 HydrophobicContact CD1-CD1 4.13Å; L98-I115 HydrophobicContact CD2-CD1 3.77Å; L98-I115 HydrophobicContact CG-CD1 4.4Å; I115-L121 HydrophobicContact CG2-CD1 3.85Å; I115-M125 HydrophobicContact CD1-CG 4.23Å; I115-I139 HydrophobicContact CD1-CG1 4.42Å; I115-I139 HydrophobicContact CD1-CG2 3.48Å; I115-I139 VanDerWaalsContact CD1-CG2 3.48Å; I115-I139 HydrophobicContact CG1-CG2 3.93Å; I115-V140 PolarHBondContact N-O 2.89Å; I115-M141 HydrophobicContact CB-CE 4.28Å; I115-M141 HydrophobicContact CB-SD 4.03Å; I115-M141 HydrophobicContact CG2-CE 4.25Å; I115-M141 HydrophobicContact CG2-SD 4.46Å; I115-S142 PolarHBondContact O-N 3.33Å
116	H	92.9	Very high	82.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.9	178.9	-52.5	-97.3	0	0	0	108	H84 V85 F86 L87 T114 S142 I144 Y149 Y191	H84-H116 AromaticContact CE1-NE2 3.98Å; H84-H116 AromaticContact CG-NE2 3.79Å; H84-H116 AromaticContact ND1-CD2 3.99Å; H84-H116 AromaticContact ND1-CE1 3.85Å; H84-H116 AromaticContact ND1-NE2 2.95Å; H84-H116 PolarHBondContact ND1-NE2 2.9Å; V85-H116 PolarHBondContact O-N 2.79Å; F86-H116 CarbonylContact C-O 3.53Å; F86-H116 WeakPolarHBondContact CA-O 3.44Å; F86-H116 HydrophobicContact CB-CB 4.47Å; F86-H116 HydrophobicContact CD1-CB 3.39Å; F86-H116 AromaticContact CD1-CG 3.67Å; F86-H116 AromaticContact CD2-CD2 3.94Å; F86-H116 HydrophobicContact CE1-CB 3.63Å; F86-H116 AromaticContact CE1-CD2 3.67Å; F86-H116 AromaticContact CE1-CG 3.38Å; F86-H116 AromaticContact CE1-ND1 3.68Å; F86-H116 AromaticContact CE2-CD2 3.59Å; F86-H116 AromaticContact CE2-NE2 3.94Å; F86-H116 HydrophobicContact CG-CB 3.92Å; F86-H116 HydrophobicContact CZ-CB 4.32Å; F86-H116 AromaticContact CZ-CD2 3.44Å; F86-H116 VanDerWaalsContact CZ-CD2 3.44Å; F86-H116 WeakPolarHBondContact CZ-CD2 3.2Å; F86-H116 AromaticContact CZ-CE1 3.86Å; F86-H116 AromaticContact CZ-CG 3.65Å; F86-H116 AromaticContact CZ-ND1 3.89Å; F86-H116 AromaticContact CZ-NE2 3.62Å; L87-H116 PolarHBondContact N-O 3.01Å; T114-H116 WeakPolarHBondContact CG2-NE2 3.46Å; H116-S142 WeakPolarHBondContact ND1-CB 3.48Å; H116-S142 PolarHBondContact ND1-OG 2.77Å; H116-I144 HydrophobicContact CB-CG2 4.24Å; H116-Y149 AromaticContact CE1-CD1 3.8Å; H116-Y149 AromaticContact CE1-CD2 3.62Å; H116-Y149 AromaticContact CE1-CE2 3.87Å; H116-Y149 AromaticContact CE1-CG 3.6Å; H116-Y191 PolarHBondContact O-OH 3.1Å
117	G	84.3	Confident	82.4	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	158.5	-164.4	-176	0	0	0	0	0	112	Y191	G117-Y191 WeakPolarHBondContact CA-OH 3.5Å
118	P	76.7	Confident	82.3	Confident	4 Å²	4	44 Å²	44	3%	0.026	23%	0.231	C	C	.	.			trans	-58.1	144.3	-177.9	12.4	-22.4	0	0	0	113	M90 E120 L121 F189	M90-P118 HydrophobicContact CB-CB 4.22Å; M90-P118 HydrophobicContact CB-CG 3.61Å; M90-P118 HydrophobicContact CG-CG 4.31Å; M90-P118 HydrophobicContact SD-CG 4.15Å; P118-E120 VanDerWaalsContact CB-OE2 3.31Å; P118-E120 WeakPolarHBondContact CB-OE2 3.32Å; P118-E120 PolarHBondContact O-N 3.11Å; P118-E120 VanDerWaalsContact O-N 3.16Å; P118-L121 HydrophobicContact CG-CD1 4.07Å; P118-L121 HydrophobicContact CG-CG 4.16Å; P118-L121 WeakPolarHBondContact O-CB 3.41Å; P118-L121 WeakPolarHBondContact O-CD1 3.37Å; P118-L121 VanDerWaalsContact O-CG 3.27Å; P118-L121 WeakPolarHBondContact O-CG 3.42Å; P118-L121 PolarHBondContact O-N 3.33Å; P118-F189 HydrophobicContact CB-CE2 3.97Å; P118-F189 HydrophobicContact CB-CZ 4.34Å; P118-F189 HydrophobicContact CG-CE2 3.99Å
119	P	70.9	Confident	82.1	Confident	77 Å²	77	48.3 Å²	48.3	50%	0.5	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.2	-176.6	23.4	-32.5	0	0	0	113.8	L121 E122	P119-L121 PolarHBondContact O-N 3.35Å; P119-L121 VanDerWaalsContact O-N 3.14Å; P119-E122 PolarHBondContact O-N 3.11Å
120	E	77.6	Confident	81.5	Confident	72 Å²	72	50.7 Å²	50.7	34%	0.336	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19	179.7	-64	74.9	-163.7	0	0	113.5	M90 P118 E122 R123 L124 L582	M90-E120 HydrophobicContact CE-CB 4.1Å; M90-E120 HydrophobicContact SD-CB 4.42Å; P118-E120 VanDerWaalsContact CB-OE2 3.31Å; P118-E120 WeakPolarHBondContact CB-OE2 3.32Å; P118-E120 PolarHBondContact O-N 3.11Å; P118-E120 VanDerWaalsContact O-N 3.16Å; E120-E122 PolarHBondContact O-N 3.46Å; E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 3.4Å; E120-R123 VanDerWaalsContact O-N 3.11Å; E120-L124 PolarHBondContact O-N 2.99Å; E120-L582 HydrophobicContact CB-CD2 4.19Å
121	L	78.4	Confident	81.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-28.5	180	-72.3	168.3	0	0	0	113.8	L87 M90 T95 I115 P118 P119 R123 L124 M125 M141	L87-L121 HydrophobicContact CB-CD1 4.36Å; L87-L121 HydrophobicContact CD1-CD1 3.55Å; L87-L121 HydrophobicContact CD1-CD2 3.38Å; L87-L121 HydrophobicContact CD1-CG 4.11Å; L87-L121 HydrophobicContact CG-CD1 4.4Å; M90-L121 HydrophobicContact CE-CD2 4.43Å; M90-L121 HydrophobicContact SD-CD2 3.62Å; M90-L121 HydrophobicContact SD-CG 4Å; T95-L121 HydrophobicContact CG2-CD2 3.98Å; I115-L121 HydrophobicContact CG2-CD1 3.85Å; P118-L121 HydrophobicContact CG-CD1 4.07Å; P118-L121 HydrophobicContact CG-CG 4.16Å; P118-L121 WeakPolarHBondContact O-CB 3.41Å; P118-L121 WeakPolarHBondContact O-CD1 3.37Å; P118-L121 VanDerWaalsContact O-CG 3.27Å; P118-L121 WeakPolarHBondContact O-CG 3.42Å; P118-L121 PolarHBondContact O-N 3.33Å; P119-L121 PolarHBondContact O-N 3.35Å; P119-L121 VanDerWaalsContact O-N 3.14Å; L121-R123 PolarHBondContact O-N 3.45Å; L121-L124 HydrophobicContact CD2-CD2 4.29Å; L121-L124 WeakPolarHBondContact O-CB 3.34Å; L121-L124 PolarHBondContact O-N 3.11Å; L121-M125 PolarHBondContact O-N 3.46Å; L121-M141 HydrophobicContact CB-CE 3.43Å; L121-M141 VanDerWaalsContact CB-CE 3.43Å; L121-M141 HydrophobicContact CB-SD 4.05Å; L121-M141 HydrophobicContact CD1-CE 3.92Å; L121-M141 HydrophobicContact CG-CE 4.33Å
122	E	78.4	Confident	80.1	Confident	102 Å²	102	42.5 Å²	42.5	48%	0.477	21%	0.205	S	C	.	.	H	α-helix	trans	-60.1	-42.7	176	-157.2	-175.8	156.1	0	0	110.6	P119 E120 M125 Q126 M141	P119-E122 PolarHBondContact O-N 3.11Å; E120-E122 PolarHBondContact O-N 3.46Å; E122-M125 PolarHBondContact O-N 2.88Å; E122-Q126 VanDerWaalsContact O-CG 3.28Å; E122-Q126 WeakPolarHBondContact O-CG 3.32Å; E122-Q126 PolarHBondContact O-N 2.81Å; E122-Q126 PolarHBondContact OE1-NE2 2.84Å; E122-Q126 VanDerWaalsContact OE1-NE2 3.12Å; E122-M141 HydrophobicContact CB-CG 3.69Å; E122-M141 HydrophobicContact CB-SD 4.32Å; E122-M141 HydrophobicContact CG-CG 3.84Å
123	R	81.1	Confident	78.6	Confident	113 Å²	113	45.2 Å²	45.2	43%	0.426	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-40.4	178.6	-178.7	174	174.3	-179.3	1.4	111.1	E120 L121 M125 Q126 L127 N578 L582	E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 3.4Å; E120-R123 VanDerWaalsContact O-N 3.11Å; L121-R123 PolarHBondContact O-N 3.45Å; R123-M125 VanDerWaalsContact C-N 3.31Å; R123-M125 PolarHBondContact O-N 3.05Å; R123-Q126 PolarHBondContact O-N 3.19Å; R123-L127 HydrophobicContact CG-CD1 4.01Å; R123-L127 HydrophobicContact CG-CG 4.41Å; R123-L127 WeakPolarHBondContact O-CD1 3.37Å; R123-L127 WeakPolarHBondContact O-CG 3.49Å; R123-L127 PolarHBondContact O-N 3.47Å; R123-N578 PolarHBondContact NH2-OD1 3.3Å; R123-L582 HydrophobicContact CB-CD2 4.16Å; R123-L582 HydrophobicContact CG-CD2 4.08Å
124	L	83.5	Confident	76.7	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-50.1	174.3	179.1	65.8	0	0	0	110.7	T95 E120 L121 L127 T128 W575 L582 F583	T95-L124 HydrophobicContact CG2-CD2 4.44Å; E120-L124 PolarHBondContact O-N 2.99Å; L121-L124 HydrophobicContact CD2-CD2 4.29Å; L121-L124 WeakPolarHBondContact O-CB 3.34Å; L121-L124 PolarHBondContact O-N 3.11Å; L124-L127 WeakPolarHBondContact O-CB 3.23Å; L124-L127 PolarHBondContact O-N 3.41Å; L124-T128 WeakPolarHBondContact O-CG2 3.3Å; L124-T128 PolarHBondContact O-N 3.15Å; L124-W575 HydrophobicContact CD1-CH2 3.78Å; L124-W575 HydrophobicContact CD1-CZ3 4.31Å; L124-L582 HydrophobicContact CB-CD1 4.21Å; L124-L582 HydrophobicContact CD1-CD1 4.15Å; L124-F583 HydrophobicContact CD1-CE2 4.09Å; L124-F583 HydrophobicContact CD1-CZ 4.05Å; L124-F583 HydrophobicContact CD2-CZ 4.12Å
125	M	79.6	Confident	74.9	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-68.9	-37.3	-178.1	-65.3	-52.3	-51	0	0	112.9	L98 L99 I115 L121 E122 R123 L127 T128 I139	L98-M125 HydrophobicContact CD2-SD 3.77Å; L98-M125 HydrophobicContact CG-SD 4.12Å; L99-M125 HydrophobicContact CD1-CE 4.14Å; I115-M125 HydrophobicContact CD1-CG 4.23Å; L121-M125 PolarHBondContact O-N 3.46Å; E122-M125 PolarHBondContact O-N 2.88Å; R123-M125 VanDerWaalsContact C-N 3.31Å; R123-M125 PolarHBondContact O-N 3.05Å; M125-L127 VanDerWaalsContact C-N 3.28Å; M125-L127 PolarHBondContact O-N 3.29Å; M125-T128 PolarHBondContact O-N 3.1Å; M125-T128 PolarHBondContact O-OG1 3.23Å; M125-I139 HydrophobicContact CB-CD1 3.82Å; M125-I139 HydrophobicContact CE-CD1 3.18Å; M125-I139 HydrophobicContact CG-CD1 3.64Å; M125-I139 HydrophobicContact CG-CG2 4.19Å; M125-I139 HydrophobicContact SD-CD1 4Å
126	Q	79.9	Confident	73.3	Confident	84 Å²	84	57.2 Å²	57.2	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-38.4	173.2	-70.4	171.2	6.8	0	0	112.1	E122 R123 T128 R129	E122-Q126 VanDerWaalsContact O-CG 3.28Å; E122-Q126 WeakPolarHBondContact O-CG 3.32Å; E122-Q126 PolarHBondContact O-N 2.81Å; E122-Q126 PolarHBondContact OE1-NE2 2.84Å; E122-Q126 VanDerWaalsContact OE1-NE2 3.12Å; R123-Q126 PolarHBondContact O-N 3.19Å; Q126-T128 PolarHBondContact O-N 2.97Å; Q126-R129 WeakPolarHBondContact O-CB 3.23Å; Q126-R129 WeakPolarHBondContact O-CG 3.4Å; Q126-R129 PolarHBondContact O-N 3.45Å
127	L	79.7	Confident	71.6	Confident	20 Å²	20	57.5 Å²	57.5	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-70.3	-18.6	178.4	-69.1	163	0	0	0	113.8	R123 L124 M125 R129 P130 F131 W575 N578 L582	R123-L127 HydrophobicContact CG-CD1 4.01Å; R123-L127 HydrophobicContact CG-CG 4.41Å; R123-L127 WeakPolarHBondContact O-CD1 3.37Å; R123-L127 WeakPolarHBondContact O-CG 3.49Å; R123-L127 PolarHBondContact O-N 3.47Å; L124-L127 WeakPolarHBondContact O-CB 3.23Å; L124-L127 PolarHBondContact O-N 3.41Å; M125-L127 VanDerWaalsContact C-N 3.28Å; M125-L127 PolarHBondContact O-N 3.29Å; L127-R129 VanDerWaalsContact C-N 3.35Å; L127-P130 WeakPolarHBondContact O-CD 3.03Å; L127-F131 WeakPolarHBondContact O-CE1 3.35Å; L127-W575 HydrophobicContact CB-CE3 4.14Å; L127-W575 HydrophobicContact CB-CZ3 3.72Å; L127-W575 HydrophobicContact CD1-CZ3 4.37Å; L127-N578 HydrophobicContact CD1-CB 3.42Å; L127-N578 VanDerWaalsContact CD1-CB 3.42Å; L127-N578 HydrophobicContact CD2-CB 3.87Å; L127-N578 VanDerWaalsContact CD2-CG 3.41Å; L127-N578 WeakPolarHBondContact CD2-ND2 3.43Å; L127-N578 HydrophobicContact CG-CB 4.27Å; L127-L582 HydrophobicContact CD1-CD1 3.37Å; L127-L582 HydrophobicContact CD1-CG 4.43Å
128	T	77.6	Confident	70.8	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.031	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12	175.7	69.6	0	0	0	0	114.5	L99 L124 M125 Q126 P130 F131 T132 W575	L99-T128 HydrophobicContact CD1-CG2 3.97Å; L99-T128 HydrophobicContact CD2-CG2 4.14Å; L124-T128 WeakPolarHBondContact O-CG2 3.3Å; L124-T128 PolarHBondContact O-N 3.15Å; M125-T128 PolarHBondContact O-N 3.1Å; M125-T128 PolarHBondContact O-OG1 3.23Å; Q126-T128 PolarHBondContact O-N 2.97Å; T128-P130 VanDerWaalsContact C-CD 3.46Å; T128-F131 HydrophobicContact CG2-CE2 3.72Å; T128-F131 HydrophobicContact CG2-CZ 3.73Å; T128-F131 WeakPolarHBondContact O-CD2 3.43Å; T128-F131 PolarHBondContact O-N 3.08Å; T128-T132 PolarHBondContact O-N 2.59Å; T128-T132 VanDerWaalsContact O-N 3.13Å; T128-T132 PolarHBondContact O-OG1 3.16Å; T128-W575 HydrophobicContact CG2-CH2 4.3Å
129	R	77.1	Confident	70.6	Confident	146 Å²	146	64.5 Å²	64.5	55%	0.551	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-60.2	-38.1	-178.9	-67.2	179.2	176.6	175.1	0.9	114.6	Q126 L127 F131 T132	Q126-R129 WeakPolarHBondContact O-CB 3.23Å; Q126-R129 WeakPolarHBondContact O-CG 3.4Å; Q126-R129 PolarHBondContact O-N 3.45Å; L127-R129 VanDerWaalsContact C-N 3.35Å; R129-F131 PolarHBondContact O-N 3.15Å; R129-T132 PolarHBondContact O-N 2.93Å
130	P	71.3	Confident	71	Confident	106 Å²	106	63.4 Å²	63.4	69%	0.688	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-63.9	-27.7	-179.9	-23.8	36.1	0	0	0	114	L127 T128	L127-P130 WeakPolarHBondContact O-CD 3.03Å; T128-P130 VanDerWaalsContact C-CD 3.46Å
131	F	73.8	Confident	71.3	Confident	15 Å²	15	61.7 Å²	61.7	7%	0.066	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-107	2.3	-178.6	43.7	-95.9	0	0	0	114.5	L99 L127 T128 R129 M533 A535 W575	L99-F131 HydrophobicContact CD2-CD2 4.02Å; L99-F131 HydrophobicContact CD2-CE2 3.58Å; L127-F131 WeakPolarHBondContact O-CE1 3.35Å; T128-F131 HydrophobicContact CG2-CE2 3.72Å; T128-F131 HydrophobicContact CG2-CZ 3.73Å; T128-F131 WeakPolarHBondContact O-CD2 3.43Å; T128-F131 PolarHBondContact O-N 3.08Å; R129-F131 PolarHBondContact O-N 3.15Å; F131-M533 HydrophobicContact CB-CB 4.42Å; F131-M533 WeakPolarHBondContact CB-O 3.47Å; F131-A535 HydrophobicContact CD2-CB 4.45Å; F131-W575 AromaticContact CE1-CD2 3.86Å; F131-W575 HydrophobicContact CE1-CD2 3.86Å; F131-W575 AromaticContact CE1-CE3 3.92Å; F131-W575 HydrophobicContact CE1-CE3 3.92Å; F131-W575 HydrophobicContact CE1-CG 4.21Å; F131-W575 HydrophobicContact CE1-CZ3 4.4Å; F131-W575 AromaticContact CZ-CD2 3.85Å; F131-W575 HydrophobicContact CZ-CD2 3.85Å; F131-W575 AromaticContact CZ-CE2 3.79Å; F131-W575 AromaticContact CZ-CE3 3.93Å; F131-W575 HydrophobicContact CZ-CE3 3.93Å; F131-W575 HydrophobicContact CZ-CH2 4.02Å; F131-W575 AromaticContact CZ-CZ2 3.91Å; F131-W575 HydrophobicContact CZ-CZ2 3.91Å; F131-W575 HydrophobicContact CZ-CZ3 4.03Å
132	T	63.1	Low	71.5	Confident	10 Å²	10	62.3 Å²	62.3	6%	0.061	31%	0.311	C	S	.	.	S	Bend	trans	-113.9	115.5	168.6	53.1	0	0	0	0	107.5	L99 L103 T128 R129 C134	L99-T132 HydrophobicContact CD1-CG2 3.72Å; L99-T132 HydrophobicContact CD2-CG2 4.2Å; L99-T132 HydrophobicContact CG-CG2 4.25Å; L103-T132 HydrophobicContact CD1-CG2 3.92Å; L103-T132 HydrophobicContact CD2-CG2 4.01Å; L103-T132 HydrophobicContact CG-CG2 4.39Å; T128-T132 PolarHBondContact O-N 2.59Å; T128-T132 VanDerWaalsContact O-N 3.13Å; T128-T132 PolarHBondContact O-OG1 3.16Å; R129-T132 PolarHBondContact O-N 2.93Å; T132-C134 PolarHBondContact O-N 2.93Å
133	N	53.9	Low	71.8	Confident	164 Å²	164	63 Å²	63	88%	0.877	31%	0.313	S	S	*	.	S	Bend	trans	-72.2	30.4	-177.2	-142.8	11.5	0	0	0	112.8
134	C	49.4	Very low	72	Confident	55 Å²	55	57.9 Å²	57.9	37%	0.372	30%	0.295	S	S	.	.	S	Bend	trans	-140.2	129.1	-168.4	-88.6	0	0	0	0	109.6	K106 T132 T136	K106-C134 PolarHBondContact NZ-SG 3.45Å; K106-C134 VanDerWaalsContact NZ-SG 3.39Å; T132-C134 PolarHBondContact O-N 2.93Å; C134-T136 VanDerWaalsContact C-N 3.31Å; C134-T136 PolarHBondContact O-N 2.83Å
135	K	53.2	Low	71.9	Confident	193 Å²	193	61.5 Å²	61.5	84%	0.839	31%	0.311	S	S	*	.			trans	-52.9	104.7	148.2	-62	-179.2	-179.5	-178.5	0	105.2	K106	K106-K135 VanDerWaalsContact CE-O 3.27Å; K106-K135 WeakPolarHBondContact CE-O 3.39Å; K106-K135 PolarHBondContact NZ-O 2.89Å
136	T	56.5	Low	72.1	Confident	17 Å²	17	67.9 Å²	67.9	10%	0.104	34%	0.339	C	S	.	.			trans	-54.9	171.5	-176.6	50.9	0	0	0	0	110.2	C134 D138	C134-T136 VanDerWaalsContact C-N 3.31Å; C134-T136 PolarHBondContact O-N 2.83Å; T136-D138 PolarHBondContact O-N 2.8Å
137	T	57.2	Low	72.4	Confident	6 Å²	6	71.7 Å²	71.7	4%	0.037	35%	0.354	C	S	.	.	S	Bend	trans	-43.4	145.4	159.5	-55.5	0	0	0	0	109	K106 V110 K111 L113 I139	K106-T137 VanDerWaalsContact CB-OG1 3.25Å; K106-T137 WeakPolarHBondContact CB-OG1 3.48Å; V110-T137 HydrophobicContact CG1-CG2 4.32Å; V110-T137 WeakPolarHBondContact O-CG2 3.22Å; K111-T137 VanDerWaalsContact C-CG2 3.44Å; K111-T137 VanDerWaalsContact O-CG2 3.31Å; K111-T137 WeakPolarHBondContact O-CG2 3.44Å; L113-T137 HydrophobicContact CB-CG2 3.82Å; L113-T137 VanDerWaalsContact N-CG2 3.35Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 WeakPolarHBondContact O-CG1 3.38Å; T137-I139 PolarHBondContact O-N 3.43Å
138	D	68.1	Low	72.9	Confident	120 Å²	120	73.2 Å²	73.2	64%	0.642	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	101.6	173.8	-73.8	-26	0	0	0	107.3	K111 L113 T136 V140	K111-D138 PolarHBondContact O-N 2.81Å; L113-D138 PolarHBondContact N-O 3.49Å; L113-D138 VanDerWaalsContact N-O 3.09Å; T136-D138 PolarHBondContact O-N 2.8Å; D138-V140 PolarHBondContact O-N 2.8Å
139	I	72.5	Confident	73.7	Confident	33 Å²	33	75.1 Å²	75.1	17%	0.169	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.5	177.3	-72.4	166.4	0	0	0	105.4	L113 I115 M125 T137 M141	L113-I139 WeakPolarHBondContact O-CA 3.19Å; I115-I139 HydrophobicContact CD1-CG1 4.42Å; I115-I139 HydrophobicContact CD1-CG2 3.48Å; I115-I139 VanDerWaalsContact CD1-CG2 3.48Å; I115-I139 HydrophobicContact CG1-CG2 3.93Å; M125-I139 HydrophobicContact CB-CD1 3.82Å; M125-I139 HydrophobicContact CE-CD1 3.18Å; M125-I139 HydrophobicContact CG-CD1 3.64Å; M125-I139 HydrophobicContact CG-CG2 4.19Å; M125-I139 HydrophobicContact SD-CD1 4Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 WeakPolarHBondContact O-CG1 3.38Å; T137-I139 PolarHBondContact O-N 3.43Å; I139-M141 HydrophobicContact CG2-SD 4.3Å
140	V	79.8	Confident	74.4	Confident	53 Å²	53	71.9 Å²	71.9	32%	0.321	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.6	180	178.7	0	0	0	0	107.6	K112 L113 T114 I115 D138	K112-V140 HydrophobicContact CD-CG2 4.04Å; K112-V140 VanDerWaalsContact CE-CG2 3.48Å; K112-V140 HydrophobicContact CG-CG2 4.01Å; L113-V140 PolarHBondContact O-N 3.13Å; L113-V140 VanDerWaalsContact O-N 3.1Å; T114-V140 CarbonylContact C-O 3.54Å; T114-V140 WeakPolarHBondContact CA-O 3.33Å; T114-V140 WeakPolarHBondContact CG2-O 3.27Å; I115-V140 PolarHBondContact N-O 2.89Å; D138-V140 PolarHBondContact O-N 2.8Å
141	M	82.6	Confident	75.4	Confident	36 Å²	36	68.4 Å²	68.4	18%	0.177	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.2	172.8	-63.7	-49.8	-55.7	0	0	109.7	I115 L121 E122 I139	I115-M141 HydrophobicContact CB-CE 4.28Å; I115-M141 HydrophobicContact CB-SD 4.03Å; I115-M141 HydrophobicContact CG2-CE 4.25Å; I115-M141 HydrophobicContact CG2-SD 4.46Å; L121-M141 HydrophobicContact CB-CE 3.43Å; L121-M141 VanDerWaalsContact CB-CE 3.43Å; L121-M141 HydrophobicContact CB-SD 4.05Å; L121-M141 HydrophobicContact CD1-CE 3.92Å; L121-M141 HydrophobicContact CG-CE 4.33Å; E122-M141 HydrophobicContact CB-CG 3.69Å; E122-M141 HydrophobicContact CB-SD 4.32Å; E122-M141 HydrophobicContact CG-CG 3.84Å; I139-M141 HydrophobicContact CG2-SD 4.3Å
142	S	83.6	Confident	76.1	Confident	15 Å²	15	70.9 Å²	70.9	11%	0.105	36%	0.359	C	S	.	.			trans	-81.4	141.3	176.3	-174.4	0	0	0	0	111.3	I115 H116 I144	I115-S142 PolarHBondContact O-N 3.33Å; H116-S142 WeakPolarHBondContact ND1-CB 3.48Å; H116-S142 PolarHBondContact ND1-OG 2.77Å; S142-I144 PolarHBondContact O-N 3.35Å; S142-I144 VanDerWaalsContact O-N 3.15Å; S142-I144 PolarHBondContact OG-N 2.96Å
143	E	83.8	Confident	77.5	Confident	115 Å²	115	70.7 Å²	70.7	54%	0.537	36%	0.358	S	S	.	.			trans	-84.7	33.8	168.4	-58.5	-163.5	113.9	0	0	112.3	H145 K146 K147	E143-H145 PolarHBondContact O-N 2.99Å; E143-H145 VanDerWaalsContact O-N 3.12Å; E143-K146 HydrophobicContact CB-CD 4.42Å; E143-K146 PolarHBondContact O-N 3.45Å; E143-K146 IonicContact OE1-NZ 3.71Å; E143-K146 PolarHBondContact OE1-NZ 2.87Å; E143-K147 PolarHBondContact O-N 3.03Å
144	I	86.8	Confident	79.5	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.031	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.8	-170.5	-164	169.2	0	0	0	112.4	F86 H116 S142 K146 K147 V156 S158 Y191	F86-I144 HydrophobicContact CD1-CD1 4.43Å; F86-I144 HydrophobicContact CE1-CD1 3.83Å; H116-I144 HydrophobicContact CB-CG2 4.24Å; S142-I144 PolarHBondContact O-N 3.35Å; S142-I144 VanDerWaalsContact O-N 3.15Å; S142-I144 PolarHBondContact OG-N 2.96Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 2.89Å; I144-K147 CarbonylContact C-O 3.55Å; I144-K147 VanDerWaalsContact CA-O 3.28Å; I144-K147 WeakPolarHBondContact CA-O 3.36Å; I144-K147 CarbonylContact O-C 3.59Å; I144-V156 HydrophobicContact CD1-CB 4.11Å; I144-V156 HydrophobicContact CD1-CG1 3.9Å; I144-S158 PolarHBondContact O-OG 3.38Å; I144-S158 VanDerWaalsContact O-OG 3.06Å; I144-Y191 HydrophobicContact CD1-CD1 4.3Å; I144-Y191 HydrophobicContact CD1-CE1 4.31Å; I144-Y191 HydrophobicContact CG2-CE1 4.45Å
145	H	80.7	Confident	81.7	Confident	82 Å²	82	62.1 Å²	62.1	38%	0.38	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.3	175.3	58.8	-87.8	0	0	0	113.8	E143	E143-H145 PolarHBondContact O-N 2.99Å; E143-H145 VanDerWaalsContact O-N 3.12Å
146	K	83.2	Confident	83.8	Confident	144 Å²	144	53 Å²	53	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-35	176.2	-52.9	-176.9	-171	162.7	0	112.1	E143 I144	E143-K146 HydrophobicContact CB-CD 4.42Å; E143-K146 PolarHBondContact O-N 3.45Å; E143-K146 IonicContact OE1-NZ 3.71Å; E143-K146 PolarHBondContact OE1-NZ 2.87Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 2.89Å
147	K	86.8	Confident	85.6	Confident	165 Å²	165	53.5 Å²	53.5	72%	0.717	27%	0.267	S	S	*	.	S	Bend	trans	-148.8	138.2	-173.6	-177.6	-176.7	174.9	-178	0	109.9	E143 I144 Y149	E143-K147 PolarHBondContact O-N 3.03Å; I144-K147 CarbonylContact C-O 3.55Å; I144-K147 VanDerWaalsContact CA-O 3.28Å; I144-K147 WeakPolarHBondContact CA-O 3.36Å; I144-K147 CarbonylContact O-C 3.59Å; K147-Y149 PolarHBondContact O-N 2.96Å
148	C	90.1	Very high	87.4	Confident	51 Å²	51	54.2 Å²	54.2	35%	0.345	27%	0.272	S	S	.	.			trans	-49.5	134.3	173.1	-45.7	0	0	0	0	111.2	R155 V156 Q157	C148-R155 HydrophobicContact CB-CG 4.34Å; C148-V156 CarbonylContact C-O 3.56Å; C148-V156 WeakPolarHBondContact CA-O 3.4Å; C148-Q157 HydrophobicContact CB-CG 4.25Å
149	Y	93.5	Very high	88.6	Confident	46 Å²	46	48.9 Å²	48.9	18%	0.18	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	143.9	172.2	177.2	-105.6	0	0	0	109.5	H84 F86 H116 K147 D151 R155 V156	H84-Y149 AromaticContact CE1-CZ 3.54Å; H84-Y149 PolarHBondContact CE1-OH 3.15Å; H84-Y149 AromaticContact ND1-CZ 3.96Å; H84-Y149 PolarHBondContact NE2-OH 2.99Å; F86-Y149 HydrophobicContact CZ-CD1 4.38Å; H116-Y149 AromaticContact CE1-CD1 3.8Å; H116-Y149 AromaticContact CE1-CD2 3.62Å; H116-Y149 AromaticContact CE1-CE2 3.87Å; H116-Y149 AromaticContact CE1-CG 3.6Å; K147-Y149 PolarHBondContact O-N 2.96Å; Y149-D151 HydrophobicContact CE1-CB 4.08Å; Y149-D151 WeakPolarHBondContact OH-CB 3.47Å; Y149-R155 CarbonylContact O-C 3.51Å; Y149-R155 WeakPolarHBondContact O-CA 3.38Å; Y149-V156 HydrophobicContact CD1-CB 4.46Å; Y149-V156 HydrophobicContact CD1-CG2 4.16Å; Y149-V156 PolarHBondContact N-O 2.86Å; Y149-V156 PolarHBondContact O-N 3.3Å
150	T	93	Very high	89.5	Confident	77 Å²	77	51 Å²	51	47%	0.472	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	133	177.1	-57.3	0	0	0	0	110.1	F154 F196	T150-F154 WeakPolarHBondContact CA-O 3.15Å; T150-F196 HydrophobicContact CG2-CE2 3.72Å; T150-F196 HydrophobicContact CG2-CZ 3.53Å
151	D	92.1	Very high	90.2	Very high	33 Å²	33	48.6 Å²	48.6	18%	0.176	24%	0.238	C	C	.	.			trans	-132.3	-164.2	170.2	68.9	10.2	0	0	0	110.8	Y60 Y149 A153 F154 F196	Y60-D151 VanDerWaalsContact CE1-OD2 3.23Å; Y60-D151 WeakPolarHBondContact CE1-OD2 3.28Å; Y60-D151 VanDerWaalsContact CZ-OD2 3.32Å; Y60-D151 PolarHBondContact OH-OD2 3.4Å; Y149-D151 HydrophobicContact CE1-CB 4.08Å; Y149-D151 WeakPolarHBondContact OH-CB 3.47Å; D151-A153 PolarHBondContact O-N 3.06Å; D151-A153 WeakPolarHBondContact OD1-CA 3.29Å; D151-A153 PolarHBondContact OD1-N 3.43Å; D151-F154 PolarHBondContact N-O 3.41Å; D151-F154 PolarHBondContact OD1-N 3.26Å; D151-F196 WeakPolarHBondContact O-CE2 3.42Å
152	D	88	Confident	90.5	Very high	68 Å²	68	51.4 Å²	51.4	36%	0.364	25%	0.249	S	C	.	.	S	Bend	trans	-68.6	-18	179.3	-62.1	-49.3	0	0	0	113.6	I29	I29-D152 HydrophobicContact CB-CB 4.07Å
153	A	92.8	Very high	90.5	Very high	5 Å²	5	54.3 Å²	54.3	4%	0.041	26%	0.26	C	S	.	.	S	Bend	trans	-106.7	-42.6	-173.9	0	0	0	0	0	113.3	P32 T55 D151 P195 F196	P32-A153 HydrophobicContact CG-CB 3.79Å; T55-A153 HydrophobicContact CG2-CB 4.2Å; D151-A153 PolarHBondContact O-N 3.06Å; D151-A153 WeakPolarHBondContact OD1-CA 3.29Å; D151-A153 PolarHBondContact OD1-N 3.43Å; A153-P195 CarbonylContact O-C 3.56Å; A153-P195 VanDerWaalsContact O-CA 3.23Å; A153-P195 WeakPolarHBondContact O-CA 3.21Å; A153-F196 PolarHBondContact O-N 2.88Å
154	F	95.6	Very high	90.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145	-169.8	-57.4	-79.3	0	0	0	112.9	I35 I53 T55 Y60 T150 D151 V156 F193 Q194 P195 M254	I35-F154 HydrophobicContact CD1-CE1 4.02Å; I35-F154 HydrophobicContact CD1-CZ 4.04Å; I35-F154 HydrophobicContact CG2-CE1 4.42Å; I35-F154 HydrophobicContact CG2-CZ 3.99Å; I53-F154 HydrophobicContact CG2-CE2 4.33Å; I53-F154 HydrophobicContact CG2-CZ 3.89Å; T55-F154 HydrophobicContact CG2-CE2 3.56Å; T55-F154 HydrophobicContact CG2-CZ 3.85Å; Y60-F154 AromaticContact CD2-CE2 3.95Å; Y60-F154 HydrophobicContact CD2-CE2 3.95Å; Y60-F154 HydrophobicContact CE1-CD2 4.05Å; Y60-F154 HydrophobicContact CE1-CE2 4.4Å; Y60-F154 HydrophobicContact CE2-CD2 4.01Å; Y60-F154 AromaticContact CE2-CE2 3.56Å; Y60-F154 HydrophobicContact CE2-CE2 3.56Å; Y60-F154 AromaticContact CZ-CD2 3.74Å; Y60-F154 AromaticContact CZ-CE2 3.8Å; T150-F154 WeakPolarHBondContact CA-O 3.15Å; D151-F154 PolarHBondContact N-O 3.41Å; D151-F154 PolarHBondContact OD1-N 3.26Å; F154-V156 HydrophobicContact CB-CG2 3.82Å; F154-F193 HydrophobicContact CB-CD1 4.38Å; F154-F193 HydrophobicContact CD1-CB 4.31Å; F154-F193 HydrophobicContact CD1-CD1 4.16Å; F154-F193 HydrophobicContact CD2-CD1 4.43Å; F154-F193 HydrophobicContact CG-CD1 4.09Å; F154-Q194 WeakPolarHBondContact CA-O 3.14Å; F154-P195 HydrophobicContact CD1-CB 3.62Å; F154-P195 HydrophobicContact CD1-CG 4.07Å; F154-P195 HydrophobicContact CE1-CB 3.53Å; F154-P195 HydrophobicContact CE1-CG 3.83Å; F154-M254 HydrophobicContact CD1-CE 4.26Å; F154-M254 HydrophobicContact CE1-CE 3.53Å; F154-M254 HydrophobicContact CZ-CE 4.1Å
155	R	95.4	Very high	89.1	Confident	40 Å²	40	55.4 Å²	55.4	15%	0.151	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.1	147.2	-174.2	179.1	80.6	-174.5	11.5	107.8	C148 Y149 Q194 F196 E282 L287	C148-R155 HydrophobicContact CB-CG 4.34Å; Y149-R155 CarbonylContact O-C 3.51Å; Y149-R155 WeakPolarHBondContact O-CA 3.38Å; R155-Q194 HydrophobicContact CB-CB 4.46Å; R155-Q194 PolarHBondContact N-O 3.47Å; R155-Q194 VanDerWaalsContact NH2-CD 3.28Å; R155-Q194 VanDerWaalsContact NH2-NE2 3.16Å; R155-Q194 PolarHBondContact O-N 3.48Å; R155-F196 HydrophobicContact CB-CZ 4.24Å; R155-E282 IonicContact CZ-OE1 3.97Å; R155-E282 IonicContact CZ-OE2 3.84Å; R155-E282 VanDerWaalsContact CZ-OE2 3.32Å; R155-E282 IonicContact NH1-OE1 2.75Å; R155-E282 IonicContact NH1-OE2 3.35Å; R155-E282 PolarHBondContact NH1-OE2 3.35Å; R155-E282 IonicContact NH2-OE1 3.96Å; R155-E282 PolarHBondContact NH2-OE1 2.97Å; R155-E282 IonicContact NH2-OE2 3.79Å; R155-E282 PolarHBondContact NH2-OE2 3.42Å; R155-E282 VanDerWaalsContact NH2-OE2 3.07Å; R155-L287 HydrophobicContact CB-CD1 4.22Å; R155-L287 HydrophobicContact CB-CD2 4.27Å
156	V	96.8	Very high	88	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.2	178.7	-166.9	0	0	0	0	110.1	F86 I144 C148 Y149 F154 Y192 F193	F86-V156 HydrophobicContact CD1-CG1 4.45Å; F86-V156 HydrophobicContact CE1-CB 4.29Å; F86-V156 HydrophobicContact CE1-CG1 3.77Å; F86-V156 HydrophobicContact CE1-CG2 4.43Å; F86-V156 HydrophobicContact CZ-CG1 4.39Å; F86-V156 HydrophobicContact CZ-CG2 4.26Å; I144-V156 HydrophobicContact CD1-CB 4.11Å; I144-V156 HydrophobicContact CD1-CG1 3.9Å; C148-V156 CarbonylContact C-O 3.56Å; C148-V156 WeakPolarHBondContact CA-O 3.4Å; Y149-V156 HydrophobicContact CD1-CB 4.46Å; Y149-V156 HydrophobicContact CD1-CG2 4.16Å; Y149-V156 PolarHBondContact N-O 2.86Å; Y149-V156 PolarHBondContact O-N 3.3Å; F154-V156 HydrophobicContact CB-CG2 3.82Å; V156-Y192 WeakPolarHBondContact CA-O 3.48Å; V156-F193 HydrophobicContact CB-CD1 4.48Å; V156-F193 HydrophobicContact CG1-CD1 4.18Å; V156-F193 HydrophobicContact CG1-CD2 3.88Å; V156-F193 HydrophobicContact CG1-CE1 4.11Å; V156-F193 HydrophobicContact CG1-CE2 3.83Å; V156-F193 HydrophobicContact CG1-CG 4.06Å; V156-F193 HydrophobicContact CG1-CZ 3.93Å; V156-F193 HydrophobicContact CG2-CD1 3.47Å; V156-F193 VanDerWaalsContact CG2-CD1 3.47Å; V156-F193 HydrophobicContact CG2-CE1 3.6Å; V156-F193 HydrophobicContact CG2-CG 4.02Å; V156-F193 HydrophobicContact CG2-CZ 4.26Å
157	Q	95.1	Very high	86.4	Confident	28 Å²	28	58.2 Å²	58.2	13%	0.131	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.6	173.5	-56.5	-174.9	-45.5	0	0	109.5	C148 F159 Y191 Y192 S277	C148-Q157 HydrophobicContact CB-CG 4.25Å; Q157-F159 HydrophobicContact CB-CE2 4.06Å; Q157-F159 HydrophobicContact CB-CZ 4.09Å; Q157-Y191 WeakPolarHBondContact O-CA 3.49Å; Q157-Y192 PolarHBondContact N-O 2.78Å; Q157-Y192 PolarHBondContact O-N 2.84Å; Q157-S277 PolarHBondContact OE1-OG 2.86Å
158	S	95	Very high	84.5	Confident	21 Å²	21	58.3 Å²	58.3	15%	0.147	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.8	174.5	62.7	0	0	0	0	110.5	I144 M190	I144-S158 PolarHBondContact O-OG 3.38Å; I144-S158 VanDerWaalsContact O-OG 3.06Å; S158-M190 CarbonylContact C-O 3.43Å; S158-M190 VanDerWaalsContact CA-O 3.29Å; S158-M190 WeakPolarHBondContact CA-O 3.25Å
159	F	93.7	Very high	82.2	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.039	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.7	174.2	-54	-85.2	0	0	0	109	Q157 F189 M190 E273 F274	Q157-F159 HydrophobicContact CB-CE2 4.06Å; Q157-F159 HydrophobicContact CB-CZ 4.09Å; F159-F189 WeakPolarHBondContact O-CA 3.32Å; F159-M190 HydrophobicContact CB-CB 4.34Å; F159-M190 HydrophobicContact CB-CE 4.16Å; F159-M190 PolarHBondContact N-O 3.27Å; F159-M190 PolarHBondContact O-N 3.26Å; F159-E273 HydrophobicContact CD1-CG 4.38Å; F159-E273 HydrophobicContact CE1-CG 4.33Å; F159-F274 HydrophobicContact CB-CB 4.46Å; F159-F274 HydrophobicContact CD1-CB 3.88Å; F159-F274 HydrophobicContact CD2-CB 4.34Å; F159-F274 AromaticContact CD2-CD2 3.77Å; F159-F274 HydrophobicContact CD2-CD2 3.77Å; F159-F274 HydrophobicContact CD2-CG 4.47Å; F159-F274 HydrophobicContact CE1-CB 4.21Å; F159-F274 AromaticContact CE2-CD2 3.76Å; F159-F274 HydrophobicContact CE2-CD2 3.76Å; F159-F274 HydrophobicContact CG-CB 3.96Å; F159-F274 HydrophobicContact CG-CD2 4.25Å; F159-F274 HydrophobicContact CZ-CD2 4.24Å
160	Q	92.2	Very high	79.2	Confident	77 Å²	77	66.4 Å²	66.4	36%	0.36	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.1	179.8	-169.2	174.1	9.2	0	0	110.1	F162 S187 V188 F189	Q160-F162 HydrophobicContact CB-CE2 4.31Å; Q160-F162 HydrophobicContact CG-CE1 4.37Å; Q160-F162 HydrophobicContact CG-CE2 3.87Å; Q160-F162 HydrophobicContact CG-CZ 3.75Å; Q160-S187 PolarHBondContact NE2-OG 2.82Å; Q160-V188 CarbonylContact C-O 3.53Å; Q160-V188 WeakPolarHBondContact CA-O 3.31Å; Q160-F189 HydrophobicContact CB-CD1 4.11Å; Q160-F189 HydrophobicContact CB-CE1 3.84Å; Q160-F189 HydrophobicContact CG-CD1 4.22Å; Q160-F189 HydrophobicContact CG-CE1 3.67Å; Q160-F189 HydrophobicContact CG-CZ 3.92Å
161	I	92.5	Very high	76.6	Confident	3 Å²	3	67 Å²	67	2%	0.015	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.6	-177.5	-49.6	-59.4	0	0	0	108.3	S187 V188 M190 Y264 A267 F268 N271	I161-S187 CarbonylContact O-C 3.33Å; I161-S187 VanDerWaalsContact O-CA 3.25Å; I161-S187 WeakPolarHBondContact O-CA 3.48Å; I161-V188 HydrophobicContact CB-CB 4.4Å; I161-V188 PolarHBondContact N-O 2.84Å; I161-V188 PolarHBondContact O-N 2.86Å; I161-M190 HydrophobicContact CD1-CE 3.68Å; I161-M190 HydrophobicContact CG1-CE 3.96Å; I161-M190 HydrophobicContact CG1-CG 4.28Å; I161-Y264 HydrophobicContact CG2-CD1 4.47Å; I161-A267 HydrophobicContact CG2-CB 3.71Å; I161-F268 HydrophobicContact CB-CE1 4.27Å; I161-F268 HydrophobicContact CG1-CD1 4.02Å; I161-F268 HydrophobicContact CG1-CE1 3.74Å; I161-F268 HydrophobicContact CG1-CZ 4.49Å; I161-F268 HydrophobicContact CG2-CD1 4.28Å; I161-F268 HydrophobicContact CG2-CE1 4.23Å; I161-F268 HydrophobicContact CG2-CG 4.49Å; I161-F268 HydrophobicContact CG2-CZ 4.39Å; I161-N271 HydrophobicContact CD1-CB 4.05Å; I161-N271 WeakPolarHBondContact CD1-ND2 3.37Å
162	F	89.5	Confident	74.2	Confident	94 Å²	94	69.7 Å²	69.7	41%	0.412	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.5	179.1	-63.3	-88.7	0	0	0	110.1	Q160 E185 A267	Q160-F162 HydrophobicContact CB-CE2 4.31Å; Q160-F162 HydrophobicContact CG-CE1 4.37Å; Q160-F162 HydrophobicContact CG-CE2 3.87Å; Q160-F162 HydrophobicContact CG-CZ 3.75Å; F162-E185 HydrophobicContact CD1-CB 4.24Å; F162-E185 WeakPolarHBondContact CD1-OE2 3.35Å; F162-A267 WeakPolarHBondContact O-CB 3.45Å
163	K	83.7	Confident	71.8	Confident	77 Å²	77	75.6 Å²	75.6	34%	0.335	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-62.8	130.5	170.6	-168.4	178.8	-179.5	176.2	0	108.7	T165 D263 Y264	K163-T165 PolarHBondContact O-N 3.37Å; K163-D263 WeakPolarHBondContact CE-OD2 3.31Å; K163-D263 HydrophobicContact CG-CB 4.46Å; K163-D263 IonicContact NZ-OD2 3.52Å; K163-D263 PolarHBondContact NZ-OD2 3.38Å; K163-Y264 HydrophobicContact CB-CD1 4.37Å; K163-Y264 HydrophobicContact CB-CE1 3.69Å; K163-Y264 HydrophobicContact CB-CE2 4.29Å; K163-Y264 HydrophobicContact CD-CE2 4.24Å; K163-Y264 HydrophobicContact CG-CE1 4.31Å; K163-Y264 HydrophobicContact CG-CE2 4.09Å
164	P	78.2	Confident	69	Low	59 Å²	59	81.2 Å²	81.2	38%	0.383	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-56.2	128.1	174.2	-23.2	33	0	0	0	110.8	D263 A267	P164-D263 WeakPolarHBondContact CD-O 3.2Å; P164-D263 VanDerWaalsContact CG-O 3.28Å; P164-D263 WeakPolarHBondContact CG-O 2.93Å; P164-A267 HydrophobicContact CG-CB 4.17Å
165	T	64.3	Low	66.1	Low	84 Å²	84	90.5 Å²	90.5	52%	0.515	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-70.3	137.8	168	29	0	0	0	0	109.3	K163 V167	K163-T165 PolarHBondContact O-N 3.37Å; T165-V167 PolarHBondContact O-N 2.77Å; T165-V167 VanDerWaalsContact O-N 3.14Å
166	N	55.9	Low	63.1	Low	148 Å²	148	99.1 Å²	99.1	79%	0.791	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-57.8	122.1	173	-83.6	-31.4	0	0	0	108.6	N168 E169	N166-N168 PolarHBondContact O-N 2.74Å; N166-E169 PolarHBondContact O-N 2.84Å; N166-E169 VanDerWaalsContact O-N 3.16Å
167	V	50	Low	60	Low	138 Å²	138	108.3 Å²	108.3	84%	0.836	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-2.8	-169.7	-176.3	0	0	0	0	114.2	T165 E169	T165-V167 PolarHBondContact O-N 2.77Å; T165-V167 VanDerWaalsContact O-N 3.14Å; V167-E169 VanDerWaalsContact C-N 3.27Å; V167-E169 PolarHBondContact O-N 2.89Å
168	N	48.1	Very low	57.1	Low	166 Å²	166	115.4 Å²	115.4	89%	0.888	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-1.8	174.5	-67.8	-11.5	0	0	0	113.7	N166	N166-N168 PolarHBondContact O-N 2.74Å
169	E	41.1	Very low	54	Low	135 Å²	135	120.2 Å²	120.2	63%	0.631	58%	0.578	S	S	*	*	S	Bend	trans	-111.9	129	170.1	-64.9	-170.7	-178.1	0	0	110.7	N166 V167	N166-E169 PolarHBondContact O-N 2.84Å; N166-E169 VanDerWaalsContact O-N 3.16Å; V167-E169 VanDerWaalsContact C-N 3.27Å; V167-E169 PolarHBondContact O-N 2.89Å
170	E	31.1	Very low	50.9	Low	133 Å²	133	128.1 Å²	128.1	62%	0.621	62%	0.619	S	S	*	*			trans	-53	143.6	-177.8	-85.9	-158.5	133.6	0	0	112.5	V172 K174	E170-V172 PolarHBondContact O-N 3.46Å; E170-K174 IonicContact OE1-NZ 3.07Å; E170-K174 PolarHBondContact OE1-NZ 3.01Å; E170-K174 IonicContact OE2-NZ 3.59Å
171	P	37.5	Very low	48.2	Very low	90 Å²	90	131.6 Å²	131.6	58%	0.584	64%	0.64	S	S	*	*			trans	-58.8	129.1	177.8	20.9	-30.5	0	0	0	112.4	Y173 K174	P171-Y173 PolarHBondContact O-N 2.89Å; P171-K174 PolarHBondContact O-N 3.12Å
172	V	41.7	Very low	45.2	Very low	89 Å²	89	138.2 Å²	138.2	54%	0.539	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-61.6	-12.2	-167.5	177.9	0	0	0	0	114.7	E170 K174 R175	E170-V172 PolarHBondContact O-N 3.46Å; V172-K174 PolarHBondContact O-N 2.93Å; V172-R175 HydrophobicContact CG1-CB 4.36Å; V172-R175 PolarHBondContact O-N 2.97Å
173	Y	37.8	Very low	42.7	Very low	192 Å²	192	139.5 Å²	139.5	75%	0.753	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-58.8	-18.8	177.6	99.1	-95.4	0	0	0	113.2	P171	P171-Y173 PolarHBondContact O-N 2.89Å
174	K	33.5	Very low	40.8	Very low	122 Å²	122	138.8 Å²	138.8	53%	0.53	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-81.6	-20.1	171.1	-74.6	-174.2	-175.3	171.5	0	115.1	E170 P171 V172 R176	E170-K174 IonicContact OE1-NZ 3.07Å; E170-K174 PolarHBondContact OE1-NZ 3.01Å; E170-K174 IonicContact OE2-NZ 3.59Å; P171-K174 PolarHBondContact O-N 3.12Å; V172-K174 PolarHBondContact O-N 2.93Å; K174-R176 PolarHBondContact O-N 2.99Å
175	R	34.6	Very low	39.5	Very low	196 Å²	196	139 Å²	139	74%	0.74	69%	0.686	S	S	*	*	S	Bend	trans	-83.9	68.3	173.7	-75.1	-174	-172.1	163	5.8	109.9	V172 K177	V172-R175 HydrophobicContact CG1-CB 4.36Å; V172-R175 PolarHBondContact O-N 2.97Å; R175-K177 PolarHBondContact O-N 3.36Å
176	R	32.1	Very low	39.9	Very low	220 Å²	220	138.7 Å²	138.7	83%	0.83	69%	0.688	S	S	*	*			trans	-71.7	123.6	172.8	-116.9	176.4	-179.6	178.8	1.1	110	K174 E178	K174-R176 PolarHBondContact O-N 2.99Å; R176-E178 PolarHBondContact O-N 2.9Å
177	K	32.2	Very low	41.3	Very low	194 Å²	194	132.5 Å²	132.5	84%	0.843	66%	0.657	S	S	*	*	S	Bend	trans	77.4	-3.1	143.7	-94.1	-175.7	176.7	-176	0	123.2	R175	R175-K177 PolarHBondContact O-N 3.36Å
178	E	34.5	Very low	43.3	Very low	177 Å²	177	126 Å²	126	83%	0.827	62%	0.617	S	S	*	*	S	Bend	trans	-107.3	-6.4	-173.9	-73.3	-174	171.9	0	0	118.1	R176	R176-E178 PolarHBondContact O-N 2.9Å
179	N	30.2	Very low	45.5	Very low	122 Å²	122	118.3 Å²	118.3	65%	0.652	58%	0.575	S	S	*	*			trans	-148.6	92.4	171.3	-80.8	-46.6	0	0	0	111.1	D181	N179-D181 PolarHBondContact O-N 2.73Å
180	L	29.4	Very low	48	Very low	175 Å²	175	111.9 Å²	111.9	92%	0.916	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-2.3	174.5	-94.8	144	0	0	0	113.7
181	D	33.6	Very low	51.2	Low	149 Å²	149	105.5 Å²	105.5	80%	0.797	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	10.4	-174.7	-68	-26.3	0	0	0	114	N179	N179-D181 PolarHBondContact O-N 2.73Å
182	H	31.1	Very low	54	Low	143 Å²	143	101.2 Å²	101.2	66%	0.662	49%	0.488	S	S	*	.	S	Bend	trans	-117.6	117.3	-175.8	-75	-17.3	0	0	0	113.4
183	V	35.5	Very low	56.7	Low	120 Å²	120	97 Å²	97	73%	0.727	46%	0.462	S	S	*	.			trans	75.4	81.1	166.5	-158.3	0	0	0	0	114.5	E185	V183-E185 HydrophobicContact CG1-CG 3.92Å; V183-E185 PolarHBondContact O-N 2.79Å
184	S	43.8	Very low	59.4	Low	63 Å²	63	87.9 Å²	87.9	44%	0.441	43%	0.426	S	S	.	.			trans	-69.2	95.2	150.7	179.6	0	0	0	0	106.7	S186	S184-S186 PolarHBondContact O-N 3.02Å
185	E	51.8	Low	62.3	Low	62 Å²	62	82 Å²	82	29%	0.29	40%	0.401	S	S	.	.			trans	-51.3	137.2	170.6	-69.6	177.7	169.9	0	0	109.1	F162 V183 S187	F162-E185 HydrophobicContact CD1-CB 4.24Å; F162-E185 WeakPolarHBondContact CD1-OE2 3.35Å; V183-E185 HydrophobicContact CG1-CG 3.92Å; V183-E185 PolarHBondContact O-N 2.79Å; E185-S187 PolarHBondContact O-N 3.01Å
186	S	72.7	Confident	65.1	Low	79 Å²	79	74.1 Å²	74.1	55%	0.552	37%	0.372	S	S	*	.			trans	-59.7	104.6	172	-56.9	0	0	0	0	107.8	S184 Y264	S184-S186 PolarHBondContact O-N 3.02Å; S186-Y264 WeakPolarHBondContact CB-OH 3.48Å; S186-Y264 PolarHBondContact O-OH 3.23Å
187	S	86	Confident	67.7	Low	18 Å²	18	66.9 Å²	66.9	13%	0.126	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	151.7	177.3	57.7	0	0	0	0	110.1	Q160 I161 E185	Q160-S187 PolarHBondContact NE2-OG 2.82Å; I161-S187 CarbonylContact O-C 3.33Å; I161-S187 VanDerWaalsContact O-CA 3.25Å; I161-S187 WeakPolarHBondContact O-CA 3.48Å; E185-S187 PolarHBondContact O-N 3.01Å
188	V	92	Very high	70.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.6	178.5	178.9	0	0	0	0	108.2	T88 R89 Q160 I161 D258 P260 Y264 F268	T88-V188 CarbonylContact O-C 3.56Å; T88-V188 WeakPolarHBondContact O-CA 3.3Å; R89-V188 HydrophobicContact CG-CB 4.33Å; R89-V188 HydrophobicContact CG-CG1 4.23Å; R89-V188 HydrophobicContact CG-CG2 3.94Å; Q160-V188 CarbonylContact C-O 3.53Å; Q160-V188 WeakPolarHBondContact CA-O 3.31Å; I161-V188 HydrophobicContact CB-CB 4.4Å; I161-V188 PolarHBondContact N-O 2.84Å; I161-V188 PolarHBondContact O-N 2.86Å; V188-D258 HydrophobicContact CG1-CB 3.97Å; V188-D258 WeakPolarHBondContact CG1-O 3.45Å; V188-P260 HydrophobicContact CG2-CG 4.15Å; V188-Y264 HydrophobicContact CG2-CD1 3.92Å; V188-Y264 HydrophobicContact CG2-CE1 3.63Å; V188-F268 HydrophobicContact CG1-CZ 4.21Å
189	F	92.7	Very high	72.7	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.022	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.9	172.4	-62.3	-88	0	0	0	110.7	T88 P118 F159 Q160 Y191	T88-F189 PolarHBondContact O-N 2.74Å; P118-F189 HydrophobicContact CB-CE2 3.97Å; P118-F189 HydrophobicContact CB-CZ 4.34Å; P118-F189 HydrophobicContact CG-CE2 3.99Å; F159-F189 WeakPolarHBondContact O-CA 3.32Å; Q160-F189 HydrophobicContact CB-CD1 4.11Å; Q160-F189 HydrophobicContact CB-CE1 3.84Å; Q160-F189 HydrophobicContact CG-CD1 4.22Å; Q160-F189 HydrophobicContact CG-CE1 3.67Å; Q160-F189 HydrophobicContact CG-CZ 3.92Å; F189-Y191 HydrophobicContact CB-CE1 4.24Å; F189-Y191 HydrophobicContact CB-CE2 4.1Å
190	M	95.4	Very high	75.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.3	161.1	-62.2	-166.3	-75	0	0	109.6	S158 F159 I161 L255 F256 I257 F268 F274	S158-M190 CarbonylContact C-O 3.43Å; S158-M190 VanDerWaalsContact CA-O 3.29Å; S158-M190 WeakPolarHBondContact CA-O 3.25Å; F159-M190 HydrophobicContact CB-CB 4.34Å; F159-M190 HydrophobicContact CB-CE 4.16Å; F159-M190 PolarHBondContact N-O 3.27Å; F159-M190 PolarHBondContact O-N 3.26Å; I161-M190 HydrophobicContact CD1-CE 3.68Å; I161-M190 HydrophobicContact CG1-CE 3.96Å; I161-M190 HydrophobicContact CG1-CG 4.28Å; M190-L255 HydrophobicContact CB-CD1 4.49Å; M190-F256 VanDerWaalsContact CA-O 3.27Å; M190-F256 WeakPolarHBondContact CA-O 3.33Å; M190-I257 HydrophobicContact CG-CG1 4.45Å; M190-I257 HydrophobicContact CG-CG2 4.44Å; M190-I257 HydrophobicContact SD-CD1 4.27Å; M190-I257 HydrophobicContact SD-CG1 3.94Å; M190-I257 HydrophobicContact SD-CG2 4.16Å; M190-F268 HydrophobicContact CE-CD1 4.03Å; M190-F268 HydrophobicContact CE-CE1 4.32Å; M190-F268 HydrophobicContact CG-CD1 4.34Å; M190-F268 HydrophobicContact CG-CE1 3.73Å; M190-F268 HydrophobicContact SD-CD1 3.62Å; M190-F268 HydrophobicContact SD-CE1 3.61Å; M190-F274 HydrophobicContact CE-CB 4.02Å; M190-F274 HydrophobicContact CE-CD1 3.82Å; M190-F274 HydrophobicContact CE-CD2 4.05Å; M190-F274 HydrophobicContact CE-CE1 4.36Å; M190-F274 HydrophobicContact CE-CG 3.65Å
191	Y	97.2	Very high	78.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.4	176.5	-62	-66.8	0	0	0	111.3	F86 L87 T88 H116 G117 I144 Q157 F189 F193 L255 F256	F86-Y191 HydrophobicContact CB-CD2 3.96Å; F86-Y191 HydrophobicContact CB-CE2 3.81Å; F86-Y191 AromaticContact CD1-CD1 3.86Å; F86-Y191 HydrophobicContact CD1-CD1 3.86Å; F86-Y191 HydrophobicContact CD1-CD2 4.35Å; F86-Y191 AromaticContact CD1-CE1 3.93Å; F86-Y191 HydrophobicContact CD1-CE1 3.93Å; F86-Y191 HydrophobicContact CD1-CE2 4.42Å; F86-Y191 HydrophobicContact CD1-CG 4.08Å; L87-Y191 WeakPolarHBondContact O-CE2 3.45Å; L87-Y191 PolarHBondContact O-OH 2.94Å; T88-Y191 HydrophobicContact CG2-CD2 4.19Å; T88-Y191 HydrophobicContact CG2-CE2 4.12Å; H116-Y191 PolarHBondContact O-OH 3.1Å; G117-Y191 WeakPolarHBondContact CA-OH 3.5Å; I144-Y191 HydrophobicContact CD1-CD1 4.3Å; I144-Y191 HydrophobicContact CD1-CE1 4.31Å; I144-Y191 HydrophobicContact CG2-CE1 4.45Å; Q157-Y191 WeakPolarHBondContact O-CA 3.49Å; F189-Y191 HydrophobicContact CB-CE1 4.24Å; F189-Y191 HydrophobicContact CB-CE2 4.1Å; Y191-F193 HydrophobicContact CG-CE2 4.39Å; Y191-L255 WeakPolarHBondContact O-CA 3.4Å; Y191-F256 PolarHBondContact N-O 2.89Å; Y191-F256 VanDerWaalsContact N-O 3.1Å; Y191-F256 PolarHBondContact O-N 3.14Å
192	Y	96.8	Very high	80.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	107.5	176.4	178.2	-136.5	0	0	0	109.6	V156 Q157 Q194 N253 I278 G290 V291	V156-Y192 WeakPolarHBondContact CA-O 3.48Å; Q157-Y192 PolarHBondContact N-O 2.78Å; Q157-Y192 PolarHBondContact O-N 2.84Å; Y192-Q194 HydrophobicContact CD1-CG 4.06Å; Y192-Q194 HydrophobicContact CD2-CG 4.43Å; Y192-Q194 HydrophobicContact CE1-CG 3.58Å; Y192-Q194 HydrophobicContact CE2-CG 3.98Å; Y192-Q194 HydrophobicContact CG-CG 4.46Å; Y192-Q194 PolarHBondContact OH-NE2 2.8Å; Y192-N253 HydrophobicContact CD2-CB 4.41Å; Y192-N253 HydrophobicContact CE2-CB 3.5Å; Y192-N253 VanDerWaalsContact CE2-CB 3.5Å; Y192-N253 PolarHBondContact OH-ND2 3.12Å; Y192-I278 HydrophobicContact CD1-CG2 4.2Å; Y192-I278 HydrophobicContact CD2-CG2 4.32Å; Y192-I278 HydrophobicContact CE1-CG2 3.99Å; Y192-I278 HydrophobicContact CE2-CG2 4.11Å; Y192-I278 HydrophobicContact CG-CG2 4.37Å; Y192-G290 PolarHBondContact OH-O 2.93Å; Y192-V291 HydrophobicContact CD2-CG2 4.49Å; Y192-V291 HydrophobicContact CE2-CG2 3.95Å
193	F	97.6	Very high	83.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.9	-179.2	-75.9	-107.9	0	0	0	110	I53 F86 F154 V156 Y191 N253 M254 F256	I53-F193 HydrophobicContact CD1-CD1 4.02Å; I53-F193 HydrophobicContact CD1-CE1 3.85Å; I53-F193 HydrophobicContact CD1-CE2 4.48Å; I53-F193 HydrophobicContact CD1-CG 4.44Å; I53-F193 HydrophobicContact CD1-CZ 4.09Å; F86-F193 HydrophobicContact CD1-CE2 4.37Å; F86-F193 AromaticContact CD1-CZ 3.83Å; F86-F193 HydrophobicContact CD1-CZ 3.83Å; F86-F193 HydrophobicContact CD2-CE1 4.35Å; F86-F193 AromaticContact CD2-CZ 3.7Å; F86-F193 HydrophobicContact CD2-CZ 3.7Å; F86-F193 HydrophobicContact CE1-CE1 4.33Å; F86-F193 AromaticContact CE1-CZ 3.79Å; F86-F193 HydrophobicContact CE1-CZ 3.79Å; F86-F193 AromaticContact CE2-CE1 3.88Å; F86-F193 HydrophobicContact CE2-CE1 3.88Å; F86-F193 AromaticContact CE2-CZ 3.65Å; F86-F193 HydrophobicContact CE2-CZ 3.65Å; F86-F193 HydrophobicContact CG-CE2 4.49Å; F86-F193 AromaticContact CG-CZ 3.79Å; F86-F193 HydrophobicContact CG-CZ 3.79Å; F86-F193 AromaticContact CZ-CE1 3.88Å; F86-F193 HydrophobicContact CZ-CE1 3.88Å; F86-F193 AromaticContact CZ-CZ 3.7Å; F86-F193 HydrophobicContact CZ-CZ 3.7Å; F154-F193 HydrophobicContact CB-CD1 4.38Å; F154-F193 HydrophobicContact CD1-CB 4.31Å; F154-F193 HydrophobicContact CD1-CD1 4.16Å; F154-F193 HydrophobicContact CD2-CD1 4.43Å; F154-F193 HydrophobicContact CG-CD1 4.09Å; V156-F193 HydrophobicContact CB-CD1 4.48Å; V156-F193 HydrophobicContact CG1-CD1 4.18Å; V156-F193 HydrophobicContact CG1-CD2 3.88Å; V156-F193 HydrophobicContact CG1-CE1 4.11Å; V156-F193 HydrophobicContact CG1-CE2 3.83Å; V156-F193 HydrophobicContact CG1-CG 4.06Å; V156-F193 HydrophobicContact CG1-CZ 3.93Å; V156-F193 HydrophobicContact CG2-CD1 3.47Å; V156-F193 VanDerWaalsContact CG2-CD1 3.47Å; V156-F193 HydrophobicContact CG2-CE1 3.6Å; V156-F193 HydrophobicContact CG2-CG 4.02Å; V156-F193 HydrophobicContact CG2-CZ 4.26Å; Y191-F193 HydrophobicContact CG-CE2 4.39Å; F193-N253 WeakPolarHBondContact O-CA 3.27Å; F193-M254 HydrophobicContact CB-CB 4.28Å; F193-M254 HydrophobicContact CB-CE 3.51Å; F193-M254 HydrophobicContact CD1-CE 4.32Å; F193-M254 HydrophobicContact CG-CE 4.09Å; F193-M254 PolarHBondContact N-O 3.03Å; F193-M254 PolarHBondContact O-N 3.26Å; F193-F256 AromaticContact CD2-CD2 3.7Å; F193-F256 HydrophobicContact CD2-CD2 3.7Å; F193-F256 AromaticContact CD2-CE2 3.71Å; F193-F256 HydrophobicContact CD2-CE2 3.71Å; F193-F256 AromaticContact CE2-CD2 3.76Å; F193-F256 HydrophobicContact CE2-CD2 3.76Å; F193-F256 AromaticContact CE2-CE2 3.84Å; F193-F256 HydrophobicContact CE2-CE2 3.84Å; F193-F256 HydrophobicContact CG-CE2 4.42Å
194	Q	95.3	Very high	86.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	102.2	176.9	-63.1	174.2	-82.4	0	0	109	F154 R155 Y192 N253 E282 L287 T288	F154-Q194 WeakPolarHBondContact CA-O 3.14Å; R155-Q194 HydrophobicContact CB-CB 4.46Å; R155-Q194 PolarHBondContact N-O 3.47Å; R155-Q194 VanDerWaalsContact NH2-CD 3.28Å; R155-Q194 VanDerWaalsContact NH2-NE2 3.16Å; R155-Q194 PolarHBondContact O-N 3.48Å; Y192-Q194 HydrophobicContact CD1-CG 4.06Å; Y192-Q194 HydrophobicContact CD2-CG 4.43Å; Y192-Q194 HydrophobicContact CE1-CG 3.58Å; Y192-Q194 HydrophobicContact CE2-CG 3.98Å; Y192-Q194 HydrophobicContact CG-CG 4.46Å; Y192-Q194 PolarHBondContact OH-NE2 2.8Å; Q194-N253 WeakPolarHBondContact CA-OD1 3.36Å; Q194-N253 HydrophobicContact CG-CB 4.3Å; Q194-E282 PolarHBondContact NE2-OE1 2.95Å; Q194-L287 HydrophobicContact CB-CD2 4.07Å; Q194-T288 PolarHBondContact NE2-O 2.97Å
195	P	95	Very high	88.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.4	179.3	9.9	-3.3	0	0	0	111.2	I35 A153 F154 R197 S251 K252 L405 R406	I35-P195 HydrophobicContact CD1-CB 3.49Å; I35-P195 VanDerWaalsContact CD1-CB 3.49Å; I35-P195 HydrophobicContact CD1-CG 4.05Å; A153-P195 CarbonylContact O-C 3.56Å; A153-P195 VanDerWaalsContact O-CA 3.23Å; A153-P195 WeakPolarHBondContact O-CA 3.21Å; F154-P195 HydrophobicContact CD1-CB 3.62Å; F154-P195 HydrophobicContact CD1-CG 4.07Å; F154-P195 HydrophobicContact CE1-CB 3.53Å; F154-P195 HydrophobicContact CE1-CG 3.83Å; P195-R197 PolarHBondContact O-N 2.77Å; P195-S251 WeakPolarHBondContact O-CB 3.44Å; P195-S251 PolarHBondContact O-OG 2.74Å; P195-K252 WeakPolarHBondContact CD-O 3.35Å; P195-K252 VanDerWaalsContact CG-O 3.23Å; P195-K252 WeakPolarHBondContact CG-O 3.46Å; P195-L405 HydrophobicContact CG-CD2 3.77Å; P195-R406 PolarHBondContact O-NH2 3.47Å
196	F	92.1	Very high	90.2	Very high	29 Å²	29	39.9 Å²	39.9	13%	0.127	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-60.1	137.3	175.2	-70.1	-71.8	0	0	0	111	P31 T150 D151 A153 R155 N286 L287 R406	P31-F196 HydrophobicContact CB-CB 3.9Å; P31-F196 WeakPolarHBondContact CB-O 3.39Å; P31-F196 HydrophobicContact CG-CB 3.64Å; T150-F196 HydrophobicContact CG2-CE2 3.72Å; T150-F196 HydrophobicContact CG2-CZ 3.53Å; D151-F196 WeakPolarHBondContact O-CE2 3.42Å; A153-F196 PolarHBondContact O-N 2.88Å; R155-F196 HydrophobicContact CB-CZ 4.24Å; F196-N286 HydrophobicContact CD1-CB 4.12Å; F196-L287 HydrophobicContact CD1-CD2 3.56Å; F196-L287 HydrophobicContact CD1-CG 3.99Å; F196-L287 HydrophobicContact CE1-CD1 4.03Å; F196-L287 HydrophobicContact CE1-CD2 3.6Å; F196-L287 HydrophobicContact CE1-CG 3.83Å; F196-L287 HydrophobicContact CG-CD2 4.3Å; F196-L287 HydrophobicContact CZ-CD2 4.34Å; F196-R406 VanDerWaalsContact O-CZ 3.28Å; F196-R406 PolarHBondContact O-NH1 2.9Å; F196-R406 PolarHBondContact O-NH2 3.42Å
197	R	88	Confident	91	Very high	68 Å²	68	36.1 Å²	36.1	26%	0.257	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-55.2	138.8	175.4	179.8	174.8	-111.2	173.2	-5.1	110.3	P31 P195 S248 P249 E285 N286	P31-R197 WeakPolarHBondContact CG-O 3.5Å; P195-R197 PolarHBondContact O-N 2.77Å; R197-S248 WeakPolarHBondContact CD-OG 3.29Å; R197-S248 WeakPolarHBondContact CG-OG 3.45Å; R197-S248 PolarHBondContact NE-O 2.87Å; R197-S248 VanDerWaalsContact NE-O 3.16Å; R197-S248 PolarHBondContact NH2-O 2.63Å; R197-P249 PolarHBondContact NE-O 3.21Å; R197-E285 PolarHBondContact NH1-O 3.01Å; R197-N286 VanDerWaalsContact CB-O 3.27Å; R197-N286 WeakPolarHBondContact CB-O 3.42Å; R197-N286 PolarHBondContact N-O 3.06Å
198	T	86.7	Confident	91.1	Very high	27 Å²	27	40 Å²	40	17%	0.166	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-69.1	164.5	178	56.6	0	0	0	0	110.6	S248	T198-S248 WeakPolarHBondContact O-CB 3.48Å; T198-S248 PolarHBondContact O-OG 3.15Å; T198-S248 WeakPolarHBondContact OG1-CB 3.31Å
199	R	84.9	Confident	90.9	Very high	76 Å²	76	46.9 Å²	46.9	29%	0.287	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-64.4	160.1	174.4	-62.1	-171.3	-175.9	172.8	3.7	111.8	I226 N227	R199-I226 HydrophobicContact CB-CG2 3.66Å; R199-I226 HydrophobicContact CG-CG2 4.31Å; R199-N227 WeakPolarHBondContact CD-OD1 3.47Å; R199-N227 PolarHBondContact NE-OD1 3.29Å
200	R	87.6	Confident	90.6	Very high	46 Å²	46	47.7 Å²	47.7	17%	0.174	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-65.5	142	177.8	-55.9	-178.3	60.1	104.8	6.9	110	I226 D242 T245 A246	R200-I226 WeakPolarHBondContact CB-O 3.44Å; R200-I226 PolarHBondContact N-O 3.32Å; R200-I226 VanDerWaalsContact N-O 3.11Å; R200-D242 IonicContact CZ-OD1 3.37Å; R200-D242 IonicContact NH1-OD1 3.77Å; R200-D242 PolarHBondContact NH1-OD1 2.89Å; R200-D242 IonicContact NH2-OD1 2.64Å; R200-D242 PolarHBondContact NH2-OD1 2.86Å; R200-T245 HydrophobicContact CB-CG2 4.32Å; R200-T245 PolarHBondContact NE-OG1 3.46Å; R200-T245 PolarHBondContact NH2-O 3.36Å; R200-T245 PolarHBondContact NH2-OG1 3.36Å; R200-A246 WeakPolarHBondContact CA-O 3.47Å; R200-A246 WeakPolarHBondContact CB-O 3.32Å
201	K	86.5	Confident	90.3	Very high	161 Å²	161	52 Å²	52	70%	0.7	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.2	-178.6	-174.7	178.8	178.3	-178	0	109.3	I203 T245 A246	K201-I203 PolarHBondContact O-N 3.34Å; K201-T245 CarbonylContact O-C 3.19Å; K201-T245 WeakPolarHBondContact O-CA 3.44Å; K201-T245 WeakPolarHBondContact O-CB 3.37Å; K201-A246 PolarHBondContact N-O 3.45Å; K201-A246 PolarHBondContact O-N 3.3Å
202	L	88.2	Confident	89.8	Confident	39 Å²	39	52.5 Å²	52.5	20%	0.204	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	128.5	174.1	-174.3	69.3	0	0	0	110.6	M204 F207 L217 I222 V244 T245	L202-M204 HydrophobicContact CD2-CE 3.96Å; L202-F207 HydrophobicContact CD1-CB 4.37Å; L202-F207 HydrophobicContact CD1-CD2 4.03Å; L202-L217 HydrophobicContact CD2-CD2 3.65Å; L202-I222 HydrophobicContact CD1-CD1 3.94Å; L202-I222 HydrophobicContact CD2-CD1 4.14Å; L202-I222 HydrophobicContact CD2-CG1 4.1Å; L202-V244 HydrophobicContact CD1-CB 4.29Å; L202-V244 HydrophobicContact CD1-CG2 4.39Å; L202-V244 WeakPolarHBondContact CD1-O 3.46Å; L202-T245 HydrophobicContact CD1-CG2 4.05Å
203	I	90.2	Very high	89.3	Confident	46 Å²	46	54.8 Å²	54.8	24%	0.236	28%	0.277	C	S	.	.			trans	-98.6	102.9	175.5	-57.1	168.2	0	0	0	107.3	K201 S205 K206 F207 V244 A246	K201-I203 PolarHBondContact O-N 3.34Å; I203-S205 VanDerWaalsContact C-N 3.27Å; I203-S205 WeakPolarHBondContact CG2-OG 3.1Å; I203-S205 PolarHBondContact O-N 3.42Å; I203-K206 HydrophobicContact CB-CB 4.26Å; I203-K206 HydrophobicContact CB-CD 4.49Å; I203-K206 HydrophobicContact CB-CG 4.29Å; I203-K206 HydrophobicContact CD1-CD 4Å; I203-K206 HydrophobicContact CG2-CB 4.17Å; I203-K206 HydrophobicContact CG2-CD 4.41Å; I203-K206 HydrophobicContact CG2-CG 3.87Å; I203-K206 PolarHBondContact O-N 3.09Å; I203-F207 PolarHBondContact O-N 2.9Å; I203-V244 PolarHBondContact N-O 3.29Å; I203-A246 HydrophobicContact CD1-CB 4.01Å; I203-A246 HydrophobicContact CG1-CB 4.27Å
204	M	89.3	Confident	88.6	Confident	93 Å²	93	57.9 Å²	57.9	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-31.1	-172.1	-164.5	59.9	67.4	0	0	113.3	L202 F207 N208 L217	L202-M204 HydrophobicContact CD2-CE 3.96Å; M204-F207 HydrophobicContact SD-CB 4.44Å; M204-F207 HydrophobicContact SD-CD1 4.15Å; M204-F207 HydrophobicContact SD-CG 4.48Å; M204-N208 VanDerWaalsContact O-CG 3.3Å; M204-N208 PolarHBondContact O-N 2.97Å; M204-N208 VanDerWaalsContact O-N 3.15Å; M204-N208 PolarHBondContact O-ND2 3.11Å; M204-L217 HydrophobicContact CE-CD1 4.27Å; M204-L217 HydrophobicContact CE-CD2 4.23Å; M204-L217 HydrophobicContact SD-CD1 3.98Å; M204-L217 HydrophobicContact SD-CD2 4.45Å
205	S	90.2	Very high	88.1	Confident	66 Å²	66	61.8 Å²	61.8	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-52.3	174.7	52.4	0	0	0	0	111.5	I203 F207 N208 E209	I203-S205 VanDerWaalsContact C-N 3.27Å; I203-S205 WeakPolarHBondContact CG2-OG 3.1Å; I203-S205 PolarHBondContact O-N 3.42Å; S205-F207 VanDerWaalsContact C-N 3.33Å; S205-F207 PolarHBondContact O-N 3.1Å; S205-N208 PolarHBondContact O-N 2.77Å; S205-E209 WeakPolarHBondContact O-CG 3.39Å; S205-E209 PolarHBondContact O-N 2.89Å
206	K	90.4	Very high	87.7	Confident	84 Å²	84	62 Å²	62	37%	0.365	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-37.1	177.4	-66.2	-165.2	-177.4	-174.7	0	113	I203 N208 E209 A210 E243	I203-K206 HydrophobicContact CB-CB 4.26Å; I203-K206 HydrophobicContact CB-CD 4.49Å; I203-K206 HydrophobicContact CB-CG 4.29Å; I203-K206 HydrophobicContact CD1-CD 4Å; I203-K206 HydrophobicContact CG2-CB 4.17Å; I203-K206 HydrophobicContact CG2-CD 4.41Å; I203-K206 HydrophobicContact CG2-CG 3.87Å; I203-K206 PolarHBondContact O-N 3.09Å; K206-N208 VanDerWaalsContact C-N 3.3Å; K206-N208 PolarHBondContact O-N 3.1Å; K206-E209 PolarHBondContact O-N 2.93Å; K206-A210 WeakPolarHBondContact O-CB 3.46Å; K206-A210 PolarHBondContact O-N 2.88Å; K206-E243 VanDerWaalsContact CB-O 3.3Å; K206-E243 WeakPolarHBondContact CB-O 3.44Å; K206-E243 WeakPolarHBondContact CD-O 3.2Å
207	F	88.2	Confident	87.2	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-42.9	174.8	-179.5	-87.3	0	0	0	112.2	L202 I203 M204 S205 I212 V216 L217 I222	L202-F207 HydrophobicContact CD1-CB 4.37Å; L202-F207 HydrophobicContact CD1-CD2 4.03Å; I203-F207 PolarHBondContact O-N 2.9Å; M204-F207 HydrophobicContact SD-CB 4.44Å; M204-F207 HydrophobicContact SD-CD1 4.15Å; M204-F207 HydrophobicContact SD-CG 4.48Å; S205-F207 VanDerWaalsContact C-N 3.33Å; S205-F207 PolarHBondContact O-N 3.1Å; F207-I212 HydrophobicContact CD1-CB 4.47Å; F207-I212 HydrophobicContact CD2-CB 4.15Å; F207-I212 HydrophobicContact CD2-CD1 3.69Å; F207-I212 HydrophobicContact CD2-CG1 4.46Å; F207-I212 HydrophobicContact CD2-CG2 4.38Å; F207-I212 HydrophobicContact CE1-CB 3.94Å; F207-I212 HydrophobicContact CE1-CG2 4.23Å; F207-I212 HydrophobicContact CE2-CB 3.59Å; F207-I212 HydrophobicContact CE2-CD1 3.72Å; F207-I212 HydrophobicContact CE2-CG1 4.25Å; F207-I212 HydrophobicContact CE2-CG2 3.41Å; F207-I212 VanDerWaalsContact CE2-CG2 3.41Å; F207-I212 HydrophobicContact CG-CD1 4.44Å; F207-I212 HydrophobicContact CZ-CB 3.47Å; F207-I212 VanDerWaalsContact CZ-CB 3.47Å; F207-I212 HydrophobicContact CZ-CD1 4.48Å; F207-I212 HydrophobicContact CZ-CG2 3.31Å; F207-V216 HydrophobicContact CZ-CB 4.45Å; F207-L217 HydrophobicContact CD1-CD1 4.04Å; F207-L217 HydrophobicContact CD1-CD2 4.14Å; F207-L217 HydrophobicContact CD1-CG 4.2Å; F207-L217 HydrophobicContact CD2-CD2 4.15Å; F207-L217 HydrophobicContact CE1-CD1 3.53Å; F207-L217 HydrophobicContact CE1-CD2 3.79Å; F207-L217 HydrophobicContact CE1-CG 3.45Å; F207-L217 VanDerWaalsContact CE1-CG 3.45Å; F207-L217 HydrophobicContact CE2-CD2 3.79Å; F207-L217 HydrophobicContact CE2-CG 4.13Å; F207-L217 HydrophobicContact CG-CD2 4.32Å; F207-L217 HydrophobicContact CZ-CD1 4.06Å; F207-L217 HydrophobicContact CZ-CD2 3.59Å; F207-L217 HydrophobicContact CZ-CG 3.41Å; F207-L217 VanDerWaalsContact CZ-CG 3.41Å; F207-I222 HydrophobicContact CD2-CD1 3.88Å; F207-I222 HydrophobicContact CE2-CD1 3.49Å; F207-I222 VanDerWaalsContact CE2-CD1 3.49Å; F207-I222 HydrophobicContact CZ-CD1 4.49Å
208	N	88	Confident	86.7	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	37%	0.367	S	S	.	.	H	α-helix	trans	-72.3	-39.7	177.4	-67.5	-27.8	0	0	0	111.9	M204 S205 K206 A210 C211	M204-N208 VanDerWaalsContact O-CG 3.3Å; M204-N208 PolarHBondContact O-N 2.97Å; M204-N208 VanDerWaalsContact O-N 3.15Å; M204-N208 PolarHBondContact O-ND2 3.11Å; S205-N208 PolarHBondContact O-N 2.77Å; K206-N208 VanDerWaalsContact C-N 3.3Å; K206-N208 PolarHBondContact O-N 3.1Å; N208-A210 VanDerWaalsContact C-N 3.31Å; N208-A210 PolarHBondContact O-N 2.91Å; N208-C211 WeakPolarHBondContact O-CA 3.27Å; N208-C211 PolarHBondContact O-N 3.32Å
209	E	88.9	Confident	86.2	Confident	143 Å²	143	69.6 Å²	69.6	67%	0.668	37%	0.37	S	S	*	.	H	α-helix	trans	-60.5	-39.8	175.2	-73.1	165.6	-163	0	0	112	S205 K206 C211	S205-E209 WeakPolarHBondContact O-CG 3.39Å; S205-E209 PolarHBondContact O-N 2.89Å; K206-E209 PolarHBondContact O-N 2.93Å; E209-C211 PolarHBondContact O-N 3.48Å
210	A	87	Confident	85.9	Confident	22 Å²	22	69 Å²	69	18%	0.182	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	1.2	174	0	0	0	0	0	113.6	K206 N208 I212 R237 V244	K206-A210 WeakPolarHBondContact O-CB 3.46Å; K206-A210 PolarHBondContact O-N 2.88Å; N208-A210 VanDerWaalsContact C-N 3.31Å; N208-A210 PolarHBondContact O-N 2.91Å; A210-I212 HydrophobicContact CB-CD1 3.92Å; A210-I212 HydrophobicContact CB-CG1 3.83Å; A210-I212 PolarHBondContact O-N 3.48Å; A210-R237 PolarHBondContact O-NH1 3.25Å; A210-V244 HydrophobicContact CB-CG1 4.05Å
211	C	87.1	Confident	85.7	Confident	91 Å²	91	71.2 Å²	71.2	62%	0.615	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.3	179	-63.1	0	0	0	0	112.2	N208 E209 R237	N208-C211 WeakPolarHBondContact O-CA 3.27Å; N208-C211 PolarHBondContact O-N 3.32Å; E209-C211 PolarHBondContact O-N 3.48Å; C211-R237 PolarHBondContact O-NH2 2.93Å
212	I	86.9	Confident	85.6	Confident	10 Å²	10	64.1 Å²	64.1	5%	0.051	37%	0.369	C	S	.	.			trans	-80.6	128.8	179.3	-57.8	173.8	0	0	0	108.3	F207 A210 A214 V216 L231 L233 I239 V244	F207-I212 HydrophobicContact CD1-CB 4.47Å; F207-I212 HydrophobicContact CD2-CB 4.15Å; F207-I212 HydrophobicContact CD2-CD1 3.69Å; F207-I212 HydrophobicContact CD2-CG1 4.46Å; F207-I212 HydrophobicContact CD2-CG2 4.38Å; F207-I212 HydrophobicContact CE1-CB 3.94Å; F207-I212 HydrophobicContact CE1-CG2 4.23Å; F207-I212 HydrophobicContact CE2-CB 3.59Å; F207-I212 HydrophobicContact CE2-CD1 3.72Å; F207-I212 HydrophobicContact CE2-CG1 4.25Å; F207-I212 HydrophobicContact CE2-CG2 3.41Å; F207-I212 VanDerWaalsContact CE2-CG2 3.41Å; F207-I212 HydrophobicContact CG-CD1 4.44Å; F207-I212 HydrophobicContact CZ-CB 3.47Å; F207-I212 VanDerWaalsContact CZ-CB 3.47Å; F207-I212 HydrophobicContact CZ-CD1 4.48Å; F207-I212 HydrophobicContact CZ-CG2 3.31Å; A210-I212 HydrophobicContact CB-CD1 3.92Å; A210-I212 HydrophobicContact CB-CG1 3.83Å; A210-I212 PolarHBondContact O-N 3.48Å; I212-A214 PolarHBondContact O-N 3.29Å; I212-V216 HydrophobicContact CG2-CB 3.83Å; I212-V216 HydrophobicContact CG2-CG1 4.03Å; I212-V216 HydrophobicContact CG2-CG2 3.82Å; I212-L231 HydrophobicContact CG2-CD2 4.43Å; I212-L233 HydrophobicContact CG1-CD1 4.35Å; I212-L233 HydrophobicContact CG2-CD1 4.42Å; I212-L233 HydrophobicContact CG2-CD2 3.92Å; I212-I239 HydrophobicContact CD1-CB 4.45Å; I212-I239 HydrophobicContact CD1-CG1 3.99Å; I212-I239 HydrophobicContact CD1-CG2 3.94Å; I212-I239 HydrophobicContact CG1-CG1 4.25Å; I212-V244 HydrophobicContact CD1-CG1 3.72Å
213	P	86.4	Confident	85.3	Confident	49 Å²	49	66 Å²	66	32%	0.318	38%	0.376	S	S	.	.			trans	-55.3	134.1	-179.3	-26.7	34.5	0	0	0	112.1	S215 V216	P213-S215 WeakPolarHBondContact CB-OG 3.03Å; P213-S215 PolarHBondContact O-N 2.97Å; P213-V216 HydrophobicContact CB-CG2 4.3Å; P213-V216 VanDerWaalsContact O-CB 3.26Å; P213-V216 WeakPolarHBondContact O-CB 3.42Å; P213-V216 WeakPolarHBondContact O-CG2 3.39Å; P213-V216 PolarHBondContact O-N 3.08Å
214	A	84.3	Confident	85	Confident	65 Å²	65	65.6 Å²	65.6	54%	0.537	38%	0.376	S	S	.	.	H	α-helix	trans	-60.4	-18.3	177.7	0	0	0	0	0	113.3	I212 V216 L217 K218	I212-A214 PolarHBondContact O-N 3.29Å; A214-V216 PolarHBondContact O-N 3.34Å; A214-L217 PolarHBondContact O-N 3.04Å; A214-K218 PolarHBondContact O-N 2.99Å
215	S	84.8	Confident	84.8	Confident	81 Å²	81	61.2 Å²	61.2	57%	0.566	35%	0.354	S	S	*	.	H	α-helix	trans	-60.5	-31.4	169.8	53.4	0	0	0	0	112.3	P213 K218 S219	P213-S215 WeakPolarHBondContact CB-OG 3.03Å; P213-S215 PolarHBondContact O-N 2.97Å; S215-K218 CarbonylContact O-C 3.5Å; S215-K218 PolarHBondContact O-N 2.82Å; S215-S219 WeakPolarHBondContact O-CB 3.37Å; S215-S219 PolarHBondContact O-N 2.93Å
216	V	85.5	Confident	84.6	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.036	34%	0.339	C	S	.	.	H	α-helix	trans	-65.6	-40.5	177.5	178.3	0	0	0	0	111	F207 I212 P213 A214 K218 S219 E221 I222 L231 L233	F207-V216 HydrophobicContact CZ-CB 4.45Å; I212-V216 HydrophobicContact CG2-CB 3.83Å; I212-V216 HydrophobicContact CG2-CG1 4.03Å; I212-V216 HydrophobicContact CG2-CG2 3.82Å; P213-V216 HydrophobicContact CB-CG2 4.3Å; P213-V216 VanDerWaalsContact O-CB 3.26Å; P213-V216 WeakPolarHBondContact O-CB 3.42Å; P213-V216 WeakPolarHBondContact O-CG2 3.39Å; P213-V216 PolarHBondContact O-N 3.08Å; A214-V216 PolarHBondContact O-N 3.34Å; V216-K218 PolarHBondContact O-N 3.44Å; V216-S219 VanDerWaalsContact CA-OG 3.3Å; V216-S219 WeakPolarHBondContact CA-OG 3.46Å; V216-S219 CarbonylContact O-C 2.96Å; V216-S219 WeakPolarHBondContact O-CB 3.34Å; V216-S219 PolarHBondContact O-N 3.46Å; V216-S219 PolarHBondContact O-OG 3Å; V216-E221 HydrophobicContact CG1-CB 4.26Å; V216-I222 HydrophobicContact CG1-CB 4.4Å; V216-L231 HydrophobicContact CG1-CD1 4.36Å; V216-L231 HydrophobicContact CG1-CD2 3.81Å; V216-L233 HydrophobicContact CG2-CD2 3.86Å
217	L	81.2	Confident	84.1	Confident	59 Å²	59	59.1 Å²	59.1	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-35.3	174.2	-68.7	173	0	0	0	112.3	L202 M204 F207 A214 I222	L202-L217 HydrophobicContact CD2-CD2 3.65Å; M204-L217 HydrophobicContact CE-CD1 4.27Å; M204-L217 HydrophobicContact CE-CD2 4.23Å; M204-L217 HydrophobicContact SD-CD1 3.98Å; M204-L217 HydrophobicContact SD-CD2 4.45Å; F207-L217 HydrophobicContact CD1-CD1 4.04Å; F207-L217 HydrophobicContact CD1-CD2 4.14Å; F207-L217 HydrophobicContact CD1-CG 4.2Å; F207-L217 HydrophobicContact CD2-CD2 4.15Å; F207-L217 HydrophobicContact CE1-CD1 3.53Å; F207-L217 HydrophobicContact CE1-CD2 3.79Å; F207-L217 HydrophobicContact CE1-CG 3.45Å; F207-L217 VanDerWaalsContact CE1-CG 3.45Å; F207-L217 HydrophobicContact CE2-CD2 3.79Å; F207-L217 HydrophobicContact CE2-CG 4.13Å; F207-L217 HydrophobicContact CG-CD2 4.32Å; F207-L217 HydrophobicContact CZ-CD1 4.06Å; F207-L217 HydrophobicContact CZ-CD2 3.59Å; F207-L217 HydrophobicContact CZ-CG 3.41Å; F207-L217 VanDerWaalsContact CZ-CG 3.41Å; A214-L217 PolarHBondContact O-N 3.04Å; L217-I222 HydrophobicContact CD2-CD1 4.11Å; L217-I222 HydrophobicContact CD2-CG1 4.1Å
218	K	77.7	Confident	83.8	Confident	193 Å²	193	61 Å²	61	84%	0.839	36%	0.361	S	S	*	.	H	α-helix	trans	-83	-17.8	177.3	-65.3	-179.9	-178.1	179.5	0	112.4	A214 S215 V216	A214-K218 PolarHBondContact O-N 2.99Å; S215-K218 CarbonylContact O-C 3.5Å; S215-K218 PolarHBondContact O-N 2.82Å; V216-K218 PolarHBondContact O-N 3.44Å
219	S	77	Confident	83.7	Confident	31 Å²	31	61.9 Å²	61.9	22%	0.217	36%	0.362	C	S	.	.	S	Bend	trans	-84.1	159.6	174.6	84	0	0	0	0	110.4	S215 V216 E221	S215-S219 WeakPolarHBondContact O-CB 3.37Å; S215-S219 PolarHBondContact O-N 2.93Å; V216-S219 VanDerWaalsContact CA-OG 3.3Å; V216-S219 WeakPolarHBondContact CA-OG 3.46Å; V216-S219 CarbonylContact O-C 2.96Å; V216-S219 WeakPolarHBondContact O-CB 3.34Å; V216-S219 PolarHBondContact O-N 3.46Å; V216-S219 PolarHBondContact O-OG 3Å; S219-E221 PolarHBondContact O-N 3.4Å; S219-E221 VanDerWaalsContact OG-CB 3.23Å; S219-E221 WeakPolarHBondContact OG-CB 3.26Å; S219-E221 WeakPolarHBondContact OG-CG 3.41Å; S219-E221 PolarHBondContact OG-N 2.85Å; S219-E221 VanDerWaalsContact OG-N 3.09Å
220	G	77.3	Confident	83.8	Confident	62 Å²	62	59.5 Å²	59.5	64%	0.639	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.1	170	0	0	0	0	0	113.9	I222 Q223	G220-I222 VanDerWaalsContact C-N 3.32Å; G220-I222 PolarHBondContact O-N 3.01Å; G220-Q223 VanDerWaalsContact O-CB 3.29Å; G220-Q223 WeakPolarHBondContact O-CB 3.28Å; G220-Q223 WeakPolarHBondContact O-CG 3.44Å; G220-Q223 PolarHBondContact O-N 2.93Å
221	E	84.6	Confident	83.9	Confident	94 Å²	94	58.6 Å²	58.6	44%	0.439	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.5	-174.1	-58.2	166.6	-152.5	0	0	112.4	V216 S219 Q223 T224 L231	V216-E221 HydrophobicContact CG1-CB 4.26Å; S219-E221 PolarHBondContact O-N 3.4Å; S219-E221 VanDerWaalsContact OG-CB 3.23Å; S219-E221 WeakPolarHBondContact OG-CB 3.26Å; S219-E221 WeakPolarHBondContact OG-CG 3.41Å; S219-E221 PolarHBondContact OG-N 2.85Å; S219-E221 VanDerWaalsContact OG-N 3.09Å; E221-Q223 PolarHBondContact O-N 3.32Å; E221-T224 VanDerWaalsContact O-CB 3.24Å; E221-T224 WeakPolarHBondContact O-CB 3.36Å; E221-T224 PolarHBondContact O-N 2.75Å; E221-T224 PolarHBondContact O-OG1 2.76Å; E221-T224 VanDerWaalsContact O-OG1 3.08Å; E221-L231 HydrophobicContact CB-CD1 3.82Å
222	I	83.3	Confident	84.1	Confident	12 Å²	12	59.7 Å²	59.7	6%	0.062	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-23.8	174.6	-166.6	62.6	0	0	0	112.6	L202 F207 V216 L217 G220 T224 V225 I226	L202-I222 HydrophobicContact CD1-CD1 3.94Å; L202-I222 HydrophobicContact CD2-CD1 4.14Å; L202-I222 HydrophobicContact CD2-CG1 4.1Å; F207-I222 HydrophobicContact CD2-CD1 3.88Å; F207-I222 HydrophobicContact CE2-CD1 3.49Å; F207-I222 VanDerWaalsContact CE2-CD1 3.49Å; F207-I222 HydrophobicContact CZ-CD1 4.49Å; V216-I222 HydrophobicContact CG1-CB 4.4Å; L217-I222 HydrophobicContact CD2-CD1 4.11Å; L217-I222 HydrophobicContact CD2-CG1 4.1Å; G220-I222 VanDerWaalsContact C-N 3.32Å; G220-I222 PolarHBondContact O-N 3.01Å; I222-T224 PolarHBondContact O-N 2.92Å; I222-V225 HydrophobicContact CD1-CG2 3.79Å; I222-V225 VanDerWaalsContact O-CG2 3.24Å; I222-V225 WeakPolarHBondContact O-CG2 3.41Å; I222-I226 HydrophobicContact CG1-CD1 4.05Å; I222-I226 WeakPolarHBondContact O-CG1 3.16Å; I222-I226 PolarHBondContact O-N 3.44Å
223	Q	82.2	Confident	84.1	Confident	77 Å²	77	59.5 Å²	59.5	36%	0.36	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-25	176.9	-63.9	-64.7	-16.2	0	0	112.4	G220 E221 I226 N227	G220-Q223 VanDerWaalsContact O-CB 3.29Å; G220-Q223 WeakPolarHBondContact O-CB 3.28Å; G220-Q223 WeakPolarHBondContact O-CG 3.44Å; G220-Q223 PolarHBondContact O-N 2.93Å; E221-Q223 PolarHBondContact O-N 3.32Å; Q223-I226 PolarHBondContact O-N 2.99Å; Q223-N227 VanDerWaalsContact O-CB 3.23Å; Q223-N227 WeakPolarHBondContact O-CB 3.36Å; Q223-N227 PolarHBondContact O-N 3.27Å; Q223-N227 PolarHBondContact O-ND2 3.19Å
224	T	84.3	Confident	84.1	Confident	39 Å²	39	63.4 Å²	63.4	24%	0.239	37%	0.372	C	S	.	.	H	α-helix	trans	-59.2	-54.9	178.5	-54.1	0	0	0	0	110.5	E221 I222 I226 N227 G228 E229 N230	E221-T224 VanDerWaalsContact O-CB 3.24Å; E221-T224 WeakPolarHBondContact O-CB 3.36Å; E221-T224 PolarHBondContact O-N 2.75Å; E221-T224 PolarHBondContact O-OG1 2.76Å; E221-T224 VanDerWaalsContact O-OG1 3.08Å; I222-T224 PolarHBondContact O-N 2.92Å; T224-I226 PolarHBondContact O-N 2.84Å; T224-N227 PolarHBondContact O-N 3.46Å; T224-G228 PolarHBondContact O-N 3.18Å; T224-E229 CarbonylContact C-O 3.26Å; T224-E229 VanDerWaalsContact C-O 3.26Å; T224-E229 HydrophobicContact CG2-CB 3.5Å; T224-E229 VanDerWaalsContact CG2-CB 3.5Å; T224-E229 WeakPolarHBondContact O-CA 3.3Å; T224-E229 WeakPolarHBondContact O-CB 3.28Å; T224-E229 PolarHBondContact O-N 2.76Å; T224-N230 VanDerWaalsContact CG2-O 3.25Å; T224-N230 WeakPolarHBondContact CG2-O 3.29Å
225	V	85.9	Confident	84.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-33.5	177	-74.8	0	0	0	0	113.5	I222 N227 G228 E229 L231 V244 T245	I222-V225 HydrophobicContact CD1-CG2 3.79Å; I222-V225 VanDerWaalsContact O-CG2 3.24Å; I222-V225 WeakPolarHBondContact O-CG2 3.41Å; V225-N227 VanDerWaalsContact C-N 3.26Å; V225-N227 PolarHBondContact O-N 2.81Å; V225-G228 PolarHBondContact O-N 2.79Å; V225-G228 VanDerWaalsContact O-N 3.13Å; V225-E229 VanDerWaalsContact CA-O 3.24Å; V225-E229 WeakPolarHBondContact CA-O 3.35Å; V225-E229 PolarHBondContact N-O 2.78Å; V225-L231 HydrophobicContact CG1-CB 3.5Å; V225-L231 VanDerWaalsContact CG1-CB 3.5Å; V225-V244 HydrophobicContact CB-CG2 3.99Å; V225-V244 HydrophobicContact CG1-CG2 4.08Å; V225-V244 HydrophobicContact CG2-CG2 3.95Å; V225-T245 HydrophobicContact CB-CG2 4.4Å; V225-T245 HydrophobicContact CG2-CG2 4.48Å
226	I	85	Confident	84.3	Confident	26 Å²	26	63.3 Å²	63.3	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-32.3	176.2	-70.5	171.9	0	0	0	111.4	R199 R200 I222 Q223 T224 G228 T245	R199-I226 HydrophobicContact CB-CG2 3.66Å; R199-I226 HydrophobicContact CG-CG2 4.31Å; R200-I226 WeakPolarHBondContact CB-O 3.44Å; R200-I226 PolarHBondContact N-O 3.32Å; R200-I226 VanDerWaalsContact N-O 3.11Å; I222-I226 HydrophobicContact CG1-CD1 4.05Å; I222-I226 WeakPolarHBondContact O-CG1 3.16Å; I222-I226 PolarHBondContact O-N 3.44Å; Q223-I226 PolarHBondContact O-N 2.99Å; T224-I226 PolarHBondContact O-N 2.84Å; I226-G228 VanDerWaalsContact C-N 3.28Å; I226-T245 HydrophobicContact CG1-CG2 4.43Å
227	N	80.9	Confident	84.6	Confident	81 Å²	81	67.3 Å²	67.3	43%	0.433	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.6	175.5	-66.8	-17.2	0	0	0	113.2	R199 Q223 T224 V225	R199-N227 WeakPolarHBondContact CD-OD1 3.47Å; R199-N227 PolarHBondContact NE-OD1 3.29Å; Q223-N227 VanDerWaalsContact O-CB 3.23Å; Q223-N227 WeakPolarHBondContact O-CB 3.36Å; Q223-N227 PolarHBondContact O-N 3.27Å; Q223-N227 PolarHBondContact O-ND2 3.19Å; T224-N227 PolarHBondContact O-N 3.46Å; V225-N227 VanDerWaalsContact C-N 3.26Å; V225-N227 PolarHBondContact O-N 2.81Å
228	G	80.7	Confident	85.1	Confident	39 Å²	39	69.4 Å²	69.4	40%	0.402	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	14.4	-179.7	0	0	0	0	0	114.7	T224 V225 I226 P241	T224-G228 PolarHBondContact O-N 3.18Å; V225-G228 PolarHBondContact O-N 2.79Å; V225-G228 VanDerWaalsContact O-N 3.13Å; I226-G228 VanDerWaalsContact C-N 3.28Å; G228-P241 WeakPolarHBondContact O-CG 3.39Å
229	E	86.4	Confident	85.7	Confident	119 Å²	119	60.6 Å²	60.6	56%	0.556	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-103.7	152.3	176.8	-63.3	173.9	178.1	0	0	111.5	T224 V225 L231	T224-E229 CarbonylContact C-O 3.26Å; T224-E229 VanDerWaalsContact C-O 3.26Å; T224-E229 HydrophobicContact CG2-CB 3.5Å; T224-E229 VanDerWaalsContact CG2-CB 3.5Å; T224-E229 WeakPolarHBondContact O-CA 3.3Å; T224-E229 WeakPolarHBondContact O-CB 3.28Å; T224-E229 PolarHBondContact O-N 2.76Å; V225-E229 VanDerWaalsContact CA-O 3.24Å; V225-E229 WeakPolarHBondContact CA-O 3.35Å; V225-E229 PolarHBondContact N-O 2.78Å; E229-L231 PolarHBondContact O-N 3.25Å
230	N	91.4	Very high	86.4	Confident	94 Å²	94	60.7 Å²	60.7	50%	0.503	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-69	129.3	178.1	-68.3	-20.7	0	0	0	111.5	T224 I238 S240 P241	T224-N230 VanDerWaalsContact CG2-O 3.25Å; T224-N230 WeakPolarHBondContact CG2-O 3.29Å; N230-I238 HydrophobicContact CB-CG2 3.75Å; N230-S240 WeakPolarHBondContact OD1-CA 3.25Å; N230-P241 WeakPolarHBondContact OD1-CD 3.35Å
231	L	89.9	Confident	86.8	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.3	173.9	167.6	68.7	0	0	0	110	I212 V216 E221 V225 E229 L233 I238 I239	I212-L231 HydrophobicContact CG2-CD2 4.43Å; V216-L231 HydrophobicContact CG1-CD1 4.36Å; V216-L231 HydrophobicContact CG1-CD2 3.81Å; E221-L231 HydrophobicContact CB-CD1 3.82Å; V225-L231 HydrophobicContact CG1-CB 3.5Å; V225-L231 VanDerWaalsContact CG1-CB 3.5Å; E229-L231 PolarHBondContact O-N 3.25Å; L231-L233 HydrophobicContact CD1-CD2 4.42Å; L231-L233 HydrophobicContact CD2-CD2 3.82Å; L231-L233 HydrophobicContact CG-CD2 3.96Å; L231-I238 CarbonylContact O-C 3.58Å; L231-I238 WeakPolarHBondContact O-CA 3.47Å; L231-I239 HydrophobicContact CB-CB 4.33Å; L231-I239 PolarHBondContact N-O 2.76Å; L231-I239 PolarHBondContact O-N 3Å
232	I	90.7	Very high	87	Confident	113 Å²	113	58.2 Å²	58.2	58%	0.579	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.9	176	-53.1	176.3	0	0	0	108.5	I238	I232-I238 HydrophobicContact CG1-CG1 4.43Å
233	L	87.4	Confident	87.3	Confident	7 Å²	7	62 Å²	62	4%	0.037	35%	0.349	C	S	.	.			trans	-80.5	159.3	179.7	-62.7	-177.7	0	0	0	111.7	I212 V216 L231 D235 G236 R237 I239	I212-L233 HydrophobicContact CG1-CD1 4.35Å; I212-L233 HydrophobicContact CG2-CD1 4.42Å; I212-L233 HydrophobicContact CG2-CD2 3.92Å; V216-L233 HydrophobicContact CG2-CD2 3.86Å; L231-L233 HydrophobicContact CD1-CD2 4.42Å; L231-L233 HydrophobicContact CD2-CD2 3.82Å; L231-L233 HydrophobicContact CG-CD2 3.96Å; L233-D235 WeakPolarHBondContact CB-OD1 3.42Å; L233-D235 PolarHBondContact O-N 2.79Å; L233-G236 PolarHBondContact O-N 2.99Å; L233-R237 HydrophobicContact CB-CB 4.47Å; L233-R237 HydrophobicContact CD1-CB 4.22Å; L233-R237 PolarHBondContact N-O 2.78Å; L233-I239 HydrophobicContact CD1-CD1 4.47Å; L233-I239 HydrophobicContact CD1-CG1 4.09Å; L233-I239 HydrophobicContact CG-CG1 4.32Å
234	S	85.3	Confident	87.7	Confident	130 Å²	130	58.4 Å²	58.4	91%	0.909	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.8	177.7	53.9	0	0	0	0	114.5	G236	S234-G236 VanDerWaalsContact C-N 3.29Å
235	D	87.5	Confident	88	Confident	93 Å²	93	56.6 Å²	56.6	50%	0.497	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.6	173.6	62.8	12.1	0	0	0	113.3	L233 R237	L233-D235 WeakPolarHBondContact CB-OD1 3.42Å; L233-D235 PolarHBondContact O-N 2.79Å; D235-R237 WeakPolarHBondContact OD1-CB 3.44Å; D235-R237 WeakPolarHBondContact OD1-CG 3.38Å; D235-R237 PolarHBondContact OD1-N 2.86Å; D235-R237 IonicContact OD1-NE 3.47Å; D235-R237 PolarHBondContact OD1-NE 2.83Å; D235-R237 IonicContact OD2-CZ 3.28Å; D235-R237 VanDerWaalsContact OD2-CZ 3.28Å; D235-R237 IonicContact OD2-NE 2.79Å; D235-R237 PolarHBondContact OD2-NE 2.76Å; D235-R237 IonicContact OD2-NH2 2.9Å; D235-R237 PolarHBondContact OD2-NH2 2.85Å
236	G	86.9	Confident	88	Confident	52 Å²	52	58.2 Å²	58.2	54%	0.536	34%	0.335	S	S	.	.	S	Bend	trans	91	-4.8	179.7	0	0	0	0	0	115.3	L233 S234	L233-G236 PolarHBondContact O-N 2.99Å; S234-G236 VanDerWaalsContact C-N 3.29Å
237	R	91.2	Very high	87.6	Confident	89 Å²	89	61 Å²	61	34%	0.336	35%	0.354	S	S	.	.			trans	-66.7	140.3	175.2	-68.7	-175.3	-69.2	153.2	-1.4	110.9	A210 C211 L233 D235	A210-R237 PolarHBondContact O-NH1 3.25Å; C211-R237 PolarHBondContact O-NH2 2.93Å; L233-R237 HydrophobicContact CB-CB 4.47Å; L233-R237 HydrophobicContact CD1-CB 4.22Å; L233-R237 PolarHBondContact N-O 2.78Å; D235-R237 WeakPolarHBondContact OD1-CB 3.44Å; D235-R237 WeakPolarHBondContact OD1-CG 3.38Å; D235-R237 PolarHBondContact OD1-N 2.86Å; D235-R237 IonicContact OD1-NE 3.47Å; D235-R237 PolarHBondContact OD1-NE 2.83Å; D235-R237 IonicContact OD2-CZ 3.28Å; D235-R237 VanDerWaalsContact OD2-CZ 3.28Å; D235-R237 IonicContact OD2-NE 2.79Å; D235-R237 PolarHBondContact OD2-NE 2.76Å; D235-R237 IonicContact OD2-NH2 2.9Å; D235-R237 PolarHBondContact OD2-NH2 2.85Å
238	I	92.1	Very high	87.6	Confident	104 Å²	104	57.7 Å²	57.7	53%	0.533	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.6	174.5	-54.6	178.8	0	0	0	107.5	N230 L231 I232	N230-I238 HydrophobicContact CB-CG2 3.75Å; L231-I238 CarbonylContact O-C 3.58Å; L231-I238 WeakPolarHBondContact O-CA 3.47Å; I232-I238 HydrophobicContact CG1-CG1 4.43Å
239	I	90.3	Very high	87.4	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.036	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.9	177.8	-54.1	-58.9	0	0	0	108.1	I212 L231 L233 E243 V244	I212-I239 HydrophobicContact CD1-CB 4.45Å; I212-I239 HydrophobicContact CD1-CG1 3.99Å; I212-I239 HydrophobicContact CD1-CG2 3.94Å; I212-I239 HydrophobicContact CG1-CG1 4.25Å; L231-I239 HydrophobicContact CB-CB 4.33Å; L231-I239 PolarHBondContact N-O 2.76Å; L231-I239 PolarHBondContact O-N 3Å; L233-I239 HydrophobicContact CD1-CD1 4.47Å; L233-I239 HydrophobicContact CD1-CG1 4.09Å; L233-I239 HydrophobicContact CG-CG1 4.32Å; I239-E243 HydrophobicContact CG2-CB 4.26Å; I239-V244 HydrophobicContact CG2-CG1 3.78Å; I239-V244 HydrophobicContact CG2-CG2 3.96Å
240	S	90.9	Very high	87	Confident	34 Å²	34	57.8 Å²	57.8	24%	0.238	34%	0.341	C	S	.	.			trans	-74.4	152.6	173.9	69.2	0	0	0	0	111.6	N230 D242 E243	N230-S240 WeakPolarHBondContact OD1-CA 3.25Å; S240-D242 VanDerWaalsContact C-N 3.32Å; S240-D242 PolarHBondContact O-N 2.89Å; S240-E243 VanDerWaalsContact CB-OE1 3.32Å; S240-E243 WeakPolarHBondContact CB-OE1 3.48Å; S240-E243 PolarHBondContact N-OE1 2.76Å; S240-E243 WeakPolarHBondContact O-CB 3.25Å; S240-E243 PolarHBondContact O-N 2.87Å; S240-E243 VanDerWaalsContact OG-CG 3.29Å; S240-E243 WeakPolarHBondContact OG-CG 3.4Å; S240-E243 PolarHBondContact OG-OE1 2.92Å
241	P	86.8	Confident	86.6	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-54.2	-43.2	177.5	-26.9	32.4	0	0	0	113.9	G228 N230 E243 V244 T245	G228-P241 WeakPolarHBondContact O-CG 3.39Å; N230-P241 WeakPolarHBondContact OD1-CD 3.35Å; P241-E243 PolarHBondContact O-N 3.45Å; P241-V244 PolarHBondContact O-N 2.82Å; P241-T245 WeakPolarHBondContact O-CA 3.39Å; P241-T245 WeakPolarHBondContact O-CB 3.41Å; P241-T245 PolarHBondContact O-N 3.02Å; P241-T245 PolarHBondContact O-OG1 3.36Å
242	D	88.9	Confident	86.6	Confident	96 Å²	96	56 Å²	56	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-67.1	-24	-176.1	-65.4	-58.8	0	0	0	113.3	R200 S240 V244	R200-D242 IonicContact CZ-OD1 3.37Å; R200-D242 IonicContact NH1-OD1 3.77Å; R200-D242 PolarHBondContact NH1-OD1 2.89Å; R200-D242 IonicContact NH2-OD1 2.64Å; R200-D242 PolarHBondContact NH2-OD1 2.86Å; S240-D242 VanDerWaalsContact C-N 3.32Å; S240-D242 PolarHBondContact O-N 2.89Å; D242-V244 VanDerWaalsContact C-N 3.29Å; D242-V244 PolarHBondContact O-N 2.93Å
243	E	89.2	Confident	86.8	Confident	92 Å²	92	50.6 Å²	50.6	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-65.3	-32.5	174.5	-76.4	169.8	-103.9	0	0	112.2	K206 I239 S240 P241	K206-E243 VanDerWaalsContact CB-O 3.3Å; K206-E243 WeakPolarHBondContact CB-O 3.44Å; K206-E243 WeakPolarHBondContact CD-O 3.2Å; I239-E243 HydrophobicContact CG2-CB 4.26Å; S240-E243 VanDerWaalsContact CB-OE1 3.32Å; S240-E243 WeakPolarHBondContact CB-OE1 3.48Å; S240-E243 PolarHBondContact N-OE1 2.76Å; S240-E243 WeakPolarHBondContact O-CB 3.25Å; S240-E243 PolarHBondContact O-N 2.87Å; S240-E243 VanDerWaalsContact OG-CG 3.29Å; S240-E243 WeakPolarHBondContact OG-CG 3.4Å; S240-E243 PolarHBondContact OG-OE1 2.92Å; P241-E243 PolarHBondContact O-N 3.45Å
244	V	90.3	Very high	87.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-126.3	-8.7	-171.4	-64.7	0	0	0	0	114.7	L202 I203 A210 I212 V225 I239 P241 D242	L202-V244 HydrophobicContact CD1-CB 4.29Å; L202-V244 HydrophobicContact CD1-CG2 4.39Å; L202-V244 WeakPolarHBondContact CD1-O 3.46Å; I203-V244 PolarHBondContact N-O 3.29Å; A210-V244 HydrophobicContact CB-CG1 4.05Å; I212-V244 HydrophobicContact CD1-CG1 3.72Å; V225-V244 HydrophobicContact CB-CG2 3.99Å; V225-V244 HydrophobicContact CG1-CG2 4.08Å; V225-V244 HydrophobicContact CG2-CG2 3.95Å; I239-V244 HydrophobicContact CG2-CG1 3.78Å; I239-V244 HydrophobicContact CG2-CG2 3.96Å; P241-V244 PolarHBondContact O-N 2.82Å; D242-V244 VanDerWaalsContact C-N 3.29Å; D242-V244 PolarHBondContact O-N 2.93Å
245	T	90.2	Very high	87.8	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.4	-178	68.4	0	0	0	0	111.8	R200 K201 L202 V225 I226 P241	R200-T245 HydrophobicContact CB-CG2 4.32Å; R200-T245 PolarHBondContact NE-OG1 3.46Å; R200-T245 PolarHBondContact NH2-O 3.36Å; R200-T245 PolarHBondContact NH2-OG1 3.36Å; K201-T245 CarbonylContact O-C 3.19Å; K201-T245 WeakPolarHBondContact O-CA 3.44Å; K201-T245 WeakPolarHBondContact O-CB 3.37Å; L202-T245 HydrophobicContact CD1-CG2 4.05Å; V225-T245 HydrophobicContact CB-CG2 4.4Å; V225-T245 HydrophobicContact CG2-CG2 4.48Å; I226-T245 HydrophobicContact CG1-CG2 4.43Å; P241-T245 WeakPolarHBondContact O-CA 3.39Å; P241-T245 WeakPolarHBondContact O-CB 3.41Å; P241-T245 PolarHBondContact O-N 3.02Å; P241-T245 PolarHBondContact O-OG1 3.36Å
246	A	85.3	Confident	88.3	Confident	33 Å²	33	39.7 Å²	39.7	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138	166.3	0	0	0	0	0	110	R200 K201 I203	R200-A246 WeakPolarHBondContact CA-O 3.47Å; R200-A246 WeakPolarHBondContact CB-O 3.32Å; K201-A246 PolarHBondContact N-O 3.45Å; K201-A246 PolarHBondContact O-N 3.3Å; I203-A246 HydrophobicContact CD1-CB 4.01Å; I203-A246 HydrophobicContact CG1-CB 4.27Å
247	P	77.1	Confident	88.8	Confident	85 Å²	85	37.2 Å²	37.2	55%	0.552	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-60.3	141.8	168.6	27.9	-33.5	0	0	0	109.4
248	S	80.1	Confident	89.1	Confident	11 Å²	11	33.1 Å²	33.1	8%	0.077	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.6	144.1	170.1	47.8	0	0	0	0	110.5	R197 T198	R197-S248 WeakPolarHBondContact CD-OG 3.29Å; R197-S248 WeakPolarHBondContact CG-OG 3.45Å; R197-S248 PolarHBondContact NE-O 2.87Å; R197-S248 VanDerWaalsContact NE-O 3.16Å; R197-S248 PolarHBondContact NH2-O 2.63Å; T198-S248 WeakPolarHBondContact O-CB 3.48Å; T198-S248 PolarHBondContact O-OG 3.15Å; T198-S248 WeakPolarHBondContact OG1-CB 3.31Å
249	P	77.3	Confident	89.3	Confident	98 Å²	98	28.2 Å²	28.2	64%	0.636	17%	0.168	S	C	*	.	P	Polyproline II helix	trans	-57.4	155	176.1	25.4	-33.9	0	0	0	111.3	R197 S251	R197-P249 PolarHBondContact NE-O 3.21Å; P249-S251 PolarHBondContact O-N 2.76Å
250	P	78.6	Confident	89.4	Confident	62 Å²	62	29.4 Å²	29.4	40%	0.403	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-50	137.1	169	-24	33.8	0	0	0	111.1	T288	P250-T288 HydrophobicContact CB-CG2 3.82Å
251	S	82.9	Confident	89.5	Confident	8 Å²	8	30.5 Å²	30.5	6%	0.056	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-64.3	146.9	169.3	34	0	0	0	0	110.8	P195 P249 T288	P195-S251 WeakPolarHBondContact O-CB 3.44Å; P195-S251 PolarHBondContact O-OG 2.74Å; P249-S251 PolarHBondContact O-N 2.76Å; S251-T288 WeakPolarHBondContact CB-OG1 3.42Å; S251-T288 WeakPolarHBondContact O-CB 3.27Å; S251-T288 PolarHBondContact O-OG1 2.86Å; S251-T288 WeakPolarHBondContact OG-CB 3.47Å; S251-T288 WeakPolarHBondContact OG-CG2 3.42Å; S251-T288 PolarHBondContact OG-OG1 3.04Å
252	K	89.8	Confident	89.9	Confident	51 Å²	51	32.9 Å²	32.9	22%	0.222	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-102.8	127	176.6	-69.9	-171.3	-177.3	-171.3	0	108.3	P195 S292 L405 T409	P195-K252 WeakPolarHBondContact CD-O 3.35Å; P195-K252 VanDerWaalsContact CG-O 3.23Å; P195-K252 WeakPolarHBondContact CG-O 3.46Å; K252-S292 WeakPolarHBondContact CA-OG 3.45Å; K252-S292 WeakPolarHBondContact CB-OG 3.32Å; K252-L405 HydrophobicContact CB-CD1 3.47Å; K252-L405 VanDerWaalsContact CB-CD1 3.47Å; K252-L405 HydrophobicContact CB-CG 4.09Å; K252-L405 WeakPolarHBondContact O-CD2 3.44Å; K252-T409 HydrophobicContact CD-CG2 3.77Å; K252-T409 WeakPolarHBondContact CD-OG1 3.36Å; K252-T409 VanDerWaalsContact CE-OG1 3.27Å; K252-T409 WeakPolarHBondContact CE-OG1 3.23Å; K252-T409 PolarHBondContact NZ-OG1 2.94Å
253	N	94	Very high	90	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-97.2	154.9	-173.7	-54.5	-35.2	0	0	0	111.3	Y192 F193 Q194 T288 G290 S292 L293	Y192-N253 HydrophobicContact CD2-CB 4.41Å; Y192-N253 HydrophobicContact CE2-CB 3.5Å; Y192-N253 VanDerWaalsContact CE2-CB 3.5Å; Y192-N253 PolarHBondContact OH-ND2 3.12Å; F193-N253 WeakPolarHBondContact O-CA 3.27Å; Q194-N253 WeakPolarHBondContact CA-OD1 3.36Å; Q194-N253 HydrophobicContact CG-CB 4.3Å; N253-T288 PolarHBondContact ND2-O 3.48Å; N253-T288 PolarHBondContact OD1-OG1 3.27Å; N253-G290 WeakPolarHBondContact CB-O 3.39Å; N253-G290 PolarHBondContact ND2-O 2.78Å; N253-S292 PolarHBondContact O-N 3.25Å; N253-L293 PolarHBondContact O-N 3.36Å; N253-L293 VanDerWaalsContact O-N 3.16Å
254	M	96.4	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.2	-176.5	-49.8	167	-62.4	0	0	109.6	L37 I53 F154 F193 F256 L293 L405	L37-M254 HydrophobicContact CD1-SD 3.49Å; L37-M254 WeakPolarHBondContact CD1-SD 3.45Å; L37-M254 HydrophobicContact CD2-SD 3.68Å; L37-M254 HydrophobicContact CG-SD 3.82Å; I53-M254 HydrophobicContact CD1-CE 4.06Å; I53-M254 HydrophobicContact CG2-CE 4.4Å; F154-M254 HydrophobicContact CD1-CE 4.26Å; F154-M254 HydrophobicContact CE1-CE 3.53Å; F154-M254 HydrophobicContact CZ-CE 4.1Å; F193-M254 HydrophobicContact CB-CB 4.28Å; F193-M254 HydrophobicContact CB-CE 3.51Å; F193-M254 HydrophobicContact CD1-CE 4.32Å; F193-M254 HydrophobicContact CG-CE 4.09Å; F193-M254 PolarHBondContact N-O 3.03Å; F193-M254 PolarHBondContact O-N 3.26Å; M254-F256 HydrophobicContact CB-CE2 4.29Å; M254-L293 CarbonylContact C-O 3.44Å; M254-L293 WeakPolarHBondContact CA-O 3.48Å; M254-L405 HydrophobicContact CE-CD2 4.43Å; M254-L405 HydrophobicContact CG-CD1 4.28Å; M254-L405 HydrophobicContact CG-CD2 4.14Å; M254-L405 HydrophobicContact SD-CD2 3.81Å
255	L	98	Very high	90.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.6	176.2	-179.3	64.9	0	0	0	109.9	M190 Y191 I257 F274 V291 L293 V294 V295 L315	M190-L255 HydrophobicContact CB-CD1 4.49Å; Y191-L255 WeakPolarHBondContact O-CA 3.4Å; L255-I257 HydrophobicContact CD2-CD1 3.68Å; L255-I257 HydrophobicContact CD2-CG1 3.91Å; L255-I257 HydrophobicContact CG-CD1 4.15Å; L255-I257 HydrophobicContact CG-CG1 3.8Å; L255-F274 HydrophobicContact CD1-CE2 3.69Å; L255-F274 HydrophobicContact CD1-CZ 4.25Å; L255-F274 HydrophobicContact CD2-CE1 4.46Å; L255-F274 HydrophobicContact CD2-CE2 3.67Å; L255-F274 HydrophobicContact CD2-CZ 3.35Å; L255-F274 HydrophobicContact CG-CE2 4.35Å; L255-F274 HydrophobicContact CG-CZ 4.45Å; L255-V291 HydrophobicContact CB-CG1 3.83Å; L255-L293 PolarHBondContact N-O 2.78Å; L255-V294 HydrophobicContact CB-CG1 4.34Å; L255-V294 HydrophobicContact CB-CG2 4.25Å; L255-V294 HydrophobicContact CD2-CG1 4.23Å; L255-V294 HydrophobicContact CD2-CG2 4.32Å; L255-V294 HydrophobicContact CG-CG1 4.38Å; L255-V294 CarbonylContact O-C 3.37Å; L255-V294 WeakPolarHBondContact O-CA 3.11Å; L255-V295 PolarHBondContact O-N 3.42Å; L255-L315 HydrophobicContact CD2-CD1 3.93Å; L255-L315 HydrophobicContact CD2-CD2 4.36Å
256	F	98.5	Very high	90.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.9	173	-66.6	-96.1	0	0	0	109.3	L37 M51 I53 V62 M190 Y191 F193 M254 V295 F297	L37-F256 HydrophobicContact CD2-CE1 4.41Å; L37-F256 HydrophobicContact CD2-CZ 3.73Å; M51-F256 HydrophobicContact CB-CE1 3.96Å; M51-F256 HydrophobicContact CG-CE1 4.14Å; I53-F256 HydrophobicContact CD1-CE2 3.86Å; I53-F256 HydrophobicContact CD1-CZ 3.77Å; I53-F256 HydrophobicContact CG1-CZ 4.12Å; V62-F256 HydrophobicContact CB-CD1 4.05Å; V62-F256 HydrophobicContact CB-CE1 4.01Å; V62-F256 HydrophobicContact CG1-CB 4.33Å; V62-F256 HydrophobicContact CG1-CD1 3.72Å; V62-F256 HydrophobicContact CG1-CE1 4.21Å; V62-F256 HydrophobicContact CG1-CG 4.06Å; V62-F256 HydrophobicContact CG2-CD1 4.01Å; V62-F256 HydrophobicContact CG2-CD2 4.38Å; V62-F256 HydrophobicContact CG2-CE1 3.72Å; V62-F256 HydrophobicContact CG2-CE2 4.13Å; V62-F256 HydrophobicContact CG2-CG 4.32Å; V62-F256 HydrophobicContact CG2-CZ 3.78Å; M190-F256 VanDerWaalsContact CA-O 3.27Å; M190-F256 WeakPolarHBondContact CA-O 3.33Å; Y191-F256 PolarHBondContact N-O 2.89Å; Y191-F256 VanDerWaalsContact N-O 3.1Å; Y191-F256 PolarHBondContact O-N 3.14Å; F193-F256 AromaticContact CD2-CD2 3.7Å; F193-F256 HydrophobicContact CD2-CD2 3.7Å; F193-F256 AromaticContact CD2-CE2 3.71Å; F193-F256 HydrophobicContact CD2-CE2 3.71Å; F193-F256 AromaticContact CE2-CD2 3.76Å; F193-F256 HydrophobicContact CE2-CD2 3.76Å; F193-F256 AromaticContact CE2-CE2 3.84Å; F193-F256 HydrophobicContact CE2-CE2 3.84Å; F193-F256 HydrophobicContact CG-CE2 4.42Å; M254-F256 HydrophobicContact CB-CE2 4.29Å; F256-V295 HydrophobicContact CD1-CB 3.57Å; F256-V295 HydrophobicContact CD1-CG1 3.79Å; F256-V295 HydrophobicContact CD1-CG2 3.95Å; F256-V295 HydrophobicContact CE1-CB 3.84Å; F256-V295 HydrophobicContact CE1-CG1 3.99Å; F256-V295 HydrophobicContact CE1-CG2 3.68Å; F256-V295 HydrophobicContact CG-CB 4.28Å; F256-V295 HydrophobicContact CZ-CG2 4.22Å; F256-F297 HydrophobicContact CB-CE2 4.23Å; F256-F297 AromaticContact CD1-CE2 3.89Å; F256-F297 HydrophobicContact CD1-CE2 3.89Å; F256-F297 AromaticContact CD1-CZ 3.99Å; F256-F297 HydrophobicContact CD1-CZ 3.99Å
257	I	97.9	Very high	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.1	-177.9	-52.1	-176.8	0	0	0	108.4	M190 L255 F268 V294 V295 F297 F311 L315	M190-I257 HydrophobicContact CG-CG1 4.45Å; M190-I257 HydrophobicContact CG-CG2 4.44Å; M190-I257 HydrophobicContact SD-CD1 4.27Å; M190-I257 HydrophobicContact SD-CG1 3.94Å; M190-I257 HydrophobicContact SD-CG2 4.16Å; L255-I257 HydrophobicContact CD2-CD1 3.68Å; L255-I257 HydrophobicContact CD2-CG1 3.91Å; L255-I257 HydrophobicContact CG-CD1 4.15Å; L255-I257 HydrophobicContact CG-CG1 3.8Å; I257-F268 HydrophobicContact CG2-CD1 4.21Å; I257-F268 HydrophobicContact CG2-CE1 3.73Å; I257-F268 HydrophobicContact CG2-CZ 4.01Å; I257-V294 HydrophobicContact CD1-CG1 3.59Å; I257-V294 HydrophobicContact CG1-CG1 3.93Å; I257-V295 PolarHBondContact N-O 3.25Å; I257-F297 WeakPolarHBondContact O-CD2 3.24Å; I257-F297 PolarHBondContact O-N 3.46Å; I257-F311 HydrophobicContact CD1-CE1 3.59Å; I257-F311 HydrophobicContact CD1-CZ 3.68Å; I257-F311 HydrophobicContact CG2-CE1 4.37Å; I257-L315 HydrophobicContact CD1-CD2 4.13Å
258	D	96	Very high	92.1	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	104.3	175.2	-174.6	-15.9	0	0	0	110.2	T88 R89 V188 P260 F268 F297	T88-D258 WeakPolarHBondContact CB-OD2 3.37Å; T88-D258 HydrophobicContact CG2-CB 4.05Å; T88-D258 PolarHBondContact OG1-OD2 3.16Å; R89-D258 IonicContact CZ-OD1 3.72Å; R89-D258 IonicContact CZ-OD2 3.98Å; R89-D258 IonicContact NE-OD1 2.76Å; R89-D258 PolarHBondContact NE-OD1 3.21Å; R89-D258 VanDerWaalsContact NE-OD1 3.09Å; R89-D258 IonicContact NE-OD2 3.64Å; R89-D258 PolarHBondContact NE-OD2 2.83Å; R89-D258 IonicContact NH2-OD1 3.92Å; R89-D258 IonicContact NH2-OD2 3.09Å; R89-D258 PolarHBondContact NH2-OD2 2.92Å; V188-D258 HydrophobicContact CG1-CB 3.97Å; V188-D258 WeakPolarHBondContact CG1-O 3.45Å; D258-P260 VanDerWaalsContact O-CD 3.29Å; D258-P260 WeakPolarHBondContact O-CD 3.47Å; D258-F268 WeakPolarHBondContact O-CZ 3.4Å; D258-F297 CarbonylContact C-O 3.52Å; D258-F297 WeakPolarHBondContact CA-O 3.16Å; D258-F297 HydrophobicContact CB-CB 4.06Å; D258-F297 HydrophobicContact CB-CD2 4.04Å
259	C	96.7	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.171	C	C	.	.			trans	-107.6	97.6	-179.9	-172.8	0	0	0	0	109.4	N261 F268 F297 T298 P299 M302 Y308	C259-N261 PolarHBondContact O-N 3Å; C259-N261 PolarHBondContact SG-O 3.28Å; C259-N261 VanDerWaalsContact SG-O 3.32Å; C259-F268 HydrophobicContact CB-CD2 4.43Å; C259-F268 HydrophobicContact CB-CE2 3.71Å; C259-F268 HydrophobicContact CB-CZ 4.28Å; C259-F297 PolarHBondContact N-O 3.26Å; C259-T298 HydrophobicContact CB-CG2 4.27Å; C259-P299 WeakPolarHBondContact O-CD 3.46Å; C259-M302 HydrophobicContact CB-SD 4.03Å; C259-Y308 HydrophobicContact CB-CD2 4.49Å; C259-Y308 HydrophobicContact CB-CE2 3.63Å
260	P	93	Very high	93.6	Very high	33 Å²	33	27.7 Å²	27.7	21%	0.214	17%	0.167	C	C	.	.			trans	-74.4	-26.9	-169.5	28.9	-36.9	0	0	0	113.9	V188 D258 Y264 P299	V188-P260 HydrophobicContact CG2-CG 4.15Å; D258-P260 VanDerWaalsContact O-CD 3.29Å; D258-P260 WeakPolarHBondContact O-CD 3.47Å; P260-Y264 HydrophobicContact CG-CD2 3.65Å; P260-Y264 HydrophobicContact CG-CE2 3.44Å; P260-Y264 VanDerWaalsContact CG-CE2 3.44Å; P260-Y264 HydrophobicContact CG-CG 4.37Å; P260-P299 WeakPolarHBondContact O-CG 3.38Å
261	N	93.1	Very high	94.3	Very high	56 Å²	56	26 Å²	26	30%	0.299	16%	0.155	S	C	.	.	S	Bend	trans	-156	171.1	175.2	60.7	56.6	0	0	0	110.2	C259 D263 Y264	C259-N261 PolarHBondContact O-N 3Å; C259-N261 PolarHBondContact SG-O 3.28Å; C259-N261 VanDerWaalsContact SG-O 3.32Å; N261-D263 PolarHBondContact O-N 3.33Å; N261-D263 WeakPolarHBondContact OD1-CB 3.47Å; N261-D263 PolarHBondContact OD1-N 3.26Å; N261-Y264 PolarHBondContact O-N 3.48Å; N261-Y264 WeakPolarHBondContact OD1-CD2 3.25Å
262	S	93.7	Very high	94.8	Very high	59 Å²	59	30.2 Å²	30.2	41%	0.413	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-62.8	-22.2	-176.5	47	0	0	0	0	114.1	Y264 I265	S262-Y264 PolarHBondContact O-N 2.94Å; S262-I265 WeakPolarHBondContact O-CB 3.44Å; S262-I265 WeakPolarHBondContact O-CG1 3.46Å; S262-I265 PolarHBondContact O-N 3.36Å; S262-I265 VanDerWaalsContact O-N 3.16Å
263	D	92.5	Very high	95	Very high	75 Å²	75	34.5 Å²	34.5	40%	0.401	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-66	-24.4	-175.4	-52.9	-16.6	0	0	0	112.2	K163 P164 N261 P266	K163-D263 WeakPolarHBondContact CE-OD2 3.31Å; K163-D263 HydrophobicContact CG-CB 4.46Å; K163-D263 IonicContact NZ-OD2 3.52Å; K163-D263 PolarHBondContact NZ-OD2 3.38Å; P164-D263 WeakPolarHBondContact CD-O 3.2Å; P164-D263 VanDerWaalsContact CG-O 3.28Å; P164-D263 WeakPolarHBondContact CG-O 2.93Å; N261-D263 PolarHBondContact O-N 3.33Å; N261-D263 WeakPolarHBondContact OD1-CB 3.47Å; N261-D263 PolarHBondContact OD1-N 3.26Å; D263-P266 WeakPolarHBondContact O-CD 3.4Å
264	Y	94.6	Very high	95	Very high	10 Å²	10	34.5 Å²	34.5	4%	0.039	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-81.7	-18.4	179	-70.7	-97	0	0	0	113.3	I161 K163 S186 V188 P260 N261 S262 A267 F268	I161-Y264 HydrophobicContact CG2-CD1 4.47Å; K163-Y264 HydrophobicContact CB-CD1 4.37Å; K163-Y264 HydrophobicContact CB-CE1 3.69Å; K163-Y264 HydrophobicContact CB-CE2 4.29Å; K163-Y264 HydrophobicContact CD-CE2 4.24Å; K163-Y264 HydrophobicContact CG-CE1 4.31Å; K163-Y264 HydrophobicContact CG-CE2 4.09Å; S186-Y264 WeakPolarHBondContact CB-OH 3.48Å; S186-Y264 PolarHBondContact O-OH 3.23Å; V188-Y264 HydrophobicContact CG2-CD1 3.92Å; V188-Y264 HydrophobicContact CG2-CE1 3.63Å; P260-Y264 HydrophobicContact CG-CD2 3.65Å; P260-Y264 HydrophobicContact CG-CE2 3.44Å; P260-Y264 VanDerWaalsContact CG-CE2 3.44Å; P260-Y264 HydrophobicContact CG-CG 4.37Å; N261-Y264 PolarHBondContact O-N 3.48Å; N261-Y264 WeakPolarHBondContact OD1-CD2 3.25Å; S262-Y264 PolarHBondContact O-N 2.94Å; Y264-A267 WeakPolarHBondContact O-CB 3.48Å; Y264-A267 PolarHBondContact O-N 2.92Å; Y264-F268 WeakPolarHBondContact O-CD2 3.29Å; Y264-F268 PolarHBondContact O-N 3.49Å
265	I	95.7	Very high	94.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-55.3	-45.4	-173.4	-60.6	173.9	0	0	0	112.1	S262 A267 F268 I269 Q307 Y308 F311	S262-I265 WeakPolarHBondContact O-CB 3.44Å; S262-I265 WeakPolarHBondContact O-CG1 3.46Å; S262-I265 PolarHBondContact O-N 3.36Å; S262-I265 VanDerWaalsContact O-N 3.16Å; I265-A267 VanDerWaalsContact C-N 3.3Å; I265-A267 PolarHBondContact O-N 3.04Å; I265-F268 PolarHBondContact O-N 3.09Å; I265-I269 HydrophobicContact CG2-CD1 3.88Å; I265-I269 HydrophobicContact CG2-CG1 4.46Å; I265-I269 WeakPolarHBondContact O-CG1 3.41Å; I265-I269 PolarHBondContact O-N 3.2Å; I265-I269 VanDerWaalsContact O-N 3.08Å; I265-Q307 HydrophobicContact CD1-CB 3.86Å; I265-Q307 HydrophobicContact CG2-CB 4.15Å; I265-Q307 WeakPolarHBondContact CG2-O 3.39Å; I265-Y308 HydrophobicContact CD1-CD2 4.02Å; I265-Y308 HydrophobicContact CG1-CD2 4.01Å; I265-F311 HydrophobicContact CG2-CB 4.48Å
266	P	94.7	Very high	94.7	Very high	72 Å²	72	38.9 Å²	38.9	47%	0.468	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-39.5	176.2	-24.6	35.8	0	0	0	113.3	D263 I269 S270	D263-P266 WeakPolarHBondContact O-CD 3.4Å; P266-I269 PolarHBondContact O-N 2.89Å; P266-S270 PolarHBondContact O-N 3.01Å; P266-S270 PolarHBondContact O-OG 3.05Å; P266-S270 VanDerWaalsContact O-OG 3.04Å
267	A	94.4	Very high	94.3	Very high	17 Å²	17	40.1 Å²	40.1	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-33.8	179.5	0	0	0	0	0	112.5	I161 F162 P164 Y264 I265 N271	I161-A267 HydrophobicContact CG2-CB 3.71Å; F162-A267 WeakPolarHBondContact O-CB 3.45Å; P164-A267 HydrophobicContact CG-CB 4.17Å; Y264-A267 WeakPolarHBondContact O-CB 3.48Å; Y264-A267 PolarHBondContact O-N 2.92Å; I265-A267 VanDerWaalsContact C-N 3.3Å; I265-A267 PolarHBondContact O-N 3.04Å; A267-N271 PolarHBondContact O-N 2.98Å
268	F	95.3	Very high	94	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-44.8	170.8	-75.2	-68.4	0	0	0	111.7	I161 V188 M190 I257 D258 C259 Y264 I265 S270 N271 F275 F311	I161-F268 HydrophobicContact CB-CE1 4.27Å; I161-F268 HydrophobicContact CG1-CD1 4.02Å; I161-F268 HydrophobicContact CG1-CE1 3.74Å; I161-F268 HydrophobicContact CG1-CZ 4.49Å; I161-F268 HydrophobicContact CG2-CD1 4.28Å; I161-F268 HydrophobicContact CG2-CE1 4.23Å; I161-F268 HydrophobicContact CG2-CG 4.49Å; I161-F268 HydrophobicContact CG2-CZ 4.39Å; V188-F268 HydrophobicContact CG1-CZ 4.21Å; M190-F268 HydrophobicContact CE-CD1 4.03Å; M190-F268 HydrophobicContact CE-CE1 4.32Å; M190-F268 HydrophobicContact CG-CD1 4.34Å; M190-F268 HydrophobicContact CG-CE1 3.73Å; M190-F268 HydrophobicContact SD-CD1 3.62Å; M190-F268 HydrophobicContact SD-CE1 3.61Å; I257-F268 HydrophobicContact CG2-CD1 4.21Å; I257-F268 HydrophobicContact CG2-CE1 3.73Å; I257-F268 HydrophobicContact CG2-CZ 4.01Å; D258-F268 WeakPolarHBondContact O-CZ 3.4Å; C259-F268 HydrophobicContact CB-CD2 4.43Å; C259-F268 HydrophobicContact CB-CE2 3.71Å; C259-F268 HydrophobicContact CB-CZ 4.28Å; Y264-F268 WeakPolarHBondContact O-CD2 3.29Å; Y264-F268 PolarHBondContact O-N 3.49Å; I265-F268 PolarHBondContact O-N 3.09Å; F268-S270 PolarHBondContact O-N 2.91Å; F268-N271 PolarHBondContact O-N 3.37Å; F268-F275 WeakPolarHBondContact O-CE2 3.49Å; F268-F311 HydrophobicContact CB-CD2 3.83Å; F268-F311 HydrophobicContact CB-CE1 4.46Å; F268-F311 HydrophobicContact CB-CE2 3.69Å; F268-F311 HydrophobicContact CB-CG 4.29Å; F268-F311 HydrophobicContact CB-CZ 4.02Å; F268-F311 HydrophobicContact CD1-CZ 4.42Å; F268-F311 HydrophobicContact CG-CZ 4.47Å
269	I	94.9	Very high	93.7	Very high	51 Å²	51	44.5 Å²	44.5	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-37.5	-179.3	-66.4	170.8	0	0	0	111.6	I265 P266 F275 K310 F311 K314	I265-I269 HydrophobicContact CG2-CD1 3.88Å; I265-I269 HydrophobicContact CG2-CG1 4.46Å; I265-I269 WeakPolarHBondContact O-CG1 3.41Å; I265-I269 PolarHBondContact O-N 3.2Å; I265-I269 VanDerWaalsContact O-N 3.08Å; P266-I269 PolarHBondContact O-N 2.89Å; I269-F275 WeakPolarHBondContact O-CE2 3.49Å; I269-K310 HydrophobicContact CD1-CB 4.36Å; I269-F311 HydrophobicContact CD1-CB 4.05Å; I269-F311 HydrophobicContact CG1-CB 3.62Å; I269-F311 HydrophobicContact CG1-CD2 3.89Å; I269-F311 HydrophobicContact CG1-CG 4.2Å; I269-K314 HydrophobicContact CG2-CD 4.15Å; I269-K314 PolarHBondContact O-NZ 3.2Å
270	S	94.2	Very high	93.2	Very high	79 Å²	79	47 Å²	47	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2	-176.7	63.9	0	0	0	0	114.8	P266 F268 E272	P266-S270 PolarHBondContact O-N 3.01Å; P266-S270 PolarHBondContact O-OG 3.05Å; P266-S270 VanDerWaalsContact O-OG 3.04Å; F268-S270 PolarHBondContact O-N 2.91Å; S270-E272 VanDerWaalsContact C-N 3.34Å; S270-E272 PolarHBondContact O-N 3.35Å
271	N	94.2	Very high	92.8	Very high	27 Å²	27	54.4 Å²	54.4	14%	0.144	30%	0.299	C	S	.	.			trans	-77.7	81.3	-179.8	-164.6	-58.4	0	0	0	111.9	I161 A267 F268 E273 F274 F275	I161-N271 HydrophobicContact CD1-CB 4.05Å; I161-N271 WeakPolarHBondContact CD1-ND2 3.37Å; A267-N271 PolarHBondContact O-N 2.98Å; F268-N271 PolarHBondContact O-N 3.37Å; N271-E273 VanDerWaalsContact C-N 3.28Å; N271-E273 PolarHBondContact O-N 3.12Å; N271-E273 PolarHBondContact OD1-N 2.72Å; N271-F274 HydrophobicContact CB-CB 4.27Å; N271-F274 PolarHBondContact O-N 3.26Å; N271-F274 WeakPolarHBondContact OD1-CB 3.33Å; N271-F274 PolarHBondContact OD1-N 3.11Å; N271-F275 WeakPolarHBondContact O-CD2 3.34Å; N271-F275 PolarHBondContact O-N 2.85Å
272	E	93.6	Very high	92.3	Very high	97 Å²	97	53.7 Å²	53.7	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-30.2	-180	-64.7	-57.4	137.7	0	0	112.9	S270 F274 F275 N276 K314	S270-E272 VanDerWaalsContact C-N 3.34Å; S270-E272 PolarHBondContact O-N 3.35Å; E272-F274 PolarHBondContact O-N 3.04Å; E272-F275 PolarHBondContact O-N 2.82Å; E272-N276 WeakPolarHBondContact O-CB 3.28Å; E272-N276 PolarHBondContact O-N 3.11Å; E272-N276 PolarHBondContact O-ND2 3.08Å; E272-K314 IonicContact OE1-NZ 3.82Å; E272-K314 PolarHBondContact OE1-NZ 3.44Å
273	E	92.9	Very high	91.5	Very high	141 Å²	141	56.8 Å²	56.8	66%	0.659	32%	0.316	S	S	*	.	H	α-helix	trans	-58.8	-48.1	176.1	-176.8	-175.2	174.6	0	0	111.3	F159 N271 S277	F159-E273 HydrophobicContact CD1-CG 4.38Å; F159-E273 HydrophobicContact CE1-CG 4.33Å; N271-E273 VanDerWaalsContact C-N 3.28Å; N271-E273 PolarHBondContact O-N 3.12Å; N271-E273 PolarHBondContact OD1-N 2.72Å; E273-S277 WeakPolarHBondContact O-CB 3.45Å; E273-S277 PolarHBondContact O-N 2.88Å
274	F	94.3	Very high	90.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-51.4	176.4	160.3	-110.7	0	0	0	112	F159 M190 L255 N271 E272 N276 S277 I278 L315	F159-F274 HydrophobicContact CB-CB 4.46Å; F159-F274 HydrophobicContact CD1-CB 3.88Å; F159-F274 HydrophobicContact CD2-CB 4.34Å; F159-F274 AromaticContact CD2-CD2 3.77Å; F159-F274 HydrophobicContact CD2-CD2 3.77Å; F159-F274 HydrophobicContact CD2-CG 4.47Å; F159-F274 HydrophobicContact CE1-CB 4.21Å; F159-F274 AromaticContact CE2-CD2 3.76Å; F159-F274 HydrophobicContact CE2-CD2 3.76Å; F159-F274 HydrophobicContact CG-CB 3.96Å; F159-F274 HydrophobicContact CG-CD2 4.25Å; F159-F274 HydrophobicContact CZ-CD2 4.24Å; M190-F274 HydrophobicContact CE-CB 4.02Å; M190-F274 HydrophobicContact CE-CD1 3.82Å; M190-F274 HydrophobicContact CE-CD2 4.05Å; M190-F274 HydrophobicContact CE-CE1 4.36Å; M190-F274 HydrophobicContact CE-CG 3.65Å; L255-F274 HydrophobicContact CD1-CE2 3.69Å; L255-F274 HydrophobicContact CD1-CZ 4.25Å; L255-F274 HydrophobicContact CD2-CE1 4.46Å; L255-F274 HydrophobicContact CD2-CE2 3.67Å; L255-F274 HydrophobicContact CD2-CZ 3.35Å; L255-F274 HydrophobicContact CG-CE2 4.35Å; L255-F274 HydrophobicContact CG-CZ 4.45Å; N271-F274 HydrophobicContact CB-CB 4.27Å; N271-F274 PolarHBondContact O-N 3.26Å; N271-F274 WeakPolarHBondContact OD1-CB 3.33Å; N271-F274 PolarHBondContact OD1-N 3.11Å; E272-F274 PolarHBondContact O-N 3.04Å; F274-N276 PolarHBondContact O-N 3.36Å; F274-S277 WeakPolarHBondContact O-CB 3.43Å; F274-S277 PolarHBondContact O-N 3.16Å; F274-S277 VanDerWaalsContact O-N 3.11Å; F274-I278 HydrophobicContact CD2-CG2 4.16Å; F274-I278 HydrophobicContact CE1-CD1 4.32Å; F274-I278 HydrophobicContact CE2-CD1 4.34Å; F274-I278 HydrophobicContact CE2-CG2 3.6Å; F274-I278 HydrophobicContact CZ-CD1 3.86Å; F274-I278 HydrophobicContact CZ-CG2 4.2Å; F274-I278 PolarHBondContact O-N 3.03Å; F274-I278 VanDerWaalsContact O-N 3.11Å; F274-L315 HydrophobicContact CE1-CD1 3.95Å; F274-L315 HydrophobicContact CZ-CD1 3.68Å
275	F	94.8	Very high	89.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-42.7	-178.4	-74.2	-67	0	0	0	112	F268 I269 N271 E272 S277 I278 Q279 F311 K314 L315 C318	F268-F275 WeakPolarHBondContact O-CE2 3.49Å; I269-F275 WeakPolarHBondContact O-CE2 3.49Å; N271-F275 WeakPolarHBondContact O-CD2 3.34Å; N271-F275 PolarHBondContact O-N 2.85Å; E272-F275 PolarHBondContact O-N 2.82Å; F275-S277 VanDerWaalsContact C-N 3.29Å; F275-S277 PolarHBondContact O-N 2.99Å; F275-I278 HydrophobicContact CD1-CD1 4.21Å; F275-I278 WeakPolarHBondContact O-CG1 3.24Å; F275-I278 PolarHBondContact O-N 3.45Å; F275-Q279 WeakPolarHBondContact O-CB 3.45Å; F275-Q279 WeakPolarHBondContact O-CG 3.44Å; F275-Q279 PolarHBondContact O-N 3.25Å; F275-Q279 VanDerWaalsContact O-N 3.11Å; F275-Q279 PolarHBondContact O-OE1 3.04Å; F275-F311 HydrophobicContact CE2-CE2 4.49Å; F275-F311 HydrophobicContact CZ-CD2 4.17Å; F275-F311 AromaticContact CZ-CE2 3.76Å; F275-F311 HydrophobicContact CZ-CE2 3.76Å; F275-K314 HydrophobicContact CD1-CG 4.41Å; F275-K314 HydrophobicContact CD2-CD 4.22Å; F275-K314 VanDerWaalsContact CD2-CE 3.46Å; F275-K314 HydrophobicContact CE1-CB 4.48Å; F275-K314 HydrophobicContact CE1-CD 4.16Å; F275-K314 HydrophobicContact CE1-CG 3.82Å; F275-K314 HydrophobicContact CE2-CD 3.67Å; F275-K314 VanDerWaalsContact CE2-CE 3.44Å; F275-K314 HydrophobicContact CE2-CG 4.27Å; F275-K314 HydrophobicContact CZ-CB 4.32Å; F275-K314 HydrophobicContact CZ-CD 3.62Å; F275-K314 HydrophobicContact CZ-CG 3.73Å; F275-L315 HydrophobicContact CE1-CD1 4.35Å; F275-C318 HydrophobicContact CD1-CB 3.68Å; F275-C318 VanDerWaalsContact CD1-SG 3.58Å; F275-C318 HydrophobicContact CE1-CB 4.3Å
276	N	92.9	Very high	89.3	Confident	93 Å²	93	67.5 Å²	67.5	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-40.4	173.7	-72.6	-40	0	0	0	111.5	E272 F274 I278 Q279 A280	E272-N276 WeakPolarHBondContact O-CB 3.28Å; E272-N276 PolarHBondContact O-N 3.11Å; E272-N276 PolarHBondContact O-ND2 3.08Å; F274-N276 PolarHBondContact O-N 3.36Å; N276-I278 PolarHBondContact O-N 3.33Å; N276-Q279 PolarHBondContact O-N 2.94Å; N276-A280 VanDerWaalsContact O-CB 3.22Å; N276-A280 WeakPolarHBondContact O-CB 3.33Å; N276-A280 PolarHBondContact O-N 2.81Å
277	S	91.3	Very high	89	Confident	25 Å²	25	64.5 Å²	64.5	18%	0.175	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-35.2	-179	-160.1	0	0	0	0	113.4	Q157 E273 F274 F275	Q157-S277 PolarHBondContact OE1-OG 2.86Å; E273-S277 WeakPolarHBondContact O-CB 3.45Å; E273-S277 PolarHBondContact O-N 2.88Å; F274-S277 WeakPolarHBondContact O-CB 3.43Å; F274-S277 PolarHBondContact O-N 3.16Å; F274-S277 VanDerWaalsContact O-N 3.11Å; F275-S277 VanDerWaalsContact C-N 3.29Å; F275-S277 PolarHBondContact O-N 2.99Å
278	I	91.7	Very high	88.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-79.4	-26.3	176.8	64.1	170.4	0	0	0	112.8	Y192 F274 F275 N276 G290 V291 L315 C318	Y192-I278 HydrophobicContact CD1-CG2 4.2Å; Y192-I278 HydrophobicContact CD2-CG2 4.32Å; Y192-I278 HydrophobicContact CE1-CG2 3.99Å; Y192-I278 HydrophobicContact CE2-CG2 4.11Å; Y192-I278 HydrophobicContact CG-CG2 4.37Å; F274-I278 HydrophobicContact CD2-CG2 4.16Å; F274-I278 HydrophobicContact CE1-CD1 4.32Å; F274-I278 HydrophobicContact CE2-CD1 4.34Å; F274-I278 HydrophobicContact CE2-CG2 3.6Å; F274-I278 HydrophobicContact CZ-CD1 3.86Å; F274-I278 HydrophobicContact CZ-CG2 4.2Å; F274-I278 PolarHBondContact O-N 3.03Å; F274-I278 VanDerWaalsContact O-N 3.11Å; F275-I278 HydrophobicContact CD1-CD1 4.21Å; F275-I278 WeakPolarHBondContact O-CG1 3.24Å; F275-I278 PolarHBondContact O-N 3.45Å; N276-I278 PolarHBondContact O-N 3.33Å; I278-G290 WeakPolarHBondContact O-CA 3.3Å; I278-G290 PolarHBondContact O-N 2.78Å; I278-V291 HydrophobicContact CB-CG2 4.06Å; I278-V291 HydrophobicContact CD1-CG2 4.13Å; I278-V291 HydrophobicContact CG2-CG2 3.86Å; I278-L315 HydrophobicContact CD1-CD1 4.02Å; I278-C318 HydrophobicContact CD1-CB 3.95Å; I278-C318 HydrophobicContact CG1-CB 4.48Å
279	Q	89.4	Confident	88.3	Confident	97 Å²	97	64.8 Å²	64.8	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-86.4	-26.4	178.3	-72.2	180	-60.6	0	0	113.6	F275 N276 E281 C318	F275-Q279 WeakPolarHBondContact O-CB 3.45Å; F275-Q279 WeakPolarHBondContact O-CG 3.44Å; F275-Q279 PolarHBondContact O-N 3.25Å; F275-Q279 VanDerWaalsContact O-N 3.11Å; F275-Q279 PolarHBondContact O-OE1 3.04Å; N276-Q279 PolarHBondContact O-N 2.94Å; Q279-E281 PolarHBondContact O-N 2.83Å; Q279-C318 HydrophobicContact CG-CB 3.92Å; Q279-C318 VanDerWaalsContact CG-O 3.22Å; Q279-C318 WeakPolarHBondContact CG-O 3.45Å; Q279-C318 PolarHBondContact NE2-SG 3.12Å
280	A	86.7	Confident	88	Confident	51 Å²	51	62.6 Å²	62.6	42%	0.421	34%	0.339	S	S	.	.	S	Bend	trans	-60.3	133.9	-177.3	0	0	0	0	0	111.8	N276 S289	N276-A280 VanDerWaalsContact O-CB 3.22Å; N276-A280 WeakPolarHBondContact O-CB 3.33Å; N276-A280 PolarHBondContact O-N 2.81Å; A280-S289 WeakPolarHBondContact O-CB 3.34Å; A280-S289 PolarHBondContact O-OG 3.47Å
281	E	83.1	Confident	87.9	Confident	189 Å²	189	59.1 Å²	59.1	88%	0.883	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-65	134.6	173.4	-68.1	-172.4	171.8	0	0	110.9	Q279 S289	Q279-E281 PolarHBondContact O-N 2.83Å; E281-S289 WeakPolarHBondContact CA-OG 3.24Å
282	E	82.6	Confident	87.8	Confident	42 Å²	42	59.1 Å²	59.1	20%	0.196	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-78.8	124.3	179.7	-69.8	-64.7	162.5	0	0	111.5	R155 Q194 N284 L287 T288 S289	R155-E282 IonicContact CZ-OE1 3.97Å; R155-E282 IonicContact CZ-OE2 3.84Å; R155-E282 VanDerWaalsContact CZ-OE2 3.32Å; R155-E282 IonicContact NH1-OE1 2.75Å; R155-E282 IonicContact NH1-OE2 3.35Å; R155-E282 PolarHBondContact NH1-OE2 3.35Å; R155-E282 IonicContact NH2-OE1 3.96Å; R155-E282 PolarHBondContact NH2-OE1 2.97Å; R155-E282 IonicContact NH2-OE2 3.79Å; R155-E282 PolarHBondContact NH2-OE2 3.42Å; R155-E282 VanDerWaalsContact NH2-OE2 3.07Å; Q194-E282 PolarHBondContact NE2-OE1 2.95Å; E282-N284 VanDerWaalsContact C-N 3.28Å; E282-L287 HydrophobicContact CB-CB 4.31Å; E282-L287 HydrophobicContact CG-CB 3.99Å; E282-T288 VanDerWaalsContact CG-C 3.48Å; E282-S289 PolarHBondContact N-OG 2.9Å
283	S	76.9	Confident	87.9	Confident	124 Å²	124	54.5 Å²	54.5	87%	0.867	30%	0.295	S	S	*	.	S	Bend	trans	-73	-22.6	171.4	57.8	0	0	0	0	113.1
284	N	78.9	Confident	88.2	Confident	64 Å²	64	47.8 Å²	47.8	34%	0.342	26%	0.264	S	S	.	.	S	Bend	trans	-90.4	113.8	177	-173.8	-22.6	0	0	0	109.9	E282 N286 L287	E282-N284 VanDerWaalsContact C-N 3.28Å; N284-N286 PolarHBondContact O-N 3.43Å; N284-N286 WeakPolarHBondContact OD1-CB 3.31Å; N284-N286 PolarHBondContact OD1-N 2.85Å; N284-L287 HydrophobicContact CB-CB 4.44Å; N284-L287 HydrophobicContact CB-CD1 4.22Å; N284-L287 HydrophobicContact CB-CG 4.43Å; N284-L287 PolarHBondContact O-N 3.24Å
285	E	75.3	Confident	88.4	Confident	163 Å²	163	47.8 Å²	47.8	76%	0.762	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.2	-178.9	-62.1	-174.9	173.2	0	0	114.5	R197 L287	R197-E285 PolarHBondContact NH1-O 3.01Å; E285-L287 VanDerWaalsContact C-N 3.33Å
286	N	83.6	Confident	88.6	Confident	85 Å²	85	47.8 Å²	47.8	46%	0.455	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.8	175.8	-64.4	-49.3	0	0	0	113.6	F196 R197 N284	F196-N286 HydrophobicContact CD1-CB 4.12Å; R197-N286 VanDerWaalsContact CB-O 3.27Å; R197-N286 WeakPolarHBondContact CB-O 3.42Å; R197-N286 PolarHBondContact N-O 3.06Å; N284-N286 PolarHBondContact O-N 3.43Å; N284-N286 WeakPolarHBondContact OD1-CB 3.31Å; N284-N286 PolarHBondContact OD1-N 2.85Å
287	L	88.1	Confident	88.8	Confident	10 Å²	10	43.4 Å²	43.4	5%	0.052	24%	0.24	C	C	.	.			trans	-116.4	163.6	178.5	-67.1	174.6	0	0	0	110.5	R155 Q194 F196 E282 N284 E285	R155-L287 HydrophobicContact CB-CD1 4.22Å; R155-L287 HydrophobicContact CB-CD2 4.27Å; Q194-L287 HydrophobicContact CB-CD2 4.07Å; F196-L287 HydrophobicContact CD1-CD2 3.56Å; F196-L287 HydrophobicContact CD1-CG 3.99Å; F196-L287 HydrophobicContact CE1-CD1 4.03Å; F196-L287 HydrophobicContact CE1-CD2 3.6Å; F196-L287 HydrophobicContact CE1-CG 3.83Å; F196-L287 HydrophobicContact CG-CD2 4.3Å; F196-L287 HydrophobicContact CZ-CD2 4.34Å; E282-L287 HydrophobicContact CB-CB 4.31Å; E282-L287 HydrophobicContact CG-CB 3.99Å; N284-L287 HydrophobicContact CB-CB 4.44Å; N284-L287 HydrophobicContact CB-CD1 4.22Å; N284-L287 HydrophobicContact CB-CG 4.43Å; N284-L287 PolarHBondContact O-N 3.24Å; E285-L287 VanDerWaalsContact C-N 3.33Å
288	T	86.5	Confident	89.1	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.025	23%	0.233	C	C	.	.			trans	-132.2	140.4	-177.3	45.2	0	0	0	0	110.3	Q194 P250 S251 N253 E282 R321	Q194-T288 PolarHBondContact NE2-O 2.97Å; P250-T288 HydrophobicContact CB-CG2 3.82Å; S251-T288 WeakPolarHBondContact CB-OG1 3.42Å; S251-T288 WeakPolarHBondContact O-CB 3.27Å; S251-T288 PolarHBondContact O-OG1 2.86Å; S251-T288 WeakPolarHBondContact OG-CB 3.47Å; S251-T288 WeakPolarHBondContact OG-CG2 3.42Å; S251-T288 PolarHBondContact OG-OG1 3.04Å; N253-T288 PolarHBondContact ND2-O 3.48Å; N253-T288 PolarHBondContact OD1-OG1 3.27Å; E282-T288 VanDerWaalsContact CG-C 3.48Å; T288-R321 VanDerWaalsContact CA-NH2 3.29Å
289	S	87.6	Confident	89.3	Confident	18 Å²	18	44.3 Å²	44.3	13%	0.126	25%	0.246	C	C	.	.			trans	-79	163.1	165.6	-40.4	0	0	0	0	111.9	A280 E281 E282 R321	A280-S289 WeakPolarHBondContact O-CB 3.34Å; A280-S289 PolarHBondContact O-OG 3.47Å; E281-S289 WeakPolarHBondContact CA-OG 3.24Å; E282-S289 PolarHBondContact N-OG 2.9Å; S289-R321 PolarHBondContact O-NE 3.25Å; S289-R321 PolarHBondContact O-NH2 3.14Å
290	G	89.9	Confident	89.5	Confident	6 Å²	6	44 Å²	44	6%	0.062	25%	0.252	C	S	.	.	S	Bend	trans	90.7	174.7	179.6	0	0	0	0	0	114	Y192 N253 I278 A319	Y192-G290 PolarHBondContact OH-O 2.93Å; N253-G290 WeakPolarHBondContact CB-O 3.39Å; N253-G290 PolarHBondContact ND2-O 2.78Å; I278-G290 WeakPolarHBondContact O-CA 3.3Å; I278-G290 PolarHBondContact O-N 2.78Å; G290-A319 WeakPolarHBondContact CA-O 3.5Å
291	V	92.6	Very high	89.9	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.03	25%	0.252	C	S	.	.			trans	-126.6	140.6	178	-172	0	0	0	0	108.7	Y192 L255 I278 L293 V294 A319 L332	Y192-V291 HydrophobicContact CD2-CG2 4.49Å; Y192-V291 HydrophobicContact CE2-CG2 3.95Å; L255-V291 HydrophobicContact CB-CG1 3.83Å; I278-V291 HydrophobicContact CB-CG2 4.06Å; I278-V291 HydrophobicContact CD1-CG2 4.13Å; I278-V291 HydrophobicContact CG2-CG2 3.86Å; V291-L293 WeakPolarHBondContact CG1-O 3.25Å; V291-V294 HydrophobicContact CG1-CG2 3.87Å; V291-A319 HydrophobicContact CB-CB 3.86Å; V291-A319 HydrophobicContact CG2-CB 4.25Å; V291-A319 PolarHBondContact N-O 2.99Å; V291-A319 VanDerWaalsContact N-O 3.13Å; V291-L332 HydrophobicContact CB-CD1 3.9Å; V291-L332 HydrophobicContact CG1-CD1 3.83Å; V291-L332 VanDerWaalsContact O-CD1 3.3Å; V291-L332 WeakPolarHBondContact O-CD1 3.18Å
292	S	91.7	Very high	90.6	Very high	28 Å²	28	35.5 Å²	35.5	20%	0.196	22%	0.215	C	C	.	.	S	Bend	trans	-114.5	-27.2	178.9	-51.3	0	0	0	0	112.9	K252 N253 K333	K252-S292 WeakPolarHBondContact CA-OG 3.45Å; K252-S292 WeakPolarHBondContact CB-OG 3.32Å; N253-S292 PolarHBondContact O-N 3.25Å; S292-K333 PolarHBondContact O-N 3.33Å
293	L	95.6	Very high	91.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.8	175.2	175.5	71.3	0	0	0	110	L37 N253 M254 L255 V291 V295 K333 L335 F403 F411	L37-L293 HydrophobicContact CD1-CD2 3.99Å; L37-L293 HydrophobicContact CD2-CD2 3.63Å; L37-L293 HydrophobicContact CG-CD2 4.39Å; N253-L293 PolarHBondContact O-N 3.36Å; N253-L293 VanDerWaalsContact O-N 3.16Å; M254-L293 CarbonylContact C-O 3.44Å; M254-L293 WeakPolarHBondContact CA-O 3.48Å; L255-L293 PolarHBondContact N-O 2.78Å; V291-L293 WeakPolarHBondContact CG1-O 3.25Å; L293-V295 HydrophobicContact CD2-CG2 4.13Å; L293-V295 HydrophobicContact CG-CG2 4.31Å; L293-K333 CarbonylContact C-O 3.53Å; L293-K333 WeakPolarHBondContact CA-O 3.36Å; L293-K333 HydrophobicContact CD1-CB 3.99Å; L293-L335 HydrophobicContact CD1-CB 4.26Å; L293-F403 HydrophobicContact CB-CE1 4.07Å; L293-F403 HydrophobicContact CB-CZ 4.25Å; L293-F403 HydrophobicContact CD1-CD1 4.44Å; L293-F403 HydrophobicContact CD1-CD2 4.07Å; L293-F403 HydrophobicContact CD1-CE1 4.43Å; L293-F403 HydrophobicContact CD1-CE2 4.07Å; L293-F403 HydrophobicContact CD1-CG 4.22Å; L293-F403 HydrophobicContact CD1-CZ 4.23Å; L293-F403 HydrophobicContact CD2-CB 4.23Å; L293-F403 HydrophobicContact CD2-CD1 3.61Å; L293-F403 HydrophobicContact CD2-CE1 3.98Å; L293-F403 HydrophobicContact CD2-CG 3.88Å; L293-F403 HydrophobicContact CG-CD1 4.42Å; L293-F403 HydrophobicContact CG-CE1 4.38Å; L293-F411 HydrophobicContact CD1-CZ 4.37Å
294	V	98.3	Very high	92.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.6	169.9	-171.5	0	0	0	0	108.7	L255 I257 V291 H296 L315 L332 K333 H334 L335	L255-V294 HydrophobicContact CB-CG1 4.34Å; L255-V294 HydrophobicContact CB-CG2 4.25Å; L255-V294 HydrophobicContact CD2-CG1 4.23Å; L255-V294 HydrophobicContact CD2-CG2 4.32Å; L255-V294 HydrophobicContact CG-CG1 4.38Å; L255-V294 CarbonylContact O-C 3.37Å; L255-V294 WeakPolarHBondContact O-CA 3.11Å; I257-V294 HydrophobicContact CD1-CG1 3.59Å; I257-V294 HydrophobicContact CG1-CG1 3.93Å; V291-V294 HydrophobicContact CG1-CG2 3.87Å; V294-H296 WeakPolarHBondContact CB-NE2 3.3Å; V294-H296 WeakPolarHBondContact CG1-CE1 3.08Å; V294-H296 WeakPolarHBondContact CG1-NE2 3.36Å; V294-L315 HydrophobicContact CB-CD2 4.33Å; V294-L315 HydrophobicContact CG1-CD2 4Å; V294-L315 HydrophobicContact CG2-CD2 3.62Å; V294-L315 HydrophobicContact CG2-CG 4.43Å; V294-L332 HydrophobicContact CG2-CD1 3.79Å; V294-L332 HydrophobicContact CG2-CD2 4.05Å; V294-L332 HydrophobicContact CG2-CG 4.15Å; V294-K333 PolarHBondContact N-O 2.91Å; V294-H334 CarbonylContact O-C 3.55Å; V294-H334 WeakPolarHBondContact O-CA 3.42Å; V294-L335 PolarHBondContact O-N 2.73Å
295	V	98.7	Very high	93.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.2	174	-179.6	0	0	0	0	107.7	L37 M51 L255 F256 I257 L293 F297 L335 L337	L37-V295 HydrophobicContact CD2-CG2 4.33Å; M51-V295 HydrophobicContact CG-CG1 3.91Å; L255-V295 PolarHBondContact O-N 3.42Å; F256-V295 HydrophobicContact CD1-CB 3.57Å; F256-V295 HydrophobicContact CD1-CG1 3.79Å; F256-V295 HydrophobicContact CD1-CG2 3.95Å; F256-V295 HydrophobicContact CE1-CB 3.84Å; F256-V295 HydrophobicContact CE1-CG1 3.99Å; F256-V295 HydrophobicContact CE1-CG2 3.68Å; F256-V295 HydrophobicContact CG-CB 4.28Å; F256-V295 HydrophobicContact CZ-CG2 4.22Å; I257-V295 PolarHBondContact N-O 3.25Å; L293-V295 HydrophobicContact CD2-CG2 4.13Å; L293-V295 HydrophobicContact CG-CG2 4.31Å; V295-F297 HydrophobicContact CG1-CE1 4.29Å; V295-F297 HydrophobicContact CG1-CE2 4.3Å; V295-F297 HydrophobicContact CG1-CZ 4.05Å; V295-L335 CarbonylContact C-O 3.59Å; V295-L335 WeakPolarHBondContact CA-O 3.41Å; V295-L335 HydrophobicContact CG2-CB 4.47Å; V295-L335 HydrophobicContact CG2-CD2 4.39Å; V295-L337 HydrophobicContact CG1-CD1 3.42Å; V295-L337 VanDerWaalsContact CG1-CD1 3.42Å
296	H	98.5	Very high	94.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.8	-177.9	-60	-94.2	0	0	0	109.8	V294 T298 F303 Y308 H334 L335 L337	V294-H296 WeakPolarHBondContact CB-NE2 3.3Å; V294-H296 WeakPolarHBondContact CG1-CE1 3.08Å; V294-H296 WeakPolarHBondContact CG1-NE2 3.36Å; H296-T298 HydrophobicContact CB-CG2 4.21Å; H296-F303 HydrophobicContact CB-CD2 4.31Å; H296-F303 AromaticContact CD2-CE2 3.76Å; H296-F303 AromaticContact CE1-CE2 3.93Å; H296-F303 AromaticContact CG-CD2 3.99Å; H296-F303 AromaticContact CG-CE2 3.98Å; H296-F303 AromaticContact NE2-CE2 3.72Å; H296-Y308 AromaticContact ND1-CE1 3.55Å; H296-Y308 AromaticContact ND1-CZ 3.64Å; H296-Y308 PolarHBondContact ND1-OH 3.18Å; H296-H334 AromaticContact CD2-ND1 3.89Å; H296-H334 AromaticContact CE1-ND1 3.78Å; H296-H334 AromaticContact NE2-CE1 3.9Å; H296-H334 AromaticContact NE2-CG 3.79Å; H296-H334 AromaticContact NE2-ND1 2.89Å; H296-H334 PolarHBondContact NE2-ND1 3.42Å; H296-L335 PolarHBondContact N-O 3.01Å; H296-L337 PolarHBondContact O-N 3.47Å
297	F	97.9	Very high	94.8	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.9	164.4	-49.4	-77.6	0	0	0	107.9	K49 M51 V62 T88 F256 I257 D258 C259 V295 L337	K49-F297 HydrophobicContact CB-CD1 3.79Å; K49-F297 HydrophobicContact CB-CE1 4.34Å; K49-F297 HydrophobicContact CD-CB 4.36Å; M51-F297 HydrophobicContact CG-CE1 4.15Å; M51-F297 HydrophobicContact CG-CZ 4.14Å; V62-F297 HydrophobicContact CB-CZ 4.44Å; V62-F297 HydrophobicContact CG1-CE2 3.95Å; V62-F297 HydrophobicContact CG1-CZ 3.88Å; T88-F297 HydrophobicContact CG2-CD2 4.22Å; T88-F297 HydrophobicContact CG2-CE2 4Å; F256-F297 HydrophobicContact CB-CE2 4.23Å; F256-F297 AromaticContact CD1-CE2 3.89Å; F256-F297 HydrophobicContact CD1-CE2 3.89Å; F256-F297 AromaticContact CD1-CZ 3.99Å; F256-F297 HydrophobicContact CD1-CZ 3.99Å; I257-F297 WeakPolarHBondContact O-CD2 3.24Å; I257-F297 PolarHBondContact O-N 3.46Å; D258-F297 CarbonylContact C-O 3.52Å; D258-F297 WeakPolarHBondContact CA-O 3.16Å; D258-F297 HydrophobicContact CB-CB 4.06Å; D258-F297 HydrophobicContact CB-CD2 4.04Å; C259-F297 PolarHBondContact N-O 3.26Å; V295-F297 HydrophobicContact CG1-CE1 4.29Å; V295-F297 HydrophobicContact CG1-CE2 4.3Å; V295-F297 HydrophobicContact CG1-CZ 4.05Å; F297-L337 HydrophobicContact CD1-CB 3.96Å; F297-L337 HydrophobicContact CD1-CD1 4.4Å; F297-L337 HydrophobicContact CD1-CD2 3.99Å; F297-L337 HydrophobicContact CD1-CG 4.34Å; F297-L337 HydrophobicContact CE1-CD1 4.4Å; F297-L337 HydrophobicContact CE1-CD2 3.79Å; F297-L337 HydrophobicContact CE1-CG 4.49Å
298	T	97.3	Very high	95.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	19%	0.185	C	C	.	.			trans	-139.4	159.8	-176.8	61.1	0	0	0	0	111.2	K49 C259 H296 M302 Y308 L337 D338	K49-T298 WeakPolarHBondContact CE-O 3.39Å; C259-T298 HydrophobicContact CB-CG2 4.27Å; H296-T298 HydrophobicContact CB-CG2 4.21Å; T298-M302 HydrophobicContact CG2-SD 4.28Å; T298-Y308 HydrophobicContact CG2-CE1 4.47Å; T298-Y308 HydrophobicContact CG2-CE2 4.11Å; T298-L337 PolarHBondContact N-O 3.42Å; T298-L337 VanDerWaalsContact N-O 3.16Å; T298-D338 WeakPolarHBondContact O-CA 3.4Å
299	P	95.2	Very high	95.9	Very high	42 Å²	42	35.4 Å²	35.4	27%	0.273	20%	0.2	S	C	.	.			trans	-60.6	159	161.4	-26.6	34.6	0	0	0	112.8	C259 P260 G301 M302	C259-P299 WeakPolarHBondContact O-CD 3.46Å; P260-P299 WeakPolarHBondContact O-CG 3.38Å; P299-G301 PolarHBondContact O-N 2.88Å; P299-M302 HydrophobicContact CB-CE 4.18Å; P299-M302 HydrophobicContact CG-CE 3.52Å; P299-M302 WeakPolarHBondContact O-CB 3.47Å; P299-M302 PolarHBondContact O-N 3.39Å
300	P	94.9	Very high	96.4	Very high	89 Å²	89	41.3 Å²	41.3	58%	0.578	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	131.7	173.7	-28.5	35.3	0	0	0	112.7	M302 D338 T340	P300-M302 PolarHBondContact O-N 2.8Å; P300-M302 VanDerWaalsContact O-N 3.09Å; P300-D338 WeakPolarHBondContact CD-O 3.44Å; P300-D338 WeakPolarHBondContact CG-O 3.43Å; P300-T340 HydrophobicContact CB-CG2 3.8Å; P300-T340 HydrophobicContact CG-CG2 4.31Å
301	G	94.8	Very high	96.7	Very high	42 Å²	42	41 Å²	41	43%	0.433	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-13.4	175.4	0	0	0	0	0	116.1	P299 F303 Y304 S305	P299-G301 PolarHBondContact O-N 2.88Å; G301-F303 PolarHBondContact O-N 2.56Å; G301-Y304 PolarHBondContact O-N 2.81Å; G301-S305 PolarHBondContact O-N 2.66Å
302	M	97.4	Very high	97	Very high	21 Å²	21	41 Å²	41	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-41.2	-177.5	-180	-174	-67.6	0	0	112.5	C259 T298 P299 P300 Y304 S305 Y308	C259-M302 HydrophobicContact CB-SD 4.03Å; T298-M302 HydrophobicContact CG2-SD 4.28Å; P299-M302 HydrophobicContact CB-CE 4.18Å; P299-M302 HydrophobicContact CG-CE 3.52Å; P299-M302 WeakPolarHBondContact O-CB 3.47Å; P299-M302 PolarHBondContact O-N 3.39Å; P300-M302 PolarHBondContact O-N 2.8Å; P300-M302 VanDerWaalsContact O-N 3.09Å; M302-Y304 PolarHBondContact O-N 3.41Å; M302-S305 VanDerWaalsContact O-CB 3.24Å; M302-S305 WeakPolarHBondContact O-CB 3.29Å; M302-S305 PolarHBondContact O-N 2.91Å; M302-S305 PolarHBondContact O-OG 3.47Å; M302-Y308 HydrophobicContact CG-CD2 4.1Å; M302-Y308 HydrophobicContact CG-CG 4.43Å; M302-Y308 WeakPolarHBondContact O-CB 3.44Å; M302-Y308 HydrophobicContact SD-CD2 4.16Å; M302-Y308 HydrophobicContact SD-CE2 4.45Å
303	F	97.9	Very high	97.1	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-41.5	179.4	179.7	-93.2	0	0	0	111.3	H296 G301 S305 Y308 Q309 V312 H334 V336 V394	H296-F303 HydrophobicContact CB-CD2 4.31Å; H296-F303 AromaticContact CD2-CE2 3.76Å; H296-F303 AromaticContact CE1-CE2 3.93Å; H296-F303 AromaticContact CG-CD2 3.99Å; H296-F303 AromaticContact CG-CE2 3.98Å; H296-F303 AromaticContact NE2-CE2 3.72Å; G301-F303 PolarHBondContact O-N 2.56Å; F303-S305 VanDerWaalsContact C-N 3.32Å; F303-S305 PolarHBondContact O-N 3.21Å; F303-Y308 AromaticContact CD2-CD1 3.98Å; F303-Y308 HydrophobicContact CD2-CD1 3.98Å; F303-Y308 AromaticContact CD2-CE1 3.69Å; F303-Y308 HydrophobicContact CD2-CE1 3.69Å; F303-Y308 HydrophobicContact CE2-CE1 4.25Å; F303-Y308 HydrophobicContact CG-CD1 4.47Å; F303-Q309 PolarHBondContact O-NE2 2.7Å; F303-V312 HydrophobicContact CE2-CG2 3.91Å; F303-V312 HydrophobicContact CZ-CG2 4.3Å; F303-H334 HydrophobicContact CE2-CB 4.34Å; F303-H334 HydrophobicContact CZ-CB 4.11Å; F303-V336 HydrophobicContact CB-CG1 3.86Å; F303-V336 HydrophobicContact CB-CG2 4.41Å; F303-V336 HydrophobicContact CD1-CG2 3.91Å; F303-V336 HydrophobicContact CD2-CG1 4.37Å; F303-V336 HydrophobicContact CD2-CG2 3.6Å; F303-V336 HydrophobicContact CE1-CG2 4.05Å; F303-V336 HydrophobicContact CE2-CG2 3.74Å; F303-V336 HydrophobicContact CG-CG1 4.07Å; F303-V336 HydrophobicContact CG-CG2 3.69Å; F303-V336 HydrophobicContact CZ-CG2 3.97Å; F303-V394 HydrophobicContact CD1-CG1 4.49Å; F303-V394 HydrophobicContact CE1-CG1 3.66Å; F303-V394 HydrophobicContact CE1-CG2 4.26Å; F303-V394 HydrophobicContact CZ-CG1 3.95Å; F303-V394 HydrophobicContact CZ-CG2 4.21Å
304	Y	97.3	Very high	97.1	Very high	127 Å²	127	46.9 Å²	46.9	50%	0.498	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.6	-178.9	-57.3	-73.1	0	0	0	114.3	G301 M302	G301-Y304 PolarHBondContact O-N 2.81Å; M302-Y304 PolarHBondContact O-N 3.41Å
305	S	97.9	Very high	96.9	Very high	40 Å²	40	46.9 Å²	46.9	28%	0.28	24%	0.244	S	C	.	.	S	Bend	trans	-68.9	145.6	177.1	73.1	0	0	0	0	111.4	G301 M302 F303 Q307 Y308 Q309	G301-S305 PolarHBondContact O-N 2.66Å; M302-S305 VanDerWaalsContact O-CB 3.24Å; M302-S305 WeakPolarHBondContact O-CB 3.29Å; M302-S305 PolarHBondContact O-N 2.91Å; M302-S305 PolarHBondContact O-OG 3.47Å; F303-S305 VanDerWaalsContact C-N 3.32Å; F303-S305 PolarHBondContact O-N 3.21Å; S305-Q307 PolarHBondContact O-N 2.85Å; S305-Q307 VanDerWaalsContact O-N 3.11Å; S305-Y308 PolarHBondContact O-N 2.87Å; S305-Y308 VanDerWaalsContact O-N 3.09Å; S305-Y308 WeakPolarHBondContact OG-CB 3.28Å; S305-Y308 PolarHBondContact OG-N 3.09Å; S305-Q309 WeakPolarHBondContact O-CB 3.42Å; S305-Q309 WeakPolarHBondContact O-CG 3.39Å; S305-Q309 PolarHBondContact O-N 3.09Å
306	N	97.9	Very high	96.6	Very high	141 Å²	141	50.7 Å²	50.7	75%	0.754	26%	0.261	S	S	*	.	H	α-helix	trans	-55	-34.3	179.7	-69.5	-15.8	0	0	0	113.4	K310	N306-K310 WeakPolarHBondContact O-CG 3.19Å; N306-K310 PolarHBondContact O-N 2.93Å
307	Q	95.8	Very high	96.2	Very high	107 Å²	107	56.7 Å²	56.7	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-70.8	-45.6	178.9	-64.3	-176.2	14.2	0	0	111.1	I265 S305 K310	I265-Q307 HydrophobicContact CD1-CB 3.86Å; I265-Q307 HydrophobicContact CG2-CB 4.15Å; I265-Q307 WeakPolarHBondContact CG2-O 3.39Å; S305-Q307 PolarHBondContact O-N 2.85Å; S305-Q307 VanDerWaalsContact O-N 3.11Å; Q307-K310 PolarHBondContact O-N 2.89Å
308	Y	98.4	Very high	95.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.9	-35.1	179.8	-158.6	-89.9	0	0	0	111.7	C259 I265 H296 T298 M302 F303 S305 K310 F311 V312	C259-Y308 HydrophobicContact CB-CD2 4.49Å; C259-Y308 HydrophobicContact CB-CE2 3.63Å; I265-Y308 HydrophobicContact CD1-CD2 4.02Å; I265-Y308 HydrophobicContact CG1-CD2 4.01Å; H296-Y308 AromaticContact ND1-CE1 3.55Å; H296-Y308 AromaticContact ND1-CZ 3.64Å; H296-Y308 PolarHBondContact ND1-OH 3.18Å; T298-Y308 HydrophobicContact CG2-CE1 4.47Å; T298-Y308 HydrophobicContact CG2-CE2 4.11Å; M302-Y308 HydrophobicContact CG-CD2 4.1Å; M302-Y308 HydrophobicContact CG-CG 4.43Å; M302-Y308 WeakPolarHBondContact O-CB 3.44Å; M302-Y308 HydrophobicContact SD-CD2 4.16Å; M302-Y308 HydrophobicContact SD-CE2 4.45Å; F303-Y308 AromaticContact CD2-CD1 3.98Å; F303-Y308 HydrophobicContact CD2-CD1 3.98Å; F303-Y308 AromaticContact CD2-CE1 3.69Å; F303-Y308 HydrophobicContact CD2-CE1 3.69Å; F303-Y308 HydrophobicContact CE2-CE1 4.25Å; F303-Y308 HydrophobicContact CG-CD1 4.47Å; S305-Y308 PolarHBondContact O-N 2.87Å; S305-Y308 VanDerWaalsContact O-N 3.09Å; S305-Y308 WeakPolarHBondContact OG-CB 3.28Å; S305-Y308 PolarHBondContact OG-N 3.09Å; Y308-K310 VanDerWaalsContact C-N 3.29Å; Y308-K310 PolarHBondContact O-N 3.47Å; Y308-F311 HydrophobicContact CE1-CD1 4.32Å; Y308-F311 HydrophobicContact CE2-CD1 4.28Å; Y308-F311 WeakPolarHBondContact O-CA 3.37Å; Y308-F311 VanDerWaalsContact O-CB 3.29Å; Y308-F311 WeakPolarHBondContact O-CB 3.2Å; Y308-F311 PolarHBondContact O-N 3.33Å; Y308-V312 HydrophobicContact CD1-CG2 3.78Å; Y308-V312 HydrophobicContact CE1-CG2 3.84Å; Y308-V312 WeakPolarHBondContact O-CG2 3.28Å; Y308-V312 PolarHBondContact O-N 3.17Å
309	Q	98.4	Very high	95.2	Very high	72 Å²	72	57.3 Å²	57.3	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-32.3	175.7	-72.7	-66	-50.9	0	0	112.9	F303 S305 F311 V312 Q313	F303-Q309 PolarHBondContact O-NE2 2.7Å; S305-Q309 WeakPolarHBondContact O-CB 3.42Å; S305-Q309 WeakPolarHBondContact O-CG 3.39Å; S305-Q309 PolarHBondContact O-N 3.09Å; Q309-F311 VanDerWaalsContact C-N 3.31Å; Q309-F311 PolarHBondContact O-N 3.11Å; Q309-V312 PolarHBondContact O-N 3.4Å; Q309-Q313 WeakPolarHBondContact O-CB 3.46Å; Q309-Q313 PolarHBondContact O-N 3.28Å
310	K	97.7	Very high	94.3	Very high	141 Å²	141	58.8 Å²	58.8	61%	0.613	30%	0.3	S	S	*	.	H	α-helix	trans	-63.2	-37.8	170.4	-71.1	174.3	-178.7	-175.1	0	112.5	I269 N306 Q307 Y308 K314	I269-K310 HydrophobicContact CD1-CB 4.36Å; N306-K310 WeakPolarHBondContact O-CG 3.19Å; N306-K310 PolarHBondContact O-N 2.93Å; Q307-K310 PolarHBondContact O-N 2.89Å; Y308-K310 VanDerWaalsContact C-N 3.29Å; Y308-K310 PolarHBondContact O-N 3.47Å; K310-K314 PolarHBondContact O-N 3.32Å; K310-K314 VanDerWaalsContact O-N 3.11Å
311	F	97.5	Very high	92.8	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-66.4	-44.5	173.9	171.2	-113.4	0	0	0	111.4	I257 I265 F268 I269 F275 Y308 Q309 Q313 K314 L315	I257-F311 HydrophobicContact CD1-CE1 3.59Å; I257-F311 HydrophobicContact CD1-CZ 3.68Å; I257-F311 HydrophobicContact CG2-CE1 4.37Å; I265-F311 HydrophobicContact CG2-CB 4.48Å; F268-F311 HydrophobicContact CB-CD2 3.83Å; F268-F311 HydrophobicContact CB-CE1 4.46Å; F268-F311 HydrophobicContact CB-CE2 3.69Å; F268-F311 HydrophobicContact CB-CG 4.29Å; F268-F311 HydrophobicContact CB-CZ 4.02Å; F268-F311 HydrophobicContact CD1-CZ 4.42Å; F268-F311 HydrophobicContact CG-CZ 4.47Å; I269-F311 HydrophobicContact CD1-CB 4.05Å; I269-F311 HydrophobicContact CG1-CB 3.62Å; I269-F311 HydrophobicContact CG1-CD2 3.89Å; I269-F311 HydrophobicContact CG1-CG 4.2Å; F275-F311 HydrophobicContact CE2-CE2 4.49Å; F275-F311 HydrophobicContact CZ-CD2 4.17Å; F275-F311 AromaticContact CZ-CE2 3.76Å; F275-F311 HydrophobicContact CZ-CE2 3.76Å; Y308-F311 HydrophobicContact CE1-CD1 4.32Å; Y308-F311 HydrophobicContact CE2-CD1 4.28Å; Y308-F311 WeakPolarHBondContact O-CA 3.37Å; Y308-F311 VanDerWaalsContact O-CB 3.29Å; Y308-F311 WeakPolarHBondContact O-CB 3.2Å; Y308-F311 PolarHBondContact O-N 3.33Å; Q309-F311 VanDerWaalsContact C-N 3.31Å; Q309-F311 PolarHBondContact O-N 3.11Å; F311-Q313 VanDerWaalsContact C-N 3.33Å; F311-Q313 PolarHBondContact O-N 3.19Å; F311-K314 PolarHBondContact O-N 2.77Å; F311-L315 WeakPolarHBondContact O-CB 3.33Å; F311-L315 PolarHBondContact O-N 3.16Å
312	V	97.4	Very high	91.1	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-44.1	175.2	174.1	0	0	0	0	111	F303 Y308 Q309 L315 E316	F303-V312 HydrophobicContact CE2-CG2 3.91Å; F303-V312 HydrophobicContact CZ-CG2 4.3Å; Y308-V312 HydrophobicContact CD1-CG2 3.78Å; Y308-V312 HydrophobicContact CE1-CG2 3.84Å; Y308-V312 WeakPolarHBondContact O-CG2 3.28Å; Y308-V312 PolarHBondContact O-N 3.17Å; Q309-V312 PolarHBondContact O-N 3.4Å; V312-L315 WeakPolarHBondContact O-CA 3.34Å; V312-L315 WeakPolarHBondContact O-CB 3.15Å; V312-L315 PolarHBondContact O-N 3.39Å; V312-L315 VanDerWaalsContact O-N 3.15Å; V312-E316 HydrophobicContact CG1-CG 4.45Å; V312-E316 WeakPolarHBondContact O-CG 3.5Å; V312-E316 PolarHBondContact O-N 3.3Å
313	Q	95.1	Very high	89.1	Confident	106 Å²	106	68.6 Å²	68.6	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-49.2	176.9	-173.6	-171.4	-13.3	0	0	112	Q309 F311 L315 E316 E317	Q309-Q313 WeakPolarHBondContact O-CB 3.46Å; Q309-Q313 PolarHBondContact O-N 3.28Å; F311-Q313 VanDerWaalsContact C-N 3.33Å; F311-Q313 PolarHBondContact O-N 3.19Å; Q313-L315 PolarHBondContact O-N 3.1Å; Q313-E316 PolarHBondContact O-N 2.99Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.45Å; Q313-E317 PolarHBondContact NE2-OE1 3.38Å; Q313-E317 WeakPolarHBondContact O-CG 3.36Å; Q313-E317 PolarHBondContact O-N 3.34Å
314	K	94.8	Very high	87.2	Confident	46 Å²	46	70.8 Å²	70.8	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-58.8	-39	175.3	-175.3	176.1	177.5	177.7	0	111	I269 E272 F275 K310 F311 E317 C318	I269-K314 HydrophobicContact CG2-CD 4.15Å; I269-K314 PolarHBondContact O-NZ 3.2Å; E272-K314 IonicContact OE1-NZ 3.82Å; E272-K314 PolarHBondContact OE1-NZ 3.44Å; F275-K314 HydrophobicContact CD1-CG 4.41Å; F275-K314 HydrophobicContact CD2-CD 4.22Å; F275-K314 VanDerWaalsContact CD2-CE 3.46Å; F275-K314 HydrophobicContact CE1-CB 4.48Å; F275-K314 HydrophobicContact CE1-CD 4.16Å; F275-K314 HydrophobicContact CE1-CG 3.82Å; F275-K314 HydrophobicContact CE2-CD 3.67Å; F275-K314 VanDerWaalsContact CE2-CE 3.44Å; F275-K314 HydrophobicContact CE2-CG 4.27Å; F275-K314 HydrophobicContact CZ-CB 4.32Å; F275-K314 HydrophobicContact CZ-CD 3.62Å; F275-K314 HydrophobicContact CZ-CG 3.73Å; K310-K314 PolarHBondContact O-N 3.32Å; K310-K314 VanDerWaalsContact O-N 3.11Å; F311-K314 PolarHBondContact O-N 2.77Å; K314-E317 PolarHBondContact O-N 2.99Å; K314-C318 WeakPolarHBondContact O-CB 3.42Å; K314-C318 PolarHBondContact O-N 3.11Å; K314-C318 PolarHBondContact O-SG 2.85Å; K314-C318 VanDerWaalsContact O-SG 3.38Å
315	L	95	Very high	85.2	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-44.6	177.2	-175.6	64.6	0	0	0	112.2	L255 I257 F274 F275 I278 V294 F311 V312 Q313 C318 A319 L332	L255-L315 HydrophobicContact CD2-CD1 3.93Å; L255-L315 HydrophobicContact CD2-CD2 4.36Å; I257-L315 HydrophobicContact CD1-CD2 4.13Å; F274-L315 HydrophobicContact CE1-CD1 3.95Å; F274-L315 HydrophobicContact CZ-CD1 3.68Å; F275-L315 HydrophobicContact CE1-CD1 4.35Å; I278-L315 HydrophobicContact CD1-CD1 4.02Å; V294-L315 HydrophobicContact CB-CD2 4.33Å; V294-L315 HydrophobicContact CG1-CD2 4Å; V294-L315 HydrophobicContact CG2-CD2 3.62Å; V294-L315 HydrophobicContact CG2-CG 4.43Å; F311-L315 WeakPolarHBondContact O-CB 3.33Å; F311-L315 PolarHBondContact O-N 3.16Å; V312-L315 WeakPolarHBondContact O-CA 3.34Å; V312-L315 WeakPolarHBondContact O-CB 3.15Å; V312-L315 PolarHBondContact O-N 3.39Å; V312-L315 VanDerWaalsContact O-N 3.15Å; Q313-L315 PolarHBondContact O-N 3.1Å; L315-C318 PolarHBondContact O-N 3.22Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 2.93Å; L315-L332 HydrophobicContact CD2-CD2 4.35Å; L315-L332 HydrophobicContact CG-CD2 4.04Å
316	E	92.3	Very high	83.1	Confident	79 Å²	79	76.3 Å²	76.3	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-42.5	175.8	-73	176.6	164.6	0	0	111.9	V312 Q313 C318 A319 L332 H334	V312-E316 HydrophobicContact CG1-CG 4.45Å; V312-E316 WeakPolarHBondContact O-CG 3.5Å; V312-E316 PolarHBondContact O-N 3.3Å; Q313-E316 PolarHBondContact O-N 2.99Å; E316-C318 VanDerWaalsContact C-N 3.32Å; E316-C318 PolarHBondContact O-N 3.23Å; E316-A319 PolarHBondContact O-N 3.46Å; E316-L332 HydrophobicContact CG-CD2 3.87Å; E316-H334 IonicContact OE1-NE2 3.32Å; E316-H334 PolarHBondContact OE1-NE2 3.15Å
317	E	89.4	Confident	81.2	Confident	126 Å²	126	73.1 Å²	73.1	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-61.9	-37.7	176.3	-71.4	171	-169.9	0	0	112.3	Q313 K314	Q313-E317 WeakPolarHBondContact CG-OE1 3.45Å; Q313-E317 PolarHBondContact NE2-OE1 3.38Å; Q313-E317 WeakPolarHBondContact O-CG 3.36Å; Q313-E317 PolarHBondContact O-N 3.34Å; K314-E317 PolarHBondContact O-N 2.99Å
318	C	89.1	Confident	79.2	Confident	15 Å²	15	72.9 Å²	72.9	10%	0.101	37%	0.365	C	S	.	.	H	α-helix	trans	-87.2	-26.4	-179.8	-70	0	0	0	0	114.2	F275 I278 Q279 K314 L315 E316	F275-C318 HydrophobicContact CD1-CB 3.68Å; F275-C318 VanDerWaalsContact CD1-SG 3.58Å; F275-C318 HydrophobicContact CE1-CB 4.3Å; I278-C318 HydrophobicContact CD1-CB 3.95Å; I278-C318 HydrophobicContact CG1-CB 4.48Å; Q279-C318 HydrophobicContact CG-CB 3.92Å; Q279-C318 VanDerWaalsContact CG-O 3.22Å; Q279-C318 WeakPolarHBondContact CG-O 3.45Å; Q279-C318 PolarHBondContact NE2-SG 3.12Å; K314-C318 WeakPolarHBondContact O-CB 3.42Å; K314-C318 PolarHBondContact O-N 3.11Å; K314-C318 PolarHBondContact O-SG 2.85Å; K314-C318 VanDerWaalsContact O-SG 3.38Å; L315-C318 PolarHBondContact O-N 3.22Å; E316-C318 VanDerWaalsContact C-N 3.32Å; E316-C318 PolarHBondContact O-N 3.23Å
319	A	86.3	Confident	77.2	Confident	2 Å²	2	75.5 Å²	75.5	2%	0.017	38%	0.381	C	S	.	.	H	α-helix	trans	-80.5	-29.2	-172.5	0	0	0	0	0	113.9	G290 V291 L315 E316 L332	G290-A319 WeakPolarHBondContact CA-O 3.5Å; V291-A319 HydrophobicContact CB-CB 3.86Å; V291-A319 HydrophobicContact CG2-CB 4.25Å; V291-A319 PolarHBondContact N-O 2.99Å; V291-A319 VanDerWaalsContact N-O 3.13Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 2.93Å; E316-A319 PolarHBondContact O-N 3.46Å; A319-L332 HydrophobicContact CB-CD1 4.11Å; A319-L332 HydrophobicContact CB-CD2 3.89Å
320	L	74.5	Confident	75.7	Confident	73 Å²	73	73.8 Å²	73.8	38%	0.382	38%	0.375	S	S	.	.	S	Bend	trans	-80.2	138.3	-175.7	-68.7	170.3	0	0	0	111.8
321	R	64.8	Low	74.8	Confident	68 Å²	68	69.6 Å²	69.6	26%	0.257	36%	0.361	S	S	.	.			trans	-80.2	147.6	168.8	-66.3	-178	-178.7	-163.3	-9.4	110.6	T288 S289 S323 D324	T288-R321 VanDerWaalsContact CA-NH2 3.29Å; S289-R321 PolarHBondContact O-NE 3.25Å; S289-R321 PolarHBondContact O-NH2 3.14Å; R321-S323 PolarHBondContact O-N 2.81Å; R321-D324 HydrophobicContact CB-CB 4.05Å; R321-D324 WeakPolarHBondContact CD-OD2 3.35Å; R321-D324 PolarHBondContact O-N 3.45Å; R321-D324 VanDerWaalsContact O-N 3.1Å
322	K	58.8	Low	74.5	Confident	205 Å²	205	69.9 Å²	69.9	89%	0.891	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30	170.7	-68.1	-176.5	-179.5	176.6	0	113.5	T325	K322-T325 PolarHBondContact O-OG1 3.16Å; K322-T325 VanDerWaalsContact O-OG1 3.13Å
323	S	56.1	Low	74.3	Confident	84 Å²	84	70.1 Å²	70.1	59%	0.587	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-24.9	178.1	56	0	0	0	0	114.1	R321	R321-S323 PolarHBondContact O-N 2.81Å
324	D	56.6	Low	74.5	Confident	49 Å²	49	65.1 Å²	65.1	26%	0.262	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-96	2.9	-167.6	-65.5	5	0	0	0	111.6	R321 E326 T330	R321-D324 HydrophobicContact CB-CB 4.05Å; R321-D324 WeakPolarHBondContact CD-OD2 3.35Å; R321-D324 PolarHBondContact O-N 3.45Å; R321-D324 VanDerWaalsContact O-N 3.1Å; D324-E326 PolarHBondContact O-N 3.46Å; D324-T330 HydrophobicContact CB-CG2 4.2Å; D324-T330 PolarHBondContact O-OG1 2.67Å
325	T	54.8	Low	74.6	Confident	100 Å²	100	63 Å²	63	61%	0.613	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-71.7	-12.5	-177.8	48.2	0	0	0	0	113.6	K322	K322-T325 PolarHBondContact O-OG1 3.16Å; K322-T325 VanDerWaalsContact O-OG1 3.13Å
326	E	53.9	Low	74.8	Confident	183 Å²	183	63 Å²	63	86%	0.855	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-87.8	-18.4	-178.1	-65.1	-171.9	174.6	0	0	114.1	D324	D324-E326 PolarHBondContact O-N 3.46Å
327	D	58.5	Low	75	Confident	74 Å²	74	59.2 Å²	59.2	40%	0.396	31%	0.313	S	S	.	.			trans	-104.7	120.2	-179.3	-177.6	-7.5	0	0	0	110.7	T329 T330	D327-T329 PolarHBondContact O-N 2.72Å; D327-T329 WeakPolarHBondContact OD1-CA 3.28Å; D327-T329 VanDerWaalsContact OD1-CB 3.3Å; D327-T329 WeakPolarHBondContact OD1-CB 3.25Å; D327-T329 WeakPolarHBondContact OD1-CG2 2.95Å; D327-T329 PolarHBondContact OD1-N 3.46Å; D327-T329 PolarHBondContact OD1-OG1 3.03Å; D327-T329 PolarHBondContact OD2-OG1 2.75Å; D327-T330 HydrophobicContact CB-CG2 4.29Å; D327-T330 WeakPolarHBondContact CB-OG1 2.75Å; D327-T330 PolarHBondContact O-N 2.86Å; D327-T330 VanDerWaalsContact O-N 3.15Å; D327-T330 PolarHBondContact O-OG1 3.36Å
328	P	53.2	Low	75.3	Confident	103 Å²	103	53.4 Å²	53.4	67%	0.669	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-63.8	-22.3	176.7	22.9	-30.6	0	0	0	112.9	T330 T331	P328-T330 VanDerWaalsContact C-N 3.25Å; P328-T330 PolarHBondContact O-N 3.13Å; P328-T331 WeakPolarHBondContact O-CG2 3.38Å; P328-T331 PolarHBondContact O-OG1 3.02Å
329	T	57.4	Low	75.5	Confident	54 Å²	54	53.5 Å²	53.5	33%	0.331	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-76.1	-9.3	177.1	77.8	0	0	0	0	113.8	D327 F391	D327-T329 PolarHBondContact O-N 2.72Å; D327-T329 WeakPolarHBondContact OD1-CA 3.28Å; D327-T329 VanDerWaalsContact OD1-CB 3.3Å; D327-T329 WeakPolarHBondContact OD1-CB 3.25Å; D327-T329 WeakPolarHBondContact OD1-CG2 2.95Å; D327-T329 PolarHBondContact OD1-N 3.46Å; D327-T329 PolarHBondContact OD1-OG1 3.03Å; D327-T329 PolarHBondContact OD2-OG1 2.75Å; T329-F391 HydrophobicContact CG2-CD1 4.38Å; T329-F391 HydrophobicContact CG2-CE1 4.31Å
330	T	66.1	Low	75.8	Confident	36 Å²	36	56.1 Å²	56.1	22%	0.221	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-94.5	6.1	175.7	38.5	0	0	0	0	114	D324 D327 P328	D324-T330 HydrophobicContact CB-CG2 4.2Å; D324-T330 PolarHBondContact O-OG1 2.67Å; D327-T330 HydrophobicContact CB-CG2 4.29Å; D327-T330 WeakPolarHBondContact CB-OG1 2.75Å; D327-T330 PolarHBondContact O-N 2.86Å; D327-T330 VanDerWaalsContact O-N 3.15Å; D327-T330 PolarHBondContact O-OG1 3.36Å; P328-T330 VanDerWaalsContact C-N 3.25Å; P328-T330 PolarHBondContact O-N 3.13Å
331	T	79.4	Confident	76.5	Confident	53 Å²	53	52.8 Å²	52.8	33%	0.325	29%	0.289	S	S	.	.	S	Bend	trans	-63	145.1	171.8	47.9	0	0	0	0	112.6	P328 K333	P328-T331 WeakPolarHBondContact O-CG2 3.38Å; P328-T331 PolarHBondContact O-OG1 3.02Å; T331-K333 WeakPolarHBondContact O-CE 3.07Å; T331-K333 PolarHBondContact O-N 3.13Å; T331-K333 PolarHBondContact OG1-NZ 3.32Å
332	L	91.2	Very high	77.6	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	29%	0.293	C	S	.	.			trans	-60.7	130.8	175.8	-173.7	62.5	0	0	0	110.4	V291 V294 L315 E316 A319 H334	V291-L332 HydrophobicContact CB-CD1 3.9Å; V291-L332 HydrophobicContact CG1-CD1 3.83Å; V291-L332 VanDerWaalsContact O-CD1 3.3Å; V291-L332 WeakPolarHBondContact O-CD1 3.18Å; V294-L332 HydrophobicContact CG2-CD1 3.79Å; V294-L332 HydrophobicContact CG2-CD2 4.05Å; V294-L332 HydrophobicContact CG2-CG 4.15Å; L315-L332 HydrophobicContact CD2-CD2 4.35Å; L315-L332 HydrophobicContact CG-CD2 4.04Å; E316-L332 HydrophobicContact CG-CD2 3.87Å; A319-L332 HydrophobicContact CB-CD1 4.11Å; A319-L332 HydrophobicContact CB-CD2 3.89Å; L332-H334 WeakPolarHBondContact CD2-NE2 3.47Å
333	K	94	Very high	79.1	Confident	10 Å²	10	44.3 Å²	44.3	4%	0.043	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.4	178.2	-52.2	-54.6	179.9	-173.5	0	110.6	S292 L293 V294 T331 F391 S393 F403 F411	S292-K333 PolarHBondContact O-N 3.33Å; L293-K333 CarbonylContact C-O 3.53Å; L293-K333 WeakPolarHBondContact CA-O 3.36Å; L293-K333 HydrophobicContact CD1-CB 3.99Å; V294-K333 PolarHBondContact N-O 2.91Å; T331-K333 WeakPolarHBondContact O-CE 3.07Å; T331-K333 PolarHBondContact O-N 3.13Å; T331-K333 PolarHBondContact OG1-NZ 3.32Å; K333-F391 PolarHBondContact NZ-O 3.49Å; K333-S393 CarbonylContact C-O 3.36Å; K333-S393 WeakPolarHBondContact CA-O 3.37Å; K333-F403 HydrophobicContact CB-CE2 4.08Å; K333-F403 HydrophobicContact CB-CZ 4.39Å; K333-F403 HydrophobicContact CG-CE2 4.08Å; K333-F403 HydrophobicContact CG-CZ 4.25Å; K333-F411 HydrophobicContact CB-CE2 4.21Å; K333-F411 HydrophobicContact CB-CZ 4.39Å
334	H	97.4	Very high	80.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.8	-178.2	-60.6	-91.5	0	0	0	110	V294 H296 F303 E316 L332 S393 V394 V395	V294-H334 CarbonylContact O-C 3.55Å; V294-H334 WeakPolarHBondContact O-CA 3.42Å; H296-H334 AromaticContact CD2-ND1 3.89Å; H296-H334 AromaticContact CE1-ND1 3.78Å; H296-H334 AromaticContact NE2-CE1 3.9Å; H296-H334 AromaticContact NE2-CG 3.79Å; H296-H334 AromaticContact NE2-ND1 2.89Å; H296-H334 PolarHBondContact NE2-ND1 3.42Å; F303-H334 HydrophobicContact CE2-CB 4.34Å; F303-H334 HydrophobicContact CZ-CB 4.11Å; E316-H334 IonicContact OE1-NE2 3.32Å; E316-H334 PolarHBondContact OE1-NE2 3.15Å; L332-H334 WeakPolarHBondContact CD2-NE2 3.47Å; H334-S393 PolarHBondContact N-O 3.02Å; H334-V394 HydrophobicContact CB-CB 4.47Å; H334-V394 HydrophobicContact CB-CG1 4.35Å; H334-V394 HydrophobicContact CB-CG2 4.13Å; H334-V394 CarbonylContact O-C 3.55Å; H334-V394 WeakPolarHBondContact O-CA 3.31Å; H334-V395 PolarHBondContact O-N 2.96Å
335	L	98.1	Very high	82	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.7	171.7	176.3	60	0	0	0	108.8	V39 M51 L293 V294 V295 H296 L337 V395 A397 L401 F411	V39-L335 HydrophobicContact CG2-CD1 4.49Å; V39-L335 HydrophobicContact CG2-CD2 4.06Å; M51-L335 HydrophobicContact CE-CD2 3.61Å; M51-L335 HydrophobicContact SD-CD2 3.99Å; L293-L335 HydrophobicContact CD1-CB 4.26Å; V294-L335 PolarHBondContact O-N 2.73Å; V295-L335 CarbonylContact C-O 3.59Å; V295-L335 WeakPolarHBondContact CA-O 3.41Å; V295-L335 HydrophobicContact CG2-CB 4.47Å; V295-L335 HydrophobicContact CG2-CD2 4.39Å; H296-L335 PolarHBondContact N-O 3.01Å; L335-L337 HydrophobicContact CD2-CD1 4.29Å; L335-L337 HydrophobicContact CG-CD1 3.95Å; L335-V395 WeakPolarHBondContact CA-O 3.35Å; L335-A397 HydrophobicContact CD1-CB 3.89Å; L335-L401 HydrophobicContact CD1-CD2 3.72Å; L335-F411 HydrophobicContact CB-CE1 4.22Å; L335-F411 HydrophobicContact CB-CZ 4.46Å; L335-F411 HydrophobicContact CD1-CE1 4.14Å
336	V	98.2	Very high	83.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.9	-172.3	-175.5	0	0	0	0	110.6	F303 D338 V394 V395 A397	F303-V336 HydrophobicContact CB-CG1 3.86Å; F303-V336 HydrophobicContact CB-CG2 4.41Å; F303-V336 HydrophobicContact CD1-CG2 3.91Å; F303-V336 HydrophobicContact CD2-CG1 4.37Å; F303-V336 HydrophobicContact CD2-CG2 3.6Å; F303-V336 HydrophobicContact CE1-CG2 4.05Å; F303-V336 HydrophobicContact CE2-CG2 3.74Å; F303-V336 HydrophobicContact CG-CG1 4.07Å; F303-V336 HydrophobicContact CG-CG2 3.69Å; F303-V336 HydrophobicContact CZ-CG2 3.97Å; V336-D338 HydrophobicContact CG1-CB 4.13Å; V336-V394 HydrophobicContact CG2-CG1 3.95Å; V336-V395 PolarHBondContact N-O 2.88Å; V336-A397 VanDerWaalsContact O-CB 3.31Å; V336-A397 WeakPolarHBondContact O-CB 3.45Å; V336-A397 PolarHBondContact O-N 3.02Å
337	L	97.4	Very high	85.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	89.7	172.9	-69.9	86.6	0	0	0	109	V39 G41 K49 M51 V295 H296 F297 T298 L335 A397	V39-L337 HydrophobicContact CG1-CD2 4.36Å; G41-L337 WeakPolarHBondContact O-CD2 2.9Å; K49-L337 WeakPolarHBondContact CD-O 3.38Å; K49-L337 WeakPolarHBondContact CE-O 3.43Å; K49-L337 HydrophobicContact CG-CB 4.47Å; M51-L337 HydrophobicContact CG-CD1 4.38Å; M51-L337 HydrophobicContact CG-CD2 4.07Å; M51-L337 HydrophobicContact SD-CD1 4.1Å; M51-L337 HydrophobicContact SD-CD2 3.96Å; V295-L337 HydrophobicContact CG1-CD1 3.42Å; V295-L337 VanDerWaalsContact CG1-CD1 3.42Å; H296-L337 PolarHBondContact O-N 3.47Å; F297-L337 HydrophobicContact CD1-CB 3.96Å; F297-L337 HydrophobicContact CD1-CD1 4.4Å; F297-L337 HydrophobicContact CD1-CD2 3.99Å; F297-L337 HydrophobicContact CD1-CG 4.34Å; F297-L337 HydrophobicContact CE1-CD1 4.4Å; F297-L337 HydrophobicContact CE1-CD2 3.79Å; F297-L337 HydrophobicContact CE1-CG 4.49Å; T298-L337 PolarHBondContact N-O 3.42Å; T298-L337 VanDerWaalsContact N-O 3.16Å; L335-L337 HydrophobicContact CD2-CD1 4.29Å; L335-L337 HydrophobicContact CG-CD1 3.95Å; L337-A397 HydrophobicContact CB-CB 4.36Å; L337-A397 HydrophobicContact CD1-CB 4.09Å; L337-A397 HydrophobicContact CD2-CB 4.46Å; L337-A397 HydrophobicContact CG-CB 3.57Å
338	D	96	Very high	86.9	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.027	13%	0.134	C	C	.	.	S	Bend	trans	-113.3	-8.6	-179.8	73.1	-6.6	0	0	0	115.1	T298 P300 V336 T340	T298-D338 WeakPolarHBondContact O-CA 3.4Å; P300-D338 WeakPolarHBondContact CD-O 3.44Å; P300-D338 WeakPolarHBondContact CG-O 3.43Å; V336-D338 HydrophobicContact CG1-CB 4.13Å; D338-T340 VanDerWaalsContact CG-OG1 3.3Å; D338-T340 WeakPolarHBondContact OD1-CB 3.29Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.29Å; D338-T340 PolarHBondContact OD1-N 2.92Å; D338-T340 PolarHBondContact OD1-OG1 3.42Å; D338-T340 WeakPolarHBondContact OD2-CG2 3.07Å; D338-T340 PolarHBondContact OD2-OG1 3.08Å
339	G	92.9	Very high	88.7	Confident	16 Å²	16	18 Å²	18	17%	0.165	10%	0.103	C	C	.	.	S	Bend	trans	86.1	9.8	-179.1	0	0	0	0	0	115	N42 G43 R44 G341	N42-G339 VanDerWaalsContact O-CA 3.23Å; N42-G339 WeakPolarHBondContact O-CA 3.29Å; N42-G339 PolarHBondContact O-N 3.18Å; G43-G339 VanDerWaalsContact O-CA 3.29Å; G43-G339 WeakPolarHBondContact O-CA 3.45Å; R44-G339 WeakPolarHBondContact CA-O 3.24Å; G339-G341 VanDerWaalsContact C-N 3.34Å
340	T	92.9	Very high	90.5	Very high	58 Å²	58	15.6 Å²	15.6	36%	0.356	9%	0.087	S	C	.	.			trans	-86.4	-0	-179.4	62.1	0	0	0	0	114.5	P300 D338	P300-T340 HydrophobicContact CB-CG2 3.8Å; P300-T340 HydrophobicContact CG-CG2 4.31Å; D338-T340 VanDerWaalsContact CG-OG1 3.3Å; D338-T340 WeakPolarHBondContact OD1-CB 3.29Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.29Å; D338-T340 PolarHBondContact OD1-N 2.92Å; D338-T340 PolarHBondContact OD1-OG1 3.42Å; D338-T340 WeakPolarHBondContact OD2-CG2 3.07Å; D338-T340 PolarHBondContact OD2-OG1 3.08Å
341	G	88.6	Confident	91.9	Very high	3 Å²	3	14.1 Å²	14.1	3%	0.031	8%	0.079	C	C	.	.			trans	-65.8	152.4	-179.3	0	0	0	0	0	114.8	R44 G339 E398	R44-G341 PolarHBondContact NH1-O 3Å; G339-G341 VanDerWaalsContact C-N 3.34Å; G341-E398 WeakPolarHBondContact CA-OE1 3.33Å; G341-E398 WeakPolarHBondContact CA-OE2 3.41Å
342	Y	87.7	Confident	92.7	Very high	87 Å²	87	11.7 Å²	11.7	34%	0.341	6%	0.064	S	C	.	.			trans	-104.3	-11.7	-176.1	-65.1	-75.7	0	0	0	114.4	K379 E398	Y342-K379 HydrophobicContact CD1-CB 3.7Å; Y342-K379 HydrophobicContact CD1-CD 4.25Å; Y342-K379 HydrophobicContact CD2-CB 4.27Å; Y342-K379 HydrophobicContact CE1-CB 3.86Å; Y342-K379 HydrophobicContact CE1-CD 3.58Å; Y342-K379 HydrophobicContact CE1-CG 4.27Å; Y342-K379 HydrophobicContact CE2-CB 4.37Å; Y342-K379 HydrophobicContact CG-CB 3.94Å; Y342-E398 PolarHBondContact N-OE1 3.2Å; Y342-E398 PolarHBondContact N-OE2 2.85Å
343	V	89.8	Confident	92.9	Very high	7 Å²	7	11.5 Å²	11.5	4%	0.042	6%	0.063	C	C	.	.			trans	-85.8	138	-177.3	-178.6	0	0	0	0	110.4	T383 I384 E398 P399 Y416	V343-T383 HydrophobicContact CG2-CG2 4Å; V343-I384 HydrophobicContact CG2-CG1 3.98Å; V343-E398 HydrophobicContact CB-CB 4.5Å; V343-E398 WeakPolarHBondContact CB-OE2 3.35Å; V343-E398 HydrophobicContact CG2-CB 4.47Å; V343-E398 HydrophobicContact CG2-CG 4.22Å; V343-E398 PolarHBondContact N-OE2 3Å; V343-P399 WeakPolarHBondContact O-CG 3.47Å; V343-Y416 HydrophobicContact CG1-CD1 3.75Å; V343-Y416 HydrophobicContact CG1-CD2 4.43Å; V343-Y416 HydrophobicContact CG1-CE1 4.09Å; V343-Y416 HydrophobicContact CG1-CG 3.97Å; V343-Y416 HydrophobicContact CG2-CD2 4.26Å; V343-Y416 HydrophobicContact CG2-CE2 4.34Å
344	T	88.2	Confident	93	Very high	11 Å²	11	12.6 Å²	12.6	7%	0.067	7%	0.068	C	C	.	.			trans	-87.3	145.5	178.2	-170.8	0	0	0	0	112.1	R346 Y350 L419	T344-R346 PolarHBondContact OG1-N 3.24Å; T344-Y350 HydrophobicContact CG2-CD2 4.24Å; T344-Y350 HydrophobicContact CG2-CE2 4.12Å; T344-Y350 WeakPolarHBondContact OG1-CE2 3.23Å; T344-L419 HydrophobicContact CG2-CD1 3.82Å; T344-L419 HydrophobicContact CG2-CD2 3.88Å; T344-L419 HydrophobicContact CG2-CG 4.23Å
345	D	85.3	Confident	93	Very high	10 Å²	10	12.6 Å²	12.6	5%	0.053	7%	0.068	C	C	.	.	S	Bend	trans	-97.7	14.7	175.7	66.6	7.6	0	0	0	112.9	S47 R70 V71 P399 Y400	S47-D345 PolarHBondContact OG-OD2 3.27Å; R70-D345 IonicContact CZ-OD1 2.76Å; R70-D345 PolarHBondContact NH1-O 3.13Å; R70-D345 IonicContact NH1-OD1 2.78Å; R70-D345 VanDerWaalsContact NH2-CG 3.27Å; R70-D345 IonicContact NH2-OD1 2.62Å; R70-D345 PolarHBondContact NH2-OD1 3.37Å; R70-D345 IonicContact NH2-OD2 3.69Å; R70-D345 PolarHBondContact NH2-OD2 3.16Å; V71-D345 HydrophobicContact CG2-CB 4.37Å; V71-D345 VanDerWaalsContact CG2-OD2 3.29Å; V71-D345 WeakPolarHBondContact CG2-OD2 3.19Å; D345-P399 HydrophobicContact CB-CB 3.93Å; D345-P399 HydrophobicContact CB-CG 4.11Å; D345-Y400 HydrophobicContact CB-CE2 4.1Å
346	R	87.9	Confident	93	Very high	7 Å²	7	12.5 Å²	12.5	3%	0.026	7%	0.067	C	C	.	.			trans	-124.2	30	-169.6	-41.1	-161.6	169	-139.2	-17.4	115.3	S67 R70 T344 G348 M349 Y350 S507	S67-R346 PolarHBondContact OG-NH2 3.02Å; R70-R346 VanDerWaalsContact NH2-CZ 3.33Å; R70-R346 VanDerWaalsContact NH2-NE 3.14Å; R70-R346 VanDerWaalsContact NH2-NH2 3.17Å; T344-R346 PolarHBondContact OG1-N 3.24Å; R346-G348 PolarHBondContact O-N 2.87Å; R346-M349 HydrophobicContact CB-CB 4.25Å; R346-M349 HydrophobicContact CB-SD 4.13Å; R346-M349 WeakPolarHBondContact O-CB 3.39Å; R346-M349 PolarHBondContact O-N 2.98Å; R346-Y350 HydrophobicContact CB-CD2 4.07Å; R346-Y350 HydrophobicContact CB-CE2 4Å; R346-Y350 WeakPolarHBondContact O-CD2 3.09Å; R346-Y350 PolarHBondContact O-N 3.36Å; R346-S507 PolarHBondContact NH1-OG 3.24Å; R346-S507 PolarHBondContact NH2-OG 2.77Å
347	V	90.5	Very high	93	Very high	12 Å²	12	13.9 Å²	13.9	7%	0.073	7%	0.074	C	C	.	.	H	α-helix	trans	-50.5	-39.7	-170.8	-176.7	0	0	0	0	112.5	M349 Y350 S351 P417 F424	V347-M349 VanDerWaalsContact C-N 3.34Å; V347-M349 PolarHBondContact O-N 3.47Å; V347-Y350 PolarHBondContact O-N 2.74Å; V347-S351 VanDerWaalsContact O-CB 3.26Å; V347-S351 WeakPolarHBondContact O-CB 3.4Å; V347-S351 PolarHBondContact O-N 3.44Å; V347-P417 HydrophobicContact CB-CG 4.02Å; V347-P417 HydrophobicContact CG1-CB 4.01Å; V347-P417 HydrophobicContact CG1-CG 3.58Å; V347-P417 HydrophobicContact CG2-CG 3.4Å; V347-P417 VanDerWaalsContact CG2-CG 3.4Å; V347-F424 HydrophobicContact CG1-CE1 3.98Å; V347-F424 HydrophobicContact CG1-CZ 4.34Å
348	G	91.7	Very high	92.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-55.7	-42.8	175.4	0	0	0	0	0	114.6	E74 R346 Q352 K480 Y481	E74-G348 PolarHBondContact OE1-N 3.16Å; E74-G348 PolarHBondContact OE2-N 2.97Å; R346-G348 PolarHBondContact O-N 2.87Å; G348-Q352 PolarHBondContact O-N 3.36Å; G348-K480 CarbonylContact C-O 3.55Å; G348-K480 WeakPolarHBondContact CA-O 3.48Å; G348-Y481 WeakPolarHBondContact O-CD1 3.32Å
349	M	92.9	Very high	93	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68	-48.2	178	-72.7	172	164.8	0	0	111.5	R346 V347 S351 Q352 T353 K480 N483 Q508 F763	R346-M349 HydrophobicContact CB-CB 4.25Å; R346-M349 HydrophobicContact CB-SD 4.13Å; R346-M349 WeakPolarHBondContact O-CB 3.39Å; R346-M349 PolarHBondContact O-N 2.98Å; V347-M349 VanDerWaalsContact C-N 3.34Å; V347-M349 PolarHBondContact O-N 3.47Å; M349-S351 VanDerWaalsContact C-N 3.28Å; M349-S351 PolarHBondContact O-N 3.28Å; M349-Q352 PolarHBondContact O-N 2.98Å; M349-Q352 VanDerWaalsContact O-N 3.12Å; M349-T353 PolarHBondContact O-N 3.03Å; M349-T353 PolarHBondContact O-OG1 3.15Å; M349-T353 VanDerWaalsContact O-OG1 3.13Å; M349-K480 PolarHBondContact N-O 3.03Å; M349-N483 HydrophobicContact CE-CB 3.93Å; M349-Q508 PolarHBondContact SD-OE1 2.83Å; M349-Q508 VanDerWaalsContact SD-OE1 3.38Å; M349-F763 HydrophobicContact CB-CE2 4.17Å; M349-F763 HydrophobicContact CG-CE2 4.49Å; M349-F763 HydrophobicContact SD-CE2 4.45Å
350	Y	94.5	Very high	93.2	Very high	3 Å²	3	22 Å²	22	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-57.8	-43.3	176.3	-77.2	-96.1	0	0	0	111.8	T344 R346 V347 T353 F354 L368 D370 M371 L419	T344-Y350 HydrophobicContact CG2-CD2 4.24Å; T344-Y350 HydrophobicContact CG2-CE2 4.12Å; T344-Y350 WeakPolarHBondContact OG1-CE2 3.23Å; R346-Y350 HydrophobicContact CB-CD2 4.07Å; R346-Y350 HydrophobicContact CB-CE2 4Å; R346-Y350 WeakPolarHBondContact O-CD2 3.09Å; R346-Y350 PolarHBondContact O-N 3.36Å; V347-Y350 PolarHBondContact O-N 2.74Å; Y350-T353 PolarHBondContact O-N 3.24Å; Y350-F354 VanDerWaalsContact O-CB 3.27Å; Y350-F354 WeakPolarHBondContact O-CB 3.44Å; Y350-F354 PolarHBondContact O-N 2.88Å; Y350-L368 HydrophobicContact CD1-CB 3.8Å; Y350-L368 HydrophobicContact CD1-CD1 3.93Å; Y350-L368 HydrophobicContact CD1-CG 4.34Å; Y350-L368 HydrophobicContact CD2-CD1 4.06Å; Y350-L368 HydrophobicContact CE1-CB 3.36Å; Y350-L368 HydrophobicContact CE1-CD1 3.93Å; Y350-L368 HydrophobicContact CE1-CG 4.24Å; Y350-L368 HydrophobicContact CE2-CD1 4.03Å; Y350-L368 HydrophobicContact CG-CD1 4Å; Y350-D370 HydrophobicContact CE1-CB 3.65Å; Y350-D370 VanDerWaalsContact OH-CG 3.28Å; Y350-D370 PolarHBondContact OH-OD2 2.77Å; Y350-M371 HydrophobicContact CD1-CE 3.77Å; Y350-M371 HydrophobicContact CD1-CG 3.71Å; Y350-M371 HydrophobicContact CD1-SD 3.91Å; Y350-M371 HydrophobicContact CE1-CG 4.27Å; Y350-L419 HydrophobicContact CD1-CD1 3.8Å; Y350-L419 HydrophobicContact CD1-CD2 4.44Å; Y350-L419 HydrophobicContact CE1-CD1 4.01Å; Y350-L419 HydrophobicContact CG-CD1 4.18Å; Y350-L419 HydrophobicContact CG-CD2 4.05Å
351	S	95.2	Very high	93.3	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-46.1	174.8	169.4	0	0	0	0	112.2	V347 M349 I355 I428 R746	V347-S351 VanDerWaalsContact O-CB 3.26Å; V347-S351 WeakPolarHBondContact O-CB 3.4Å; V347-S351 PolarHBondContact O-N 3.44Å; M349-S351 VanDerWaalsContact C-N 3.28Å; M349-S351 PolarHBondContact O-N 3.28Å; S351-I355 WeakPolarHBondContact O-CG1 3.5Å; S351-I355 PolarHBondContact O-N 3Å; S351-I428 WeakPolarHBondContact OG-CD1 3.36Å; S351-R746 PolarHBondContact OG-NH2 3.13Å; S351-R746 VanDerWaalsContact OG-NH2 3.07Å
352	Q	95.4	Very high	93.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-49.1	177.6	-178.9	174.5	-83.2	0	0	111.7	G348 M349 F354 I355 L356 Y481 F785	G348-Q352 PolarHBondContact O-N 3.36Å; M349-Q352 PolarHBondContact O-N 2.98Å; M349-Q352 VanDerWaalsContact O-N 3.12Å; Q352-F354 VanDerWaalsContact C-N 3.3Å; Q352-F354 PolarHBondContact O-N 3.46Å; Q352-I355 PolarHBondContact O-N 2.62Å; Q352-L356 HydrophobicContact CG-CD1 4Å; Q352-L356 WeakPolarHBondContact O-CG 3.34Å; Q352-L356 PolarHBondContact O-N 3.16Å; Q352-L356 VanDerWaalsContact O-N 3.08Å; Q352-Y481 PolarHBondContact NE2-O 3.34Å; Q352-F785 HydrophobicContact CG-CE1 4.31Å; Q352-F785 HydrophobicContact CG-CZ 3.88Å
353	T	96.3	Very high	94.1	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-38.7	-179.8	-58	0	0	0	0	111.6	M349 Y350 I355 L356 N357 P366 L368 F763	M349-T353 PolarHBondContact O-N 3.03Å; M349-T353 PolarHBondContact O-OG1 3.15Å; M349-T353 VanDerWaalsContact O-OG1 3.13Å; Y350-T353 PolarHBondContact O-N 3.24Å; T353-I355 PolarHBondContact O-N 2.97Å; T353-L356 PolarHBondContact O-N 3.47Å; T353-N357 VanDerWaalsContact O-CB 3.25Å; T353-N357 WeakPolarHBondContact O-CB 3.06Å; T353-N357 PolarHBondContact O-N 3.32Å; T353-P366 WeakPolarHBondContact CG2-O 3.28Å; T353-L368 HydrophobicContact CG2-CD2 4.09Å; T353-L368 HydrophobicContact CG2-CG 3.95Å; T353-F763 WeakPolarHBondContact OG1-CD2 3.41Å
354	F	96.9	Very high	94.5	Very high	33 Å²	33	27.1 Å²	27.1	15%	0.145	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-45.7	176.2	-177.1	-90.8	0	0	0	112.2	Y350 Q352 N357 R358 L367 M371 G421 F424 V425	Y350-F354 VanDerWaalsContact O-CB 3.27Å; Y350-F354 WeakPolarHBondContact O-CB 3.44Å; Y350-F354 PolarHBondContact O-N 2.88Å; Q352-F354 VanDerWaalsContact C-N 3.3Å; Q352-F354 PolarHBondContact O-N 3.46Å; F354-N357 PolarHBondContact O-N 2.67Å; F354-R358 HydrophobicContact CE1-CB 4.21Å; F354-R358 HydrophobicContact CE1-CG 4.43Å; F354-R358 VanDerWaalsContact O-CB 3.26Å; F354-R358 WeakPolarHBondContact O-CB 3.17Å; F354-R358 PolarHBondContact O-N 3.41Å; F354-L367 HydrophobicContact CD2-CD2 4Å; F354-M371 HydrophobicContact CB-CE 4.2Å; F354-M371 HydrophobicContact CB-SD 4.37Å; F354-M371 HydrophobicContact CD2-SD 4.29Å; F354-G421 WeakPolarHBondContact CE1-O 3.47Å; F354-F424 HydrophobicContact CB-CD2 3.94Å; F354-F424 HydrophobicContact CD1-CB 4.36Å; F354-F424 HydrophobicContact CD1-CD2 4.34Å; F354-F424 HydrophobicContact CG-CD2 4.1Å; F354-V425 HydrophobicContact CE1-CG2 3.96Å
355	I	97.2	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-43.6	178.4	-65.6	-56.5	0	0	0	111.6	S351 Q352 T353 R358 F359 V425 I428 F429 A784 F785	S351-I355 WeakPolarHBondContact O-CG1 3.5Å; S351-I355 PolarHBondContact O-N 3Å; Q352-I355 PolarHBondContact O-N 2.62Å; T353-I355 PolarHBondContact O-N 2.97Å; I355-R358 PolarHBondContact O-N 3.38Å; I355-F359 HydrophobicContact CD1-CD2 4.28Å; I355-F359 HydrophobicContact CD1-CE2 3.83Å; I355-F359 HydrophobicContact CG2-CD2 3.92Å; I355-F359 HydrophobicContact CG2-CE2 4.48Å; I355-F359 WeakPolarHBondContact O-CD2 3.32Å; I355-F359 PolarHBondContact O-N 2.96Å; I355-V425 HydrophobicContact CD1-CG2 3.89Å; I355-I428 HydrophobicContact CD1-CD1 3.86Å; I355-I428 HydrophobicContact CG1-CD1 3.29Å; I355-F429 HydrophobicContact CD1-CE2 4.22Å; I355-A784 HydrophobicContact CG2-CB 3.94Å; I355-F785 HydrophobicContact CB-CE1 4.3Å; I355-F785 HydrophobicContact CB-CZ 4.46Å; I355-F785 HydrophobicContact CG2-CE1 4.03Å; I355-F785 HydrophobicContact CG2-CZ 4.15Å
356	L	97.7	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-44.7	176.7	-69	169.9	0	0	0	111.4	Q352 T353 R358 F360 D361 Y365 F761 Y781 F785	Q352-L356 HydrophobicContact CG-CD1 4Å; Q352-L356 WeakPolarHBondContact O-CG 3.34Å; Q352-L356 PolarHBondContact O-N 3.16Å; Q352-L356 VanDerWaalsContact O-N 3.08Å; T353-L356 PolarHBondContact O-N 3.47Å; L356-R358 PolarHBondContact O-N 3.11Å; L356-F360 HydrophobicContact CD2-CD2 4.06Å; L356-F360 HydrophobicContact CD2-CE2 4.2Å; L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.44Å; L356-F360 VanDerWaalsContact O-N 3.11Å; L356-D361 PolarHBondContact O-N 3.37Å; L356-Y365 HydrophobicContact CB-CD1 3.93Å; L356-Y365 HydrophobicContact CB-CD2 3.8Å; L356-Y365 HydrophobicContact CB-CE1 4.5Å; L356-Y365 HydrophobicContact CB-CE2 4.38Å; L356-Y365 HydrophobicContact CB-CG 3.54Å; L356-Y365 HydrophobicContact CD1-CD1 3.96Å; L356-Y365 HydrophobicContact CD1-CE1 4.12Å; L356-Y365 HydrophobicContact CD1-CG 4.45Å; L356-Y365 HydrophobicContact CD2-CE2 4.41Å; L356-Y365 HydrophobicContact CG-CD1 4.44Å; L356-Y365 HydrophobicContact CG-CG 4.47Å; L356-F761 HydrophobicContact CD1-CB 4Å; L356-F761 HydrophobicContact CD1-CD1 3.64Å; L356-F761 HydrophobicContact CD1-CE1 4.18Å; L356-F761 HydrophobicContact CD1-CG 3.83Å; L356-F761 HydrophobicContact CD2-CE1 4.33Å; L356-F761 HydrophobicContact CD2-CZ 4.39Å; L356-Y781 HydrophobicContact CD2-CD1 4.04Å; L356-Y781 HydrophobicContact CD2-CE1 3.73Å; L356-F785 HydrophobicContact CD2-CE2 4.04Å; L356-F785 HydrophobicContact CD2-CZ 4.2Å; L356-F785 HydrophobicContact CG-CE2 4.46Å; L356-F785 HydrophobicContact CG-CZ 4.15Å
357	N	97.6	Very high	96	Very high	28 Å²	28	30.1 Å²	30.1	15%	0.15	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-47	175.4	-178.5	-86.6	0	0	0	112.2	T353 F354 S362 Y365 L367	T353-N357 VanDerWaalsContact O-CB 3.25Å; T353-N357 WeakPolarHBondContact O-CB 3.06Å; T353-N357 PolarHBondContact O-N 3.32Å; F354-N357 PolarHBondContact O-N 2.67Å; N357-S362 WeakPolarHBondContact ND2-CA 3.45Å; N357-S362 WeakPolarHBondContact ND2-CB 3.43Å; N357-Y365 WeakPolarHBondContact CA-O 3.18Å; N357-Y365 WeakPolarHBondContact CB-O 3.35Å; N357-Y365 PolarHBondContact ND2-O 3.16Å; N357-L367 HydrophobicContact CB-CD2 3.88Å
358	R	96.5	Very high	96.2	Very high	158 Å²	158	29.6 Å²	29.6	60%	0.596	14%	0.143	S	C	*	.	H	α-helix	trans	-73.4	-41.3	-171.7	-179.2	62	175.8	111.8	-1.1	113.6	F354 I355 L356	F354-R358 HydrophobicContact CE1-CB 4.21Å; F354-R358 HydrophobicContact CE1-CG 4.43Å; F354-R358 VanDerWaalsContact O-CB 3.26Å; F354-R358 WeakPolarHBondContact O-CB 3.17Å; F354-R358 PolarHBondContact O-N 3.41Å; I355-R358 PolarHBondContact O-N 3.38Å; L356-R358 PolarHBondContact O-N 3.11Å
359	F	97.1	Very high	96.4	Very high	13 Å²	13	32.3 Å²	32.3	6%	0.057	16%	0.155	C	C	.	.	H	α-helix	trans	-106.2	-17.6	-169.1	-64.3	-74.3	0	0	0	114.6	I355 V425 F429 L436 E440 F443 M446	I355-F359 HydrophobicContact CD1-CD2 4.28Å; I355-F359 HydrophobicContact CD1-CE2 3.83Å; I355-F359 HydrophobicContact CG2-CD2 3.92Å; I355-F359 HydrophobicContact CG2-CE2 4.48Å; I355-F359 WeakPolarHBondContact O-CD2 3.32Å; I355-F359 PolarHBondContact O-N 2.96Å; F359-V425 HydrophobicContact CE2-CG2 4.07Å; F359-V425 HydrophobicContact CZ-CG1 4.47Å; F359-V425 HydrophobicContact CZ-CG2 4.22Å; F359-F429 HydrophobicContact CD2-CE2 4.34Å; F359-F429 HydrophobicContact CD2-CZ 4.26Å; F359-F429 AromaticContact CE2-CE2 3.57Å; F359-F429 HydrophobicContact CE2-CE2 3.57Å; F359-F429 AromaticContact CE2-CZ 3.92Å; F359-F429 HydrophobicContact CE2-CZ 3.92Å; F359-F429 AromaticContact CZ-CE2 3.74Å; F359-F429 HydrophobicContact CZ-CE2 3.74Å; F359-F429 HydrophobicContact CZ-CZ 4.18Å; F359-L436 HydrophobicContact CE1-CD1 4.19Å; F359-L436 HydrophobicContact CZ-CD1 3.92Å; F359-E440 HydrophobicContact CE1-CG 4.39Å; F359-F443 HydrophobicContact CB-CD1 4.47Å; F359-F443 HydrophobicContact CB-CD2 3.9Å; F359-F443 HydrophobicContact CB-CE1 4.43Å; F359-F443 HydrophobicContact CB-CE2 3.84Å; F359-F443 HydrophobicContact CB-CG 4.24Å; F359-F443 HydrophobicContact CB-CZ 4.12Å; F359-F443 AromaticContact CD1-CD2 3.35Å; F359-F443 HydrophobicContact CD1-CD2 3.35Å; F359-F443 AromaticContact CD1-CE2 3.48Å; F359-F443 HydrophobicContact CD1-CE2 3.48Å; F359-F443 VanDerWaalsContact CD1-CE2 3.48Å; F359-F443 HydrophobicContact CD1-CG 4.32Å; F359-F443 HydrophobicContact CD2-CE2 4.3Å; F359-F443 HydrophobicContact CE1-CD2 4.09Å; F359-F443 HydrophobicContact CE1-CE2 4.07Å; F359-F443 AromaticContact CG-CD2 3.82Å; F359-F443 HydrophobicContact CG-CD2 3.82Å; F359-F443 AromaticContact CG-CE2 3.61Å; F359-F443 HydrophobicContact CG-CE2 3.61Å; F359-F443 HydrophobicContact CG-CZ 4.26Å; F359-M446 WeakPolarHBondContact O-CE 3.4Å
360	F	96.5	Very high	96.3	Very high	21 Å²	21	32.5 Å²	32.5	9%	0.092	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-79.4	-179.4	-62	-101.5	0	0	0	110.9	L356 Y365 F443 M446 Y777 Y781 A784	L356-F360 HydrophobicContact CD2-CD2 4.06Å; L356-F360 HydrophobicContact CD2-CE2 4.2Å; L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.44Å; L356-F360 VanDerWaalsContact O-N 3.11Å; F360-Y365 HydrophobicContact CB-CD2 4.17Å; F360-Y365 HydrophobicContact CB-CE2 4.01Å; F360-F443 HydrophobicContact CE2-CE1 4.27Å; F360-F443 HydrophobicContact CZ-CE1 4.08Å; F360-M446 HydrophobicContact CD1-CE 3.89Å; F360-M446 HydrophobicContact CD1-SD 3.82Å; F360-M446 HydrophobicContact CE1-CE 4.32Å; F360-M446 HydrophobicContact CE1-SD 3.88Å; F360-M446 HydrophobicContact CG-CE 4.37Å; F360-Y777 AromaticContact CD1-CD1 3.96Å; F360-Y777 HydrophobicContact CD1-CD1 3.96Å; F360-Y777 HydrophobicContact CD1-CD2 4.37Å; F360-Y777 AromaticContact CD1-CG 3.76Å; F360-Y777 HydrophobicContact CD1-CG 3.76Å; F360-Y781 HydrophobicContact CD1-CD1 4.25Å; F360-Y781 AromaticContact CD1-CE1 3.83Å; F360-Y781 HydrophobicContact CD1-CE1 3.83Å; F360-Y781 AromaticContact CE1-CD1 3.51Å; F360-Y781 HydrophobicContact CE1-CD1 3.51Å; F360-Y781 AromaticContact CE1-CE1 3.54Å; F360-Y781 HydrophobicContact CE1-CE1 3.54Å; F360-Y781 HydrophobicContact CE1-CG 4.37Å; F360-Y781 HydrophobicContact CE2-CD1 4.19Å; F360-Y781 HydrophobicContact CE2-CE1 4.44Å; F360-Y781 HydrophobicContact CG-CE1 4.38Å; F360-Y781 AromaticContact CZ-CD1 3.48Å; F360-Y781 HydrophobicContact CZ-CD1 3.48Å; F360-Y781 VanDerWaalsContact CZ-CD1 3.48Å; F360-Y781 AromaticContact CZ-CE1 3.89Å; F360-Y781 HydrophobicContact CZ-CE1 3.89Å; F360-Y781 HydrophobicContact CZ-CG 4.4Å; F360-A784 HydrophobicContact CE2-CB 3.7Å; F360-A784 HydrophobicContact CZ-CB 3.9Å
361	D	96.2	Very high	96.2	Very high	25 Å²	25	33.9 Å²	33.9	13%	0.134	16%	0.163	C	C	.	.			trans	-156.8	120.3	-175.2	-167	-72.4	0	0	0	112.1	L356 K363 V364 Y365 R773 Y777	L356-D361 PolarHBondContact O-N 3.37Å; D361-K363 VanDerWaalsContact C-N 3.31Å; D361-K363 PolarHBondContact O-N 3.41Å; D361-K363 WeakPolarHBondContact OD1-CA 3.31Å; D361-K363 VanDerWaalsContact OD1-CB 3.3Å; D361-K363 WeakPolarHBondContact OD1-CB 3.21Å; D361-K363 PolarHBondContact OD1-N 3.46Å; D361-V364 HydrophobicContact CB-CB 4.04Å; D361-V364 HydrophobicContact CB-CG2 4.06Å; D361-V364 PolarHBondContact OD1-N 3.31Å; D361-Y365 WeakPolarHBondContact O-CB 3.08Å; D361-Y365 WeakPolarHBondContact O-CD2 3.48Å; D361-Y365 PolarHBondContact O-N 3.01Å; D361-R773 IonicContact OD1-NH1 3.36Å; D361-R773 IonicContact OD1-NH2 2.84Å; D361-R773 PolarHBondContact OD1-NH2 2.8Å; D361-R773 IonicContact OD2-CZ 2.77Å; D361-R773 IonicContact OD2-NH1 3.61Å; D361-R773 PolarHBondContact OD2-NH1 3.45Å; D361-R773 IonicContact OD2-NH2 3.64Å; D361-R773 PolarHBondContact OD2-NH2 2.84Å; D361-Y777 HydrophobicContact CB-CE2 4.32Å
362	S	97.1	Very high	96.1	Very high	73 Å²	73	36.4 Å²	36.4	51%	0.51	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.9	-176.5	60.1	0	0	0	0	114.5	N357	N357-S362 WeakPolarHBondContact ND2-CA 3.45Å; N357-S362 WeakPolarHBondContact ND2-CB 3.43Å
363	K	95.9	Very high	96	Very high	164 Å²	164	38.8 Å²	38.8	71%	0.713	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-42.5	173.9	-62.5	-178.9	178.1	178.3	0	110.9	D361	D361-K363 VanDerWaalsContact C-N 3.31Å; D361-K363 PolarHBondContact O-N 3.41Å; D361-K363 WeakPolarHBondContact OD1-CA 3.31Å; D361-K363 VanDerWaalsContact OD1-CB 3.3Å; D361-K363 WeakPolarHBondContact OD1-CB 3.21Å; D361-K363 PolarHBondContact OD1-N 3.46Å
364	V	97.6	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-37.5	176.4	178.7	0	0	0	0	111.3	D361 P366 M764 T765 V766 D770 L774	D361-V364 HydrophobicContact CB-CB 4.04Å; D361-V364 HydrophobicContact CB-CG2 4.06Å; D361-V364 PolarHBondContact OD1-N 3.31Å; V364-P366 VanDerWaalsContact C-CD 3.48Å; V364-P366 VanDerWaalsContact O-CD 3.28Å; V364-P366 WeakPolarHBondContact O-CD 3.1Å; V364-M764 HydrophobicContact CG1-CE 3.95Å; V364-M764 HydrophobicContact CG1-CG 3.73Å; V364-M764 HydrophobicContact CG1-SD 4.41Å; V364-M764 CarbonylContact O-C 3.55Å; V364-M764 WeakPolarHBondContact O-CA 3.46Å; V364-T765 WeakPolarHBondContact CA-O 3.4Å; V364-T765 PolarHBondContact O-N 3.27Å; V364-V766 HydrophobicContact CG1-CG1 3.8Å; V364-D770 HydrophobicContact CG2-CB 4.43Å; V364-L774 HydrophobicContact CG1-CD2 3.94Å; V364-L774 HydrophobicContact CG2-CD2 4.13Å
365	Y	98.1	Very high	95.6	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.241	C	C	.	.	S	Bend	trans	-117.7	77.7	179.6	-54.1	-69.4	0	0	0	109.2	L356 N357 F360 D361 F761 M764 Y777 Y781	L356-Y365 HydrophobicContact CB-CD1 3.93Å; L356-Y365 HydrophobicContact CB-CD2 3.8Å; L356-Y365 HydrophobicContact CB-CE1 4.5Å; L356-Y365 HydrophobicContact CB-CE2 4.38Å; L356-Y365 HydrophobicContact CB-CG 3.54Å; L356-Y365 HydrophobicContact CD1-CD1 3.96Å; L356-Y365 HydrophobicContact CD1-CE1 4.12Å; L356-Y365 HydrophobicContact CD1-CG 4.45Å; L356-Y365 HydrophobicContact CD2-CE2 4.41Å; L356-Y365 HydrophobicContact CG-CD1 4.44Å; L356-Y365 HydrophobicContact CG-CG 4.47Å; N357-Y365 WeakPolarHBondContact CA-O 3.18Å; N357-Y365 WeakPolarHBondContact CB-O 3.35Å; N357-Y365 PolarHBondContact ND2-O 3.16Å; F360-Y365 HydrophobicContact CB-CD2 4.17Å; F360-Y365 HydrophobicContact CB-CE2 4.01Å; D361-Y365 WeakPolarHBondContact O-CB 3.08Å; D361-Y365 WeakPolarHBondContact O-CD2 3.48Å; D361-Y365 PolarHBondContact O-N 3.01Å; Y365-F761 HydrophobicContact CE1-CB 4.13Å; Y365-F761 HydrophobicContact CE1-CD2 4.31Å; Y365-F761 HydrophobicContact CE1-CG 4.46Å; Y365-M764 HydrophobicContact CD1-CB 4.2Å; Y365-M764 HydrophobicContact CD1-CG 4.42Å; Y365-M764 HydrophobicContact CE1-CB 3.86Å; Y365-M764 HydrophobicContact CE1-CG 3.82Å; Y365-M764 HydrophobicContact CE1-SD 3.92Å; Y365-Y777 HydrophobicContact CE2-CD2 4.42Å; Y365-Y781 PolarHBondContact OH-OH 3.18Å
366	P	98	Very high	95.3	Very high	33 Å²	33	46.2 Å²	46.2	21%	0.214	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-62.3	150.9	179.2	27.5	-36.5	0	0	0	111.7	T353 V364 L512 F763	T353-P366 WeakPolarHBondContact CG2-O 3.28Å; V364-P366 VanDerWaalsContact C-CD 3.48Å; V364-P366 VanDerWaalsContact O-CD 3.28Å; V364-P366 WeakPolarHBondContact O-CD 3.1Å; P366-L512 HydrophobicContact CB-CD1 4.45Å; P366-L512 HydrophobicContact CG-CD1 3.74Å; P366-F763 WeakPolarHBondContact CD-O 3.1Å
367	L	96.4	Very high	95	Very high	58 Å²	58	47.9 Å²	47.9	30%	0.304	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-66.4	141	169.5	-67.8	178	0	0	0	110.1	F354 N357 M371 A372	F354-L367 HydrophobicContact CD2-CD2 4Å; N357-L367 HydrophobicContact CB-CD2 3.88Å; L367-M371 HydrophobicContact CD2-CE 3.86Å; L367-A372 HydrophobicContact CB-CB 4.33Å
368	L	96.3	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.7	155.7	175.8	-58.2	-172.7	0	0	0	111.5	Y350 T353 D370 M371 A372 A511 L512 F763	Y350-L368 HydrophobicContact CD1-CB 3.8Å; Y350-L368 HydrophobicContact CD1-CD1 3.93Å; Y350-L368 HydrophobicContact CD1-CG 4.34Å; Y350-L368 HydrophobicContact CD2-CD1 4.06Å; Y350-L368 HydrophobicContact CE1-CB 3.36Å; Y350-L368 HydrophobicContact CE1-CD1 3.93Å; Y350-L368 HydrophobicContact CE1-CG 4.24Å; Y350-L368 HydrophobicContact CE2-CD1 4.03Å; Y350-L368 HydrophobicContact CG-CD1 4Å; T353-L368 HydrophobicContact CG2-CD2 4.09Å; T353-L368 HydrophobicContact CG2-CG 3.95Å; L368-D370 PolarHBondContact O-N 3.4Å; L368-M371 HydrophobicContact CB-CE 4.47Å; L368-M371 PolarHBondContact O-N 2.71Å; L368-A372 PolarHBondContact O-N 3.41Å; L368-A511 WeakPolarHBondContact CB-O 3.35Å; L368-L512 HydrophobicContact CD2-CD1 3.97Å; L368-F763 HydrophobicContact CD1-CD2 4.09Å; L368-F763 HydrophobicContact CD1-CE2 3.75Å; L368-F763 HydrophobicContact CD1-CZ 4.02Å; L368-F763 HydrophobicContact CD2-CB 3.94Å; L368-F763 HydrophobicContact CD2-CD1 3.68Å; L368-F763 HydrophobicContact CD2-CD2 3.73Å; L368-F763 HydrophobicContact CD2-CE1 3.99Å; L368-F763 HydrophobicContact CD2-CE2 4.05Å; L368-F763 HydrophobicContact CD2-CG 3.49Å; L368-F763 VanDerWaalsContact CD2-CG 3.49Å; L368-F763 HydrophobicContact CD2-CZ 4.14Å; L368-F763 HydrophobicContact CG-CD2 4.46Å
369	F	94.6	Very high	94.6	Very high	58 Å²	58	45.8 Å²	45.8	25%	0.254	26%	0.259	S	S	.	.	H	α-helix	trans	-53.4	-47.7	-170	-175.7	-97.9	0	0	0	113.3	M371 A372 D373 T376 A511 G514	F369-M371 PolarHBondContact O-N 3.02Å; F369-A372 PolarHBondContact O-N 3.34Å; F369-D373 HydrophobicContact CD1-CB 4.41Å; F369-D373 HydrophobicContact CD2-CB 4.21Å; F369-D373 HydrophobicContact CE1-CB 4.01Å; F369-D373 HydrophobicContact CE2-CB 3.79Å; F369-D373 HydrophobicContact CG-CB 4.5Å; F369-D373 HydrophobicContact CZ-CB 3.67Å; F369-D373 PolarHBondContact O-N 3.2Å; F369-T376 HydrophobicContact CE1-CG2 4.35Å; F369-T376 WeakPolarHBondContact CE1-OG1 3.09Å; F369-A511 WeakPolarHBondContact CB-O 3.19Å; F369-A511 PolarHBondContact N-O 2.86Å; F369-G514 VanDerWaalsContact CG-CA 3.48Å
370	D	92.2	Very high	94.4	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-5.7	-178.8	-59.6	-13.7	0	0	0	114.3	R44 Y350 L368 T376 V377 L419	R44-D370 IonicContact NH2-OD1 3.37Å; R44-D370 PolarHBondContact NH2-OD1 3.38Å; R44-D370 IonicContact NH2-OD2 2.78Å; Y350-D370 HydrophobicContact CE1-CB 3.65Å; Y350-D370 VanDerWaalsContact OH-CG 3.28Å; Y350-D370 PolarHBondContact OH-OD2 2.77Å; L368-D370 PolarHBondContact O-N 3.4Å; D370-T376 HydrophobicContact CB-CG2 4.29Å; D370-V377 VanDerWaalsContact O-CG2 3.24Å; D370-V377 WeakPolarHBondContact O-CG2 3.43Å; D370-L419 HydrophobicContact CB-CD1 3.96Å
371	M	91.9	Very high	94.1	Very high	32 Å²	32	47.5 Å²	47.5	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-107.2	-22.2	169.3	-71.7	-174.4	-52.7	0	0	113	Y350 F354 L367 L368 F369 L419 F424	Y350-M371 HydrophobicContact CD1-CE 3.77Å; Y350-M371 HydrophobicContact CD1-CG 3.71Å; Y350-M371 HydrophobicContact CD1-SD 3.91Å; Y350-M371 HydrophobicContact CE1-CG 4.27Å; F354-M371 HydrophobicContact CB-CE 4.2Å; F354-M371 HydrophobicContact CB-SD 4.37Å; F354-M371 HydrophobicContact CD2-SD 4.29Å; L367-M371 HydrophobicContact CD2-CE 3.86Å; L368-M371 HydrophobicContact CB-CE 4.47Å; L368-M371 PolarHBondContact O-N 2.71Å; F369-M371 PolarHBondContact O-N 3.02Å; M371-L419 HydrophobicContact CG-CB 3.97Å; M371-L419 HydrophobicContact CG-CD1 4.18Å; M371-L419 HydrophobicContact SD-CB 4.45Å; M371-F424 HydrophobicContact SD-CE2 4.08Å
372	A	92.4	Very high	93.9	Very high	60 Å²	60	51 Å²	51	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-92.9	-36.7	-175.8	0	0	0	0	0	112.6	L367 L368 F369	L367-A372 HydrophobicContact CB-CB 4.33Å; L368-A372 PolarHBondContact O-N 3.41Å; F369-A372 PolarHBondContact O-N 3.34Å
373	D	93.6	Very high	93.6	Very high	50 Å²	50	49 Å²	49	27%	0.267	27%	0.269	S	S	.	.			trans	-84.9	118	-177	179	58.4	0	0	0	112.3	F369 D375 T376 V377	F369-D373 HydrophobicContact CD1-CB 4.41Å; F369-D373 HydrophobicContact CD2-CB 4.21Å; F369-D373 HydrophobicContact CE1-CB 4.01Å; F369-D373 HydrophobicContact CE2-CB 3.79Å; F369-D373 HydrophobicContact CG-CB 4.5Å; F369-D373 HydrophobicContact CZ-CB 3.67Å; F369-D373 PolarHBondContact O-N 3.2Å; D373-D375 PolarHBondContact O-N 2.92Å; D373-T376 PolarHBondContact O-N 2.77Å; D373-T376 WeakPolarHBondContact OD2-CB 3.39Å; D373-T376 PolarHBondContact OD2-N 3.44Å; D373-T376 PolarHBondContact OD2-OG1 3.16Å; D373-V377 WeakPolarHBondContact O-CB 3.18Å; D373-V377 WeakPolarHBondContact O-CG2 3.48Å; D373-V377 PolarHBondContact O-N 3.31Å
374	S	92.5	Very high	93.3	Very high	92 Å²	92	42.2 Å²	42.2	64%	0.643	24%	0.24	S	C	*	.	H	α-helix	trans	-67.5	-33.9	-172.4	-64.2	0	0	0	0	113.5	S378	S374-S378 WeakPolarHBondContact O-CB 3.42Å; S374-S378 PolarHBondContact O-N 3.43Å; S374-S378 PolarHBondContact O-OG 3.09Å
375	D	92.8	Very high	92.9	Very high	84 Å²	84	46.4 Å²	46.4	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-70.3	-47.2	178.2	-179	43.4	0	0	0	110.8	D373 V377 S378 K379	D373-D375 PolarHBondContact O-N 2.92Å; D375-V377 VanDerWaalsContact C-N 3.33Å; D375-V377 PolarHBondContact O-N 3.02Å; D375-S378 PolarHBondContact O-N 3.26Å; D375-S378 VanDerWaalsContact O-N 3.16Å; D375-K379 WeakPolarHBondContact O-CG 3.41Å; D375-K379 PolarHBondContact O-N 2.83Å; D375-K379 WeakPolarHBondContact OD1-CE 3.23Å; D375-K379 IonicContact OD1-NZ 3.56Å; D375-K379 PolarHBondContact OD1-NZ 3.4Å; D375-K379 WeakPolarHBondContact OD2-CE 3.01Å; D375-K379 IonicContact OD2-NZ 2.78Å; D375-K379 PolarHBondContact OD2-NZ 3.13Å
376	T	90.6	Very high	92.5	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-43	175	-60.9	0	0	0	0	111.6	F369 D370 D373 S378 R380	F369-T376 HydrophobicContact CE1-CG2 4.35Å; F369-T376 WeakPolarHBondContact CE1-OG1 3.09Å; D370-T376 HydrophobicContact CB-CG2 4.29Å; D373-T376 PolarHBondContact O-N 2.77Å; D373-T376 WeakPolarHBondContact OD2-CB 3.39Å; D373-T376 PolarHBondContact OD2-N 3.44Å; D373-T376 PolarHBondContact OD2-OG1 3.16Å; T376-S378 VanDerWaalsContact C-N 3.35Å; T376-S378 PolarHBondContact O-N 2.89Å; T376-R380 VanDerWaalsContact O-CB 3.23Å; T376-R380 WeakPolarHBondContact O-CB 3.19Å; T376-R380 PolarHBondContact O-N 3.26Å
377	V	91.5	Very high	92	Very high	35 Å²	35	57.7 Å²	57.7	21%	0.212	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-45.8	174.8	169.2	0	0	0	0	111.1	D370 D373 D375 R380 N381	D370-V377 VanDerWaalsContact O-CG2 3.24Å; D370-V377 WeakPolarHBondContact O-CG2 3.43Å; D373-V377 WeakPolarHBondContact O-CB 3.18Å; D373-V377 WeakPolarHBondContact O-CG2 3.48Å; D373-V377 PolarHBondContact O-N 3.31Å; D375-V377 VanDerWaalsContact C-N 3.33Å; D375-V377 PolarHBondContact O-N 3.02Å; V377-R380 PolarHBondContact O-N 2.78Å; V377-N381 WeakPolarHBondContact O-CB 3.47Å; V377-N381 PolarHBondContact O-N 3.31Å; V377-N381 PolarHBondContact O-ND2 3.24Å
378	S	92.8	Very high	91.6	Very high	72 Å²	72	57 Å²	57	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-49.9	-179	-60.8	0	0	0	0	111.6	S374 D375 T376 R380 N381 E382	S374-S378 WeakPolarHBondContact O-CB 3.42Å; S374-S378 PolarHBondContact O-N 3.43Å; S374-S378 PolarHBondContact O-OG 3.09Å; D375-S378 PolarHBondContact O-N 3.26Å; D375-S378 VanDerWaalsContact O-N 3.16Å; T376-S378 VanDerWaalsContact C-N 3.35Å; T376-S378 PolarHBondContact O-N 2.89Å; S378-R380 PolarHBondContact O-N 3.29Å; S378-N381 PolarHBondContact O-N 3.36Å; S378-E382 PolarHBondContact O-N 3.26Å
379	K	92.4	Very high	91.3	Very high	71 Å²	71	61.2 Å²	61.2	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-42	177.9	-71	170.1	176.1	164.2	0	112.2	Y342 D375 E382 T383	Y342-K379 HydrophobicContact CD1-CB 3.7Å; Y342-K379 HydrophobicContact CD1-CD 4.25Å; Y342-K379 HydrophobicContact CD2-CB 4.27Å; Y342-K379 HydrophobicContact CE1-CB 3.86Å; Y342-K379 HydrophobicContact CE1-CD 3.58Å; Y342-K379 HydrophobicContact CE1-CG 4.27Å; Y342-K379 HydrophobicContact CE2-CB 4.37Å; Y342-K379 HydrophobicContact CG-CB 3.94Å; D375-K379 WeakPolarHBondContact O-CG 3.41Å; D375-K379 PolarHBondContact O-N 2.83Å; D375-K379 WeakPolarHBondContact OD1-CE 3.23Å; D375-K379 IonicContact OD1-NZ 3.56Å; D375-K379 PolarHBondContact OD1-NZ 3.4Å; D375-K379 WeakPolarHBondContact OD2-CE 3.01Å; D375-K379 IonicContact OD2-NZ 2.78Å; D375-K379 PolarHBondContact OD2-NZ 3.13Å; K379-E382 PolarHBondContact O-N 2.59Å; K379-T383 PolarHBondContact O-N 3.37Å; K379-T383 PolarHBondContact O-OG1 3.24Å; K379-T383 VanDerWaalsContact O-OG1 3.11Å
380	R	92.2	Very high	91.1	Very high	8 Å²	8	61 Å²	61	3%	0.03	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-48.6	174.1	-179.3	-176.9	65.8	78.2	5.6	111.2	T376 V377 S378 E382 T383 I384 Q418	T376-R380 VanDerWaalsContact O-CB 3.23Å; T376-R380 WeakPolarHBondContact O-CB 3.19Å; T376-R380 PolarHBondContact O-N 3.26Å; V377-R380 PolarHBondContact O-N 2.78Å; S378-R380 PolarHBondContact O-N 3.29Å; R380-E382 VanDerWaalsContact C-N 3.34Å; R380-E382 PolarHBondContact O-N 3.12Å; R380-T383 PolarHBondContact O-N 3.3Å; R380-I384 HydrophobicContact CG-CD1 3.77Å; R380-I384 HydrophobicContact CG-CG1 4.43Å; R380-I384 VanDerWaalsContact O-CG1 3.3Å; R380-I384 WeakPolarHBondContact O-CG1 3.48Å; R380-I384 PolarHBondContact O-N 3.24Å; R380-Q418 VanDerWaalsContact NH1-OE1 3.08Å
381	N	91.8	Very high	91	Very high	61 Å²	61	65.6 Å²	65.6	33%	0.326	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-38.6	-179	-71.9	-15.4	0	0	0	111.9	V377 S378 I384 S385 Q418	V377-N381 WeakPolarHBondContact O-CB 3.47Å; V377-N381 PolarHBondContact O-N 3.31Å; V377-N381 PolarHBondContact O-ND2 3.24Å; S378-N381 PolarHBondContact O-N 3.36Å; N381-I384 PolarHBondContact O-N 3.35Å; N381-S385 WeakPolarHBondContact O-CB 3.27Å; N381-S385 PolarHBondContact O-N 3.04Å; N381-S385 PolarHBondContact O-OG 3.06Å; N381-Q418 PolarHBondContact OD1-OE1 3.02Å
382	E	91.8	Very high	91.1	Very high	99 Å²	99	65.5 Å²	65.5	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-44.9	172.9	-170.6	-171.8	159.9	0	0	111.8	S378 K379 R380 I384 S385 K386	S378-E382 PolarHBondContact O-N 3.26Å; K379-E382 PolarHBondContact O-N 2.59Å; R380-E382 VanDerWaalsContact C-N 3.34Å; R380-E382 PolarHBondContact O-N 3.12Å; E382-I384 VanDerWaalsContact C-N 3.34Å; E382-I384 PolarHBondContact O-N 2.81Å; E382-S385 PolarHBondContact O-N 2.76Å; E382-S385 PolarHBondContact O-OG 3.15Å; E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.24Å; E382-K386 VanDerWaalsContact O-N 3.13Å; E382-K386 VanDerWaalsContact OE1-CE 3.23Å; E382-K386 WeakPolarHBondContact OE1-CE 3.34Å; E382-K386 IonicContact OE1-NZ 3.21Å; E382-K386 PolarHBondContact OE1-NZ 2.91Å
383	T	90.2	Very high	91.1	Very high	31 Å²	31	65.7 Å²	65.7	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-38.3	175.7	-64.6	0	0	0	0	112.4	V343 K379 R380 E398 K413	V343-T383 HydrophobicContact CG2-CG2 4Å; K379-T383 PolarHBondContact O-N 3.37Å; K379-T383 PolarHBondContact O-OG1 3.24Å; K379-T383 VanDerWaalsContact O-OG1 3.11Å; R380-T383 PolarHBondContact O-N 3.3Å; T383-E398 HydrophobicContact CG2-CG 4.04Å; T383-E398 WeakPolarHBondContact CG2-OE1 3.31Å; T383-K413 PolarHBondContact O-NZ 2.92Å
384	I	89.7	Confident	91.2	Very high	21 Å²	21	66 Å²	66	11%	0.108	37%	0.372	C	S	.	.	H	α-helix	trans	-71.5	-34.5	177.8	-65	169.3	0	0	0	111.2	V343 R380 N381 E382 K413 Y416	V343-I384 HydrophobicContact CG2-CG1 3.98Å; R380-I384 HydrophobicContact CG-CD1 3.77Å; R380-I384 HydrophobicContact CG-CG1 4.43Å; R380-I384 VanDerWaalsContact O-CG1 3.3Å; R380-I384 WeakPolarHBondContact O-CG1 3.48Å; R380-I384 PolarHBondContact O-N 3.24Å; N381-I384 PolarHBondContact O-N 3.35Å; E382-I384 VanDerWaalsContact C-N 3.34Å; E382-I384 PolarHBondContact O-N 2.81Å; I384-K413 VanDerWaalsContact C-NZ 3.3Å; I384-K413 PolarHBondContact O-NZ 3.05Å; I384-Y416 HydrophobicContact CG1-CD2 4.21Å; I384-Y416 HydrophobicContact CG1-CG 4.47Å
385	S	89.8	Confident	91.3	Very high	88 Å²	88	62.3 Å²	62.3	62%	0.615	35%	0.346	S	S	*	.	H	α-helix	trans	-75.2	-27.9	179.6	68.5	0	0	0	0	113.6	N381 E382 N387	N381-S385 WeakPolarHBondContact O-CB 3.27Å; N381-S385 PolarHBondContact O-N 3.04Å; N381-S385 PolarHBondContact O-OG 3.06Å; E382-S385 PolarHBondContact O-N 2.76Å; E382-S385 PolarHBondContact O-OG 3.15Å; S385-N387 PolarHBondContact O-N 2.79Å
386	K	88.2	Confident	91.4	Very high	114 Å²	114	60.4 Å²	60.4	50%	0.496	34%	0.337	S	S	.	.	S	Bend	trans	-66.8	122.1	176.2	-75.8	172.6	-177.5	170	0	111.7	E382 K413	E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.24Å; E382-K386 VanDerWaalsContact O-N 3.13Å; E382-K386 VanDerWaalsContact OE1-CE 3.23Å; E382-K386 WeakPolarHBondContact OE1-CE 3.34Å; E382-K386 IonicContact OE1-NZ 3.21Å; E382-K386 PolarHBondContact OE1-NZ 2.91Å; K386-K413 PolarHBondContact O-NZ 2.96Å
387	N	87.8	Confident	91.6	Very high	158 Å²	158	59.8 Å²	59.8	85%	0.845	33%	0.333	S	S	*	.			trans	-69.1	144	168.5	-72.3	-32.8	0	0	0	110	S385	S385-N387 PolarHBondContact O-N 2.79Å
388	V	88.5	Confident	91.7	Very high	42 Å²	42	59 Å²	59	26%	0.255	33%	0.327	S	S	.	.			trans	-96.1	115	170.4	174.6	0	0	0	0	106.5	P390 V395 F411 K413	V388-P390 WeakPolarHBondContact O-CD 3.47Å; V388-V395 HydrophobicContact CG1-CG1 4.22Å; V388-V395 HydrophobicContact CG1-CG2 4.21Å; V388-F411 HydrophobicContact CG1-CB 3.76Å; V388-F411 HydrophobicContact CG1-CG 4.41Å; V388-K413 HydrophobicContact CB-CB 4.13Å; V388-K413 HydrophobicContact CG2-CB 4.12Å; V388-K413 HydrophobicContact CG2-CD 3.87Å; V388-K413 HydrophobicContact CG2-CG 4.44Å
389	D	91.1	Very high	91.6	Very high	89 Å²	89	55.7 Å²	55.7	48%	0.476	30%	0.304	S	S	.	.			trans	-61.6	120.9	170.9	171.2	3.6	0	0	0	108.2	F391 S392	D389-F391 PolarHBondContact O-N 2.77Å; D389-F391 PolarHBondContact OD1-N 3.35Å; D389-S392 WeakPolarHBondContact CB-OG 3.09Å; D389-S392 WeakPolarHBondContact O-CB 3.42Å; D389-S392 PolarHBondContact O-N 3.48Å; D389-S392 PolarHBondContact O-OG 2.82Å
390	P	90.3	Very high	91.5	Very high	53 Å²	53	52.9 Å²	52.9	34%	0.344	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.8	179.7	-28.1	36	0	0	0	114.6	V388 G410 F411	V388-P390 WeakPolarHBondContact O-CD 3.47Å; P390-G410 CarbonylContact O-C 3.15Å; P390-G410 WeakPolarHBondContact O-CA 3.4Å; P390-F411 WeakPolarHBondContact CA-O 3.5Å; P390-F411 WeakPolarHBondContact CB-O 3.31Å; P390-F411 PolarHBondContact O-N 3Å
391	F	90.3	Very high	91.6	Very high	101 Å²	101	52.7 Å²	52.7	44%	0.443	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9.3	-177.1	-52.5	-71.4	0	0	0	113.8	T329 K333 D389 S393	T329-F391 HydrophobicContact CG2-CD1 4.38Å; T329-F391 HydrophobicContact CG2-CE1 4.31Å; K333-F391 PolarHBondContact NZ-O 3.49Å; D389-F391 PolarHBondContact O-N 2.77Å; D389-F391 PolarHBondContact OD1-N 3.35Å; F391-S393 PolarHBondContact O-N 2.95Å
392	S	92.6	Very high	91.8	Very high	31 Å²	31	52.2 Å²	52.2	22%	0.217	29%	0.287	C	S	.	.			trans	-49.3	131.8	174	-60.9	0	0	0	0	111.3	D389 F411	D389-S392 WeakPolarHBondContact CB-OG 3.09Å; D389-S392 WeakPolarHBondContact O-CB 3.42Å; D389-S392 PolarHBondContact O-N 3.48Å; D389-S392 PolarHBondContact O-OG 2.82Å; S392-F411 WeakPolarHBondContact O-CE2 3.11Å
393	S	92.3	Very high	92	Very high	63 Å²	63	47.6 Å²	47.6	44%	0.441	27%	0.265	S	S	.	.	S	Bend	trans	-69	-37.4	179.1	-54.4	0	0	0	0	112.4	K333 H334 F391	K333-S393 CarbonylContact C-O 3.36Å; K333-S393 WeakPolarHBondContact CA-O 3.37Å; H334-S393 PolarHBondContact N-O 3.02Å; F391-S393 PolarHBondContact O-N 2.95Å
394	V	95.6	Very high	92.2	Very high	58 Å²	58	46.3 Å²	46.3	35%	0.352	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.3	179	-173.7	0	0	0	0	109.2	F303 H334 V336	F303-V394 HydrophobicContact CD1-CG1 4.49Å; F303-V394 HydrophobicContact CE1-CG1 3.66Å; F303-V394 HydrophobicContact CE1-CG2 4.26Å; F303-V394 HydrophobicContact CZ-CG1 3.95Å; F303-V394 HydrophobicContact CZ-CG2 4.21Å; H334-V394 HydrophobicContact CB-CB 4.47Å; H334-V394 HydrophobicContact CB-CG1 4.35Å; H334-V394 HydrophobicContact CB-CG2 4.13Å; H334-V394 CarbonylContact O-C 3.55Å; H334-V394 WeakPolarHBondContact O-CA 3.31Å; V336-V394 HydrophobicContact CG2-CG1 3.95Å
395	V	95.6	Very high	92.3	Very high	14 Å²	14	45.5 Å²	45.5	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.6	175.5	-176.6	0	0	0	0	109.8	H334 L335 V336 V388 L401 F411	H334-V395 PolarHBondContact O-N 2.96Å; L335-V395 WeakPolarHBondContact CA-O 3.35Å; V336-V395 PolarHBondContact N-O 2.88Å; V388-V395 HydrophobicContact CG1-CG1 4.22Å; V388-V395 HydrophobicContact CG1-CG2 4.21Å; V395-L401 HydrophobicContact CB-CD2 4.49Å; V395-L401 HydrophobicContact CG1-CD2 3.49Å; V395-L401 VanDerWaalsContact CG1-CD2 3.49Å; V395-F411 HydrophobicContact CB-CD1 4.28Å; V395-F411 HydrophobicContact CB-CD2 4.48Å; V395-F411 HydrophobicContact CB-CE1 3.98Å; V395-F411 HydrophobicContact CB-CE2 4.2Å; V395-F411 HydrophobicContact CB-CZ 3.94Å; V395-F411 HydrophobicContact CG1-CD1 4.49Å; V395-F411 HydrophobicContact CG2-CD1 4.15Å; V395-F411 HydrophobicContact CG2-CD2 3.57Å; V395-F411 HydrophobicContact CG2-CE1 4.09Å; V395-F411 HydrophobicContact CG2-CE2 3.49Å; V395-F411 VanDerWaalsContact CG2-CE2 3.49Å; V395-F411 HydrophobicContact CG2-CG 3.9Å; V395-F411 HydrophobicContact CG2-CZ 3.77Å
396	T	95.2	Very high	92.3	Very high	44 Å²	44	42.5 Å²	42.5	27%	0.27	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.8	169.7	-57.7	0	0	0	0	109.8	E398	T396-E398 PolarHBondContact O-N 3.37Å
397	A	94.9	Very high	92.1	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	24%	0.238	C	C	.	.			trans	-70.8	122.8	-176.4	0	0	0	0	0	112.1	V39 N42 L335 V336 L337	V39-A397 HydrophobicContact CG1-CB 4.16Å; V39-A397 HydrophobicContact CG2-CB 3.86Å; N42-A397 HydrophobicContact CB-CB 4.27Å; N42-A397 WeakPolarHBondContact CB-O 3.23Å; N42-A397 PolarHBondContact ND2-O 3.28Å; L335-A397 HydrophobicContact CD1-CB 3.89Å; V336-A397 VanDerWaalsContact O-CB 3.31Å; V336-A397 WeakPolarHBondContact O-CB 3.45Å; V336-A397 PolarHBondContact O-N 3.02Å; L337-A397 HydrophobicContact CB-CB 4.36Å; L337-A397 HydrophobicContact CD1-CB 4.09Å; L337-A397 HydrophobicContact CD2-CB 4.46Å; L337-A397 HydrophobicContact CG-CB 3.57Å
398	E	93.5	Very high	92	Very high	19 Å²	19	41.9 Å²	41.9	9%	0.089	23%	0.225	C	C	.	.			trans	-105.1	152.9	161.7	-68.4	-65.2	175.4	0	0	108.8	V39 G341 Y342 V343 T383 T396 Y400 L401 Y416	V39-E398 WeakPolarHBondContact CB-O 3.26Å; V39-E398 WeakPolarHBondContact CG1-O 3.49Å; G341-E398 WeakPolarHBondContact CA-OE1 3.33Å; G341-E398 WeakPolarHBondContact CA-OE2 3.41Å; Y342-E398 PolarHBondContact N-OE1 3.2Å; Y342-E398 PolarHBondContact N-OE2 2.85Å; V343-E398 HydrophobicContact CB-CB 4.5Å; V343-E398 WeakPolarHBondContact CB-OE2 3.35Å; V343-E398 HydrophobicContact CG2-CB 4.47Å; V343-E398 HydrophobicContact CG2-CG 4.22Å; V343-E398 PolarHBondContact N-OE2 3Å; T383-E398 HydrophobicContact CG2-CG 4.04Å; T383-E398 WeakPolarHBondContact CG2-OE1 3.31Å; T396-E398 PolarHBondContact O-N 3.37Å; E398-Y400 PolarHBondContact O-N 2.99Å; E398-L401 VanDerWaalsContact O-CB 3.24Å; E398-L401 WeakPolarHBondContact O-CB 3.35Å; E398-L401 PolarHBondContact O-N 3.36Å; E398-L401 VanDerWaalsContact O-N 3.11Å; E398-Y416 HydrophobicContact CB-CE2 4.41Å; E398-Y416 WeakPolarHBondContact CB-OH 3.47Å
399	P	89.6	Confident	92	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.013	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	137	177.2	-26.2	36.2	0	0	0	110.8	V343 D345 L401 Y416	V343-P399 WeakPolarHBondContact O-CG 3.47Å; D345-P399 HydrophobicContact CB-CB 3.93Å; D345-P399 HydrophobicContact CB-CG 4.11Å; P399-L401 PolarHBondContact O-N 3.19Å; P399-Y416 WeakPolarHBondContact O-CE1 3.33Å; P399-Y416 PolarHBondContact O-OH 3.42Å
400	Y	91	Very high	92	Very high	13 Å²	13	37 Å²	37	5%	0.051	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	0	178.8	-52.3	-81.5	0	0	0	117.2	T38 V39 V71 Y75 D345 E398 Q402	T38-Y400 HydrophobicContact CG2-CD1 4.16Å; V39-Y400 WeakPolarHBondContact O-CA 3.37Å; V39-Y400 PolarHBondContact O-N 2.68Å; V71-Y400 HydrophobicContact CG1-CE1 4.36Å; V71-Y400 WeakPolarHBondContact CG1-OH 3.34Å; V71-Y400 PolarHBondContact O-OH 3.34Å; Y75-Y400 AromaticContact CD1-CD1 3.6Å; Y75-Y400 HydrophobicContact CD1-CD1 3.6Å; Y75-Y400 HydrophobicContact CD1-CD2 4.09Å; Y75-Y400 AromaticContact CD1-CE1 3.64Å; Y75-Y400 HydrophobicContact CD1-CE1 3.64Å; Y75-Y400 HydrophobicContact CD1-CE2 4.19Å; Y75-Y400 AromaticContact CD1-CG 3.83Å; Y75-Y400 HydrophobicContact CD1-CG 3.83Å; Y75-Y400 AromaticContact CD1-CZ 3.95Å; Y75-Y400 HydrophobicContact CD2-CD1 4.02Å; Y75-Y400 HydrophobicContact CD2-CD2 4.17Å; Y75-Y400 AromaticContact CD2-CE1 3.21Å; Y75-Y400 HydrophobicContact CD2-CE1 3.21Å; Y75-Y400 AromaticContact CD2-CE2 3.45Å; Y75-Y400 HydrophobicContact CD2-CE2 3.45Å; Y75-Y400 VanDerWaalsContact CD2-CE2 3.45Å; Y75-Y400 HydrophobicContact CD2-CG 4.43Å; Y75-Y400 AromaticContact CD2-CZ 2.86Å; Y75-Y400 WeakPolarHBondContact CD2-OH 3.35Å; Y75-Y400 AromaticContact CE1-CD1 3.88Å; Y75-Y400 HydrophobicContact CE1-CD1 3.88Å; Y75-Y400 AromaticContact CE1-CD2 3.49Å; Y75-Y400 HydrophobicContact CE1-CD2 3.49Å; Y75-Y400 VanDerWaalsContact CE1-CD2 3.49Å; Y75-Y400 HydrophobicContact CE1-CE1 4.05Å; Y75-Y400 AromaticContact CE1-CE2 3.74Å; Y75-Y400 HydrophobicContact CE1-CE2 3.74Å; Y75-Y400 AromaticContact CE1-CG 3.6Å; Y75-Y400 HydrophobicContact CE1-CG 3.6Å; Y75-Y400 AromaticContact CE1-CZ 3.98Å; Y75-Y400 HydrophobicContact CE2-CD1 4.28Å; Y75-Y400 AromaticContact CE2-CD2 3.58Å; Y75-Y400 HydrophobicContact CE2-CD2 3.58Å; Y75-Y400 AromaticContact CE2-CE1 3.66Å; Y75-Y400 HydrophobicContact CE2-CE1 3.66Å; Y75-Y400 AromaticContact CE2-CE2 2.88Å; Y75-Y400 HydrophobicContact CE2-CE2 2.88Å; Y75-Y400 HydrophobicContact CE2-CG 4.24Å; Y75-Y400 AromaticContact CE2-CZ 2.9Å; Y75-Y400 WeakPolarHBondContact CE2-OH 3.27Å; Y75-Y400 AromaticContact CG-CD1 3.64Å; Y75-Y400 HydrophobicContact CG-CD1 3.64Å; Y75-Y400 HydrophobicContact CG-CD2 4.37Å; Y75-Y400 AromaticContact CG-CE1 3.15Å; Y75-Y400 HydrophobicContact CG-CE1 3.15Å; Y75-Y400 HydrophobicContact CG-CE2 4.04Å; Y75-Y400 HydrophobicContact CG-CG 4.21Å; Y75-Y400 AromaticContact CG-CZ 3.4Å; Y75-Y400 AromaticContact CZ-CD2 3.16Å; Y75-Y400 AromaticContact CZ-CE2 3.03Å; Y75-Y400 AromaticContact CZ-CG 3.79Å; Y75-Y400 AromaticContact CZ-CZ 3.47Å; Y75-Y400 VanDerWaalsContact CZ-CZ 3.47Å; Y75-Y400 VanDerWaalsContact OH-CD2 3.25Å; Y75-Y400 WeakPolarHBondContact OH-CD2 3.22Å; Y75-Y400 VanDerWaalsContact OH-CE2 3.28Å; Y75-Y400 WeakPolarHBondContact OH-CE2 3.5Å; D345-Y400 HydrophobicContact CB-CE2 4.1Å; E398-Y400 PolarHBondContact O-N 2.99Å; Y400-Q402 PolarHBondContact O-N 3.27Å; Y400-Q402 VanDerWaalsContact O-N 3.12Å
401	L	94.5	Very high	92.2	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.184	C	C	.	.			trans	-50.7	126.2	165.9	178.6	66.9	0	0	0	108.4	V39 L335 V395 E398 P399 F411 K413	V39-L401 HydrophobicContact CG2-CB 4.07Å; V39-L401 PolarHBondContact N-O 3.18Å; L335-L401 HydrophobicContact CD1-CD2 3.72Å; V395-L401 HydrophobicContact CB-CD2 4.49Å; V395-L401 HydrophobicContact CG1-CD2 3.49Å; V395-L401 VanDerWaalsContact CG1-CD2 3.49Å; E398-L401 VanDerWaalsContact O-CB 3.24Å; E398-L401 WeakPolarHBondContact O-CB 3.35Å; E398-L401 PolarHBondContact O-N 3.36Å; E398-L401 VanDerWaalsContact O-N 3.11Å; P399-L401 PolarHBondContact O-N 3.19Å; L401-F411 HydrophobicContact CD2-CD1 4.29Å; L401-F411 HydrophobicContact CG-CD1 4.47Å; L401-K413 HydrophobicContact CD1-CB 4.42Å
402	Q	95.1	Very high	92.3	Very high	50 Å²	50	33 Å²	33	23%	0.234	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.6	-178.1	-173.8	-177.8	62.5	0	0	109.7	S36 L37 Y400 F411 N412	S36-Q402 PolarHBondContact OG-NE2 3.35Å; L37-Q402 CarbonylContact O-C 3.5Å; L37-Q402 WeakPolarHBondContact O-CA 3.49Å; L37-Q402 VanDerWaalsContact O-CG 3.26Å; L37-Q402 WeakPolarHBondContact O-CG 3.31Å; Y400-Q402 PolarHBondContact O-N 3.27Å; Y400-Q402 VanDerWaalsContact O-N 3.12Å; Q402-F411 CarbonylContact O-C 3.55Å; Q402-F411 WeakPolarHBondContact O-CA 3.4Å; Q402-N412 HydrophobicContact CB-CB 4.28Å; Q402-N412 PolarHBondContact N-O 3.11Å; Q402-N412 PolarHBondContact O-N 2.92Å
403	F	95.7	Very high	92.1	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.2	160.9	-173.6	-90.1	0	0	0	108.1	S36 L37 L293 K333 L405 T409 F411	S36-F403 CarbonylContact C-O 3.05Å; S36-F403 WeakPolarHBondContact CA-O 3.32Å; L37-F403 HydrophobicContact CD1-CB 4.34Å; L37-F403 HydrophobicContact CD1-CD1 3.97Å; L37-F403 PolarHBondContact N-O 3.37Å; L37-F403 PolarHBondContact O-N 3.41Å; L293-F403 HydrophobicContact CB-CE1 4.07Å; L293-F403 HydrophobicContact CB-CZ 4.25Å; L293-F403 HydrophobicContact CD1-CD1 4.44Å; L293-F403 HydrophobicContact CD1-CD2 4.07Å; L293-F403 HydrophobicContact CD1-CE1 4.43Å; L293-F403 HydrophobicContact CD1-CE2 4.07Å; L293-F403 HydrophobicContact CD1-CG 4.22Å; L293-F403 HydrophobicContact CD1-CZ 4.23Å; L293-F403 HydrophobicContact CD2-CB 4.23Å; L293-F403 HydrophobicContact CD2-CD1 3.61Å; L293-F403 HydrophobicContact CD2-CE1 3.98Å; L293-F403 HydrophobicContact CD2-CG 3.88Å; L293-F403 HydrophobicContact CG-CD1 4.42Å; L293-F403 HydrophobicContact CG-CE1 4.38Å; K333-F403 HydrophobicContact CB-CE2 4.08Å; K333-F403 HydrophobicContact CB-CZ 4.39Å; K333-F403 HydrophobicContact CG-CE2 4.08Å; K333-F403 HydrophobicContact CG-CZ 4.25Å; F403-L405 HydrophobicContact CE1-CD1 3.9Å; F403-T409 HydrophobicContact CE1-CG2 3.8Å; F403-T409 HydrophobicContact CE2-CG2 4.4Å; F403-T409 HydrophobicContact CZ-CG2 3.48Å; F403-T409 VanDerWaalsContact CZ-CG2 3.48Å; F403-F411 HydrophobicContact CB-CD1 4.33Å; F403-F411 HydrophobicContact CB-CE1 4.35Å; F403-F411 AromaticContact CD2-CD1 3.72Å; F403-F411 HydrophobicContact CD2-CD1 3.72Å; F403-F411 HydrophobicContact CD2-CD2 4.12Å; F403-F411 AromaticContact CD2-CE1 3.61Å; F403-F411 HydrophobicContact CD2-CE1 3.61Å; F403-F411 HydrophobicContact CD2-CE2 4.02Å; F403-F411 AromaticContact CD2-CG 3.98Å; F403-F411 HydrophobicContact CD2-CG 3.98Å; F403-F411 AromaticContact CD2-CZ 3.78Å; F403-F411 HydrophobicContact CD2-CZ 3.78Å; F403-F411 HydrophobicContact CE2-CD2 4.3Å; F403-F411 HydrophobicContact CE2-CE1 4.4Å; F403-F411 HydrophobicContact CE2-CE2 4.06Å; F403-F411 HydrophobicContact CE2-CZ 4.12Å; F403-F411 HydrophobicContact CG-CE1 4.43Å
404	S	94.3	Very high	91.9	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.3	171.8	-65.4	0	0	0	0	108.2	W408 T409 G410	S404-W408 CarbonylContact C-O 3.49Å; S404-W408 WeakPolarHBondContact CB-O 3.34Å; S404-T409 CarbonylContact O-C 3.49Å; S404-T409 WeakPolarHBondContact O-CA 3.3Å; S404-G410 PolarHBondContact N-O 3.49Å; S404-G410 PolarHBondContact O-N 3.36Å
405	L	91.8	Very high	91.5	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-39.4	174.8	-167.7	75.2	0	0	0	110.3	I35 L37 P195 K252 M254 F403 W408 T409	I35-L405 HydrophobicContact CB-CB 4.11Å; I35-L405 HydrophobicContact CB-CD2 4.11Å; I35-L405 HydrophobicContact CD1-CD2 4.26Å; I35-L405 HydrophobicContact CG2-CB 4.13Å; I35-L405 HydrophobicContact CG2-CD2 3.76Å; I35-L405 WeakPolarHBondContact O-CA 3.36Å; I35-L405 WeakPolarHBondContact O-CB 3.07Å; I35-L405 PolarHBondContact O-N 3.28Å; L37-L405 HydrophobicContact CD1-CB 4.49Å; P195-L405 HydrophobicContact CG-CD2 3.77Å; K252-L405 HydrophobicContact CB-CD1 3.47Å; K252-L405 VanDerWaalsContact CB-CD1 3.47Å; K252-L405 HydrophobicContact CB-CG 4.09Å; K252-L405 WeakPolarHBondContact O-CD2 3.44Å; M254-L405 HydrophobicContact CE-CD2 4.43Å; M254-L405 HydrophobicContact CG-CD1 4.28Å; M254-L405 HydrophobicContact CG-CD2 4.14Å; M254-L405 HydrophobicContact SD-CD2 3.81Å; F403-L405 HydrophobicContact CE1-CD1 3.9Å; L405-W408 CarbonylContact C-O 3.52Å; L405-T409 PolarHBondContact O-OG1 3.47Å
406	R	90.3	Very high	90.9	Very high	25 Å²	25	36.7 Å²	36.7	9%	0.094	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.3	174.6	-59.8	-179.8	-176.6	169.3	-0.9	110.7	P32 H33 I35 P195 F196	P32-R406 PolarHBondContact O-NH1 3.35Å; H33-R406 WeakPolarHBondContact O-CB 3.4Å; I35-R406 PolarHBondContact N-O 3.29Å; I35-R406 PolarHBondContact O-N 2.97Å; I35-R406 VanDerWaalsContact O-N 3.1Å; P195-R406 PolarHBondContact O-NH2 3.47Å; F196-R406 VanDerWaalsContact O-CZ 3.28Å; F196-R406 PolarHBondContact O-NH1 2.9Å; F196-R406 PolarHBondContact O-NH2 3.42Å
407	P	84.7	Confident	90.1	Very high	106 Å²	106	36.5 Å²	36.5	69%	0.688	19%	0.193	S	C	*	.	S	Bend	cis	-83.4	-20.4	4.8	30.2	-31.7	0	0	0	114.4
408	W	85.9	Confident	89.4	Confident	152 Å²	152	39.3 Å²	39.3	58%	0.576	21%	0.206	S	C	*	.	S	Bend	trans	-108.2	162.7	167.6	74.7	93.4	0	0	0	110.1	S404 L405	S404-W408 CarbonylContact C-O 3.49Å; S404-W408 WeakPolarHBondContact CB-O 3.34Å; L405-W408 CarbonylContact C-O 3.52Å
409	T	87.5	Confident	89.2	Confident	27 Å²	27	39.2 Å²	39.2	17%	0.166	21%	0.206	C	C	.	.			trans	-110.6	134	178.6	-49.6	0	0	0	0	111	K252 F403 S404 L405	K252-T409 HydrophobicContact CD-CG2 3.77Å; K252-T409 WeakPolarHBondContact CD-OG1 3.36Å; K252-T409 VanDerWaalsContact CE-OG1 3.27Å; K252-T409 WeakPolarHBondContact CE-OG1 3.23Å; K252-T409 PolarHBondContact NZ-OG1 2.94Å; F403-T409 HydrophobicContact CE1-CG2 3.8Å; F403-T409 HydrophobicContact CE2-CG2 4.4Å; F403-T409 HydrophobicContact CZ-CG2 3.48Å; F403-T409 VanDerWaalsContact CZ-CG2 3.48Å; S404-T409 CarbonylContact O-C 3.49Å; S404-T409 WeakPolarHBondContact O-CA 3.3Å; L405-T409 PolarHBondContact O-OG1 3.47Å
410	G	92.1	Very high	89.2	Confident	2 Å²	2	42.5 Å²	42.5	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.1	166.7	171	0	0	0	0	0	113.2	P390 S404	P390-G410 CarbonylContact O-C 3.15Å; P390-G410 WeakPolarHBondContact O-CA 3.4Å; S404-G410 PolarHBondContact N-O 3.49Å; S404-G410 PolarHBondContact O-N 3.36Å
411	F	94.7	Very high	89.1	Confident	5 Å²	5	42.5 Å²	42.5	2%	0.022	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.8	171.3	-66.6	-77.2	0	0	0	110.7	L293 K333 L335 V388 P390 S392 V395 L401 Q402 F403	L293-F411 HydrophobicContact CD1-CZ 4.37Å; K333-F411 HydrophobicContact CB-CE2 4.21Å; K333-F411 HydrophobicContact CB-CZ 4.39Å; L335-F411 HydrophobicContact CB-CE1 4.22Å; L335-F411 HydrophobicContact CB-CZ 4.46Å; L335-F411 HydrophobicContact CD1-CE1 4.14Å; V388-F411 HydrophobicContact CG1-CB 3.76Å; V388-F411 HydrophobicContact CG1-CG 4.41Å; P390-F411 WeakPolarHBondContact CA-O 3.5Å; P390-F411 WeakPolarHBondContact CB-O 3.31Å; P390-F411 PolarHBondContact O-N 3Å; S392-F411 WeakPolarHBondContact O-CE2 3.11Å; V395-F411 HydrophobicContact CB-CD1 4.28Å; V395-F411 HydrophobicContact CB-CD2 4.48Å; V395-F411 HydrophobicContact CB-CE1 3.98Å; V395-F411 HydrophobicContact CB-CE2 4.2Å; V395-F411 HydrophobicContact CB-CZ 3.94Å; V395-F411 HydrophobicContact CG1-CD1 4.49Å; V395-F411 HydrophobicContact CG2-CD1 4.15Å; V395-F411 HydrophobicContact CG2-CD2 3.57Å; V395-F411 HydrophobicContact CG2-CE1 4.09Å; V395-F411 HydrophobicContact CG2-CE2 3.49Å; V395-F411 VanDerWaalsContact CG2-CE2 3.49Å; V395-F411 HydrophobicContact CG2-CG 3.9Å; V395-F411 HydrophobicContact CG2-CZ 3.77Å; L401-F411 HydrophobicContact CD2-CD1 4.29Å; L401-F411 HydrophobicContact CG-CD1 4.47Å; Q402-F411 CarbonylContact O-C 3.55Å; Q402-F411 WeakPolarHBondContact O-CA 3.4Å; F403-F411 HydrophobicContact CB-CD1 4.33Å; F403-F411 HydrophobicContact CB-CE1 4.35Å; F403-F411 AromaticContact CD2-CD1 3.72Å; F403-F411 HydrophobicContact CD2-CD1 3.72Å; F403-F411 HydrophobicContact CD2-CD2 4.12Å; F403-F411 AromaticContact CD2-CE1 3.61Å; F403-F411 HydrophobicContact CD2-CE1 3.61Å; F403-F411 HydrophobicContact CD2-CE2 4.02Å; F403-F411 AromaticContact CD2-CG 3.98Å; F403-F411 HydrophobicContact CD2-CG 3.98Å; F403-F411 AromaticContact CD2-CZ 3.78Å; F403-F411 HydrophobicContact CD2-CZ 3.78Å; F403-F411 HydrophobicContact CE2-CD2 4.3Å; F403-F411 HydrophobicContact CE2-CE1 4.4Å; F403-F411 HydrophobicContact CE2-CE2 4.06Å; F403-F411 HydrophobicContact CE2-CZ 4.12Å; F403-F411 HydrophobicContact CG-CE1 4.43Å
412	N	91.8	Very high	89	Confident	66 Å²	66	48.5 Å²	48.5	35%	0.353	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	108	174.8	-175.2	-2.8	0	0	0	107.7	Q402	Q402-N412 HydrophobicContact CB-CB 4.28Å; Q402-N412 PolarHBondContact N-O 3.11Å; Q402-N412 PolarHBondContact O-N 2.92Å
413	K	89.2	Confident	88.8	Confident	42 Å²	42	49.1 Å²	49.1	18%	0.183	26%	0.263	C	S	.	.			trans	-78.3	120.9	174.1	177.8	174.1	168.3	172.2	0	108.4	T383 I384 K386 V388 L401 Y416	T383-K413 PolarHBondContact O-NZ 2.92Å; I384-K413 VanDerWaalsContact C-NZ 3.3Å; I384-K413 PolarHBondContact O-NZ 3.05Å; K386-K413 PolarHBondContact O-NZ 2.96Å; V388-K413 HydrophobicContact CB-CB 4.13Å; V388-K413 HydrophobicContact CG2-CB 4.12Å; V388-K413 HydrophobicContact CG2-CD 3.87Å; V388-K413 HydrophobicContact CG2-CG 4.44Å; L401-K413 HydrophobicContact CD1-CB 4.42Å; K413-Y416 HydrophobicContact CD-CE2 4.13Å; K413-Y416 HydrophobicContact CG-CD2 4.35Å; K413-Y416 HydrophobicContact CG-CE2 3.79Å
414	P	87.5	Confident	88.7	Confident	42 Å²	42	49.1 Å²	49.1	27%	0.273	26%	0.263	S	S	.	.			trans	-68.5	162.1	174.4	33.4	-38.3	0	0	0	110.3	Y416	P414-Y416 HydrophobicContact CG-CD1 4.06Å; P414-Y416 HydrophobicContact CG-CE1 3.39Å; P414-Y416 PolarHBondContact O-N 3.42Å
415	T	85.8	Confident	88.7	Confident	142 Å²	142	49.7 Å²	49.7	87%	0.871	27%	0.266	S	S	*	.			trans	-69.4	102.9	167.9	-52.1	0	0	0	0	108.9	P417	T415-P417 WeakPolarHBondContact O-CD 3.34Å
416	Y	84.7	Confident	88.7	Confident	16 Å²	16	53.4 Å²	53.4	6%	0.063	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-73	122.4	173	-64.6	-53	0	0	0	109.5	V343 I384 E398 P399 K413 P414	V343-Y416 HydrophobicContact CG1-CD1 3.75Å; V343-Y416 HydrophobicContact CG1-CD2 4.43Å; V343-Y416 HydrophobicContact CG1-CE1 4.09Å; V343-Y416 HydrophobicContact CG1-CG 3.97Å; V343-Y416 HydrophobicContact CG2-CD2 4.26Å; V343-Y416 HydrophobicContact CG2-CE2 4.34Å; I384-Y416 HydrophobicContact CG1-CD2 4.21Å; I384-Y416 HydrophobicContact CG1-CG 4.47Å; E398-Y416 HydrophobicContact CB-CE2 4.41Å; E398-Y416 WeakPolarHBondContact CB-OH 3.47Å; P399-Y416 WeakPolarHBondContact O-CE1 3.33Å; P399-Y416 PolarHBondContact O-OH 3.42Å; K413-Y416 HydrophobicContact CD-CE2 4.13Å; K413-Y416 HydrophobicContact CG-CD2 4.35Å; K413-Y416 HydrophobicContact CG-CE2 3.79Å; P414-Y416 HydrophobicContact CG-CD1 4.06Å; P414-Y416 HydrophobicContact CG-CE1 3.39Å; P414-Y416 PolarHBondContact O-N 3.42Å
417	P	76.6	Confident	88.7	Confident	40 Å²	40	57.3 Å²	57.3	26%	0.26	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.5	139.8	172.7	28.9	-34.2	0	0	0	109	V347 T415	V347-P417 HydrophobicContact CB-CG 4.02Å; V347-P417 HydrophobicContact CG1-CB 4.01Å; V347-P417 HydrophobicContact CG1-CG 3.58Å; V347-P417 HydrophobicContact CG2-CG 3.4Å; V347-P417 VanDerWaalsContact CG2-CG 3.4Å; T415-P417 WeakPolarHBondContact O-CD 3.34Å
418	Q	81.9	Confident	89	Confident	62 Å²	62	53.5 Å²	53.5	29%	0.29	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-74.9	141.4	174.5	-66.4	-67.4	-6.5	0	0	109	R380 N381 N420	R380-Q418 VanDerWaalsContact NH1-OE1 3.08Å; N381-Q418 PolarHBondContact OD1-OE1 3.02Å; Q418-N420 HydrophobicContact CB-CB 4.02Å; Q418-N420 PolarHBondContact O-N 3.03Å
419	L	89.6	Confident	89.5	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.084	26%	0.26	C	S	.	.			trans	-76.6	65.3	164.7	-51.5	-178.6	0	0	0	108.7	T344 Y350 D370 M371 F424	T344-L419 HydrophobicContact CG2-CD1 3.82Å; T344-L419 HydrophobicContact CG2-CD2 3.88Å; T344-L419 HydrophobicContact CG2-CG 4.23Å; Y350-L419 HydrophobicContact CD1-CD1 3.8Å; Y350-L419 HydrophobicContact CD1-CD2 4.44Å; Y350-L419 HydrophobicContact CE1-CD1 4.01Å; Y350-L419 HydrophobicContact CG-CD1 4.18Å; Y350-L419 HydrophobicContact CG-CD2 4.05Å; D370-L419 HydrophobicContact CB-CD1 3.96Å; M371-L419 HydrophobicContact CG-CB 3.97Å; M371-L419 HydrophobicContact CG-CD1 4.18Å; M371-L419 HydrophobicContact SD-CB 4.45Å; L419-F424 HydrophobicContact CB-CE2 4.49Å; L419-F424 HydrophobicContact CB-CZ 4.35Å; L419-F424 HydrophobicContact CD2-CZ 3.83Å
420	N	88.6	Confident	89.6	Confident	71 Å²	71	47.9 Å²	47.9	38%	0.38	27%	0.265	S	S	.	.			trans	-108.1	124.9	-179.7	-178.2	-53.1	0	0	0	108.9	Q418 D422 E423 F424	Q418-N420 HydrophobicContact CB-CB 4.02Å; Q418-N420 PolarHBondContact O-N 3.03Å; N420-D422 PolarHBondContact O-N 2.89Å; N420-D422 WeakPolarHBondContact OD1-CA 3.38Å; N420-D422 WeakPolarHBondContact OD1-CB 3.24Å; N420-D422 PolarHBondContact OD1-N 3.25Å; N420-E423 HydrophobicContact CB-CB 3.93Å; N420-E423 PolarHBondContact O-N 2.96Å; N420-E423 PolarHBondContact OD1-N 2.65Å; N420-E423 VanDerWaalsContact OD1-N 3.15Å; N420-F424 WeakPolarHBondContact O-CD2 3.43Å; N420-F424 WeakPolarHBondContact O-CG 3.41Å; N420-F424 PolarHBondContact O-N 3.18Å
421	G	89	Confident	89.7	Confident	14 Å²	14	52.8 Å²	52.8	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-45.4	-179	0	0	0	0	0	114	F354 E423 F424 V425	F354-G421 WeakPolarHBondContact CE1-O 3.47Å; G421-E423 VanDerWaalsContact C-N 3.33Å; G421-E423 PolarHBondContact O-N 2.76Å; G421-F424 PolarHBondContact O-N 3.03Å; G421-V425 VanDerWaalsContact O-CG2 3.28Å; G421-V425 WeakPolarHBondContact O-CG2 3.39Å; G421-V425 PolarHBondContact O-N 2.73Å
422	D	91.5	Very high	89.7	Confident	129 Å²	129	59 Å²	59	69%	0.69	33%	0.328	S	S	*	.	H	α-helix	trans	-66.6	-37.7	-179.9	-59	-34.6	0	0	0	111	N420 V425 S426	N420-D422 PolarHBondContact O-N 2.89Å; N420-D422 WeakPolarHBondContact OD1-CA 3.38Å; N420-D422 WeakPolarHBondContact OD1-CB 3.24Å; N420-D422 PolarHBondContact OD1-N 3.25Å; D422-V425 PolarHBondContact O-N 3.11Å; D422-S426 WeakPolarHBondContact O-CB 3.21Å; D422-S426 PolarHBondContact O-N 2.86Å; D422-S426 PolarHBondContact O-OG 3.45Å
423	E	91	Very high	89.7	Confident	64 Å²	64	59.8 Å²	59.8	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-45.8	173.1	-165.6	-176.1	162	0	0	110.8	N420 G421 V425 S426 Q427	N420-E423 HydrophobicContact CB-CB 3.93Å; N420-E423 PolarHBondContact O-N 2.96Å; N420-E423 PolarHBondContact OD1-N 2.65Å; N420-E423 VanDerWaalsContact OD1-N 3.15Å; G421-E423 VanDerWaalsContact C-N 3.33Å; G421-E423 PolarHBondContact O-N 2.76Å; E423-V425 PolarHBondContact O-N 2.67Å; E423-S426 PolarHBondContact O-N 2.97Å; E423-S426 PolarHBondContact O-OG 2.77Å; E423-Q427 VanDerWaalsContact O-CG 3.31Å; E423-Q427 WeakPolarHBondContact O-CG 3.29Å; E423-Q427 PolarHBondContact O-N 3.03Å; E423-Q427 PolarHBondContact OE1-NE2 2.95Å
424	F	93.8	Very high	90	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-42.1	176.3	-65.8	-30.6	0	0	0	113.1	V347 F354 M371 L419 N420 G421 Q427 I428	V347-F424 HydrophobicContact CG1-CE1 3.98Å; V347-F424 HydrophobicContact CG1-CZ 4.34Å; F354-F424 HydrophobicContact CB-CD2 3.94Å; F354-F424 HydrophobicContact CD1-CB 4.36Å; F354-F424 HydrophobicContact CD1-CD2 4.34Å; F354-F424 HydrophobicContact CG-CD2 4.1Å; M371-F424 HydrophobicContact SD-CE2 4.08Å; L419-F424 HydrophobicContact CB-CE2 4.49Å; L419-F424 HydrophobicContact CB-CZ 4.35Å; L419-F424 HydrophobicContact CD2-CZ 3.83Å; N420-F424 WeakPolarHBondContact O-CD2 3.43Å; N420-F424 WeakPolarHBondContact O-CG 3.41Å; N420-F424 PolarHBondContact O-N 3.18Å; G421-F424 PolarHBondContact O-N 3.03Å; F424-Q427 PolarHBondContact O-N 3.31Å; F424-I428 WeakPolarHBondContact O-CB 3.4Å; F424-I428 WeakPolarHBondContact O-CD1 3.28Å; F424-I428 VanDerWaalsContact O-CG1 3.24Å; F424-I428 WeakPolarHBondContact O-CG1 3.42Å; F424-I428 PolarHBondContact O-N 2.98Å; F424-I428 VanDerWaalsContact O-N 3.17Å
425	V	94.9	Very high	90.5	Very high	18 Å²	18	58.4 Å²	58.4	11%	0.109	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-50.5	176	171.1	0	0	0	0	109.8	F354 I355 F359 G421 D422 E423 Q427 I428 F429 L436	F354-V425 HydrophobicContact CE1-CG2 3.96Å; I355-V425 HydrophobicContact CD1-CG2 3.89Å; F359-V425 HydrophobicContact CE2-CG2 4.07Å; F359-V425 HydrophobicContact CZ-CG1 4.47Å; F359-V425 HydrophobicContact CZ-CG2 4.22Å; G421-V425 VanDerWaalsContact O-CG2 3.28Å; G421-V425 WeakPolarHBondContact O-CG2 3.39Å; G421-V425 PolarHBondContact O-N 2.73Å; D422-V425 PolarHBondContact O-N 3.11Å; E423-V425 PolarHBondContact O-N 2.67Å; V425-Q427 VanDerWaalsContact C-N 3.3Å; V425-Q427 PolarHBondContact O-N 3.3Å; V425-I428 PolarHBondContact O-N 3.11Å; V425-F429 HydrophobicContact CG1-CD2 3.79Å; V425-F429 HydrophobicContact CG1-CE2 4.15Å; V425-F429 WeakPolarHBondContact O-CD2 2.87Å; V425-F429 PolarHBondContact O-N 3.03Å; V425-F429 VanDerWaalsContact O-N 3.08Å; V425-L436 HydrophobicContact CG1-CD1 3.85Å; V425-L436 HydrophobicContact CG1-CD2 3.85Å; V425-L436 HydrophobicContact CG1-CG 4.43Å
426	S	91.6	Very high	91	Very high	82 Å²	82	54.6 Å²	54.6	57%	0.573	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-33.5	-180	71.5	0	0	0	0	113.9	D422 E423	D422-S426 WeakPolarHBondContact O-CB 3.21Å; D422-S426 PolarHBondContact O-N 2.86Å; D422-S426 PolarHBondContact O-OG 3.45Å; E423-S426 PolarHBondContact O-N 2.97Å; E423-S426 PolarHBondContact O-OG 2.77Å
427	Q	89.7	Confident	91.6	Very high	107 Å²	107	60.2 Å²	60.2	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-76.4	-24.2	178.4	-73	177.7	9.4	0	0	113.6	E423 F424 V425	E423-Q427 VanDerWaalsContact O-CG 3.31Å; E423-Q427 WeakPolarHBondContact O-CG 3.29Å; E423-Q427 PolarHBondContact O-N 3.03Å; E423-Q427 PolarHBondContact OE1-NE2 2.95Å; F424-Q427 PolarHBondContact O-N 3.31Å; V425-Q427 VanDerWaalsContact C-N 3.3Å; V425-Q427 PolarHBondContact O-N 3.3Å
428	I	91.7	Very high	92.5	Very high	25 Å²	25	62.9 Å²	62.9	13%	0.128	33%	0.331	C	S	.	.	H	α-helix	trans	-93.1	-43.3	-173.4	-73.8	174.6	0	0	0	111.7	S351 I355 F424 V425 D430 A784	S351-I428 WeakPolarHBondContact OG-CD1 3.36Å; I355-I428 HydrophobicContact CD1-CD1 3.86Å; I355-I428 HydrophobicContact CG1-CD1 3.29Å; F424-I428 WeakPolarHBondContact O-CB 3.4Å; F424-I428 WeakPolarHBondContact O-CD1 3.28Å; F424-I428 VanDerWaalsContact O-CG1 3.24Å; F424-I428 WeakPolarHBondContact O-CG1 3.42Å; F424-I428 PolarHBondContact O-N 2.98Å; F424-I428 VanDerWaalsContact O-N 3.17Å; V425-I428 PolarHBondContact O-N 3.11Å; I428-D430 VanDerWaalsContact C-N 3.31Å; I428-D430 PolarHBondContact O-N 2.96Å; I428-D430 VanDerWaalsContact O-N 3.12Å; I428-A784 WeakPolarHBondContact CG2-O 3.37Å
429	F	95.5	Very high	93.3	Very high	11 Å²	11	60 Å²	60	5%	0.048	32%	0.317	C	S	.	.			trans	-89.1	70.1	180	-61.4	-71	0	0	0	111.2	I355 F359 V425 M434 L436 A439 F443	I355-F429 HydrophobicContact CD1-CE2 4.22Å; F359-F429 HydrophobicContact CD2-CE2 4.34Å; F359-F429 HydrophobicContact CD2-CZ 4.26Å; F359-F429 AromaticContact CE2-CE2 3.57Å; F359-F429 HydrophobicContact CE2-CE2 3.57Å; F359-F429 AromaticContact CE2-CZ 3.92Å; F359-F429 HydrophobicContact CE2-CZ 3.92Å; F359-F429 AromaticContact CZ-CE2 3.74Å; F359-F429 HydrophobicContact CZ-CE2 3.74Å; F359-F429 HydrophobicContact CZ-CZ 4.18Å; V425-F429 HydrophobicContact CG1-CD2 3.79Å; V425-F429 HydrophobicContact CG1-CE2 4.15Å; V425-F429 WeakPolarHBondContact O-CD2 2.87Å; V425-F429 PolarHBondContact O-N 3.03Å; V425-F429 VanDerWaalsContact O-N 3.08Å; F429-M434 CarbonylContact C-O 3.59Å; F429-M434 VanDerWaalsContact CA-O 3.26Å; F429-M434 WeakPolarHBondContact CA-O 3.26Å; F429-M434 HydrophobicContact CD1-CG 4.23Å; F429-L436 HydrophobicContact CB-CB 4.08Å; F429-L436 HydrophobicContact CD2-CD1 3.74Å; F429-L436 HydrophobicContact CE2-CD1 3.92Å; F429-L436 HydrophobicContact CG-CB 4.34Å; F429-L436 HydrophobicContact CG-CD1 4.23Å; F429-A439 HydrophobicContact CD1-CB 3.64Å; F429-A439 HydrophobicContact CE1-CB 3.32Å; F429-A439 HydrophobicContact CZ-CB 4.15Å; F429-F443 HydrophobicContact CE1-CE2 4.22Å; F429-F443 HydrophobicContact CE1-CZ 4.27Å; F429-F443 AromaticContact CZ-CE2 3.93Å; F429-F443 HydrophobicContact CZ-CE2 3.93Å; F429-F443 HydrophobicContact CZ-CZ 4.16Å
430	D	90.8	Very high	93.7	Very high	51 Å²	51	63.3 Å²	63.3	27%	0.273	33%	0.332	S	S	.	.			trans	-76.5	120.2	172.3	-179.5	-19	0	0	0	109.6	I428 I432 Y433 M434	I428-D430 VanDerWaalsContact C-N 3.31Å; I428-D430 PolarHBondContact O-N 2.96Å; I428-D430 VanDerWaalsContact O-N 3.12Å; D430-I432 PolarHBondContact O-N 2.74Å; D430-I432 WeakPolarHBondContact OD1-CB 3.16Å; D430-I432 WeakPolarHBondContact OD1-CG1 3.36Å; D430-I432 PolarHBondContact OD1-N 2.81Å; D430-Y433 HydrophobicContact CB-CD2 4.17Å; D430-Y433 PolarHBondContact O-N 2.81Å; D430-M434 CarbonylContact C-O 3.58Å; D430-M434 PolarHBondContact N-O 3.42Å; D430-M434 CarbonylContact O-C 3.58Å; D430-M434 PolarHBondContact O-N 2.73Å; D430-M434 VanDerWaalsContact O-O 3.09Å
431	P	93.7	Very high	94.1	Very high	104 Å²	104	64.5 Å²	64.5	68%	0.675	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.3	-180	-26.6	35.1	0	0	0	115.5	Y433	P431-Y433 PolarHBondContact O-N 3.47Å
432	I	94	Very high	94.5	Very high	135 Å²	135	65.7 Å²	65.7	69%	0.692	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-32.2	172.3	-65.4	171.9	0	0	0	111.4	D430	D430-I432 PolarHBondContact O-N 2.74Å; D430-I432 WeakPolarHBondContact OD1-CB 3.16Å; D430-I432 WeakPolarHBondContact OD1-CG1 3.36Å; D430-I432 PolarHBondContact OD1-N 2.81Å
433	Y	93.3	Very high	94.8	Very high	83 Å²	83	59.6 Å²	59.6	33%	0.325	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-42.9	-177	-57.4	-78.3	0	0	0	113	D430 P431 K787 N790	D430-Y433 HydrophobicContact CB-CD2 4.17Å; D430-Y433 PolarHBondContact O-N 2.81Å; P431-Y433 PolarHBondContact O-N 3.47Å; Y433-K787 HydrophobicContact CD1-CB 4.36Å; Y433-K787 HydrophobicContact CD2-CB 3.84Å; Y433-K787 HydrophobicContact CD2-CD 4.26Å; Y433-K787 HydrophobicContact CD2-CG 4.07Å; Y433-K787 HydrophobicContact CE1-CG 4.33Å; Y433-K787 HydrophobicContact CE2-CB 4.06Å; Y433-K787 HydrophobicContact CE2-CD 3.8Å; Y433-K787 HydrophobicContact CE2-CG 3.74Å; Y433-K787 HydrophobicContact CG-CB 3.99Å; Y433-K787 HydrophobicContact CG-CG 4.48Å; Y433-N790 HydrophobicContact CD1-CB 4.34Å
434	M	95.3	Very high	95.1	Very high	29 Å²	29	59.4 Å²	59.4	14%	0.143	31%	0.308	C	S	.	.			trans	-168.9	115.5	-176.9	-174.7	68.5	42.3	0	0	109.2	F429 D430 E438 A439 Y783 A786	F429-M434 CarbonylContact C-O 3.59Å; F429-M434 VanDerWaalsContact CA-O 3.26Å; F429-M434 WeakPolarHBondContact CA-O 3.26Å; F429-M434 HydrophobicContact CD1-CG 4.23Å; D430-M434 CarbonylContact C-O 3.58Å; D430-M434 PolarHBondContact N-O 3.42Å; D430-M434 CarbonylContact O-C 3.58Å; D430-M434 PolarHBondContact O-N 2.73Å; D430-M434 VanDerWaalsContact O-O 3.09Å; M434-E438 HydrophobicContact SD-CB 3.76Å; M434-A439 HydrophobicContact CG-CB 3.81Å; M434-A439 HydrophobicContact SD-CB 4.25Å; M434-Y783 HydrophobicContact CE-CD1 3.54Å; M434-Y783 HydrophobicContact CE-CE1 4.3Å; M434-Y783 HydrophobicContact CE-CG 4.48Å; M434-Y783 HydrophobicContact SD-CD1 4.14Å; M434-A786 HydrophobicContact CB-CB 3.51Å; M434-A786 HydrophobicContact CE-CB 4.29Å; M434-A786 HydrophobicContact CG-CB 4.38Å
435	S	96.6	Very high	95.3	Very high	26 Å²	26	63.8 Å²	63.8	18%	0.182	33%	0.327	C	S	.	.			trans	-72.8	159.1	170.5	69.6	0	0	0	0	111.4	Q437 E438 A439	S435-Q437 VanDerWaalsContact C-N 3.3Å; S435-Q437 PolarHBondContact O-N 3.48Å; S435-E438 WeakPolarHBondContact CB-OE2 3.26Å; S435-E438 PolarHBondContact N-OE2 3.14Å; S435-E438 PolarHBondContact O-N 3.38Å; S435-E438 WeakPolarHBondContact OG-CB 3.49Å; S435-E438 WeakPolarHBondContact OG-CG 3.24Å; S435-E438 PolarHBondContact OG-N 3.4Å; S435-E438 PolarHBondContact OG-OE2 3.29Å; S435-A439 WeakPolarHBondContact O-CB 3.42Å; S435-A439 PolarHBondContact O-N 2.98Å
436	L	96.9	Very high	95.3	Very high	62 Å²	62	63 Å²	63	33%	0.325	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-41.9	177	176.1	60	0	0	0	111.4	F359 V425 F429 A439 E440	F359-L436 HydrophobicContact CE1-CD1 4.19Å; F359-L436 HydrophobicContact CZ-CD1 3.92Å; V425-L436 HydrophobicContact CG1-CD1 3.85Å; V425-L436 HydrophobicContact CG1-CD2 3.85Å; V425-L436 HydrophobicContact CG1-CG 4.43Å; F429-L436 HydrophobicContact CB-CB 4.08Å; F429-L436 HydrophobicContact CD2-CD1 3.74Å; F429-L436 HydrophobicContact CE2-CD1 3.92Å; F429-L436 HydrophobicContact CG-CB 4.34Å; F429-L436 HydrophobicContact CG-CD1 4.23Å; L436-A439 PolarHBondContact O-N 2.91Å; L436-E440 HydrophobicContact CD1-CG 3.98Å; L436-E440 HydrophobicContact CG-CG 4.32Å; L436-E440 WeakPolarHBondContact O-CB 3.22Å; L436-E440 WeakPolarHBondContact O-CG 3.24Å; L436-E440 PolarHBondContact O-N 3.4Å
437	Q	97	Very high	95.5	Very high	135 Å²	135	64.7 Å²	64.7	63%	0.631	32%	0.316	S	S	*	.	H	α-helix	trans	-61	-48.8	179.4	-176.9	-177.7	-10.1	0	0	111.5	S435 A439 E440 E441	S435-Q437 VanDerWaalsContact C-N 3.3Å; S435-Q437 PolarHBondContact O-N 3.48Å; Q437-A439 VanDerWaalsContact C-N 3.31Å; Q437-A439 PolarHBondContact O-N 3.11Å; Q437-E440 PolarHBondContact O-N 3.28Å; Q437-E441 WeakPolarHBondContact O-CG 3.34Å; Q437-E441 PolarHBondContact O-N 3.27Å
438	E	97	Very high	95.8	Very high	96 Å²	96	65 Å²	65	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-42.4	177.2	-70.6	162.6	145.7	0	0	111.3	M434 S435 E441 Q442	M434-E438 HydrophobicContact SD-CB 3.76Å; S435-E438 WeakPolarHBondContact CB-OE2 3.26Å; S435-E438 PolarHBondContact N-OE2 3.14Å; S435-E438 PolarHBondContact O-N 3.38Å; S435-E438 WeakPolarHBondContact OG-CB 3.49Å; S435-E438 WeakPolarHBondContact OG-CG 3.24Å; S435-E438 PolarHBondContact OG-N 3.4Å; S435-E438 PolarHBondContact OG-OE2 3.29Å; E438-E441 PolarHBondContact O-N 2.79Å; E438-Q442 WeakPolarHBondContact O-CG 3.42Å; E438-Q442 PolarHBondContact O-N 2.75Å
439	A	97.4	Very high	95.8	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-43.3	177.5	0	0	0	0	0	112	F429 M434 S435 L436 Q437 E441 Q442 F443	F429-A439 HydrophobicContact CD1-CB 3.64Å; F429-A439 HydrophobicContact CE1-CB 3.32Å; F429-A439 HydrophobicContact CZ-CB 4.15Å; M434-A439 HydrophobicContact CG-CB 3.81Å; M434-A439 HydrophobicContact SD-CB 4.25Å; S435-A439 WeakPolarHBondContact O-CB 3.42Å; S435-A439 PolarHBondContact O-N 2.98Å; L436-A439 PolarHBondContact O-N 2.91Å; Q437-A439 VanDerWaalsContact C-N 3.31Å; Q437-A439 PolarHBondContact O-N 3.11Å; A439-E441 VanDerWaalsContact C-N 3.33Å; A439-E441 PolarHBondContact O-N 2.56Å; A439-Q442 WeakPolarHBondContact O-CB 3.47Å; A439-Q442 PolarHBondContact O-N 2.84Å; A439-Q442 VanDerWaalsContact O-N 3.09Å; A439-F443 HydrophobicContact CB-CD2 4.35Å; A439-F443 HydrophobicContact CB-CE2 3.66Å; A439-F443 HydrophobicContact CB-CZ 4.04Å; A439-F443 WeakPolarHBondContact O-CD2 3.47Å; A439-F443 WeakPolarHBondContact O-CG 3.47Å; A439-F443 PolarHBondContact O-N 2.81Å
440	E	97.6	Very high	95.7	Very high	87 Å²	87	66.5 Å²	66.5	41%	0.407	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-41.4	177.4	-78.3	-177.5	164.5	0	0	112.2	F359 L436 Q437 Q442 F443 V444	F359-E440 HydrophobicContact CE1-CG 4.39Å; L436-E440 HydrophobicContact CD1-CG 3.98Å; L436-E440 HydrophobicContact CG-CG 4.32Å; L436-E440 WeakPolarHBondContact O-CB 3.22Å; L436-E440 WeakPolarHBondContact O-CG 3.24Å; L436-E440 PolarHBondContact O-N 3.4Å; Q437-E440 PolarHBondContact O-N 3.28Å; E440-Q442 VanDerWaalsContact C-N 3.28Å; E440-Q442 PolarHBondContact O-N 3.07Å; E440-F443 PolarHBondContact O-N 2.84Å; E440-V444 WeakPolarHBondContact O-CG2 3.48Å; E440-V444 PolarHBondContact O-N 3.24Å
441	E	98.1	Very high	95.7	Very high	95 Å²	95	70.5 Å²	70.5	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-40	173.3	-71	174.7	-167.4	0	0	111.8	Q437 E438 A439 K445	Q437-E441 WeakPolarHBondContact O-CG 3.34Å; Q437-E441 PolarHBondContact O-N 3.27Å; E438-E441 PolarHBondContact O-N 2.79Å; A439-E441 VanDerWaalsContact C-N 3.33Å; A439-E441 PolarHBondContact O-N 2.56Å; E441-K445 WeakPolarHBondContact O-CG 3.38Å; E441-K445 PolarHBondContact O-N 3.33Å
442	Q	97.8	Very high	95.6	Very high	40 Å²	40	69.7 Å²	69.7	19%	0.187	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-42.3	175	-57.6	-58.1	-35.9	0	0	111.5	E438 A439 E440 V444 K445 M446 Y780 Y783	E438-Q442 WeakPolarHBondContact O-CG 3.42Å; E438-Q442 PolarHBondContact O-N 2.75Å; A439-Q442 WeakPolarHBondContact O-CB 3.47Å; A439-Q442 PolarHBondContact O-N 2.84Å; A439-Q442 VanDerWaalsContact O-N 3.09Å; E440-Q442 VanDerWaalsContact C-N 3.28Å; E440-Q442 PolarHBondContact O-N 3.07Å; Q442-V444 VanDerWaalsContact C-N 3.27Å; Q442-V444 PolarHBondContact O-N 2.82Å; Q442-K445 WeakPolarHBondContact O-CB 3.4Å; Q442-K445 PolarHBondContact O-N 3.26Å; Q442-K445 VanDerWaalsContact O-N 3.14Å; Q442-M446 PolarHBondContact O-N 3.43Å; Q442-Y780 HydrophobicContact CB-CD1 3.94Å; Q442-Y780 HydrophobicContact CB-CE1 4.09Å; Q442-Y780 WeakPolarHBondContact O-CD1 3.36Å; Q442-Y780 WeakPolarHBondContact O-CE1 3.37Å; Q442-Y783 HydrophobicContact CB-CD2 3.49Å; Q442-Y783 VanDerWaalsContact CB-CD2 3.49Å; Q442-Y783 HydrophobicContact CB-CE2 3.77Å; Q442-Y783 HydrophobicContact CB-CG 3.94Å; Q442-Y783 HydrophobicContact CG-CD1 4Å; Q442-Y783 HydrophobicContact CG-CD2 3.74Å; Q442-Y783 HydrophobicContact CG-CE1 4.01Å; Q442-Y783 HydrophobicContact CG-CE2 3.77Å; Q442-Y783 HydrophobicContact CG-CG 3.87Å
443	F	97.7	Very high	95.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-28.9	178.1	-56.1	-42.2	0	0	0	112.8	F359 F360 F429 A439 E440 M446 R447 A784	F359-F443 HydrophobicContact CB-CD1 4.47Å; F359-F443 HydrophobicContact CB-CD2 3.9Å; F359-F443 HydrophobicContact CB-CE1 4.43Å; F359-F443 HydrophobicContact CB-CE2 3.84Å; F359-F443 HydrophobicContact CB-CG 4.24Å; F359-F443 HydrophobicContact CB-CZ 4.12Å; F359-F443 AromaticContact CD1-CD2 3.35Å; F359-F443 HydrophobicContact CD1-CD2 3.35Å; F359-F443 AromaticContact CD1-CE2 3.48Å; F359-F443 HydrophobicContact CD1-CE2 3.48Å; F359-F443 VanDerWaalsContact CD1-CE2 3.48Å; F359-F443 HydrophobicContact CD1-CG 4.32Å; F359-F443 HydrophobicContact CD2-CE2 4.3Å; F359-F443 HydrophobicContact CE1-CD2 4.09Å; F359-F443 HydrophobicContact CE1-CE2 4.07Å; F359-F443 AromaticContact CG-CD2 3.82Å; F359-F443 HydrophobicContact CG-CD2 3.82Å; F359-F443 AromaticContact CG-CE2 3.61Å; F359-F443 HydrophobicContact CG-CE2 3.61Å; F359-F443 HydrophobicContact CG-CZ 4.26Å; F360-F443 HydrophobicContact CE2-CE1 4.27Å; F360-F443 HydrophobicContact CZ-CE1 4.08Å; F429-F443 HydrophobicContact CE1-CE2 4.22Å; F429-F443 HydrophobicContact CE1-CZ 4.27Å; F429-F443 AromaticContact CZ-CE2 3.93Å; F429-F443 HydrophobicContact CZ-CE2 3.93Å; F429-F443 HydrophobicContact CZ-CZ 4.16Å; A439-F443 HydrophobicContact CB-CD2 4.35Å; A439-F443 HydrophobicContact CB-CE2 3.66Å; A439-F443 HydrophobicContact CB-CZ 4.04Å; A439-F443 WeakPolarHBondContact O-CD2 3.47Å; A439-F443 WeakPolarHBondContact O-CG 3.47Å; A439-F443 PolarHBondContact O-N 2.81Å; E440-F443 PolarHBondContact O-N 2.84Å; F443-M446 HydrophobicContact CD1-CE 4.48Å; F443-M446 WeakPolarHBondContact O-CB 3.2Å; F443-R447 WeakPolarHBondContact O-CG 3.26Å; F443-R447 VanDerWaalsContact O-CZ 3.25Å; F443-R447 PolarHBondContact O-N 3.32Å; F443-R447 PolarHBondContact O-NH1 3.25Å; F443-A784 HydrophobicContact CE1-CB 4.27Å; F443-A784 HydrophobicContact CZ-CB 3.94Å
444	V	97.6	Very high	94.7	Very high	60 Å²	60	70.6 Å²	70.6	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-50.7	169.4	170.9	0	0	0	0	110.1	E440 Q442 M446 R447 E448	E440-V444 WeakPolarHBondContact O-CG2 3.48Å; E440-V444 PolarHBondContact O-N 3.24Å; Q442-V444 VanDerWaalsContact C-N 3.27Å; Q442-V444 PolarHBondContact O-N 2.82Å; V444-M446 VanDerWaalsContact C-N 3.25Å; V444-M446 PolarHBondContact O-N 3.15Å; V444-R447 PolarHBondContact O-N 3.37Å; V444-E448 HydrophobicContact CG1-CG 4.35Å; V444-E448 WeakPolarHBondContact O-CG 3.39Å; V444-E448 PolarHBondContact O-N 2.8Å
445	K	97.1	Very high	93.7	Very high	94 Å²	94	71.1 Å²	71.1	41%	0.409	35%	0.352	S	S	.	.	H	α-helix	trans	-57.3	-38.3	176.4	-67.3	169.6	-171.7	167.7	0	112.6	E441 Q442 E448 S449 Y780	E441-K445 WeakPolarHBondContact O-CG 3.38Å; E441-K445 PolarHBondContact O-N 3.33Å; Q442-K445 WeakPolarHBondContact O-CB 3.4Å; Q442-K445 PolarHBondContact O-N 3.26Å; Q442-K445 VanDerWaalsContact O-N 3.14Å; K445-E448 PolarHBondContact O-N 3.22Å; K445-S449 WeakPolarHBondContact O-CB 3.41Å; K445-S449 PolarHBondContact O-N 2.97Å; K445-Y780 HydrophobicContact CB-CE1 4.39Å
446	M	95.9	Very high	92.7	Very high	1 Å²	1	75 Å²	75	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-49.9	174.6	-174.6	179.4	68.5	0	0	111.6	F359 F360 Q442 F443 V444 S449 I450 Y777 Y780	F359-M446 WeakPolarHBondContact O-CE 3.4Å; F360-M446 HydrophobicContact CD1-CE 3.89Å; F360-M446 HydrophobicContact CD1-SD 3.82Å; F360-M446 HydrophobicContact CE1-CE 4.32Å; F360-M446 HydrophobicContact CE1-SD 3.88Å; F360-M446 HydrophobicContact CG-CE 4.37Å; Q442-M446 PolarHBondContact O-N 3.43Å; F443-M446 HydrophobicContact CD1-CE 4.48Å; F443-M446 WeakPolarHBondContact O-CB 3.2Å; V444-M446 VanDerWaalsContact C-N 3.25Å; V444-M446 PolarHBondContact O-N 3.15Å; M446-S449 WeakPolarHBondContact O-CB 3.38Å; M446-S449 PolarHBondContact O-N 3.21Å; M446-I450 HydrophobicContact CG-CD1 4.21Å; M446-I450 WeakPolarHBondContact O-CG1 3.15Å; M446-I450 PolarHBondContact O-N 2.97Å; M446-I450 VanDerWaalsContact O-N 3.08Å; M446-Y777 HydrophobicContact CE-CD1 4.23Å; M446-Y777 HydrophobicContact CE-CE1 4.49Å; M446-Y777 HydrophobicContact CG-CD1 4.42Å; M446-Y777 HydrophobicContact SD-CD1 3.68Å; M446-Y777 HydrophobicContact SD-CE1 4.42Å; M446-Y780 VanDerWaalsContact CA-CZ 3.5Å; M446-Y780 HydrophobicContact CB-CD1 3.75Å; M446-Y780 HydrophobicContact CB-CD2 3.71Å; M446-Y780 HydrophobicContact CB-CE1 3.69Å; M446-Y780 HydrophobicContact CB-CE2 3.6Å; M446-Y780 HydrophobicContact CB-CG 3.76Å; M446-Y780 HydrophobicContact CG-CD1 4.36Å; M446-Y780 HydrophobicContact CG-CD2 3.49Å; M446-Y780 VanDerWaalsContact CG-CD2 3.49Å; M446-Y780 HydrophobicContact CG-CE2 3.67Å; M446-Y780 HydrophobicContact CG-CG 3.85Å; M446-Y780 PolarHBondContact N-OH 3.24Å; M446-Y780 HydrophobicContact SD-CD1 4.46Å; M446-Y780 HydrophobicContact SD-CD2 3.73Å; M446-Y780 HydrophobicContact SD-CG 3.68Å
447	R	95.1	Very high	91.6	Very high	117 Å²	117	76.2 Å²	76.2	44%	0.442	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-42.9	-179.8	-72.7	-177	-70.5	-90.7	1.2	111.8	F443 V444 S449 I450 E451	F443-R447 WeakPolarHBondContact O-CG 3.26Å; F443-R447 VanDerWaalsContact O-CZ 3.25Å; F443-R447 PolarHBondContact O-N 3.32Å; F443-R447 PolarHBondContact O-NH1 3.25Å; V444-R447 PolarHBondContact O-N 3.37Å; R447-S449 VanDerWaalsContact C-N 3.31Å; R447-S449 PolarHBondContact O-N 2.96Å; R447-I450 PolarHBondContact O-N 2.96Å; R447-E451 PolarHBondContact O-N 2.86Å
448	E	95.6	Very high	90.9	Very high	113 Å²	113	70.6 Å²	70.6	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-39.5	175	-69.5	174.6	168.3	0	0	111.8	V444 K445 I450 E451 S452	V444-E448 HydrophobicContact CG1-CG 4.35Å; V444-E448 WeakPolarHBondContact O-CG 3.39Å; V444-E448 PolarHBondContact O-N 2.8Å; K445-E448 PolarHBondContact O-N 3.22Å; E448-I450 VanDerWaalsContact C-N 3.35Å; E448-I450 PolarHBondContact O-N 3.42Å; E448-E451 PolarHBondContact O-N 3.42Å; E448-S452 VanDerWaalsContact O-CB 3.28Å; E448-S452 WeakPolarHBondContact O-CB 3.48Å; E448-S452 PolarHBondContact O-N 3.12Å; E448-S452 PolarHBondContact O-OG 3.08Å
449	S	92.9	Very high	90.4	Very high	33 Å²	33	72.5 Å²	72.5	23%	0.231	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-39.5	175.2	-177.3	0	0	0	0	112.4	K445 M446 R447 S452 N453 Y776	K445-S449 WeakPolarHBondContact O-CB 3.41Å; K445-S449 PolarHBondContact O-N 2.97Å; M446-S449 WeakPolarHBondContact O-CB 3.38Å; M446-S449 PolarHBondContact O-N 3.21Å; R447-S449 VanDerWaalsContact C-N 3.31Å; R447-S449 PolarHBondContact O-N 2.96Å; S449-S452 WeakPolarHBondContact CA-OG 3.37Å; S449-S452 PolarHBondContact O-OG 3.31Å; S449-N453 VanDerWaalsContact O-CB 3.31Å; S449-N453 WeakPolarHBondContact O-CB 3.41Å; S449-N453 PolarHBondContact O-N 2.93Å; S449-N453 PolarHBondContact O-ND2 3.36Å; S449-Y776 WeakPolarHBondContact OG-CD1 3.23Å
450	I	91.8	Very high	90.1	Very high	36 Å²	36	72.7 Å²	72.7	19%	0.185	37%	0.374	C	S	.	.	H	α-helix	trans	-70	-40.3	177.8	-67.5	163.7	0	0	0	110.6	M446 R447 E448 N453 K454 Y776 Y777	M446-I450 HydrophobicContact CG-CD1 4.21Å; M446-I450 WeakPolarHBondContact O-CG1 3.15Å; M446-I450 PolarHBondContact O-N 2.97Å; M446-I450 VanDerWaalsContact O-N 3.08Å; R447-I450 PolarHBondContact O-N 2.96Å; E448-I450 VanDerWaalsContact C-N 3.35Å; E448-I450 PolarHBondContact O-N 3.42Å; I450-N453 CarbonylContact O-C 3.57Å; I450-K454 WeakPolarHBondContact O-CA 3.42Å; I450-K454 PolarHBondContact O-N 2.85Å; I450-Y776 HydrophobicContact CD1-CG 4.45Å; I450-Y776 HydrophobicContact CG1-CD1 4.11Å; I450-Y776 HydrophobicContact CG1-CD2 3.93Å; I450-Y776 HydrophobicContact CG1-CG 3.55Å; I450-Y777 HydrophobicContact CD1-CD1 4.15Å; I450-Y777 HydrophobicContact CD1-CE1 3.57Å
451	E	90.7	Very high	89.5	Confident	135 Å²	135	70.4 Å²	70.4	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-72	-40	-179.6	-177.4	162.7	-152.5	0	0	112.7	R447 E448 K454	R447-E451 PolarHBondContact O-N 2.86Å; E448-E451 PolarHBondContact O-N 3.42Å; E451-K454 WeakPolarHBondContact O-CG 3.02Å
452	S	92.4	Very high	89	Confident	87 Å²	87	70.9 Å²	70.9	61%	0.608	38%	0.384	S	S	*	.	H	α-helix	trans	-71.3	-36.2	176.9	54.2	0	0	0	0	112.7	E448 S449	E448-S452 VanDerWaalsContact O-CB 3.28Å; E448-S452 WeakPolarHBondContact O-CB 3.48Å; E448-S452 PolarHBondContact O-N 3.12Å; E448-S452 PolarHBondContact O-OG 3.08Å; S449-S452 WeakPolarHBondContact CA-OG 3.37Å; S449-S452 PolarHBondContact O-OG 3.31Å
453	N	88	Confident	88.6	Confident	86 Å²	86	71 Å²	71	46%	0.46	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	45.1	179.2	-55.9	-72.9	0	0	0	111.3	S449 I450 P455 Y776	S449-N453 VanDerWaalsContact O-CB 3.31Å; S449-N453 WeakPolarHBondContact O-CB 3.41Å; S449-N453 PolarHBondContact O-N 2.93Å; S449-N453 PolarHBondContact O-ND2 3.36Å; I450-N453 CarbonylContact O-C 3.57Å; N453-P455 VanDerWaalsContact O-CD 3.31Å; N453-P455 WeakPolarHBondContact O-CD 3.47Å; N453-Y776 HydrophobicContact CB-CE1 4.14Å; N453-Y776 WeakPolarHBondContact CB-OH 3.36Å; N453-Y776 PolarHBondContact O-OH 3.44Å
454	K	79.9	Confident	88.3	Confident	151 Å²	151	73.4 Å²	73.4	66%	0.657	40%	0.404	S	S	*	.			trans	-45.4	112.6	179.5	-92.1	173.1	-170.5	172.4	0	109.3	I450 E451	I450-K454 WeakPolarHBondContact O-CA 3.42Å; I450-K454 PolarHBondContact O-N 2.85Å; E451-K454 WeakPolarHBondContact O-CG 3.02Å
455	P	74.3	Confident	88.3	Confident	40 Å²	40	73.8 Å²	73.8	26%	0.26	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-63.5	142.1	-174.5	21.9	-30.4	0	0	0	109.4	N453 A457 Q772	N453-P455 VanDerWaalsContact O-CD 3.31Å; N453-P455 WeakPolarHBondContact O-CD 3.47Å; P455-A457 PolarHBondContact O-N 2.78Å; P455-Q772 HydrophobicContact CB-CB 3.48Å; P455-Q772 VanDerWaalsContact CB-CB 3.48Å; P455-Q772 HydrophobicContact CB-CG 4.4Å; P455-Q772 HydrophobicContact CG-CB 3.75Å
456	P	76.7	Confident	88.3	Confident	108 Å²	108	69.4 Å²	69.4	70%	0.701	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-62.2	128.9	176.9	26.7	-33.1	0	0	0	108.4	H458 Q772	P456-H458 PolarHBondContact O-N 3.38Å; P456-Q772 PolarHBondContact O-NE2 3Å; P456-Q772 PolarHBondContact O-OE1 3.11Å
457	A	74.3	Confident	88.4	Confident	87 Å²	87	71.5 Å²	71.5	72%	0.719	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-47.9	129.1	-173.9	0	0	0	0	0	112.7	P455 A461	P455-A457 PolarHBondContact O-N 2.78Å; A457-A461 HydrophobicContact CB-CB 4.32Å
458	H	81.2	Confident	88.6	Confident	17 Å²	17	66.2 Å²	66.2	8%	0.079	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-55.6	143.5	175.5	-167.6	-97.4	0	0	0	110	P456 L460 A461 F768 Q772	P456-H458 PolarHBondContact O-N 3.38Å; H458-L460 WeakPolarHBondContact ND1-CB 3.43Å; H458-L460 PolarHBondContact ND1-N 2.94Å; H458-L460 VanDerWaalsContact ND1-N 3.14Å; H458-L460 PolarHBondContact O-N 3.38Å; H458-A461 HydrophobicContact CB-CB 4.32Å; H458-A461 WeakPolarHBondContact O-CB 3.39Å; H458-A461 PolarHBondContact O-N 2.81Å; H458-F768 AromaticContact CE1-CD1 3.78Å; H458-Q772 VanDerWaalsContact CA-NE2 3.31Å; H458-Q772 HydrophobicContact CB-CG 4.35Å; H458-Q772 VanDerWaalsContact N-OE1 3.08Å
459	R	86.8	Confident	88.7	Confident	135 Å²	135	61 Å²	61	51%	0.509	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.9	179.2	79.7	-174.9	-172.3	83.1	-3.2	112.9	K673 D696	R459-K673 PolarHBondContact NH1-O 3.27Å; R459-K673 PolarHBondContact NH2-O 3.08Å; R459-D696 IonicContact CZ-OD1 2.71Å; R459-D696 IonicContact CZ-OD2 2.73Å; R459-D696 IonicContact NE-OD1 3.6Å; R459-D696 PolarHBondContact NE-OD1 2.93Å; R459-D696 IonicContact NH2-OD1 2.76Å; R459-D696 PolarHBondContact NH2-OD1 2.86Å; R459-D696 IonicContact NH2-OD2 3.1Å; R459-D696 PolarHBondContact NH2-OD2 3.45Å
460	L	90.8	Very high	89	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	20.8	177.5	-53.3	174.6	0	0	0	112.8	H458 S462 E463 K673 W674 D696 F768	H458-L460 WeakPolarHBondContact ND1-CB 3.43Å; H458-L460 PolarHBondContact ND1-N 2.94Å; H458-L460 VanDerWaalsContact ND1-N 3.14Å; H458-L460 PolarHBondContact O-N 3.38Å; L460-S462 PolarHBondContact O-N 3.47Å; L460-E463 HydrophobicContact CB-CB 4.24Å; L460-E463 HydrophobicContact CB-CG 3.78Å; L460-E463 HydrophobicContact CD2-CG 3.96Å; L460-E463 HydrophobicContact CG-CG 4.44Å; L460-E463 VanDerWaalsContact O-CB 3.28Å; L460-E463 WeakPolarHBondContact O-CB 3.27Å; L460-E463 PolarHBondContact O-N 3.09Å; L460-K673 WeakPolarHBondContact CD2-O 3.44Å; L460-W674 HydrophobicContact CD1-CB 3.48Å; L460-W674 VanDerWaalsContact CD1-CB 3.48Å; L460-D696 HydrophobicContact CD1-CB 4.16Å; L460-F768 HydrophobicContact CB-CB 3.73Å; L460-F768 HydrophobicContact CB-CD2 3.98Å; L460-F768 HydrophobicContact CB-CG 3.85Å; L460-F768 HydrophobicContact CD1-CD1 3.96Å; L460-F768 HydrophobicContact CD1-CD2 3.68Å; L460-F768 HydrophobicContact CD1-CE1 3.97Å; L460-F768 HydrophobicContact CD1-CE2 3.63Å; L460-F768 HydrophobicContact CD1-CG 3.85Å; L460-F768 HydrophobicContact CD1-CZ 3.81Å; L460-F768 HydrophobicContact CG-CD2 4.49Å
461	A	85.7	Confident	89.3	Confident	38 Å²	38	57.7 Å²	57.7	31%	0.314	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.7	-177.3	0	0	0	0	0	113.3	A457 H458 E463 S769	A457-A461 HydrophobicContact CB-CB 4.32Å; H458-A461 HydrophobicContact CB-CB 4.32Å; H458-A461 WeakPolarHBondContact O-CB 3.39Å; H458-A461 PolarHBondContact O-N 2.81Å; A461-E463 VanDerWaalsContact C-N 3.27Å; A461-S769 WeakPolarHBondContact O-CB 3.37Å
462	S	87.5	Confident	89.7	Confident	106 Å²	106	51.3 Å²	51.3	74%	0.741	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.7	173.2	53.7	0	0	0	0	113.6	L460 A464	L460-S462 PolarHBondContact O-N 3.47Å; S462-A464 PolarHBondContact O-N 2.99Å
463	E	89.6	Confident	89.9	Confident	42 Å²	42	47.1 Å²	47.1	20%	0.196	27%	0.268	C	S	.	.			trans	-80.1	119.1	-176.8	-60.7	-55.2	157.3	0	0	111.3	L460 A461 Y465 K673	L460-E463 HydrophobicContact CB-CB 4.24Å; L460-E463 HydrophobicContact CB-CG 3.78Å; L460-E463 HydrophobicContact CD2-CG 3.96Å; L460-E463 HydrophobicContact CG-CG 4.44Å; L460-E463 VanDerWaalsContact O-CB 3.28Å; L460-E463 WeakPolarHBondContact O-CB 3.27Å; L460-E463 PolarHBondContact O-N 3.09Å; A461-E463 VanDerWaalsContact C-N 3.27Å; E463-Y465 VanDerWaalsContact C-N 3.3Å; E463-K673 VanDerWaalsContact CD-NZ 3.3Å; E463-K673 WeakPolarHBondContact OE1-CE 3.21Å; E463-K673 IonicContact OE1-NZ 2.8Å; E463-K673 PolarHBondContact OE1-NZ 3.17Å; E463-K673 WeakPolarHBondContact OE2-CE 3.33Å; E463-K673 IonicContact OE2-NZ 3.45Å; E463-K673 PolarHBondContact OE2-NZ 3.4Å
464	A	91	Very high	90.2	Very high	50 Å²	50	43 Å²	43	41%	0.413	25%	0.246	S	C	.	.			trans	-73.8	-26.3	175	0	0	0	0	0	112.4	S462	S462-A464 PolarHBondContact O-N 2.99Å
465	Y	96.5	Very high	90.8	Very high	68 Å²	68	36.3 Å²	36.3	27%	0.267	22%	0.217	S	C	.	.			trans	-133.2	149.7	-175.3	-61.4	-67.9	0	0	0	111.9	E463 Q490 L491 P493	E463-Y465 VanDerWaalsContact C-N 3.3Å; Y465-Q490 HydrophobicContact CD1-CB 4.48Å; Y465-Q490 HydrophobicContact CD1-CG 4.06Å; Y465-Q490 HydrophobicContact CE1-CG 3.78Å; Y465-L491 WeakPolarHBondContact CB-O 3.42Å; Y465-P493 HydrophobicContact CE2-CG 4.13Å
466	P	97.6	Very high	91.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.013	23%	0.234	C	C	.	.			cis	-75.1	149.6	2.5	31.2	-30.5	0	0	0	112.8	M489 Q490 W674 I676 F768	P466-M489 HydrophobicContact CB-CG 3.61Å; P466-M489 HydrophobicContact CB-SD 3.98Å; P466-M489 HydrophobicContact CG-CG 4.48Å; P466-M489 HydrophobicContact CG-SD 4.33Å; P466-Q490 CarbonylContact C-O 3.41Å; P466-Q490 WeakPolarHBondContact CA-O 3.15Å; P466-Q490 WeakPolarHBondContact CB-O 3.31Å; P466-W674 HydrophobicContact CG-CD2 4.46Å; P466-W674 HydrophobicContact CG-CH2 4.26Å; P466-W674 HydrophobicContact CG-CZ2 4.07Å; P466-I676 HydrophobicContact CG-CD1 3.56Å; P466-F768 HydrophobicContact CG-CE2 4.13Å
467	E	98.3	Very high	92.2	Very high	46 Å²	46	34.8 Å²	34.8	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.9	166.3	-174.8	179.3	104.5	0	0	107.7	Q490 T765 K767	E467-Q490 HydrophobicContact CB-CB 4.28Å; E467-Q490 PolarHBondContact N-O 3.46Å; E467-Q490 PolarHBondContact O-N 3.24Å; E467-T765 HydrophobicContact CG-CG2 3.49Å; E467-T765 VanDerWaalsContact CG-CG2 3.49Å; E467-T765 WeakPolarHBondContact OE1-CG2 2.73Å; E467-K767 HydrophobicContact CB-CG 4.39Å; E467-K767 HydrophobicContact CG-CG 4.26Å; E467-K767 WeakPolarHBondContact OE2-CE 3.31Å; E467-K767 IonicContact OE2-NZ 3.51Å; E467-K767 PolarHBondContact OE2-NZ 3.43Å
468	I	98.8	Very high	93	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.3	-170.8	-53.1	174.4	0	0	0	108.7	F470 I487 M489 I676 L697 I699 T765 V766	I468-F470 HydrophobicContact CG2-CE2 3.72Å; I468-F470 HydrophobicContact CG2-CZ 3.82Å; I468-I487 HydrophobicContact CG2-CG2 3.38Å; I468-M489 HydrophobicContact CD1-CE 4.29Å; I468-M489 HydrophobicContact CG1-CE 4.33Å; I468-M489 HydrophobicContact CG1-CG 4.39Å; I468-I676 HydrophobicContact CD1-CD1 3.89Å; I468-L697 HydrophobicContact CD1-CD2 3.44Å; I468-L697 VanDerWaalsContact CD1-CD2 3.44Å; I468-I699 HydrophobicContact CD1-CD1 4.41Å; I468-I699 HydrophobicContact CG2-CD1 4.31Å; I468-T765 CarbonylContact O-C 3.57Å; I468-T765 VanDerWaalsContact O-CA 3.28Å; I468-T765 WeakPolarHBondContact O-CA 3.42Å; I468-V766 HydrophobicContact CB-CG2 4.12Å; I468-V766 PolarHBondContact N-O 2.98Å; I468-V766 PolarHBondContact O-N 2.93Å
469	T	98.8	Very high	93.4	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126	179.5	-64.5	0	0	0	0	110.9	L471 I487 L488 L512 M764 T765	T469-L471 HydrophobicContact CG2-CD2 4.08Å; T469-L471 PolarHBondContact O-N 3.44Å; T469-I487 CarbonylContact O-C 3.59Å; T469-L488 PolarHBondContact N-O 3.22Å; T469-L488 PolarHBondContact O-N 3.04Å; T469-L512 HydrophobicContact CG2-CD2 3.55Å; T469-M764 CarbonylContact C-O 3.47Å; T469-M764 VanDerWaalsContact CA-O 3.29Å; T469-M764 WeakPolarHBondContact CA-O 3.47Å; T469-T765 WeakPolarHBondContact OG1-CG2 3.47Å; T469-T765 PolarHBondContact OG1-OG1 3.32Å
470	F	98.8	Very high	93.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	98.2	179.4	-67.7	-92.8	0	0	0	110	I468 G472 T473 I487 I699 L736 F761 D762 F763 M764 V766	I468-F470 HydrophobicContact CG2-CE2 3.72Å; I468-F470 HydrophobicContact CG2-CZ 3.82Å; F470-G472 VanDerWaalsContact C-N 3.3Å; F470-T473 HydrophobicContact CB-CG2 3.91Å; F470-T473 HydrophobicContact CD1-CG2 4.25Å; F470-T473 HydrophobicContact CG-CG2 4.4Å; F470-I487 HydrophobicContact CD1-CD1 4.18Å; F470-I487 HydrophobicContact CD1-CG1 3.86Å; F470-I487 HydrophobicContact CD1-CG2 4.43Å; F470-I487 HydrophobicContact CE1-CD1 3.67Å; F470-I487 HydrophobicContact CE1-CG1 3.84Å; F470-I487 HydrophobicContact CE1-CG2 4.16Å; F470-I487 HydrophobicContact CZ-CG2 4.29Å; F470-I699 HydrophobicContact CE1-CG2 4.22Å; F470-I699 HydrophobicContact CZ-CD1 4.13Å; F470-L736 HydrophobicContact CE1-CD2 4.01Å; F470-L736 HydrophobicContact CE2-CD2 3.52Å; F470-L736 HydrophobicContact CZ-CD2 3.16Å; F470-L736 HydrophobicContact CZ-CG 4.37Å; F470-F761 WeakPolarHBondContact CB-O 3.46Å; F470-D762 CarbonylContact O-C 3.6Å; F470-D762 WeakPolarHBondContact O-CA 3.3Å; F470-F763 WeakPolarHBondContact O-CA 3.05Å; F470-F763 PolarHBondContact O-N 3.33Å; F470-M764 HydrophobicContact CB-CB 4.5Å; F470-M764 HydrophobicContact CD2-CB 4.09Å; F470-M764 HydrophobicContact CD2-CG 4.32Å; F470-M764 WeakPolarHBondContact CD2-O 3.42Å; F470-M764 PolarHBondContact N-O 2.9Å; F470-V766 HydrophobicContact CE2-CG2 4.24Å
471	L	98.6	Very high	93.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-25.2	177.3	-64.6	-177.9	0	0	0	112.2	T469 C486 L488 M498 Q508 L509	T469-L471 HydrophobicContact CG2-CD2 4.08Å; T469-L471 PolarHBondContact O-N 3.44Å; L471-C486 HydrophobicContact CB-CB 4.08Å; L471-C486 PolarHBondContact N-O 3.3Å; L471-L488 HydrophobicContact CD1-CB 4.18Å; L471-L488 HydrophobicContact CG-CB 4.29Å; L471-M498 HydrophobicContact CD1-CE 4.36Å; L471-Q508 HydrophobicContact CB-CB 3.99Å; L471-Q508 HydrophobicContact CD2-CB 4.21Å; L471-Q508 WeakPolarHBondContact O-CB 3.48Å; L471-Q508 WeakPolarHBondContact O-CG 3.21Å; L471-Q508 PolarHBondContact O-NE2 3.18Å; L471-L509 HydrophobicContact CD1-CB 4.23Å; L471-L509 HydrophobicContact CD1-CD1 4.44Å
472	G	97.2	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	148.6	169.7	0	0	0	0	0	112.2	F470 N483 I484 S485 C486	F470-G472 VanDerWaalsContact C-N 3.3Å; G472-N483 CarbonylContact C-O 3.57Å; G472-N483 WeakPolarHBondContact CA-O 3.44Å; G472-I484 WeakPolarHBondContact CA-O 3.43Å; G472-S485 WeakPolarHBondContact O-CA 3.44Å; G472-C486 PolarHBondContact N-O 3.48Å; G472-C486 VanDerWaalsContact N-O 3.16Å; G472-C486 PolarHBondContact O-N 3.15Å
473	T	97	Very high	94.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.			trans	-131.1	4.7	-171.9	60.4	0	0	0	0	113.1	F470 R482 N483 N738 H739 F740 S760 F761 D762	F470-T473 HydrophobicContact CB-CG2 3.91Å; F470-T473 HydrophobicContact CD1-CG2 4.25Å; F470-T473 HydrophobicContact CG-CG2 4.4Å; T473-R482 WeakPolarHBondContact OG1-CD 3.33Å; T473-N483 PolarHBondContact N-O 3.46Å; T473-N738 WeakPolarHBondContact CG2-OD1 3.44Å; T473-H739 CarbonylContact O-C 3.6Å; T473-H739 WeakPolarHBondContact O-CA 3.26Å; T473-H739 PolarHBondContact O-N 3.35Å; T473-F740 PolarHBondContact O-N 3.03Å; T473-S760 VanDerWaalsContact CG2-OG 3.31Å; T473-S760 WeakPolarHBondContact CG2-OG 3.46Å; T473-F761 VanDerWaalsContact CG2-C 3.46Å; T473-D762 WeakPolarHBondContact CB-OD1 3.34Å; T473-D762 PolarHBondContact N-OD1 2.9Å; T473-D762 PolarHBondContact OG1-OD1 3.47Å
474	A	94.7	Very high	94.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-94.8	137.1	-173.6	0	0	0	0	0	111.8	R482 N483 I484 S485	A474-R482 HydrophobicContact CB-CB 3.68Å; A474-N483 WeakPolarHBondContact CB-O 3.2Å; A474-N483 PolarHBondContact N-O 2.97Å; A474-I484 WeakPolarHBondContact O-CA 3.32Å; A474-S485 PolarHBondContact O-N 3.12Å
475	S	93.3	Very high	94.8	Very high	9 Å²	9	19.3 Å²	19.3	6%	0.063	10%	0.102	C	C	.	.	S	Bend	trans	-82.1	138.7	175.7	-179.9	0	0	0	0	112.1	S477 H739 F740 Q742	S475-S477 PolarHBondContact O-N 3.07Å; S475-H739 VanDerWaalsContact CB-CE1 3.46Å; S475-H739 WeakPolarHBondContact CB-CE1 3.36Å; S475-H739 WeakPolarHBondContact CB-ND1 3.12Å; S475-H739 PolarHBondContact OG-CE1 2.89Å; S475-H739 PolarHBondContact OG-ND1 3Å; S475-F740 WeakPolarHBondContact CB-O 3.48Å; S475-F740 PolarHBondContact N-O 2.96Å; S475-Q742 PolarHBondContact O-NE2 2.89Å
476	S	89.1	Confident	94.9	Very high	87 Å²	87	16 Å²	16	61%	0.608	9%	0.089	S	C	*	.	S	Bend	trans	65.5	-38.4	169.7	176.2	0	0	0	0	117.8	D536	S476-D536 VanDerWaalsContact CA-OD2 3.24Å; S476-D536 WeakPolarHBondContact CA-OD2 3.15Å; S476-D536 PolarHBondContact N-OD2 3.49Å
477	S	89.7	Confident	94.9	Very high	30 Å²	30	16 Å²	16	21%	0.21	9%	0.088	C	C	.	.	S	Bend	trans	-154	151.7	-178.8	48	0	0	0	0	111.1	S475 Q742	S475-S477 PolarHBondContact O-N 3.07Å; S477-Q742 PolarHBondContact O-NE2 2.87Å; S477-Q742 PolarHBondContact O-OE1 3.27Å; S477-Q742 WeakPolarHBondContact OG-CG 3.35Å
478	P	91.5	Very high	95	Very high	13 Å²	13	13.9 Å²	13.9	8%	0.084	8%	0.079	C	C	.	.			trans	-75.4	158.3	174.9	32.2	-35.7	0	0	0	111.1	Q69 R70 R482	Q69-P478 HydrophobicContact CB-CG 4.4Å; Q69-P478 HydrophobicContact CG-CG 4.36Å; R70-P478 HydrophobicContact CB-CB 3.84Å; R70-P478 HydrophobicContact CB-CG 3.75Å; R70-P478 HydrophobicContact CG-CB 4.03Å; R70-P478 HydrophobicContact CG-CG 4.46Å; P478-R482 WeakPolarHBondContact CA-O 3.32Å
479	N	89.3	Confident	95	Very high	21 Å²	21	13.7 Å²	13.7	11%	0.112	8%	0.078	C	C	.	.			trans	-128.6	-173.7	169.2	72.5	45.6	0	0	0	111.2	Y481 R482 Q742	N479-Y481 PolarHBondContact O-N 3.38Å; N479-Y481 VanDerWaalsContact O-N 3.11Å; N479-Y481 WeakPolarHBondContact OD1-CA 3.48Å; N479-Y481 PolarHBondContact OD1-N 3.22Å; N479-R482 PolarHBondContact N-O 3.28Å; N479-R482 PolarHBondContact OD1-N 3.4Å; N479-Q742 VanDerWaalsContact CB-OE1 3.26Å; N479-Q742 VanDerWaalsContact CG-OE1 3.31Å; N479-Q742 PolarHBondContact ND2-OE1 3.49Å
480	K	89.8	Confident	94.9	Very high	70 Å²	70	14.5 Å²	14.5	30%	0.304	8%	0.081	S	C	.	.	S	Bend	trans	-54.8	-26.9	179.4	-178.5	167.6	174.5	146.1	0	114	E74 G348 M349	E74-K480 WeakPolarHBondContact OE1-CE 3.23Å; E74-K480 IonicContact OE1-NZ 3.8Å; E74-K480 PolarHBondContact OE1-NZ 3.17Å; E74-K480 WeakPolarHBondContact OE2-CG 3.33Å; E74-K480 VanDerWaalsContact OE2-O 3.1Å; G348-K480 CarbonylContact C-O 3.55Å; G348-K480 WeakPolarHBondContact CA-O 3.48Å; M349-K480 PolarHBondContact N-O 3.03Å
481	Y	92.5	Very high	94.9	Very high	35 Å²	35	15.2 Å²	15.2	14%	0.137	9%	0.085	C	C	.	.	S	Bend	trans	-120.5	-19.1	-168.8	-46.8	-60.2	0	0	0	114	G348 Q352 N479 R746 H788	G348-Y481 WeakPolarHBondContact O-CD1 3.32Å; Q352-Y481 PolarHBondContact NE2-O 3.34Å; N479-Y481 PolarHBondContact O-N 3.38Å; N479-Y481 VanDerWaalsContact O-N 3.11Å; N479-Y481 WeakPolarHBondContact OD1-CA 3.48Å; N479-Y481 PolarHBondContact OD1-N 3.22Å; Y481-R746 HydrophobicContact CD1-CG 4.07Å; Y481-R746 HydrophobicContact CD2-CG 3.34Å; Y481-R746 HydrophobicContact CE1-CG 4.33Å; Y481-R746 HydrophobicContact CE2-CG 3.62Å; Y481-R746 HydrophobicContact CG-CG 3.57Å; Y481-R746 VanDerWaalsContact CZ-NE 3.26Å; Y481-H788 AromaticContact CE2-CE1 3.95Å; Y481-H788 AromaticContact CE2-NE2 3.33Å; Y481-H788 VanDerWaalsContact CE2-NE2 3.33Å; Y481-H788 WeakPolarHBondContact CE2-NE2 3.24Å; Y481-H788 AromaticContact CZ-CE1 3.93Å; Y481-H788 AromaticContact CZ-NE2 3.69Å; Y481-H788 PolarHBondContact OH-CE1 2.99Å; Y481-H788 PolarHBondContact OH-NE2 3.01Å
482	R	93.7	Very high	94.9	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.015	10%	0.096	C	C	.	.			trans	-137.6	137.7	-174.1	-54	-173	-51.9	-162.1	2.1	111.8	T473 A474 P478 N479 F740 S741 D762	T473-R482 WeakPolarHBondContact OG1-CD 3.33Å; A474-R482 HydrophobicContact CB-CB 3.68Å; P478-R482 WeakPolarHBondContact CA-O 3.32Å; N479-R482 PolarHBondContact N-O 3.28Å; N479-R482 PolarHBondContact OD1-N 3.4Å; R482-F740 VanDerWaalsContact NH1-CB 3.32Å; R482-F740 PolarHBondContact NH2-O 3.26Å; R482-F740 VanDerWaalsContact NH2-O 3.13Å; R482-S741 PolarHBondContact NH2-O 3.06Å; R482-D762 VanDerWaalsContact CA-OD2 3.27Å; R482-D762 WeakPolarHBondContact CA-OD2 3.22Å
483	N	94.6	Very high	94.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.011	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-93.5	165.3	170.1	-158.6	52.7	0	0	0	111	M349 G472 T473 A474 E503 Q508 D762	M349-N483 HydrophobicContact CE-CB 3.93Å; G472-N483 CarbonylContact C-O 3.57Å; G472-N483 WeakPolarHBondContact CA-O 3.44Å; T473-N483 PolarHBondContact N-O 3.46Å; A474-N483 WeakPolarHBondContact CB-O 3.2Å; A474-N483 PolarHBondContact N-O 2.97Å; N483-E503 PolarHBondContact ND2-O 2.93Å; N483-Q508 HydrophobicContact CB-CG 3.79Å; N483-D762 PolarHBondContact N-OD2 3.4Å
484	I	94.8	Very high	94.9	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.046	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-71.9	159.5	178.1	52.6	167.2	0	0	0	113.2	G472 A474 C486 E503 D536	G472-I484 WeakPolarHBondContact CA-O 3.43Å; A474-I484 WeakPolarHBondContact O-CA 3.32Å; I484-C486 PolarHBondContact O-N 3.34Å; I484-E503 HydrophobicContact CD1-CB 3.73Å; I484-E503 VanDerWaalsContact CG1-O 3.32Å; I484-E503 WeakPolarHBondContact CG1-O 3.26Å; I484-D536 HydrophobicContact CB-CB 4.08Å; I484-D536 HydrophobicContact CD1-CB 4.03Å; I484-D536 HydrophobicContact CG2-CB 4.13Å
485	S	95.5	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-51.3	127.1	-164.5	-156.6	0	0	0	0	114.4	G472 A474 G502	G472-S485 WeakPolarHBondContact O-CA 3.44Å; A474-S485 PolarHBondContact O-N 3.12Å; S485-G502 PolarHBondContact O-N 3.38Å
486	C	98.7	Very high	95.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	129.7	164.6	179.1	0	0	0	0	108.9	L471 G472 I484 D500 S505	L471-C486 HydrophobicContact CB-CB 4.08Å; L471-C486 PolarHBondContact N-O 3.3Å; G472-C486 PolarHBondContact N-O 3.48Å; G472-C486 VanDerWaalsContact N-O 3.16Å; G472-C486 PolarHBondContact O-N 3.15Å; I484-C486 PolarHBondContact O-N 3.34Å; C486-D500 PolarHBondContact SG-O 3.27Å; C486-S505 WeakPolarHBondContact CB-OG 3.37Å
487	I	98.9	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.9	178.7	-51.3	172.3	0	0	0	108.2	I468 T469 F470 M498 L499 Y678 I699	I468-I487 HydrophobicContact CG2-CG2 3.38Å; T469-I487 CarbonylContact O-C 3.59Å; F470-I487 HydrophobicContact CD1-CD1 4.18Å; F470-I487 HydrophobicContact CD1-CG1 3.86Å; F470-I487 HydrophobicContact CD1-CG2 4.43Å; F470-I487 HydrophobicContact CE1-CD1 3.67Å; F470-I487 HydrophobicContact CE1-CG1 3.84Å; F470-I487 HydrophobicContact CE1-CG2 4.16Å; F470-I487 HydrophobicContact CZ-CG2 4.29Å; I487-M498 CarbonylContact O-C 3.54Å; I487-M498 VanDerWaalsContact O-CA 3.26Å; I487-M498 WeakPolarHBondContact O-CA 3.47Å; I487-L499 HydrophobicContact CB-CB 4.08Å; I487-L499 HydrophobicContact CB-CD1 4.38Å; I487-L499 HydrophobicContact CB-CG 4.32Å; I487-L499 HydrophobicContact CD1-CD1 4.4Å; I487-L499 HydrophobicContact CG2-CD1 4.4Å; I487-L499 PolarHBondContact N-O 3.38Å; I487-L499 PolarHBondContact O-N 2.88Å; I487-Y678 HydrophobicContact CD1-CD2 4.21Å; I487-Y678 HydrophobicContact CD1-CE2 3.86Å; I487-I699 HydrophobicContact CD1-CD1 4.26Å; I487-I699 HydrophobicContact CD1-CG2 3.83Å
488	L	98.9	Very high	96.2	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.9	173.3	-179.3	71	0	0	0	109.2	T469 L471 Y496 M498 L509 I521	T469-L488 PolarHBondContact N-O 3.22Å; T469-L488 PolarHBondContact O-N 3.04Å; L471-L488 HydrophobicContact CD1-CB 4.18Å; L471-L488 HydrophobicContact CG-CB 4.29Å; L488-Y496 HydrophobicContact CD1-CD1 3.85Å; L488-Y496 HydrophobicContact CD1-CG 4.36Å; L488-Y496 HydrophobicContact CD2-CD1 3.96Å; L488-Y496 HydrophobicContact CD2-CE1 4.22Å; L488-Y496 HydrophobicContact CG-CD1 3.9Å; L488-M498 HydrophobicContact CD1-CE 3.94Å; L488-M498 HydrophobicContact CD1-CG 3.88Å; L488-L509 HydrophobicContact CD2-CD1 3.89Å; L488-I521 HydrophobicContact CD1-CG2 4.36Å; L488-I521 HydrophobicContact CD2-CG2 4.03Å
489	M	98.8	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.1	176.8	-176.7	-176.7	-65.6	0	0	109.4	P466 I468 L491 Y496 I497 L499 I648 I676	P466-M489 HydrophobicContact CB-CG 3.61Å; P466-M489 HydrophobicContact CB-SD 3.98Å; P466-M489 HydrophobicContact CG-CG 4.48Å; P466-M489 HydrophobicContact CG-SD 4.33Å; I468-M489 HydrophobicContact CD1-CE 4.29Å; I468-M489 HydrophobicContact CG1-CE 4.33Å; I468-M489 HydrophobicContact CG1-CG 4.39Å; M489-L491 HydrophobicContact CG-CD2 3.96Å; M489-L491 HydrophobicContact SD-CD2 3.71Å; M489-Y496 CarbonylContact O-C 3.48Å; M489-Y496 WeakPolarHBondContact O-CA 3.49Å; M489-I497 HydrophobicContact CB-CD1 4.5Å; M489-I497 HydrophobicContact CB-CG1 3.81Å; M489-I497 HydrophobicContact CG-CG1 4.39Å; M489-I497 PolarHBondContact N-O 2.93Å; M489-I497 PolarHBondContact O-N 2.82Å; M489-I497 HydrophobicContact SD-CD1 4.07Å; M489-I497 HydrophobicContact SD-CG1 4.36Å; M489-L499 HydrophobicContact CE-CD1 4.12Å; M489-I648 HydrophobicContact CE-CD1 4.41Å; M489-I676 HydrophobicContact CE-CD1 3.7Å; M489-I676 HydrophobicContact CE-CG2 4.24Å; M489-I676 HydrophobicContact SD-CD1 4.29Å
490	Q	98.6	Very high	97	Very high	22 Å²	22	19.1 Å²	19.1	10%	0.103	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.4	171.4	-173.3	176	4.7	0	0	109	Y465 P466 E467 D492 Y496	Y465-Q490 HydrophobicContact CD1-CB 4.48Å; Y465-Q490 HydrophobicContact CD1-CG 4.06Å; Y465-Q490 HydrophobicContact CE1-CG 3.78Å; P466-Q490 CarbonylContact C-O 3.41Å; P466-Q490 WeakPolarHBondContact CA-O 3.15Å; P466-Q490 WeakPolarHBondContact CB-O 3.31Å; E467-Q490 HydrophobicContact CB-CB 4.28Å; E467-Q490 PolarHBondContact N-O 3.46Å; E467-Q490 PolarHBondContact O-N 3.24Å; Q490-D492 WeakPolarHBondContact CG-O 3.5Å; Q490-D492 PolarHBondContact NE2-O 3.48Å; Q490-Y496 HydrophobicContact CB-CD1 3.71Å; Q490-Y496 HydrophobicContact CB-CE1 3.49Å; Q490-Y496 VanDerWaalsContact CB-CE1 3.49Å; Q490-Y496 HydrophobicContact CB-CG 4.49Å; Q490-Y496 HydrophobicContact CG-CD1 3.98Å; Q490-Y496 HydrophobicContact CG-CD2 4.48Å; Q490-Y496 HydrophobicContact CG-CE1 3.54Å; Q490-Y496 HydrophobicContact CG-CE2 4.05Å; Q490-Y496 HydrophobicContact CG-CG 4.45Å; Q490-Y496 PolarHBondContact NE2-OH 3.15Å; Q490-Y496 VanDerWaalsContact NE2-OH 3.16Å; Q490-Y496 PolarHBondContact OE1-OH 3.04Å
491	L	98.3	Very high	97.4	Very high	15 Å²	15	15.8 Å²	15.8	8%	0.079	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-32.7	-178.3	-59.6	178.7	0	0	0	112.2	Y465 M489 N495 I497 L628 I630 W674	Y465-L491 WeakPolarHBondContact CB-O 3.42Å; M489-L491 HydrophobicContact CG-CD2 3.96Å; M489-L491 HydrophobicContact SD-CD2 3.71Å; L491-N495 HydrophobicContact CB-CB 4.45Å; L491-N495 PolarHBondContact N-O 3.07Å; L491-I497 HydrophobicContact CD1-CG2 3.81Å; L491-I497 HydrophobicContact CD2-CD1 4.37Å; L491-I497 HydrophobicContact CG-CG2 4.45Å; L491-L628 HydrophobicContact CD1-CB 4.13Å; L491-L628 HydrophobicContact CD1-CD2 4.44Å; L491-I630 HydrophobicContact CD1-CD1 3.81Å; L491-I630 HydrophobicContact CD1-CG1 4.33Å; L491-I630 HydrophobicContact CD1-CG2 4.18Å; L491-I630 HydrophobicContact CD2-CG2 4.21Å; L491-W674 HydrophobicContact CD2-CH2 4.13Å; L491-W674 HydrophobicContact CD2-CZ2 4.41Å
492	D	97.2	Very high	97.6	Very high	43 Å²	43	14.1 Å²	14.1	23%	0.23	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-178.1	177.5	65.1	52.8	0	0	0	108.9	Q490 D494 N495	Q490-D492 WeakPolarHBondContact CG-O 3.5Å; Q490-D492 PolarHBondContact NE2-O 3.48Å; D492-D494 PolarHBondContact O-N 3.46Å; D492-D494 WeakPolarHBondContact OD1-CA 3.24Å; D492-D494 PolarHBondContact OD1-N 2.93Å; D492-N495 VanDerWaalsContact CG-ND2 3.35Å; D492-N495 PolarHBondContact OD1-N 3.18Å; D492-N495 PolarHBondContact OD1-ND2 2.92Å; D492-N495 PolarHBondContact OD2-ND2 3.05Å
493	P	97	Very high	97.6	Very high	70 Å²	70	14.8 Å²	14.8	46%	0.455	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.5	-179.3	-28.1	37	0	0	0	116.1	Y465	Y465-P493 HydrophobicContact CE2-CG 4.13Å
494	D	97.2	Very high	97.5	Very high	88 Å²	88	14.7 Å²	14.7	47%	0.471	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-2.1	-168.5	-66.6	-49.5	0	0	0	114.5	D492 K524	D492-D494 PolarHBondContact O-N 3.46Å; D492-D494 WeakPolarHBondContact OD1-CA 3.24Å; D492-D494 PolarHBondContact OD1-N 2.93Å; D494-K524 WeakPolarHBondContact O-CB 3.16Å; D494-K524 WeakPolarHBondContact OD1-CE 3.43Å; D494-K524 IonicContact OD1-NZ 3.37Å
495	N	98.5	Very high	97.6	Very high	22 Å²	22	14.2 Å²	14.2	12%	0.118	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.2	-178.6	-63.2	-58.3	0	0	0	112.7	L491 D492 R526 L628	L491-N495 HydrophobicContact CB-CB 4.45Å; L491-N495 PolarHBondContact N-O 3.07Å; D492-N495 VanDerWaalsContact CG-ND2 3.35Å; D492-N495 PolarHBondContact OD1-N 3.18Å; D492-N495 PolarHBondContact OD1-ND2 2.92Å; D492-N495 PolarHBondContact OD2-ND2 3.05Å; N495-R526 HydrophobicContact CB-CG 4.23Å; N495-R526 WeakPolarHBondContact OD1-CG 3.46Å; N495-R526 PolarHBondContact OD1-NE 3.03Å; N495-L628 HydrophobicContact CB-CD2 3.92Å
496	Y	98.9	Very high	97.7	Very high	17 Å²	17	14.6 Å²	14.6	7%	0.067	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.6	174.7	-65.9	-105.7	0	0	0	110.9	L488 M489 Q490 I521 K524 R526	L488-Y496 HydrophobicContact CD1-CD1 3.85Å; L488-Y496 HydrophobicContact CD1-CG 4.36Å; L488-Y496 HydrophobicContact CD2-CD1 3.96Å; L488-Y496 HydrophobicContact CD2-CE1 4.22Å; L488-Y496 HydrophobicContact CG-CD1 3.9Å; M489-Y496 CarbonylContact O-C 3.48Å; M489-Y496 WeakPolarHBondContact O-CA 3.49Å; Q490-Y496 HydrophobicContact CB-CD1 3.71Å; Q490-Y496 HydrophobicContact CB-CE1 3.49Å; Q490-Y496 VanDerWaalsContact CB-CE1 3.49Å; Q490-Y496 HydrophobicContact CB-CG 4.49Å; Q490-Y496 HydrophobicContact CG-CD1 3.98Å; Q490-Y496 HydrophobicContact CG-CD2 4.48Å; Q490-Y496 HydrophobicContact CG-CE1 3.54Å; Q490-Y496 HydrophobicContact CG-CE2 4.05Å; Q490-Y496 HydrophobicContact CG-CG 4.45Å; Q490-Y496 PolarHBondContact NE2-OH 3.15Å; Q490-Y496 VanDerWaalsContact NE2-OH 3.16Å; Q490-Y496 PolarHBondContact OE1-OH 3.04Å; Y496-I521 HydrophobicContact CD1-CG2 3.95Å; Y496-I521 HydrophobicContact CD2-CG2 4.37Å; Y496-I521 HydrophobicContact CE1-CG1 4.2Å; Y496-I521 HydrophobicContact CE1-CG2 4.07Å; Y496-I521 HydrophobicContact CE2-CG1 4.38Å; Y496-I521 HydrophobicContact CG-CG2 4.08Å; Y496-K524 HydrophobicContact CD2-CB 3.66Å; Y496-K524 HydrophobicContact CE2-CB 3.96Å; Y496-K524 HydrophobicContact CE2-CD 4.17Å; Y496-K524 PolarHBondContact N-O 2.97Å; Y496-R526 PolarHBondContact O-N 3.11Å
497	I	98.9	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.7	167.8	71.1	173.2	0	0	0	110.2	M489 L491 L499 L527 L628 I630 I648	M489-I497 HydrophobicContact CB-CD1 4.5Å; M489-I497 HydrophobicContact CB-CG1 3.81Å; M489-I497 HydrophobicContact CG-CG1 4.39Å; M489-I497 PolarHBondContact N-O 2.93Å; M489-I497 PolarHBondContact O-N 2.82Å; M489-I497 HydrophobicContact SD-CD1 4.07Å; M489-I497 HydrophobicContact SD-CG1 4.36Å; L491-I497 HydrophobicContact CD1-CG2 3.81Å; L491-I497 HydrophobicContact CD2-CD1 4.37Å; L491-I497 HydrophobicContact CG-CG2 4.45Å; I497-L499 HydrophobicContact CD1-CD2 4.26Å; I497-L527 CarbonylContact C-O 3.56Å; I497-L527 WeakPolarHBondContact CA-O 3.25Å; I497-L527 HydrophobicContact CB-CB 4.25Å; I497-L527 HydrophobicContact CG2-CB 3.8Å; I497-L527 HydrophobicContact CG2-CD2 4.48Å; I497-L628 HydrophobicContact CG2-CD1 4.29Å; I497-I630 HydrophobicContact CD1-CD1 4.21Å; I497-I648 HydrophobicContact CD1-CD1 4.13Å
498	M	98.9	Very high	97.4	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.5	171.4	-69.4	174.2	175	0	0	111	L471 I487 L488 L525 L527 I528 L529 V544	L471-M498 HydrophobicContact CD1-CE 4.36Å; I487-M498 CarbonylContact O-C 3.54Å; I487-M498 VanDerWaalsContact O-CA 3.26Å; I487-M498 WeakPolarHBondContact O-CA 3.47Å; L488-M498 HydrophobicContact CD1-CE 3.94Å; L488-M498 HydrophobicContact CD1-CG 3.88Å; M498-L525 HydrophobicContact CE-CD1 4.36Å; M498-L525 HydrophobicContact CE-CD2 4.06Å; M498-L525 HydrophobicContact CG-CD1 3.83Å; M498-L525 HydrophobicContact SD-CD1 4.27Å; M498-L525 HydrophobicContact SD-CD2 3.99Å; M498-L527 PolarHBondContact N-O 2.82Å; M498-I528 HydrophobicContact CB-CG1 4.14Å; M498-I528 HydrophobicContact CB-CG2 4.23Å; M498-I528 CarbonylContact O-C 3.59Å; M498-I528 WeakPolarHBondContact O-CA 3.4Å; M498-I528 HydrophobicContact SD-CD1 4.21Å; M498-L529 PolarHBondContact O-N 2.89Å; M498-V544 HydrophobicContact SD-CG1 4.42Å
499	L	98.9	Very high	97.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112	167.8	-39.8	179.1	0	0	0	107.6	I487 M489 I497 L529 I648 Y678	I487-L499 HydrophobicContact CB-CB 4.08Å; I487-L499 HydrophobicContact CB-CD1 4.38Å; I487-L499 HydrophobicContact CB-CG 4.32Å; I487-L499 HydrophobicContact CD1-CD1 4.4Å; I487-L499 HydrophobicContact CG2-CD1 4.4Å; I487-L499 PolarHBondContact N-O 3.38Å; I487-L499 PolarHBondContact O-N 2.88Å; M489-L499 HydrophobicContact CE-CD1 4.12Å; I497-L499 HydrophobicContact CD1-CD2 4.26Å; L499-L529 HydrophobicContact CD2-CB 4.33Å; L499-L529 HydrophobicContact CD2-CD1 3.65Å; L499-L529 HydrophobicContact CD2-CG 4.14Å; L499-I648 HydrophobicContact CD2-CD1 3.63Å; L499-Y678 HydrophobicContact CB-CD1 3.69Å; L499-Y678 HydrophobicContact CB-CE1 3.72Å; L499-Y678 HydrophobicContact CB-CG 4.33Å; L499-Y678 HydrophobicContact CD1-CD1 4.12Å; L499-Y678 HydrophobicContact CD1-CG 3.98Å; L499-Y678 HydrophobicContact CG-CD1 4.42Å
500	D	98.8	Very high	97.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.			trans	52.6	164.7	-162.8	-64.7	-35.7	0	0	0	113.6	C486 L529 V530 T531 H537 Y678	C486-D500 PolarHBondContact SG-O 3.27Å; D500-L529 WeakPolarHBondContact CA-O 3.4Å; D500-L529 PolarHBondContact N-O 3.13Å; D500-V530 WeakPolarHBondContact OD1-CA 3.4Å; D500-T531 PolarHBondContact OD1-N 2.94Å; D500-T531 PolarHBondContact OD1-OG1 3.2Å; D500-T531 WeakPolarHBondContact OD2-CG2 3.34Å; D500-T531 PolarHBondContact OD2-OG1 3.34Å; D500-H537 WeakPolarHBondContact CA-O 3.47Å; D500-H537 HydrophobicContact CB-CB 4.14Å; D500-H537 WeakPolarHBondContact CB-O 3.49Å; D500-H537 IonicContact OD1-ND1 3.28Å; D500-H537 IonicContact OD2-CE1 3.12Å; D500-H537 IonicContact OD2-CG 3.74Å; D500-H537 IonicContact OD2-ND1 2.76Å; D500-H537 PolarHBondContact OD2-ND1 3.47Å; D500-Y678 WeakPolarHBondContact OD2-CE1 3.38Å; D500-Y678 PolarHBondContact OD2-OH 3.1Å
501	C	98.2	Very high	97	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.			trans	-154.3	82.1	179.2	-174	0	0	0	0	109.6	I528 H537 H538 G539 G540 V541	C501-I528 HydrophobicContact CB-CD1 4.21Å; C501-I528 HydrophobicContact CB-CG2 4.1Å; C501-H537 PolarHBondContact N-O 2.87Å; C501-H538 CarbonylContact O-C 3.57Å; C501-H538 VanDerWaalsContact O-CA 3.25Å; C501-H538 WeakPolarHBondContact O-CA 3.45Å; C501-G539 PolarHBondContact O-N 3.4Å; C501-G540 WeakPolarHBondContact O-CA 3.31Å; C501-G540 PolarHBondContact O-N 3.06Å; C501-G540 VanDerWaalsContact SG-C 3.53Å; C501-V541 HydrophobicContact CB-CG2 3.76Å
502	G	95.6	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.			trans	-68.6	163	173.7	0	0	0	0	0	113.9	S485 G504 S505 D536 G540	S485-G502 PolarHBondContact O-N 3.38Å; G502-G504 PolarHBondContact O-N 2.73Å; G502-S505 PolarHBondContact N-OG 3.03Å; G502-S505 WeakPolarHBondContact O-CB 3.25Å; G502-S505 PolarHBondContact O-N 3.38Å; G502-S505 PolarHBondContact O-OG 3.03Å; G502-D536 WeakPolarHBondContact CA-O 3.39Å; G502-G540 WeakPolarHBondContact O-CA 3.14Å
503	E	93.7	Very high	96.9	Very high	18 Å²	18	14.6 Å²	14.6	8%	0.084	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	136.9	171.6	-162.4	-163.6	129.9	0	0	111.5	E66 S67 N483 I484 S505	E66-E503 VanDerWaalsContact CA-OE1 3.28Å; E66-E503 WeakPolarHBondContact CA-OE1 3.29Å; E66-E503 HydrophobicContact CB-CG 3.81Å; E66-E503 HydrophobicContact CG-CG 3.56Å; S67-E503 PolarHBondContact N-OE1 2.9Å; N483-E503 PolarHBondContact ND2-O 2.93Å; I484-E503 HydrophobicContact CD1-CB 3.73Å; I484-E503 VanDerWaalsContact CG1-O 3.32Å; I484-E503 WeakPolarHBondContact CG1-O 3.26Å; E503-S505 VanDerWaalsContact C-N 3.29Å; E503-S505 PolarHBondContact O-N 2.84Å
504	G	93.7	Very high	96.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1.1	177.5	0	0	0	0	0	115	E66 G502 L506 S507 Q508	E66-G504 WeakPolarHBondContact OE2-CA 3.3Å; E66-G504 PolarHBondContact OE2-N 3.23Å; G502-G504 PolarHBondContact O-N 2.73Å; G504-L506 VanDerWaalsContact C-N 3.3Å; G504-L506 PolarHBondContact O-N 3.17Å; G504-S507 WeakPolarHBondContact O-CA 3.38Å; G504-S507 WeakPolarHBondContact O-CB 3.02Å; G504-S507 PolarHBondContact O-N 2.88Å; G504-Q508 WeakPolarHBondContact O-CG 3.46Å; G504-Q508 PolarHBondContact O-N 3.03Å
505	S	97.2	Very high	96.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.8	-41.1	176.8	-62.8	0	0	0	0	112.6	C486 G502 E503 S507 Q508 L509	C486-S505 WeakPolarHBondContact CB-OG 3.37Å; G502-S505 PolarHBondContact N-OG 3.03Å; G502-S505 WeakPolarHBondContact O-CB 3.25Å; G502-S505 PolarHBondContact O-N 3.38Å; G502-S505 PolarHBondContact O-OG 3.03Å; E503-S505 VanDerWaalsContact C-N 3.29Å; E503-S505 PolarHBondContact O-N 2.84Å; S505-S507 VanDerWaalsContact C-N 3.26Å; S505-S507 PolarHBondContact O-N 3.48Å; S505-Q508 PolarHBondContact O-N 3.5Å; S505-L509 PolarHBondContact O-N 2.96Å
506	L	96.8	Very high	96.6	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-58.2	-41.2	173.4	177	61.5	0	0	0	111.7	G504 Q508 L509 Y510 L522 T543 V544 V547	G504-L506 VanDerWaalsContact C-N 3.3Å; G504-L506 PolarHBondContact O-N 3.17Å; L506-Q508 VanDerWaalsContact C-N 3.33Å; L506-Q508 PolarHBondContact O-N 3.49Å; L506-L509 WeakPolarHBondContact O-CB 3.23Å; L506-L509 PolarHBondContact O-N 3.02Å; L506-Y510 HydrophobicContact CD1-CD2 4.19Å; L506-Y510 HydrophobicContact CD1-CE1 4.17Å; L506-Y510 HydrophobicContact CD1-CE2 3.58Å; L506-Y510 HydrophobicContact CD2-CE2 4.03Å; L506-Y510 HydrophobicContact CG-CD2 4.1Å; L506-Y510 HydrophobicContact CG-CE2 3.66Å; L506-Y510 PolarHBondContact O-N 2.89Å; L506-Y510 VanDerWaalsContact O-N 3.07Å; L506-L522 HydrophobicContact CD1-CD1 3.69Å; L506-L522 HydrophobicContact CD1-CD2 4.36Å; L506-L522 HydrophobicContact CD1-CG 4.48Å; L506-T543 HydrophobicContact CB-CG2 4.39Å; L506-T543 HydrophobicContact CD2-CG2 3.8Å; L506-V544 HydrophobicContact CB-CG2 4.2Å; L506-V547 HydrophobicContact CD2-CB 4.27Å; L506-V547 HydrophobicContact CD2-CG2 3.72Å
507	S	94.4	Very high	96.6	Very high	7 Å²	7	22 Å²	22	5%	0.049	11%	0.108	C	C	.	.	H	α-helix	trans	-70.8	-31.7	179.7	-163	0	0	0	0	113	G46 R346 G504 S505 A511	G46-S507 WeakPolarHBondContact O-CB 3.25Å; G46-S507 PolarHBondContact O-OG 2.91Å; R346-S507 PolarHBondContact NH1-OG 3.24Å; R346-S507 PolarHBondContact NH2-OG 2.77Å; G504-S507 WeakPolarHBondContact O-CA 3.38Å; G504-S507 WeakPolarHBondContact O-CB 3.02Å; G504-S507 PolarHBondContact O-N 2.88Å; S505-S507 VanDerWaalsContact C-N 3.26Å; S505-S507 PolarHBondContact O-N 3.48Å; S507-A511 WeakPolarHBondContact O-CB 3.25Å; S507-A511 PolarHBondContact O-N 2.88Å
508	Q	96.1	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-41.3	173.2	-64.6	-74	90	0	0	110.2	M349 L471 N483 G504 S505 L506 Y510 A511 L512 D762 F763	M349-Q508 PolarHBondContact SD-OE1 2.83Å; M349-Q508 VanDerWaalsContact SD-OE1 3.38Å; L471-Q508 HydrophobicContact CB-CB 3.99Å; L471-Q508 HydrophobicContact CD2-CB 4.21Å; L471-Q508 WeakPolarHBondContact O-CB 3.48Å; L471-Q508 WeakPolarHBondContact O-CG 3.21Å; L471-Q508 PolarHBondContact O-NE2 3.18Å; N483-Q508 HydrophobicContact CB-CG 3.79Å; G504-Q508 WeakPolarHBondContact O-CG 3.46Å; G504-Q508 PolarHBondContact O-N 3.03Å; S505-Q508 PolarHBondContact O-N 3.5Å; L506-Q508 VanDerWaalsContact C-N 3.33Å; L506-Q508 PolarHBondContact O-N 3.49Å; Q508-Y510 VanDerWaalsContact C-N 3.34Å; Q508-Y510 PolarHBondContact O-N 3.46Å; Q508-A511 PolarHBondContact O-N 3.12Å; Q508-L512 PolarHBondContact O-N 3.07Å; Q508-D762 PolarHBondContact NE2-OD2 3.19Å; Q508-F763 HydrophobicContact CB-CE1 3.97Å; Q508-F763 HydrophobicContact CB-CZ 4.45Å; Q508-F763 VanDerWaalsContact CD-CZ 3.42Å; Q508-F763 WeakPolarHBondContact O-CE1 3.42Å; Q508-F763 VanDerWaalsContact OE1-CZ 3.31Å
509	L	98	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57	-47	174.4	-175.5	69.4	0	0	0	111.7	L471 L488 S505 L506 L512 H513 I521 L522	L471-L509 HydrophobicContact CD1-CB 4.23Å; L471-L509 HydrophobicContact CD1-CD1 4.44Å; L488-L509 HydrophobicContact CD2-CD1 3.89Å; S505-L509 PolarHBondContact O-N 2.96Å; L506-L509 WeakPolarHBondContact O-CB 3.23Å; L506-L509 PolarHBondContact O-N 3.02Å; L509-L512 PolarHBondContact O-N 2.9Å; L509-H513 PolarHBondContact O-N 3.33Å; L509-I521 HydrophobicContact CD1-CD1 4.02Å; L509-I521 HydrophobicContact CD1-CG2 4.09Å; L509-I521 HydrophobicContact CD2-CG2 4.31Å; L509-L522 HydrophobicContact CD2-CD2 3.96Å; L509-L522 HydrophobicContact CD2-CG 3.99Å
510	Y	96.5	Very high	96.5	Very high	21 Å²	21	26.1 Å²	26.1	8%	0.082	13%	0.13	C	C	.	.	H	α-helix	trans	-70.7	-33	176.4	-65.6	-32.4	0	0	0	113.8	A45 L506 Q508 L512 G514 V515 N519	A45-Y510 HydrophobicContact CB-CD2 3.79Å; A45-Y510 HydrophobicContact CB-CE2 3.89Å; L506-Y510 HydrophobicContact CD1-CD2 4.19Å; L506-Y510 HydrophobicContact CD1-CE1 4.17Å; L506-Y510 HydrophobicContact CD1-CE2 3.58Å; L506-Y510 HydrophobicContact CD2-CE2 4.03Å; L506-Y510 HydrophobicContact CG-CD2 4.1Å; L506-Y510 HydrophobicContact CG-CE2 3.66Å; L506-Y510 PolarHBondContact O-N 2.89Å; L506-Y510 VanDerWaalsContact O-N 3.07Å; Q508-Y510 VanDerWaalsContact C-N 3.34Å; Q508-Y510 PolarHBondContact O-N 3.46Å; Y510-L512 VanDerWaalsContact C-N 3.26Å; Y510-L512 PolarHBondContact O-N 3.12Å; Y510-G514 WeakPolarHBondContact O-CA 3.5Å; Y510-G514 PolarHBondContact O-N 3.24Å; Y510-V515 HydrophobicContact CE1-CG1 4.42Å; Y510-V515 HydrophobicContact CG-CG2 4.48Å; Y510-N519 WeakPolarHBondContact CE1-OD1 2.9Å; Y510-N519 PolarHBondContact OH-OD1 2.62Å
511	A	95.1	Very high	96.5	Very high	8 Å²	8	26.2 Å²	26.2	7%	0.066	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-36.3	174.1	0	0	0	0	0	111.4	L368 F369 S507 Q508 F763	L368-A511 WeakPolarHBondContact CB-O 3.35Å; F369-A511 WeakPolarHBondContact CB-O 3.19Å; F369-A511 PolarHBondContact N-O 2.86Å; S507-A511 WeakPolarHBondContact O-CB 3.25Å; S507-A511 PolarHBondContact O-N 2.88Å; Q508-A511 PolarHBondContact O-N 3.12Å; A511-F763 HydrophobicContact CB-CE1 4.2Å; A511-F763 HydrophobicContact CB-CZ 4.18Å
512	L	97	Very high	96.6	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.058	13%	0.13	C	C	.	.	H	α-helix	trans	-77	-48.4	178.7	-178.1	58	0	0	0	112.8	P366 L368 T469 Q508 L509 Y510 F763	P366-L512 HydrophobicContact CB-CD1 4.45Å; P366-L512 HydrophobicContact CG-CD1 3.74Å; L368-L512 HydrophobicContact CD2-CD1 3.97Å; T469-L512 HydrophobicContact CG2-CD2 3.55Å; Q508-L512 PolarHBondContact O-N 3.07Å; L509-L512 PolarHBondContact O-N 2.9Å; Y510-L512 VanDerWaalsContact C-N 3.26Å; Y510-L512 PolarHBondContact O-N 3.12Å; L512-F763 HydrophobicContact CB-CD1 3.98Å; L512-F763 HydrophobicContact CB-CE1 4.33Å; L512-F763 HydrophobicContact CD1-CB 4.37Å; L512-F763 HydrophobicContact CD1-CD1 4.42Å
513	H	96.2	Very high	96.7	Very high	35 Å²	35	29.6 Å²	29.6	16%	0.162	14%	0.143	C	C	.	.	H	α-helix	trans	-109.4	-10.2	-167.6	-67.7	-46.4	0	0	0	115.2	L509 K517 I521	L509-H513 PolarHBondContact O-N 3.33Å; H513-K517 HydrophobicContact CB-CB 4.02Å; H513-K517 HydrophobicContact CB-CD 4Å; H513-K517 HydrophobicContact CB-CG 3.92Å; H513-I521 WeakPolarHBondContact CD2-CD1 3.45Å
514	G	95.3	Very high	96.9	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	76	170.1	-165.4	0	0	0	0	0	112.1	F369 Y510 G518	F369-G514 VanDerWaalsContact CG-CA 3.48Å; Y510-G514 WeakPolarHBondContact O-CA 3.5Å; Y510-G514 PolarHBondContact O-N 3.24Å; G514-G518 WeakPolarHBondContact O-CA 3.34Å; G514-G518 PolarHBondContact O-N 3.36Å
515	V	95	Very high	97.2	Very high	66 Å²	66	30.9 Å²	30.9	40%	0.4	15%	0.149	S	C	.	.	H	α-helix	trans	-67.3	-43.1	-173.1	179.6	0	0	0	0	112.1	A45 Y510 N519	A45-V515 HydrophobicContact CB-CG1 4.4Å; A45-V515 HydrophobicContact CB-CG2 3.44Å; A45-V515 VanDerWaalsContact CB-CG2 3.44Å; Y510-V515 HydrophobicContact CE1-CG1 4.42Å; Y510-V515 HydrophobicContact CG-CG2 4.48Å; V515-N519 VanDerWaalsContact O-CB 3.31Å; V515-N519 WeakPolarHBondContact O-CB 3.43Å; V515-N519 PolarHBondContact O-N 2.92Å; V515-N519 PolarHBondContact O-ND2 3.21Å; V515-N519 PolarHBondContact O-OD1 3.37Å
516	E	96.4	Very high	97.2	Very high	174 Å²	174	35.6 Å²	35.6	81%	0.813	17%	0.166	S	C	*	.	H	α-helix	trans	-63.4	-57.3	-176.1	-174.9	-177.8	171.4	0	0	111.8	G518 N519 D520	E516-G518 VanDerWaalsContact C-N 3.34Å; E516-G518 PolarHBondContact O-N 3.24Å; E516-N519 WeakPolarHBondContact O-CB 3.36Å; E516-N519 PolarHBondContact O-N 2.8Å; E516-D520 PolarHBondContact O-N 3.42Å
517	K	97.6	Very high	97.3	Very high	112 Å²	112	35.2 Å²	35.2	49%	0.487	16%	0.164	S	C	.	.	H	α-helix	trans	-67	-35.1	177.8	-179.7	177.1	176.7	177.9	0	112	H513 N519 D520 I521	H513-K517 HydrophobicContact CB-CB 4.02Å; H513-K517 HydrophobicContact CB-CD 4Å; H513-K517 HydrophobicContact CB-CG 3.92Å; K517-N519 VanDerWaalsContact C-N 3.3Å; K517-N519 PolarHBondContact O-N 3.42Å; K517-D520 PolarHBondContact O-N 3.06Å; K517-I521 HydrophobicContact CG-CD1 4.29Å; K517-I521 WeakPolarHBondContact O-CG1 2.95Å; K517-I521 PolarHBondContact O-N 3.48Å
518	G	98.4	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-41.2	171.8	0	0	0	0	0	112.4	G514 E516 I521 L522	G514-G518 WeakPolarHBondContact O-CA 3.34Å; G514-G518 PolarHBondContact O-N 3.36Å; E516-G518 VanDerWaalsContact C-N 3.34Å; E516-G518 PolarHBondContact O-N 3.24Å; G518-I521 PolarHBondContact O-N 3.35Å; G518-L522 WeakPolarHBondContact O-CG 3.41Å; G518-L522 PolarHBondContact O-N 3.01Å
519	N	98.5	Very high	97.7	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.144	16%	0.162	C	C	.	.	H	α-helix	trans	-67.9	-37.3	175.7	-72.5	-12.4	0	0	0	112.7	Y510 V515 E516 K517 I521 L522 R523 L551	Y510-N519 WeakPolarHBondContact CE1-OD1 2.9Å; Y510-N519 PolarHBondContact OH-OD1 2.62Å; V515-N519 VanDerWaalsContact O-CB 3.31Å; V515-N519 WeakPolarHBondContact O-CB 3.43Å; V515-N519 PolarHBondContact O-N 2.92Å; V515-N519 PolarHBondContact O-ND2 3.21Å; V515-N519 PolarHBondContact O-OD1 3.37Å; E516-N519 WeakPolarHBondContact O-CB 3.36Å; E516-N519 PolarHBondContact O-N 2.8Å; K517-N519 VanDerWaalsContact C-N 3.3Å; K517-N519 PolarHBondContact O-N 3.42Å; N519-I521 VanDerWaalsContact C-N 3.35Å; N519-L522 PolarHBondContact O-N 3.18Å; N519-R523 WeakPolarHBondContact O-CG 3.09Å; N519-R523 PolarHBondContact O-N 3.43Å; N519-R523 VanDerWaalsContact O-N 3.07Å; N519-L551 HydrophobicContact CB-CD1 3.77Å; N519-L551 HydrophobicContact CB-CD2 4.11Å
520	D	98.7	Very high	97.7	Very high	60 Å²	60	34.9 Å²	34.9	32%	0.321	16%	0.162	S	C	.	.	H	α-helix	trans	-59.2	-45.7	171.4	-177.6	56.1	0	0	0	111.4	E516 K517 L522 R523 K524	E516-D520 PolarHBondContact O-N 3.42Å; K517-D520 PolarHBondContact O-N 3.06Å; D520-L522 VanDerWaalsContact C-N 3.34Å; D520-L522 PolarHBondContact O-N 3.48Å; D520-R523 WeakPolarHBondContact O-CB 3.28Å; D520-R523 PolarHBondContact O-N 3.22Å; D520-K524 WeakPolarHBondContact O-CG 3.35Å; D520-K524 PolarHBondContact O-N 3.25Å; D520-K524 VanDerWaalsContact O-N 3.13Å; D520-K524 VanDerWaalsContact OD1-CE 3.32Å; D520-K524 WeakPolarHBondContact OD1-CE 3.27Å; D520-K524 IonicContact OD1-NZ 3.8Å; D520-K524 PolarHBondContact OD1-NZ 3.49Å; D520-K524 WeakPolarHBondContact OD2-CE 3.37Å; D520-K524 IonicContact OD2-NZ 2.7Å; D520-K524 PolarHBondContact OD2-NZ 3.41Å
521	I	98.8	Very high	97.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-41.8	175.6	-67.6	166.2	0	0	0	111.3	L488 Y496 L509 H513 K517 G518 N519 R523 K524 L525	L488-I521 HydrophobicContact CD1-CG2 4.36Å; L488-I521 HydrophobicContact CD2-CG2 4.03Å; Y496-I521 HydrophobicContact CD1-CG2 3.95Å; Y496-I521 HydrophobicContact CD2-CG2 4.37Å; Y496-I521 HydrophobicContact CE1-CG1 4.2Å; Y496-I521 HydrophobicContact CE1-CG2 4.07Å; Y496-I521 HydrophobicContact CE2-CG1 4.38Å; Y496-I521 HydrophobicContact CG-CG2 4.08Å; L509-I521 HydrophobicContact CD1-CD1 4.02Å; L509-I521 HydrophobicContact CD1-CG2 4.09Å; L509-I521 HydrophobicContact CD2-CG2 4.31Å; H513-I521 WeakPolarHBondContact CD2-CD1 3.45Å; K517-I521 HydrophobicContact CG-CD1 4.29Å; K517-I521 WeakPolarHBondContact O-CG1 2.95Å; K517-I521 PolarHBondContact O-N 3.48Å; G518-I521 PolarHBondContact O-N 3.35Å; N519-I521 VanDerWaalsContact C-N 3.35Å; I521-R523 VanDerWaalsContact C-N 3.32Å; I521-R523 PolarHBondContact O-N 2.97Å; I521-K524 CarbonylContact O-C 3.58Å; I521-K524 WeakPolarHBondContact O-CA 3.49Å; I521-K524 PolarHBondContact O-N 2.88Å; I521-K524 VanDerWaalsContact O-N 3.1Å; I521-L525 PolarHBondContact O-N 3.35Å
522	L	98.7	Very high	97.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-37.8	177.1	-71	176.3	0	0	0	112.7	L506 L509 G518 N519 D520 K524 L525 V544 V547 R548 L551	L506-L522 HydrophobicContact CD1-CD1 3.69Å; L506-L522 HydrophobicContact CD1-CD2 4.36Å; L506-L522 HydrophobicContact CD1-CG 4.48Å; L509-L522 HydrophobicContact CD2-CD2 3.96Å; L509-L522 HydrophobicContact CD2-CG 3.99Å; G518-L522 WeakPolarHBondContact O-CG 3.41Å; G518-L522 PolarHBondContact O-N 3.01Å; N519-L522 PolarHBondContact O-N 3.18Å; D520-L522 VanDerWaalsContact C-N 3.34Å; D520-L522 PolarHBondContact O-N 3.48Å; L522-K524 VanDerWaalsContact C-N 3.26Å; L522-K524 PolarHBondContact O-N 3.03Å; L522-L525 WeakPolarHBondContact O-CB 3.26Å; L522-L525 PolarHBondContact O-N 3.34Å; L522-V544 HydrophobicContact CD2-CG1 3.86Å; L522-V547 HydrophobicContact CD1-CB 4.4Å; L522-V547 HydrophobicContact CD1-CG1 3.72Å; L522-R548 HydrophobicContact CB-CB 4.49Å; L522-R548 WeakPolarHBondContact O-CD 3.15Å; L522-R548 WeakPolarHBondContact O-CG 2.92Å; L522-R548 PolarHBondContact O-NE 3.3Å; L522-L551 HydrophobicContact CB-CD1 4.03Å; L522-L551 HydrophobicContact CD1-CD1 3.98Å
523	R	98.2	Very high	97.6	Very high	71 Å²	71	33.9 Å²	33.9	27%	0.268	16%	0.157	S	C	.	.	H	α-helix	trans	-62.7	-37	173.7	-70.4	175.4	173.2	101.2	-5.8	111.7	N519 D520 I521 L551 L552 D555	N519-R523 WeakPolarHBondContact O-CG 3.09Å; N519-R523 PolarHBondContact O-N 3.43Å; N519-R523 VanDerWaalsContact O-N 3.07Å; D520-R523 WeakPolarHBondContact O-CB 3.28Å; D520-R523 PolarHBondContact O-N 3.22Å; I521-R523 VanDerWaalsContact C-N 3.32Å; I521-R523 PolarHBondContact O-N 2.97Å; R523-L551 HydrophobicContact CG-CB 4.47Å; R523-L552 HydrophobicContact CB-CD2 4.36Å; R523-L552 HydrophobicContact CG-CD2 4.18Å; R523-D555 WeakPolarHBondContact CD-OD2 3.44Å; R523-D555 IonicContact CZ-OD1 3.76Å; R523-D555 IonicContact CZ-OD2 2.65Å; R523-D555 IonicContact NE-OD1 3.35Å; R523-D555 IonicContact NE-OD2 2.93Å; R523-D555 PolarHBondContact NE-OD2 3.16Å; R523-D555 IonicContact NH2-OD1 3.64Å; R523-D555 PolarHBondContact NH2-OD1 2.77Å; R523-D555 IonicContact NH2-OD2 3.76Å
524	K	98.6	Very high	97.5	Very high	45 Å²	45	34.4 Å²	34.4	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-86.5	-2.1	179	-66.3	169	176.7	175.5	0	114	D494 Y496 D520 I521 L522 R526	D494-K524 WeakPolarHBondContact O-CB 3.16Å; D494-K524 WeakPolarHBondContact OD1-CE 3.43Å; D494-K524 IonicContact OD1-NZ 3.37Å; Y496-K524 HydrophobicContact CD2-CB 3.66Å; Y496-K524 HydrophobicContact CE2-CB 3.96Å; Y496-K524 HydrophobicContact CE2-CD 4.17Å; Y496-K524 PolarHBondContact N-O 2.97Å; D520-K524 WeakPolarHBondContact O-CG 3.35Å; D520-K524 PolarHBondContact O-N 3.25Å; D520-K524 VanDerWaalsContact O-N 3.13Å; D520-K524 VanDerWaalsContact OD1-CE 3.32Å; D520-K524 WeakPolarHBondContact OD1-CE 3.27Å; D520-K524 IonicContact OD1-NZ 3.8Å; D520-K524 PolarHBondContact OD1-NZ 3.49Å; D520-K524 WeakPolarHBondContact OD2-CE 3.37Å; D520-K524 IonicContact OD2-NZ 2.7Å; D520-K524 PolarHBondContact OD2-NZ 3.41Å; I521-K524 CarbonylContact O-C 3.58Å; I521-K524 WeakPolarHBondContact O-CA 3.49Å; I521-K524 PolarHBondContact O-N 2.88Å; I521-K524 VanDerWaalsContact O-N 3.1Å; L522-K524 VanDerWaalsContact C-N 3.26Å; L522-K524 PolarHBondContact O-N 3.03Å; K524-R526 WeakPolarHBondContact O-CG 3.45Å; K524-R526 PolarHBondContact O-N 3.42Å
525	L	98.8	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.4	174.1	-177.4	66.3	0	0	0	109.3	M498 I521 L522 I528 V544 R548 L564	M498-L525 HydrophobicContact CE-CD1 4.36Å; M498-L525 HydrophobicContact CE-CD2 4.06Å; M498-L525 HydrophobicContact CG-CD1 3.83Å; M498-L525 HydrophobicContact SD-CD1 4.27Å; M498-L525 HydrophobicContact SD-CD2 3.99Å; I521-L525 PolarHBondContact O-N 3.35Å; L522-L525 WeakPolarHBondContact O-CB 3.26Å; L522-L525 PolarHBondContact O-N 3.34Å; L525-I528 HydrophobicContact CD2-CD1 4.46Å; L525-I528 HydrophobicContact CD2-CG1 4.44Å; L525-V544 HydrophobicContact CD2-CG1 3.56Å; L525-R548 VanDerWaalsContact O-CZ 3.27Å; L525-R548 PolarHBondContact O-NE 3.32Å; L525-R548 PolarHBondContact O-NH2 2.97Å; L525-L564 HydrophobicContact CD2-CD1 4.18Å; L525-L564 HydrophobicContact CD2-CD2 4.01Å; L525-L564 HydrophobicContact CG-CD1 4.05Å
526	R	98.6	Very high	97.1	Very high	98 Å²	98	33 Å²	33	37%	0.37	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-26.6	-172.9	-60.5	-62.2	-165.8	-171.5	-1.2	114	N495 Y496 K524 P565 L628	N495-R526 HydrophobicContact CB-CG 4.23Å; N495-R526 WeakPolarHBondContact OD1-CG 3.46Å; N495-R526 PolarHBondContact OD1-NE 3.03Å; Y496-R526 PolarHBondContact O-N 3.11Å; K524-R526 WeakPolarHBondContact O-CG 3.45Å; K524-R526 PolarHBondContact O-N 3.42Å; R526-P565 WeakPolarHBondContact O-CB 3.1Å; R526-P565 VanDerWaalsContact O-CD 3.31Å; R526-P565 WeakPolarHBondContact O-CD 3.31Å; R526-P565 WeakPolarHBondContact O-CG 3.41Å; R526-L628 HydrophobicContact CB-CD1 4.27Å; R526-L628 HydrophobicContact CB-CD2 3.61Å; R526-L628 HydrophobicContact CG-CD2 3.66Å
527	L	98.9	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	142.9	-172.2	178.7	59.3	0	0	0	111.9	I497 M498 L529 P565 L567 W621 L624 L628 I632	I497-L527 CarbonylContact C-O 3.56Å; I497-L527 WeakPolarHBondContact CA-O 3.25Å; I497-L527 HydrophobicContact CB-CB 4.25Å; I497-L527 HydrophobicContact CG2-CB 3.8Å; I497-L527 HydrophobicContact CG2-CD2 4.48Å; M498-L527 PolarHBondContact N-O 2.82Å; L527-L529 HydrophobicContact CD1-CD2 4.05Å; L527-L529 HydrophobicContact CD2-CD2 3.65Å; L527-L529 HydrophobicContact CG-CD2 3.7Å; L527-L529 HydrophobicContact CG-CG 4.48Å; L527-P565 WeakPolarHBondContact CA-O 3.24Å; L527-P565 HydrophobicContact CD1-CB 3.88Å; L527-L567 HydrophobicContact CD1-CB 4.48Å; L527-W621 HydrophobicContact CD1-CH2 4.24Å; L527-W621 HydrophobicContact CD1-CZ3 3.85Å; L527-W621 HydrophobicContact CD2-CH2 3.92Å; L527-W621 HydrophobicContact CD2-CZ3 4.11Å; L527-L624 HydrophobicContact CD1-CD2 4.32Å; L527-L628 HydrophobicContact CB-CD1 4.4Å; L527-L628 HydrophobicContact CD2-CD1 4.27Å; L527-I632 HydrophobicContact CD2-CD1 3.61Å
528	I	98.9	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.2	163.4	-53.3	-171.8	0	0	0	109.1	M498 C501 L525 V530 V541 V544 L564 P565 V566 L567	M498-I528 HydrophobicContact CB-CG1 4.14Å; M498-I528 HydrophobicContact CB-CG2 4.23Å; M498-I528 CarbonylContact O-C 3.59Å; M498-I528 WeakPolarHBondContact O-CA 3.4Å; M498-I528 HydrophobicContact SD-CD1 4.21Å; C501-I528 HydrophobicContact CB-CD1 4.21Å; C501-I528 HydrophobicContact CB-CG2 4.1Å; L525-I528 HydrophobicContact CD2-CD1 4.46Å; L525-I528 HydrophobicContact CD2-CG1 4.44Å; I528-V530 HydrophobicContact CG2-CG2 4.14Å; I528-V541 HydrophobicContact CD1-CG1 4.4Å; I528-V541 HydrophobicContact CD1-CG2 4.34Å; I528-V541 HydrophobicContact CG2-CG2 4.35Å; I528-V544 HydrophobicContact CD1-CG1 4.33Å; I528-L564 HydrophobicContact CD1-CD2 3.68Å; I528-L564 HydrophobicContact CG1-CD2 4Å; I528-L564 HydrophobicContact CG1-CG 4.42Å; I528-P565 PolarHBondContact N-O 2.84Å; I528-V566 HydrophobicContact CB-CG1 4.34Å; I528-V566 HydrophobicContact CB-CG2 4.23Å; I528-V566 CarbonylContact O-C 3.59Å; I528-V566 VanDerWaalsContact O-CA 3.28Å; I528-V566 WeakPolarHBondContact O-CA 3.21Å; I528-L567 PolarHBondContact O-N 3.02Å
529	L	98.9	Very high	96.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.7	172.2	-51.2	-174	0	0	0	108.9	M498 L499 D500 L527 L567 I632 F646 I648	M498-L529 PolarHBondContact O-N 2.89Å; L499-L529 HydrophobicContact CD2-CB 4.33Å; L499-L529 HydrophobicContact CD2-CD1 3.65Å; L499-L529 HydrophobicContact CD2-CG 4.14Å; D500-L529 WeakPolarHBondContact CA-O 3.4Å; D500-L529 PolarHBondContact N-O 3.13Å; L527-L529 HydrophobicContact CD1-CD2 4.05Å; L527-L529 HydrophobicContact CD2-CD2 3.65Å; L527-L529 HydrophobicContact CG-CD2 3.7Å; L527-L529 HydrophobicContact CG-CG 4.48Å; L529-L567 HydrophobicContact CD2-CB 3.65Å; L529-L567 HydrophobicContact CD2-CD2 3.95Å; L529-L567 HydrophobicContact CD2-CG 4.43Å; L529-I632 HydrophobicContact CD1-CD1 3.9Å; L529-I632 HydrophobicContact CD1-CG2 4.33Å; L529-I632 HydrophobicContact CD2-CD1 3.78Å; L529-I632 HydrophobicContact CG-CD1 4.44Å; L529-F646 HydrophobicContact CB-CD2 3.8Å; L529-F646 HydrophobicContact CB-CE2 3.64Å; L529-F646 HydrophobicContact CB-CG 4.42Å; L529-F646 HydrophobicContact CB-CZ 4.13Å; L529-F646 HydrophobicContact CD1-CB 4.23Å; L529-F646 HydrophobicContact CD1-CD2 4.16Å; L529-F646 HydrophobicContact CD1-CG 4.06Å; L529-I648 HydrophobicContact CD1-CD1 3.82Å; L529-I648 HydrophobicContact CD1-CG1 4.36Å
530	V	98.7	Very high	96.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.			trans	-99.3	118.2	176.9	175.5	0	0	0	0	109	D500 I528 H532 H538 V541 V566 L567 P569 F646	D500-V530 WeakPolarHBondContact OD1-CA 3.4Å; I528-V530 HydrophobicContact CG2-CG2 4.14Å; V530-H532 WeakPolarHBondContact CG1-O 3.32Å; V530-H538 HydrophobicContact CG1-CB 4.01Å; V530-H538 HydrophobicContact CG2-CB 4.27Å; V530-V541 HydrophobicContact CG2-CG2 4.2Å; V530-V566 HydrophobicContact CG2-CG1 3.85Å; V530-L567 PolarHBondContact N-O 3.29Å; V530-P569 WeakPolarHBondContact O-CD 3.47Å; V530-F646 WeakPolarHBondContact O-CZ 3.4Å
531	T	98.2	Very high	96.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.			trans	-70.6	-42.4	-177.7	54.4	0	0	0	0	112.1	D500 W644 F646 Y678	D500-T531 PolarHBondContact OD1-N 2.94Å; D500-T531 PolarHBondContact OD1-OG1 3.2Å; D500-T531 WeakPolarHBondContact OD2-CG2 3.34Å; D500-T531 PolarHBondContact OD2-OG1 3.34Å; T531-W644 WeakPolarHBondContact CB-O 3.48Å; T531-W644 WeakPolarHBondContact CG2-O 3.28Å; T531-W644 PolarHBondContact O-N 3.39Å; T531-F646 HydrophobicContact CG2-CD2 4.01Å; T531-F646 HydrophobicContact CG2-CE2 3.75Å; T531-Y678 HydrophobicContact CG2-CD1 3.69Å; T531-Y678 HydrophobicContact CG2-CE1 3.27Å
532	H	95.6	Very high	96.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.079	C	C	.	.			trans	-164.6	174.4	-179.3	67.2	-69.4	0	0	0	111.6	V530 H534 H537 H639 S643 D681	V530-H532 WeakPolarHBondContact CG1-O 3.32Å; H532-H534 AromaticContact CD2-CG 3.54Å; H532-H534 AromaticContact CD2-ND1 3.34Å; H532-H534 PolarHBondContact CD2-ND1 3.03Å; H532-H534 VanDerWaalsContact CD2-ND1 3.34Å; H532-H534 AromaticContact NE2-CG 3.47Å; H532-H534 AromaticContact NE2-ND1 3.03Å; H532-H534 PolarHBondContact NE2-ND1 2.98Å; H532-H534 PolarHBondContact O-N 3.48Å; H532-H537 AromaticContact CE1-CD2 3.22Å; H532-H537 PolarHBondContact CE1-CD2 3Å; H532-H537 AromaticContact CE1-CE1 3.51Å; H532-H537 AromaticContact CE1-CG 3.51Å; H532-H537 AromaticContact CE1-ND1 3.67Å; H532-H537 AromaticContact CE1-NE2 3.24Å; H532-H537 PolarHBondContact CE1-NE2 3.32Å; H532-H537 AromaticContact ND1-CG 3.93Å; H532-H537 AromaticContact NE2-CD2 3.57Å; H532-H537 AromaticContact NE2-NE2 3.76Å; H532-H639 AromaticContact CD2-CD2 3.67Å; H532-H639 AromaticContact CD2-NE2 3.8Å; H532-H639 AromaticContact NE2-CD2 3.68Å; H532-H639 AromaticContact NE2-NE2 3.52Å; H532-S643 WeakPolarHBondContact CB-OG 3.48Å; H532-D681 IonicContact CE1-OD2 2.67Å; H532-D681 IonicContact NE2-OD2 3.15Å
533	M	93.7	Very high	96.2	Very high	19 Å²	19	17.4 Å²	17.4	9%	0.094	8%	0.084	C	C	.	.			trans	-89.2	12.9	-169.2	-69.2	-54.9	-64.5	0	0	116	F131 H538 P569 E571 F572 W575	F131-M533 HydrophobicContact CB-CB 4.42Å; F131-M533 WeakPolarHBondContact CB-O 3.47Å; M533-H538 PolarHBondContact O-CD2 3.42Å; M533-H538 PolarHBondContact O-NE2 2.73Å; M533-P569 HydrophobicContact CG-CB 4.09Å; M533-P569 HydrophobicContact CG-CG 4.27Å; M533-P569 HydrophobicContact SD-CB 4.43Å; M533-P569 HydrophobicContact SD-CG 4.46Å; M533-E571 HydrophobicContact CG-CB 3.67Å; M533-E571 HydrophobicContact SD-CB 4.48Å; M533-F572 HydrophobicContact CE-CB 4.09Å; M533-F572 HydrophobicContact CE-CD2 3.99Å; M533-F572 HydrophobicContact CE-CG 4.5Å; M533-F572 HydrophobicContact SD-CB 3.72Å; M533-F572 HydrophobicContact SD-CD2 4.01Å; M533-F572 HydrophobicContact SD-CG 4.38Å; M533-W575 HydrophobicContact CE-CB 4.37Å
534	H	92.3	Very high	96.2	Very high	46 Å²	46	14 Å²	14	21%	0.213	7%	0.072	C	C	.	.			trans	-67.1	142.2	170.5	-69.2	154.7	0	0	0	110.9	H532 D536 H537 H538 H639	H532-H534 AromaticContact CD2-CG 3.54Å; H532-H534 AromaticContact CD2-ND1 3.34Å; H532-H534 PolarHBondContact CD2-ND1 3.03Å; H532-H534 VanDerWaalsContact CD2-ND1 3.34Å; H532-H534 AromaticContact NE2-CG 3.47Å; H532-H534 AromaticContact NE2-ND1 3.03Å; H532-H534 PolarHBondContact NE2-ND1 2.98Å; H532-H534 PolarHBondContact O-N 3.48Å; H534-D536 VanDerWaalsContact CB-OD1 3.32Å; H534-D536 WeakPolarHBondContact CB-OD1 3.48Å; H534-D536 PolarHBondContact O-N 3.12Å; H534-D536 VanDerWaalsContact O-N 3.11Å; H534-H537 PolarHBondContact O-N 3.48Å; H534-H538 PolarHBondContact O-CD2 3.23Å; H534-H538 PolarHBondContact O-NE2 3.35Å; H534-H639 AromaticContact CE1-CE1 3.72Å; H534-H639 AromaticContact CE1-NE2 3.01Å; H534-H639 PolarHBondContact CE1-NE2 3.42Å; H534-H639 AromaticContact ND1-NE2 3.18Å; H534-H639 PolarHBondContact ND1-NE2 3.4Å; H534-H639 VanDerWaalsContact ND1-NE2 3.18Å
535	A	90.2	Very high	96.1	Very high	25 Å²	25	11.9 Å²	11.9	21%	0.207	6%	0.062	C	C	.	.	H	α-helix	trans	-58.9	-29.2	-168.8	0	0	0	0	0	113.6	L99 F131 H537 G539	L99-A535 HydrophobicContact CD2-CB 3.83Å; F131-A535 HydrophobicContact CD2-CB 4.45Å; A535-H537 PolarHBondContact O-N 3.49Å; A535-G539 WeakPolarHBondContact O-CA 3.12Å; A535-G539 PolarHBondContact O-N 2.86Å
536	D	92.1	Very high	95.9	Very high	14 Å²	14	13.4 Å²	13.4	8%	0.075	7%	0.07	C	C	.	.	H	α-helix	trans	-71.2	-9.4	177.8	54.8	-39.8	0	0	0	114.5	S476 I484 G502 H534 H739	S476-D536 VanDerWaalsContact CA-OD2 3.24Å; S476-D536 WeakPolarHBondContact CA-OD2 3.15Å; S476-D536 PolarHBondContact N-OD2 3.49Å; I484-D536 HydrophobicContact CB-CB 4.08Å; I484-D536 HydrophobicContact CD1-CB 4.03Å; I484-D536 HydrophobicContact CG2-CB 4.13Å; G502-D536 WeakPolarHBondContact CA-O 3.39Å; H534-D536 VanDerWaalsContact CB-OD1 3.32Å; H534-D536 WeakPolarHBondContact CB-OD1 3.48Å; H534-D536 PolarHBondContact O-N 3.12Å; H534-D536 VanDerWaalsContact O-N 3.11Å; D536-H739 IonicContact OD2-CE1 3.09Å; D536-H739 IonicContact OD2-NE2 2.81Å; D536-H739 PolarHBondContact OD2-NE2 3.43Å
537	H	95.8	Very high	95.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-107.4	-14.6	179.4	-65.6	-93.8	0	0	0	114.2	D500 C501 H532 H534 A535 D681 E701 H739	D500-H537 WeakPolarHBondContact CA-O 3.47Å; D500-H537 HydrophobicContact CB-CB 4.14Å; D500-H537 WeakPolarHBondContact CB-O 3.49Å; D500-H537 IonicContact OD1-ND1 3.28Å; D500-H537 IonicContact OD2-CE1 3.12Å; D500-H537 IonicContact OD2-CG 3.74Å; D500-H537 IonicContact OD2-ND1 2.76Å; D500-H537 PolarHBondContact OD2-ND1 3.47Å; C501-H537 PolarHBondContact N-O 2.87Å; H532-H537 AromaticContact CE1-CD2 3.22Å; H532-H537 PolarHBondContact CE1-CD2 3Å; H532-H537 AromaticContact CE1-CE1 3.51Å; H532-H537 AromaticContact CE1-CG 3.51Å; H532-H537 AromaticContact CE1-ND1 3.67Å; H532-H537 AromaticContact CE1-NE2 3.24Å; H532-H537 PolarHBondContact CE1-NE2 3.32Å; H532-H537 AromaticContact ND1-CG 3.93Å; H532-H537 AromaticContact NE2-CD2 3.57Å; H532-H537 AromaticContact NE2-NE2 3.76Å; H534-H537 PolarHBondContact O-N 3.48Å; A535-H537 PolarHBondContact O-N 3.49Å; H537-D681 IonicContact CE1-OD1 3.41Å; H537-D681 IonicContact NE2-OD1 2.77Å; H537-D681 IonicContact NE2-OD2 3.27Å; H537-E701 IonicContact CE1-OE2 3.97Å; H537-H739 AromaticContact CE1-CD2 3.53Å; H537-H739 AromaticContact CE1-NE2 3.21Å; H537-H739 PolarHBondContact CE1-NE2 3.31Å; H537-H739 AromaticContact NE2-CD2 3.72Å; H537-H739 AromaticContact NE2-CE1 3.81Å; H537-H739 AromaticContact NE2-NE2 2.92Å; H537-H739 PolarHBondContact NE2-NE2 3.5Å
538	H	95.4	Very high	95.7	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-138.4	-5.2	-179.3	68.6	86.1	0	0	0	115.3	C501 V530 M533 H534 G540 V541 F572 W575	C501-H538 CarbonylContact O-C 3.57Å; C501-H538 VanDerWaalsContact O-CA 3.25Å; C501-H538 WeakPolarHBondContact O-CA 3.45Å; V530-H538 HydrophobicContact CG1-CB 4.01Å; V530-H538 HydrophobicContact CG2-CB 4.27Å; M533-H538 PolarHBondContact O-CD2 3.42Å; M533-H538 PolarHBondContact O-NE2 2.73Å; H534-H538 PolarHBondContact O-CD2 3.23Å; H534-H538 PolarHBondContact O-NE2 3.35Å; H538-G540 PolarHBondContact O-N 3.17Å; H538-V541 HydrophobicContact CB-CG2 4.11Å; H538-V541 WeakPolarHBondContact O-CB 3.34Å; H538-V541 VanDerWaalsContact O-CG2 3.31Å; H538-V541 WeakPolarHBondContact O-CG2 3.4Å; H538-V541 PolarHBondContact O-N 3.03Å; H538-F572 HydrophobicContact CB-CE2 4.4Å; H538-W575 AromaticContact ND1-CD1 4Å; H538-W575 AromaticContact ND1-NE1 3.93Å
539	G	92.6	Very high	95.6	Very high	18 Å²	18	11.1 Å²	11.1	19%	0.186	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.6	-173.7	0	0	0	0	0	114.9	C501 A535	C501-G539 PolarHBondContact O-N 3.4Å; A535-G539 WeakPolarHBondContact O-CA 3.12Å; A535-G539 PolarHBondContact O-N 2.86Å
540	G	95.6	Very high	95.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.7	178.2	0	0	0	0	0	115.2	C501 G502 H538 F542 T543 V544	C501-G540 WeakPolarHBondContact O-CA 3.31Å; C501-G540 PolarHBondContact O-N 3.06Å; C501-G540 VanDerWaalsContact SG-C 3.53Å; G502-G540 WeakPolarHBondContact O-CA 3.14Å; H538-G540 PolarHBondContact O-N 3.17Å; G540-F542 PolarHBondContact O-N 3.12Å; G540-T543 PolarHBondContact O-N 3.29Å; G540-V544 PolarHBondContact O-N 3.25Å
541	V	97.8	Very high	95.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.1	-47.6	-173.4	172.1	0	0	0	0	111.6	C501 I528 V530 H538 T543 V544 A545 V566 F572 V589	C501-V541 HydrophobicContact CB-CG2 3.76Å; I528-V541 HydrophobicContact CD1-CG1 4.4Å; I528-V541 HydrophobicContact CD1-CG2 4.34Å; I528-V541 HydrophobicContact CG2-CG2 4.35Å; V530-V541 HydrophobicContact CG2-CG2 4.2Å; H538-V541 HydrophobicContact CB-CG2 4.11Å; H538-V541 WeakPolarHBondContact O-CB 3.34Å; H538-V541 VanDerWaalsContact O-CG2 3.31Å; H538-V541 WeakPolarHBondContact O-CG2 3.4Å; H538-V541 PolarHBondContact O-N 3.03Å; V541-T543 PolarHBondContact O-N 3.35Å; V541-V544 PolarHBondContact O-N 2.79Å; V541-A545 VanDerWaalsContact O-CB 3.25Å; V541-A545 WeakPolarHBondContact O-CB 3.14Å; V541-A545 PolarHBondContact O-N 3.38Å; V541-V566 HydrophobicContact CG1-CG2 4.11Å; V541-F572 HydrophobicContact CB-CE2 4.49Å; V541-F572 HydrophobicContact CB-CZ 4.46Å; V541-F572 HydrophobicContact CG1-CE2 4.29Å; V541-F572 HydrophobicContact CG1-CZ 3.81Å; V541-V589 HydrophobicContact CG1-CG2 4.34Å
542	F	95.4	Very high	95.3	Very high	3 Å²	3	17 Å²	17	1%	0.013	10%	0.097	C	C	.	.	H	α-helix	trans	-69.8	-33.7	-177.9	-61.2	-33.6	0	0	0	112.9	W92 G540 L546 F572 W575 L576 F579 V589	W92-F542 HydrophobicContact CZ2-CB 4.45Å; W92-F542 HydrophobicContact CZ2-CD2 4.37Å; G540-F542 PolarHBondContact O-N 3.12Å; F542-L546 WeakPolarHBondContact O-CB 3.14Å; F542-L546 PolarHBondContact O-N 3.27Å; F542-F572 HydrophobicContact CE1-CE1 4.29Å; F542-F572 HydrophobicContact CE1-CE2 4.41Å; F542-F572 AromaticContact CE1-CZ 3.7Å; F542-F572 HydrophobicContact CE1-CZ 3.7Å; F542-F572 HydrophobicContact CZ-CZ 4.15Å; F542-W575 AromaticContact CE2-CD1 3.49Å; F542-W575 VanDerWaalsContact CE2-CD1 3.49Å; F542-W575 HydrophobicContact CE2-CD2 4.2Å; F542-W575 AromaticContact CE2-CE2 3.58Å; F542-W575 HydrophobicContact CE2-CG 4.14Å; F542-W575 HydrophobicContact CE2-CZ2 4.14Å; F542-W575 AromaticContact CE2-NE1 3.13Å; F542-W575 AromaticContact CZ-CD1 3.53Å; F542-W575 HydrophobicContact CZ-CG 4.15Å; F542-W575 AromaticContact CZ-NE1 3.7Å; F542-L576 HydrophobicContact CE1-CB 4.39Å; F542-L576 HydrophobicContact CE1-CD1 3.76Å; F542-L576 HydrophobicContact CZ-CB 4.33Å; F542-L576 HydrophobicContact CZ-CD1 4.34Å; F542-F579 HydrophobicContact CB-CD2 4.48Å; F542-F579 HydrophobicContact CB-CE1 4.1Å; F542-F579 HydrophobicContact CB-CE2 3.91Å; F542-F579 HydrophobicContact CB-CZ 3.69Å; F542-F579 HydrophobicContact CD1-CD1 4.2Å; F542-F579 HydrophobicContact CD1-CE1 4.28Å; F542-F579 HydrophobicContact CD2-CB 4.2Å; F542-F579 HydrophobicContact CD2-CD1 4.02Å; F542-F579 AromaticContact CD2-CD2 3.35Å; F542-F579 HydrophobicContact CD2-CD2 3.35Å; F542-F579 HydrophobicContact CD2-CE1 4.25Å; F542-F579 AromaticContact CD2-CE2 3.62Å; F542-F579 HydrophobicContact CD2-CE2 3.62Å; F542-F579 AromaticContact CD2-CG 3.58Å; F542-F579 HydrophobicContact CD2-CG 3.58Å; F542-F579 HydrophobicContact CD2-CZ 4.07Å; F542-F579 HydrophobicContact CE1-CD1 4.35Å; F542-F579 HydrophobicContact CE1-CG 4.5Å; F542-F579 HydrophobicContact CE2-CB 3.59Å; F542-F579 HydrophobicContact CE2-CD1 4.12Å; F542-F579 AromaticContact CE2-CD2 3.64Å; F542-F579 HydrophobicContact CE2-CD2 3.64Å; F542-F579 HydrophobicContact CE2-CE2 4.36Å; F542-F579 AromaticContact CE2-CG 3.5Å; F542-F579 HydrophobicContact CE2-CG 3.5Å; F542-F579 VanDerWaalsContact CE2-CG 3.5Å; F542-F579 HydrophobicContact CG-CD1 4.06Å; F542-F579 HydrophobicContact CG-CD2 4.04Å; F542-F579 AromaticContact CG-CE1 3.97Å; F542-F579 HydrophobicContact CG-CE1 3.97Å; F542-F579 AromaticContact CG-CE2 3.96Å; F542-F579 HydrophobicContact CG-CE2 3.96Å; F542-F579 HydrophobicContact CG-CG 4.09Å; F542-F579 AromaticContact CG-CZ 3.93Å; F542-F579 HydrophobicContact CG-CZ 3.93Å; F542-F579 HydrophobicContact CZ-CB 3.93Å; F542-F579 HydrophobicContact CZ-CD1 4.32Å; F542-F579 HydrophobicContact CZ-CG 4.03Å; F542-V589 HydrophobicContact CD1-CG2 4.46Å
543	T	95.6	Very high	95.3	Very high	21 Å²	21	20.6 Å²	20.6	13%	0.129	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-48.4	174.7	-58	0	0	0	0	110.6	E66 W92 L506 G540 V541 L546 V547	E66-T543 VanDerWaalsContact OE1-CB 3.26Å; E66-T543 WeakPolarHBondContact OE1-CB 3.44Å; E66-T543 PolarHBondContact OE1-OG1 3.3Å; W92-T543 PolarHBondContact NE1-OG1 3.13Å; L506-T543 HydrophobicContact CB-CG2 4.39Å; L506-T543 HydrophobicContact CD2-CG2 3.8Å; G540-T543 PolarHBondContact O-N 3.29Å; V541-T543 PolarHBondContact O-N 3.35Å; T543-L546 PolarHBondContact O-N 3.04Å; T543-V547 WeakPolarHBondContact O-CG2 3.43Å; T543-V547 PolarHBondContact O-N 3.32Å; T543-V547 VanDerWaalsContact O-N 3.12Å
544	V	97.8	Very high	95.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-47.8	176.3	169.2	0	0	0	0	111.1	M498 L506 L522 L525 I528 G540 V541 L546 V547 R548 L564	M498-V544 HydrophobicContact SD-CG1 4.42Å; L506-V544 HydrophobicContact CB-CG2 4.2Å; L522-V544 HydrophobicContact CD2-CG1 3.86Å; L525-V544 HydrophobicContact CD2-CG1 3.56Å; I528-V544 HydrophobicContact CD1-CG1 4.33Å; G540-V544 PolarHBondContact O-N 3.25Å; V541-V544 PolarHBondContact O-N 2.79Å; V544-L546 PolarHBondContact O-N 3.17Å; V544-V547 PolarHBondContact O-N 2.95Å; V544-R548 VanDerWaalsContact O-CB 3.25Å; V544-R548 WeakPolarHBondContact O-CB 3.2Å; V544-R548 PolarHBondContact O-N 2.87Å; V544-L564 HydrophobicContact CG1-CD2 4.24Å
545	A	97.6	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-40.5	-179.6	0	0	0	0	0	112.5	V541 S549 L564 I588 V589	V541-A545 VanDerWaalsContact O-CB 3.25Å; V541-A545 WeakPolarHBondContact O-CB 3.14Å; V541-A545 PolarHBondContact O-N 3.38Å; A545-S549 VanDerWaalsContact O-CB 3.25Å; A545-S549 WeakPolarHBondContact O-CB 3.35Å; A545-S549 PolarHBondContact O-N 2.71Å; A545-L564 HydrophobicContact CB-CB 4.36Å; A545-L564 HydrophobicContact CB-CD2 4.09Å; A545-I588 HydrophobicContact CB-CB 4.36Å; A545-I588 HydrophobicContact CB-CD1 3.88Å; A545-I588 HydrophobicContact CB-CG1 4.17Å; A545-V589 HydrophobicContact CB-CG2 3.73Å
546	L	94.5	Very high	95.8	Very high	32 Å²	32	27.6 Å²	27.6	17%	0.168	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-47.1	179.9	-178.8	63	0	0	0	111.2	F542 T543 V544 S549 N550 Y585 I588	F542-L546 WeakPolarHBondContact O-CB 3.14Å; F542-L546 PolarHBondContact O-N 3.27Å; T543-L546 PolarHBondContact O-N 3.04Å; V544-L546 PolarHBondContact O-N 3.17Å; L546-S549 PolarHBondContact O-N 3.31Å; L546-N550 VanDerWaalsContact O-CG 3.28Å; L546-N550 PolarHBondContact O-N 2.94Å; L546-N550 PolarHBondContact O-ND2 2.98Å; L546-Y585 HydrophobicContact CD1-CE1 4.46Å; L546-Y585 HydrophobicContact CD2-CE2 4.36Å; L546-I588 HydrophobicContact CB-CD1 4Å
547	V	95.5	Very high	95.9	Very high	39 Å²	39	30.4 Å²	30.4	24%	0.236	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-44.8	178.3	175.8	0	0	0	0	110.6	L506 L522 T543 V544 S549 N550 L551	L506-V547 HydrophobicContact CD2-CB 4.27Å; L506-V547 HydrophobicContact CD2-CG2 3.72Å; L522-V547 HydrophobicContact CD1-CB 4.4Å; L522-V547 HydrophobicContact CD1-CG1 3.72Å; T543-V547 WeakPolarHBondContact O-CG2 3.43Å; T543-V547 PolarHBondContact O-N 3.32Å; T543-V547 VanDerWaalsContact O-N 3.12Å; V544-V547 PolarHBondContact O-N 2.95Å; V547-S549 PolarHBondContact O-N 2.93Å; V547-N550 PolarHBondContact O-N 3.3Å; V547-L551 HydrophobicContact CG1-CD1 4.13Å; V547-L551 HydrophobicContact CG1-CG 4.49Å; V547-L551 WeakPolarHBondContact O-CG 3.42Å; V547-L551 PolarHBondContact O-N 2.91Å
548	R	97.7	Very high	95.7	Very high	11 Å²	11	35 Å²	35	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-47.7	175	178.5	178.4	179.9	-87.3	6.5	112.1	L522 L525 V544 N550 L551 L552 C562 L563	L522-R548 HydrophobicContact CB-CB 4.49Å; L522-R548 WeakPolarHBondContact O-CD 3.15Å; L522-R548 WeakPolarHBondContact O-CG 2.92Å; L522-R548 PolarHBondContact O-NE 3.3Å; L525-R548 VanDerWaalsContact O-CZ 3.27Å; L525-R548 PolarHBondContact O-NE 3.32Å; L525-R548 PolarHBondContact O-NH2 2.97Å; V544-R548 VanDerWaalsContact O-CB 3.25Å; V544-R548 WeakPolarHBondContact O-CB 3.2Å; V544-R548 PolarHBondContact O-N 2.87Å; R548-N550 VanDerWaalsContact C-N 3.32Å; R548-N550 PolarHBondContact O-N 3.49Å; R548-L551 PolarHBondContact O-N 3.32Å; R548-L552 HydrophobicContact CG-CD1 4.06Å; R548-L552 HydrophobicContact CG-CG 4.46Å; R548-L552 WeakPolarHBondContact O-CG 3.46Å; R548-L552 PolarHBondContact O-N 3.47Å; R548-C562 PolarHBondContact NH1-O 2.99Å; R548-L563 PolarHBondContact NH1-O 3.25Å; R548-L563 VanDerWaalsContact NH1-O 3.1Å
549	S	96.6	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-44.2	179.1	-178	0	0	0	0	111.2	A545 L546 V547 L551 L552 K553	A545-S549 VanDerWaalsContact O-CB 3.25Å; A545-S549 WeakPolarHBondContact O-CB 3.35Å; A545-S549 PolarHBondContact O-N 2.71Å; L546-S549 PolarHBondContact O-N 3.31Å; V547-S549 PolarHBondContact O-N 2.93Å; S549-L551 PolarHBondContact O-N 3.4Å; S549-L552 PolarHBondContact O-N 3.12Å; S549-K553 WeakPolarHBondContact O-CB 3.4Å; S549-K553 VanDerWaalsContact O-CG 3.23Å; S549-K553 WeakPolarHBondContact O-CG 3.31Å; S549-K553 PolarHBondContact O-N 2.86Å; S549-K553 WeakPolarHBondContact OG-CE 3.42Å
550	N	94	Very high	95.1	Very high	83 Å²	83	39.9 Å²	39.9	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-64.2	-39.4	177.6	-69.7	-21.9	0	0	0	112.8	L546 V547 R548 S554	L546-N550 VanDerWaalsContact O-CG 3.28Å; L546-N550 PolarHBondContact O-N 2.94Å; L546-N550 PolarHBondContact O-ND2 2.98Å; V547-N550 PolarHBondContact O-N 3.3Å; R548-N550 VanDerWaalsContact C-N 3.32Å; R548-N550 PolarHBondContact O-N 3.49Å; N550-S554 WeakPolarHBondContact O-CB 3.34Å; N550-S554 PolarHBondContact O-N 3.26Å; N550-S554 PolarHBondContact O-OG 3.41Å
551	L	97.1	Very high	94.7	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.12	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-50.2	175.1	-69.5	168.2	0	0	0	111.1	N519 L522 R523 V547 R548 S549 K553 S554 D555	N519-L551 HydrophobicContact CB-CD1 3.77Å; N519-L551 HydrophobicContact CB-CD2 4.11Å; L522-L551 HydrophobicContact CB-CD1 4.03Å; L522-L551 HydrophobicContact CD1-CD1 3.98Å; R523-L551 HydrophobicContact CG-CB 4.47Å; V547-L551 HydrophobicContact CG1-CD1 4.13Å; V547-L551 HydrophobicContact CG1-CG 4.49Å; V547-L551 WeakPolarHBondContact O-CG 3.42Å; V547-L551 PolarHBondContact O-N 2.91Å; R548-L551 PolarHBondContact O-N 3.32Å; S549-L551 PolarHBondContact O-N 3.4Å; L551-K553 PolarHBondContact O-N 2.87Å; L551-S554 PolarHBondContact O-N 3.13Å; L551-S554 VanDerWaalsContact O-N 3.09Å; L551-S554 PolarHBondContact O-OG 3.44Å; L551-D555 PolarHBondContact O-N 2.87Å
552	L	97.7	Very high	94.6	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-40.9	-179.9	-66.9	176.7	0	0	0	112.1	R523 R548 S549 S554 D555 G556 I557 C562	R523-L552 HydrophobicContact CB-CD2 4.36Å; R523-L552 HydrophobicContact CG-CD2 4.18Å; R548-L552 HydrophobicContact CG-CD1 4.06Å; R548-L552 HydrophobicContact CG-CG 4.46Å; R548-L552 WeakPolarHBondContact O-CG 3.46Å; R548-L552 PolarHBondContact O-N 3.47Å; S549-L552 PolarHBondContact O-N 3.12Å; L552-S554 VanDerWaalsContact C-N 3.31Å; L552-S554 PolarHBondContact O-N 3.25Å; L552-D555 CarbonylContact O-C 3.57Å; L552-D555 PolarHBondContact O-N 3.41Å; L552-D555 VanDerWaalsContact O-N 3.12Å; L552-G556 PolarHBondContact O-N 2.94Å; L552-I557 HydrophobicContact CB-CB 4.1Å; L552-I557 HydrophobicContact CB-CG1 4.31Å; L552-I557 HydrophobicContact CD2-CG1 4.43Å; L552-I557 VanDerWaalsContact O-CB 3.27Å; L552-I557 WeakPolarHBondContact O-CB 3.39Å; L552-I557 WeakPolarHBondContact O-CG1 3.48Å; L552-I557 PolarHBondContact O-N 3.02Å; L552-C562 HydrophobicContact CB-CB 4.43Å; L552-C562 VanDerWaalsContact CB-SG 3.57Å; L552-C562 HydrophobicContact CD1-CB 4.44Å
553	K	95.4	Very high	94.7	Very high	77 Å²	77	47.2 Å²	47.2	34%	0.335	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-41.5	172.3	-73.4	172.5	-177.5	-173	0	112.3	S549 L551 D555 G556 D586	S549-K553 WeakPolarHBondContact O-CB 3.4Å; S549-K553 VanDerWaalsContact O-CG 3.23Å; S549-K553 WeakPolarHBondContact O-CG 3.31Å; S549-K553 PolarHBondContact O-N 2.86Å; S549-K553 WeakPolarHBondContact OG-CE 3.42Å; L551-K553 PolarHBondContact O-N 2.87Å; K553-D555 PolarHBondContact O-N 3.03Å; K553-G556 PolarHBondContact O-N 3.07Å; K553-D586 IonicContact NZ-OD2 2.58Å
554	S	95.4	Very high	94.8	Very high	89 Å²	89	46.2 Å²	46.2	62%	0.622	27%	0.27	S	S	*	.	H	α-helix	trans	-66.2	-25.2	177.9	74.7	0	0	0	0	112.7	N550 L551 L552 G556	N550-S554 WeakPolarHBondContact O-CB 3.34Å; N550-S554 PolarHBondContact O-N 3.26Å; N550-S554 PolarHBondContact O-OG 3.41Å; L551-S554 PolarHBondContact O-N 3.13Å; L551-S554 VanDerWaalsContact O-N 3.09Å; L551-S554 PolarHBondContact O-OG 3.44Å; L552-S554 VanDerWaalsContact C-N 3.31Å; L552-S554 PolarHBondContact O-N 3.25Å; S554-G556 PolarHBondContact O-N 2.96Å
555	D	96.7	Very high	94.8	Very high	79 Å²	79	47.1 Å²	47.1	42%	0.422	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.3	173	-52.1	-28.2	0	0	0	112.6	R523 L551 L552 K553 I557	R523-D555 WeakPolarHBondContact CD-OD2 3.44Å; R523-D555 IonicContact CZ-OD1 3.76Å; R523-D555 IonicContact CZ-OD2 2.65Å; R523-D555 IonicContact NE-OD1 3.35Å; R523-D555 IonicContact NE-OD2 2.93Å; R523-D555 PolarHBondContact NE-OD2 3.16Å; R523-D555 IonicContact NH2-OD1 3.64Å; R523-D555 PolarHBondContact NH2-OD1 2.77Å; R523-D555 IonicContact NH2-OD2 3.76Å; L551-D555 PolarHBondContact O-N 2.87Å; L552-D555 CarbonylContact O-C 3.57Å; L552-D555 PolarHBondContact O-N 3.41Å; L552-D555 VanDerWaalsContact O-N 3.12Å; K553-D555 PolarHBondContact O-N 3.03Å; D555-I557 HydrophobicContact CB-CG1 4.47Å
556	G	96	Very high	94.9	Very high	69 Å²	69	47.1 Å²	47.1	71%	0.711	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	13.8	179.7	0	0	0	0	0	115	L552 K553 S554	L552-G556 PolarHBondContact O-N 2.94Å; K553-G556 PolarHBondContact O-N 3.07Å; S554-G556 PolarHBondContact O-N 2.96Å
557	I	94.9	Very high	95.1	Very high	73 Å²	73	45.6 Å²	45.6	37%	0.374	27%	0.268	S	S	.	.			trans	-76.9	134	175.8	-54.2	-60.5	0	0	0	110.1	L552 D555 N561	L552-I557 HydrophobicContact CB-CB 4.1Å; L552-I557 HydrophobicContact CB-CG1 4.31Å; L552-I557 HydrophobicContact CD2-CG1 4.43Å; L552-I557 VanDerWaalsContact O-CB 3.27Å; L552-I557 WeakPolarHBondContact O-CB 3.39Å; L552-I557 WeakPolarHBondContact O-CG1 3.48Å; L552-I557 PolarHBondContact O-N 3.02Å; D555-I557 HydrophobicContact CB-CG1 4.47Å; I557-N561 HydrophobicContact CG2-CB 3.63Å
558	D	91	Very high	95.2	Very high	97 Å²	97	43.7 Å²	43.7	52%	0.519	26%	0.257	S	S	.	.			trans	-63	148.2	177.8	-177.8	58.1	0	0	0	112.5	S560 N561 C562	D558-S560 PolarHBondContact O-N 3.24Å; D558-S560 VanDerWaalsContact O-N 3.15Å; D558-S560 WeakPolarHBondContact OD2-CB 3.21Å; D558-S560 PolarHBondContact OD2-N 3.39Å; D558-S560 VanDerWaalsContact OD2-N 3.1Å; D558-S560 PolarHBondContact OD2-OG 3.35Å; D558-N561 PolarHBondContact O-N 2.65Å; D558-C562 PolarHBondContact O-N 2.7Å; D558-C562 PolarHBondContact O-SG 2.98Å
559	Q	86.8	Confident	95.2	Very high	48 Å²	48	43.2 Å²	43.2	22%	0.224	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-52.6	-39.1	-179.1	175	64.5	53.2	0	0	112.5	N561 C562 Q587	Q559-N561 PolarHBondContact O-N 2.87Å; Q559-C562 WeakPolarHBondContact O-CB 3.48Å; Q559-C562 PolarHBondContact O-N 3.33Å; Q559-Q587 PolarHBondContact NE2-O 2.76Å
560	S	87.3	Confident	95	Very high	76 Å²	76	45.8 Å²	45.8	53%	0.531	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-62.5	-29.4	-179.8	63.5	0	0	0	0	112.9	D558	D558-S560 PolarHBondContact O-N 3.24Å; D558-S560 VanDerWaalsContact O-N 3.15Å; D558-S560 WeakPolarHBondContact OD2-CB 3.21Å; D558-S560 PolarHBondContact OD2-N 3.39Å; D558-S560 VanDerWaalsContact OD2-N 3.1Å; D558-S560 PolarHBondContact OD2-OG 3.35Å
561	N	89.1	Confident	94.9	Very high	117 Å²	117	45.8 Å²	45.8	63%	0.626	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-94.4	-1.3	177.6	-65.7	-45.8	0	0	0	113.1	I557 D558 Q559	I557-N561 HydrophobicContact CG2-CB 3.63Å; D558-N561 PolarHBondContact O-N 2.65Å; Q559-N561 PolarHBondContact O-N 2.87Å
562	C	94.3	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.265	C	S	.	.			trans	-89.2	-10.3	177.8	-68	0	0	0	0	113.5	R548 L552 D558 Q559	R548-C562 PolarHBondContact NH1-O 2.99Å; L552-C562 HydrophobicContact CB-CB 4.43Å; L552-C562 VanDerWaalsContact CB-SG 3.57Å; L552-C562 HydrophobicContact CD1-CB 4.44Å; D558-C562 PolarHBondContact O-N 2.7Å; D558-C562 PolarHBondContact O-SG 2.98Å; Q559-C562 WeakPolarHBondContact O-CB 3.48Å; Q559-C562 PolarHBondContact O-N 3.33Å
563	L	97.2	Very high	94.5	Very high	40 Å²	40	45.9 Å²	45.9	21%	0.209	27%	0.274	C	S	.	.			trans	-61.1	139.6	-178	-54.7	-174.4	0	0	0	110.7	R548 P565 Q587 D590	R548-L563 PolarHBondContact NH1-O 3.25Å; R548-L563 VanDerWaalsContact NH1-O 3.1Å; L563-P565 WeakPolarHBondContact O-CD 3.38Å; L563-Q587 HydrophobicContact CD2-CB 4.35Å; L563-Q587 HydrophobicContact CD2-CG 4.07Å; L563-Q587 WeakPolarHBondContact CD2-O 3.4Å; L563-D590 HydrophobicContact CB-CB 3.96Å; L563-D590 HydrophobicContact CD1-CB 4.24Å
564	L	98.5	Very high	94.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.1	173.5	178.8	56.8	0	0	0	109.7	L525 I528 V544 A545 V566 I588 V589 D590	L525-L564 HydrophobicContact CD2-CD1 4.18Å; L525-L564 HydrophobicContact CD2-CD2 4.01Å; L525-L564 HydrophobicContact CG-CD1 4.05Å; I528-L564 HydrophobicContact CD1-CD2 3.68Å; I528-L564 HydrophobicContact CG1-CD2 4Å; I528-L564 HydrophobicContact CG1-CG 4.42Å; V544-L564 HydrophobicContact CG1-CD2 4.24Å; A545-L564 HydrophobicContact CB-CB 4.36Å; A545-L564 HydrophobicContact CB-CD2 4.09Å; L564-V566 PolarHBondContact O-N 2.86Å; L564-I588 PolarHBondContact N-O 2.79Å; L564-V589 WeakPolarHBondContact O-CA 3.41Å; L564-D590 PolarHBondContact O-N 2.62Å
565	P	98.5	Very high	94	Very high	18 Å²	18	44.1 Å²	44.1	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	131.1	170.8	-30.7	38.1	0	0	0	112.7	R526 L527 I528 L563 D590 F592 L624	R526-P565 WeakPolarHBondContact O-CB 3.1Å; R526-P565 VanDerWaalsContact O-CD 3.31Å; R526-P565 WeakPolarHBondContact O-CD 3.31Å; R526-P565 WeakPolarHBondContact O-CG 3.41Å; L527-P565 WeakPolarHBondContact CA-O 3.24Å; L527-P565 HydrophobicContact CD1-CB 3.88Å; I528-P565 PolarHBondContact N-O 2.84Å; L563-P565 WeakPolarHBondContact O-CD 3.38Å; P565-D590 CarbonylContact C-O 3.49Å; P565-D590 WeakPolarHBondContact CA-O 3.24Å; P565-F592 HydrophobicContact CB-CD2 4.07Å; P565-F592 HydrophobicContact CB-CE2 3.79Å; P565-F592 HydrophobicContact CG-CE2 4.32Å; P565-L624 HydrophobicContact CB-CD2 3.6Å; P565-L624 HydrophobicContact CG-CD2 3.83Å
566	V	98.8	Very high	93.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	111.7	175	-175	0	0	0	0	110.2	I528 V530 V541 L564 T568 F572 V589 D590 F592	I528-V566 HydrophobicContact CB-CG1 4.34Å; I528-V566 HydrophobicContact CB-CG2 4.23Å; I528-V566 CarbonylContact O-C 3.59Å; I528-V566 VanDerWaalsContact O-CA 3.28Å; I528-V566 WeakPolarHBondContact O-CA 3.21Å; V530-V566 HydrophobicContact CG2-CG1 3.85Å; V541-V566 HydrophobicContact CG1-CG2 4.11Å; L564-V566 PolarHBondContact O-N 2.86Å; V566-T568 HydrophobicContact CG1-CG2 4.38Å; V566-F572 HydrophobicContact CG1-CE1 4.48Å; V566-F572 HydrophobicContact CG1-CZ 4.45Å; V566-V589 HydrophobicContact CB-CG1 3.93Å; V566-V589 HydrophobicContact CG2-CG1 3.52Å; V566-V589 HydrophobicContact CG2-CG2 4.31Å; V566-D590 PolarHBondContact N-O 2.83Å; V566-F592 PolarHBondContact O-N 2.67Å
567	L	98.7	Very high	93.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.8	170.5	-175.2	73.7	0	0	0	109	L527 I528 L529 V530 F592 I594 I597 Y598 W621 I632 F646	L527-L567 HydrophobicContact CD1-CB 4.48Å; I528-L567 PolarHBondContact O-N 3.02Å; L529-L567 HydrophobicContact CD2-CB 3.65Å; L529-L567 HydrophobicContact CD2-CD2 3.95Å; L529-L567 HydrophobicContact CD2-CG 4.43Å; V530-L567 PolarHBondContact N-O 3.29Å; L567-F592 WeakPolarHBondContact CA-O 3.44Å; L567-F592 HydrophobicContact CB-CB 4.46Å; L567-F592 HydrophobicContact CD1-CB 3.91Å; L567-F592 WeakPolarHBondContact CD1-O 3.4Å; L567-I594 HydrophobicContact CD1-CG1 3.75Å; L567-I594 HydrophobicContact CD2-CG1 4.29Å; L567-I594 HydrophobicContact CG-CD1 4.26Å; L567-I594 HydrophobicContact CG-CG1 3.69Å; L567-I597 HydrophobicContact CD1-CD1 4.09Å; L567-Y598 HydrophobicContact CD1-CE2 4.31Å; L567-W621 HydrophobicContact CB-CH2 3.87Å; L567-W621 HydrophobicContact CB-CZ3 4.21Å; L567-W621 HydrophobicContact CD1-CH2 3.98Å; L567-W621 HydrophobicContact CD1-CZ2 4Å; L567-W621 HydrophobicContact CD1-CZ3 4.36Å; L567-W621 HydrophobicContact CD2-CH2 3.82Å; L567-W621 HydrophobicContact CD2-CZ2 3.84Å; L567-W621 HydrophobicContact CG-CH2 4.1Å; L567-W621 HydrophobicContact CG-CZ2 4.38Å; L567-I632 HydrophobicContact CD2-CG2 3.86Å; L567-F646 HydrophobicContact CD2-CD1 4.1Å; L567-F646 HydrophobicContact CD2-CE1 3.57Å; L567-F646 HydrophobicContact CD2-CZ 4.32Å; L567-F646 HydrophobicContact CG-CE1 4.32Å
568	T	98.1	Very high	93.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.8	-162.7	-170.5	0	0	0	0	114.3	V566 F572 P591 F592 I593 I594	V566-T568 HydrophobicContact CG1-CG2 4.38Å; T568-F572 HydrophobicContact CG2-CB 3.63Å; T568-F572 HydrophobicContact CG2-CD1 3.69Å; T568-F572 HydrophobicContact CG2-CG 3.79Å; T568-F572 WeakPolarHBondContact OG1-CB 3.5Å; T568-F572 VanDerWaalsContact OG1-CG 3.25Å; T568-F572 WeakPolarHBondContact OG1-CG 3.43Å; T568-P591 HydrophobicContact CG2-CB 4.46Å; T568-F592 PolarHBondContact N-O 3.31Å; T568-I593 HydrophobicContact CG2-CD1 3.74Å; T568-I593 WeakPolarHBondContact O-CA 3Å; T568-I594 PolarHBondContact O-N 2.93Å
569	P	96.4	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.			trans	-52.4	154.7	165.6	-27.6	32	0	0	0	114.3	V530 M533 E571 F572	V530-P569 WeakPolarHBondContact O-CD 3.47Å; M533-P569 HydrophobicContact CG-CB 4.09Å; M533-P569 HydrophobicContact CG-CG 4.27Å; M533-P569 HydrophobicContact SD-CB 4.43Å; M533-P569 HydrophobicContact SD-CG 4.46Å; P569-E571 VanDerWaalsContact CB-OE2 3.3Å; P569-E571 WeakPolarHBondContact CB-OE2 3.42Å; P569-E571 PolarHBondContact O-N 3.33Å; P569-F572 WeakPolarHBondContact O-CB 3.37Å; P569-F572 PolarHBondContact O-N 2.9Å; P569-F572 VanDerWaalsContact O-N 3.12Å
570	S	93.5	Very high	93.5	Very high	54 Å²	54	32 Å²	32	38%	0.378	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	179.6	-57.6	0	0	0	0	113.8	F572 C573 I593	S570-F572 PolarHBondContact O-N 3.28Å; S570-C573 PolarHBondContact O-N 3.16Å; S570-I593 WeakPolarHBondContact OG-CG2 3.21Å
571	E	91.9	Very high	93.6	Very high	84 Å²	84	34.4 Å²	34.4	39%	0.393	18%	0.18	S	C	.	.	H	α-helix	trans	-62.2	-27.4	179.9	-67	86.8	169.4	0	0	113	M533 P569 C573 H574 W575 S642	M533-E571 HydrophobicContact CG-CB 3.67Å; M533-E571 HydrophobicContact SD-CB 4.48Å; P569-E571 VanDerWaalsContact CB-OE2 3.3Å; P569-E571 WeakPolarHBondContact CB-OE2 3.42Å; P569-E571 PolarHBondContact O-N 3.33Å; E571-C573 VanDerWaalsContact C-N 3.31Å; E571-C573 PolarHBondContact O-N 3.28Å; E571-H574 PolarHBondContact O-N 3.34Å; E571-W575 PolarHBondContact O-N 2.98Å; E571-S642 VanDerWaalsContact OE1-CB 3.29Å; E571-S642 WeakPolarHBondContact OE1-CB 3.26Å; E571-S642 VanDerWaalsContact OE2-CB 3.26Å; E571-S642 WeakPolarHBondContact OE2-CB 3.38Å; E571-S642 PolarHBondContact OE2-OG 2.79Å; E571-S642 VanDerWaalsContact OE2-OG 3.06Å
572	F	93.9	Very high	93.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-33.8	178.7	-171.6	-88.9	0	0	0	112.6	M533 H538 V541 F542 V566 T568 P569 S570 H574 W575 L576 V589	M533-F572 HydrophobicContact CE-CB 4.09Å; M533-F572 HydrophobicContact CE-CD2 3.99Å; M533-F572 HydrophobicContact CE-CG 4.5Å; M533-F572 HydrophobicContact SD-CB 3.72Å; M533-F572 HydrophobicContact SD-CD2 4.01Å; M533-F572 HydrophobicContact SD-CG 4.38Å; H538-F572 HydrophobicContact CB-CE2 4.4Å; V541-F572 HydrophobicContact CB-CE2 4.49Å; V541-F572 HydrophobicContact CB-CZ 4.46Å; V541-F572 HydrophobicContact CG1-CE2 4.29Å; V541-F572 HydrophobicContact CG1-CZ 3.81Å; F542-F572 HydrophobicContact CE1-CE1 4.29Å; F542-F572 HydrophobicContact CE1-CE2 4.41Å; F542-F572 AromaticContact CE1-CZ 3.7Å; F542-F572 HydrophobicContact CE1-CZ 3.7Å; F542-F572 HydrophobicContact CZ-CZ 4.15Å; V566-F572 HydrophobicContact CG1-CE1 4.48Å; V566-F572 HydrophobicContact CG1-CZ 4.45Å; T568-F572 HydrophobicContact CG2-CB 3.63Å; T568-F572 HydrophobicContact CG2-CD1 3.69Å; T568-F572 HydrophobicContact CG2-CG 3.79Å; T568-F572 WeakPolarHBondContact OG1-CB 3.5Å; T568-F572 VanDerWaalsContact OG1-CG 3.25Å; T568-F572 WeakPolarHBondContact OG1-CG 3.43Å; P569-F572 WeakPolarHBondContact O-CB 3.37Å; P569-F572 PolarHBondContact O-N 2.9Å; P569-F572 VanDerWaalsContact O-N 3.12Å; S570-F572 PolarHBondContact O-N 3.28Å; F572-H574 VanDerWaalsContact C-N 3.28Å; F572-H574 PolarHBondContact O-N 3.23Å; F572-W575 WeakPolarHBondContact O-CA 3.35Å; F572-W575 WeakPolarHBondContact O-CB 3.45Å; F572-W575 PolarHBondContact O-N 3.43Å; F572-W575 VanDerWaalsContact O-N 3.07Å; F572-L576 HydrophobicContact CD1-CB 4.37Å; F572-L576 HydrophobicContact CE1-CB 4.16Å; F572-L576 HydrophobicContact CE1-CD2 4.45Å; F572-L576 WeakPolarHBondContact O-CB 3.49Å; F572-L576 PolarHBondContact O-N 2.98Å; F572-V589 HydrophobicContact CE1-CG1 4.01Å
573	C	92.3	Very high	93.2	Very high	42 Å²	42	29.7 Å²	29.7	28%	0.284	16%	0.155	S	C	.	.	H	α-helix	trans	-59.8	-39.7	176.5	-92.1	0	0	0	0	112.4	S570 E571 W575 T577 I593	S570-C573 PolarHBondContact O-N 3.16Å; E571-C573 VanDerWaalsContact C-N 3.31Å; E571-C573 PolarHBondContact O-N 3.28Å; C573-W575 VanDerWaalsContact C-N 3.32Å; C573-T577 WeakPolarHBondContact O-CB 3.25Å; C573-T577 PolarHBondContact O-N 2.95Å; C573-T577 PolarHBondContact O-OG1 2.84Å; C573-I593 HydrophobicContact CB-CD1 4.1Å; C573-I593 WeakPolarHBondContact SG-CD1 3.36Å; C573-I593 WeakPolarHBondContact SG-CG1 3.46Å
574	H	90.1	Very high	92.6	Very high	114 Å²	114	33.3 Å²	33.3	53%	0.528	17%	0.17	S	C	.	.	H	α-helix	trans	-65.4	-40.9	175.5	-173.7	75.4	0	0	0	110.8	E571 F572 N578	E571-H574 PolarHBondContact O-N 3.34Å; F572-H574 VanDerWaalsContact C-N 3.28Å; F572-H574 PolarHBondContact O-N 3.23Å; H574-N578 PolarHBondContact CD2-ND2 2.58Å; H574-N578 PolarHBondContact CE1-ND2 2.84Å; H574-N578 PolarHBondContact NE2-ND2 3.38Å; H574-N578 VanDerWaalsContact NE2-ND2 3.15Å; H574-N578 PolarHBondContact O-N 2.96Å; H574-N578 VanDerWaalsContact O-N 3.15Å; H574-N578 PolarHBondContact O-ND2 2.93Å
575	W	91.1	Very high	92	Very high	14 Å²	14	36.2 Å²	36.2	5%	0.053	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-50.8	177.3	-176.3	-135.6	0	0	0	112	W92 L124 L127 T128 F131 M533 H538 F542 E571 F572 C573 T577 N578 F579	W92-W575 HydrophobicContact CH2-CZ2 4.35Å; W92-W575 HydrophobicContact CZ3-CZ2 4.5Å; L124-W575 HydrophobicContact CD1-CH2 3.78Å; L124-W575 HydrophobicContact CD1-CZ3 4.31Å; L127-W575 HydrophobicContact CB-CE3 4.14Å; L127-W575 HydrophobicContact CB-CZ3 3.72Å; L127-W575 HydrophobicContact CD1-CZ3 4.37Å; T128-W575 HydrophobicContact CG2-CH2 4.3Å; F131-W575 AromaticContact CE1-CD2 3.86Å; F131-W575 HydrophobicContact CE1-CD2 3.86Å; F131-W575 AromaticContact CE1-CE3 3.92Å; F131-W575 HydrophobicContact CE1-CE3 3.92Å; F131-W575 HydrophobicContact CE1-CG 4.21Å; F131-W575 HydrophobicContact CE1-CZ3 4.4Å; F131-W575 AromaticContact CZ-CD2 3.85Å; F131-W575 HydrophobicContact CZ-CD2 3.85Å; F131-W575 AromaticContact CZ-CE2 3.79Å; F131-W575 AromaticContact CZ-CE3 3.93Å; F131-W575 HydrophobicContact CZ-CE3 3.93Å; F131-W575 HydrophobicContact CZ-CH2 4.02Å; F131-W575 AromaticContact CZ-CZ2 3.91Å; F131-W575 HydrophobicContact CZ-CZ2 3.91Å; F131-W575 HydrophobicContact CZ-CZ3 4.03Å; M533-W575 HydrophobicContact CE-CB 4.37Å; H538-W575 AromaticContact ND1-CD1 4Å; H538-W575 AromaticContact ND1-NE1 3.93Å; F542-W575 AromaticContact CE2-CD1 3.49Å; F542-W575 VanDerWaalsContact CE2-CD1 3.49Å; F542-W575 HydrophobicContact CE2-CD2 4.2Å; F542-W575 AromaticContact CE2-CE2 3.58Å; F542-W575 HydrophobicContact CE2-CG 4.14Å; F542-W575 HydrophobicContact CE2-CZ2 4.14Å; F542-W575 AromaticContact CE2-NE1 3.13Å; F542-W575 AromaticContact CZ-CD1 3.53Å; F542-W575 HydrophobicContact CZ-CG 4.15Å; F542-W575 AromaticContact CZ-NE1 3.7Å; E571-W575 PolarHBondContact O-N 2.98Å; F572-W575 WeakPolarHBondContact O-CA 3.35Å; F572-W575 WeakPolarHBondContact O-CB 3.45Å; F572-W575 PolarHBondContact O-N 3.43Å; F572-W575 VanDerWaalsContact O-N 3.07Å; C573-W575 VanDerWaalsContact C-N 3.32Å; W575-T577 PolarHBondContact O-N 3.2Å; W575-N578 PolarHBondContact O-N 3.41Å; W575-F579 WeakPolarHBondContact O-CB 3.35Å; W575-F579 PolarHBondContact O-N 3.07Å
576	L	93.3	Very high	91.5	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-47.1	176.7	175.1	62.3	0	0	0	112.3	F542 F572 N578 F579 N580 V589 P591	F542-L576 HydrophobicContact CE1-CB 4.39Å; F542-L576 HydrophobicContact CE1-CD1 3.76Å; F542-L576 HydrophobicContact CZ-CB 4.33Å; F542-L576 HydrophobicContact CZ-CD1 4.34Å; F572-L576 HydrophobicContact CD1-CB 4.37Å; F572-L576 HydrophobicContact CE1-CB 4.16Å; F572-L576 HydrophobicContact CE1-CD2 4.45Å; F572-L576 WeakPolarHBondContact O-CB 3.49Å; F572-L576 PolarHBondContact O-N 2.98Å; L576-N578 VanDerWaalsContact C-N 3.31Å; L576-N578 PolarHBondContact O-N 2.67Å; L576-F579 PolarHBondContact O-N 2.97Å; L576-N580 PolarHBondContact O-N 3.31Å; L576-V589 HydrophobicContact CD1-CB 4Å; L576-V589 HydrophobicContact CD1-CG2 4.49Å; L576-V589 HydrophobicContact CD2-CB 4.05Å; L576-V589 HydrophobicContact CD2-CG1 4.01Å; L576-P591 HydrophobicContact CD2-CB 4.28Å; L576-P591 HydrophobicContact CD2-CG 3.87Å
577	T	91.5	Very high	91.1	Very high	64 Å²	64	44.6 Å²	44.6	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-42.4	-179.7	-60.3	0	0	0	0	111.3	C573 W575 K581	C573-T577 WeakPolarHBondContact O-CB 3.25Å; C573-T577 PolarHBondContact O-N 2.95Å; C573-T577 PolarHBondContact O-OG1 2.84Å; W575-T577 PolarHBondContact O-N 3.2Å; T577-K581 HydrophobicContact CG2-CD 4.19Å; T577-K581 WeakPolarHBondContact O-CB 3.33Å; T577-K581 VanDerWaalsContact O-CG 3.24Å; T577-K581 WeakPolarHBondContact O-CG 3.25Å; T577-K581 PolarHBondContact O-N 2.86Å
578	N	89	Confident	90.9	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-75.2	-33.9	178.4	-74.8	-79.9	0	0	0	112.5	R123 L127 H574 W575 L576 K581 L582	R123-N578 PolarHBondContact NH2-OD1 3.3Å; L127-N578 HydrophobicContact CD1-CB 3.42Å; L127-N578 VanDerWaalsContact CD1-CB 3.42Å; L127-N578 HydrophobicContact CD2-CB 3.87Å; L127-N578 VanDerWaalsContact CD2-CG 3.41Å; L127-N578 WeakPolarHBondContact CD2-ND2 3.43Å; L127-N578 HydrophobicContact CG-CB 4.27Å; H574-N578 PolarHBondContact CD2-ND2 2.58Å; H574-N578 PolarHBondContact CE1-ND2 2.84Å; H574-N578 PolarHBondContact NE2-ND2 3.38Å; H574-N578 VanDerWaalsContact NE2-ND2 3.15Å; H574-N578 PolarHBondContact O-N 2.96Å; H574-N578 VanDerWaalsContact O-N 3.15Å; H574-N578 PolarHBondContact O-ND2 2.93Å; W575-N578 PolarHBondContact O-N 3.41Å; L576-N578 VanDerWaalsContact C-N 3.31Å; L576-N578 PolarHBondContact O-N 2.67Å; N578-K581 PolarHBondContact O-N 3.24Å; N578-L582 VanDerWaalsContact O-CB 3.23Å; N578-L582 WeakPolarHBondContact O-CB 3.41Å; N578-L582 VanDerWaalsContact O-CG 3.31Å; N578-L582 WeakPolarHBondContact O-CG 3.43Å; N578-L582 PolarHBondContact O-N 3.44Å
579	F	89.5	Confident	90.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-52.9	173.1	171.9	-95.6	0	0	0	110.9	W92 F542 W575 L576 K581 L582 F583 Y585 I588	W92-F579 HydrophobicContact CB-CE2 4.12Å; W92-F579 HydrophobicContact CB-CZ 4.41Å; W92-F579 HydrophobicContact CD2-CD2 4.47Å; W92-F579 AromaticContact CD2-CE2 3.6Å; W92-F579 HydrophobicContact CD2-CE2 3.6Å; W92-F579 HydrophobicContact CD2-CZ 4.43Å; W92-F579 HydrophobicContact CE3-CD2 4.15Å; W92-F579 AromaticContact CE3-CE2 3.66Å; W92-F579 HydrophobicContact CE3-CE2 3.66Å; W92-F579 AromaticContact CG-CE2 3.81Å; W92-F579 HydrophobicContact CG-CE2 3.81Å; W92-F579 HydrophobicContact CG-CZ 4.23Å; W92-F579 HydrophobicContact CZ3-CD2 4.42Å; W92-F579 HydrophobicContact CZ3-CE2 4.31Å; F542-F579 HydrophobicContact CB-CD2 4.48Å; F542-F579 HydrophobicContact CB-CE1 4.1Å; F542-F579 HydrophobicContact CB-CE2 3.91Å; F542-F579 HydrophobicContact CB-CZ 3.69Å; F542-F579 HydrophobicContact CD1-CD1 4.2Å; F542-F579 HydrophobicContact CD1-CE1 4.28Å; F542-F579 HydrophobicContact CD2-CB 4.2Å; F542-F579 HydrophobicContact CD2-CD1 4.02Å; F542-F579 AromaticContact CD2-CD2 3.35Å; F542-F579 HydrophobicContact CD2-CD2 3.35Å; F542-F579 HydrophobicContact CD2-CE1 4.25Å; F542-F579 AromaticContact CD2-CE2 3.62Å; F542-F579 HydrophobicContact CD2-CE2 3.62Å; F542-F579 AromaticContact CD2-CG 3.58Å; F542-F579 HydrophobicContact CD2-CG 3.58Å; F542-F579 HydrophobicContact CD2-CZ 4.07Å; F542-F579 HydrophobicContact CE1-CD1 4.35Å; F542-F579 HydrophobicContact CE1-CG 4.5Å; F542-F579 HydrophobicContact CE2-CB 3.59Å; F542-F579 HydrophobicContact CE2-CD1 4.12Å; F542-F579 AromaticContact CE2-CD2 3.64Å; F542-F579 HydrophobicContact CE2-CD2 3.64Å; F542-F579 HydrophobicContact CE2-CE2 4.36Å; F542-F579 AromaticContact CE2-CG 3.5Å; F542-F579 HydrophobicContact CE2-CG 3.5Å; F542-F579 VanDerWaalsContact CE2-CG 3.5Å; F542-F579 HydrophobicContact CG-CD1 4.06Å; F542-F579 HydrophobicContact CG-CD2 4.04Å; F542-F579 AromaticContact CG-CE1 3.97Å; F542-F579 HydrophobicContact CG-CE1 3.97Å; F542-F579 AromaticContact CG-CE2 3.96Å; F542-F579 HydrophobicContact CG-CE2 3.96Å; F542-F579 HydrophobicContact CG-CG 4.09Å; F542-F579 AromaticContact CG-CZ 3.93Å; F542-F579 HydrophobicContact CG-CZ 3.93Å; F542-F579 HydrophobicContact CZ-CB 3.93Å; F542-F579 HydrophobicContact CZ-CD1 4.32Å; F542-F579 HydrophobicContact CZ-CG 4.03Å; W575-F579 WeakPolarHBondContact O-CB 3.35Å; W575-F579 PolarHBondContact O-N 3.07Å; L576-F579 PolarHBondContact O-N 2.97Å; F579-K581 VanDerWaalsContact C-N 3.29Å; F579-K581 PolarHBondContact O-N 3.45Å; F579-L582 PolarHBondContact O-N 2.97Å; F579-F583 AromaticContact CD2-CD2 3.44Å; F579-F583 HydrophobicContact CD2-CD2 3.44Å; F579-F583 VanDerWaalsContact CD2-CD2 3.44Å; F579-F583 AromaticContact CD2-CE2 3.67Å; F579-F583 HydrophobicContact CD2-CE2 3.67Å; F579-F583 AromaticContact CE2-CD2 3.55Å; F579-F583 HydrophobicContact CE2-CD2 3.55Å; F579-F583 AromaticContact CE2-CE2 3.88Å; F579-F583 HydrophobicContact CE2-CE2 3.88Å; F579-F583 HydrophobicContact CE2-CG 4.41Å; F579-F583 HydrophobicContact CG-CD2 4.18Å; F579-F583 HydrophobicContact CZ-CD2 4.37Å; F579-F583 WeakPolarHBondContact O-CD2 3.19Å; F579-F583 PolarHBondContact O-N 3.39Å; F579-Y585 HydrophobicContact CD1-CD2 4.5Å; F579-Y585 AromaticContact CE1-CD2 3.56Å; F579-Y585 HydrophobicContact CE1-CD2 3.56Å; F579-Y585 HydrophobicContact CE1-CE2 4.28Å; F579-Y585 HydrophobicContact CE1-CG 4.5Å; F579-Y585 HydrophobicContact CE2-CD2 4.32Å; F579-Y585 HydrophobicContact CE2-CE2 4.34Å; F579-Y585 AromaticContact CZ-CD2 3.44Å; F579-Y585 HydrophobicContact CZ-CD2 3.44Å; F579-Y585 VanDerWaalsContact CZ-CD2 3.44Å; F579-Y585 AromaticContact CZ-CE2 3.68Å; F579-Y585 HydrophobicContact CZ-CE2 3.68Å; F579-I588 HydrophobicContact CE1-CD1 4.03Å
580	N	90.6	Very high	90.8	Very high	28 Å²	28	47.3 Å²	47.3	15%	0.15	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-42.6	177.9	-66	-8.6	0	0	0	111.5	L576 H584 Y585	L576-N580 PolarHBondContact O-N 3.31Å; N580-H584 VanDerWaalsContact O-CA 3.27Å; N580-H584 WeakPolarHBondContact O-CA 3.5Å; N580-H584 PolarHBondContact O-N 2.95Å; N580-Y585 PolarHBondContact O-N 3.01Å
581	K	89	Confident	91	Very high	127 Å²	127	46.1 Å²	46.1	55%	0.552	23%	0.228	S	C	*	.	H	α-helix	trans	-67	-41.2	178.6	-74	175.9	-177.6	-176.4	0	113.3	T577 N578 F579	T577-K581 HydrophobicContact CG2-CD 4.19Å; T577-K581 WeakPolarHBondContact O-CB 3.33Å; T577-K581 VanDerWaalsContact O-CG 3.24Å; T577-K581 WeakPolarHBondContact O-CG 3.25Å; T577-K581 PolarHBondContact O-N 2.86Å; N578-K581 PolarHBondContact O-N 3.24Å; F579-K581 VanDerWaalsContact C-N 3.29Å; F579-K581 PolarHBondContact O-N 3.45Å
582	L	86.7	Confident	91.3	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-74	-37.4	-175.7	-83.7	172	0	0	0	113.1	M90 E120 R123 L124 L127 N578 F579	M90-L582 HydrophobicContact CE-CB 4.11Å; M90-L582 HydrophobicContact CE-CD2 4.09Å; E120-L582 HydrophobicContact CB-CD2 4.19Å; R123-L582 HydrophobicContact CB-CD2 4.16Å; R123-L582 HydrophobicContact CG-CD2 4.08Å; L124-L582 HydrophobicContact CB-CD1 4.21Å; L124-L582 HydrophobicContact CD1-CD1 4.15Å; L127-L582 HydrophobicContact CD1-CD1 3.37Å; L127-L582 HydrophobicContact CD1-CG 4.43Å; N578-L582 VanDerWaalsContact O-CB 3.23Å; N578-L582 WeakPolarHBondContact O-CB 3.41Å; N578-L582 VanDerWaalsContact O-CG 3.31Å; N578-L582 WeakPolarHBondContact O-CG 3.43Å; N578-L582 PolarHBondContact O-N 3.44Å; F579-L582 PolarHBondContact O-N 2.97Å
583	F	88.2	Confident	91.4	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-104.1	3.6	-176.5	-62.5	-72.2	0	0	0	113.3	M90 W92 T95 L124 F579 Y585	M90-F583 HydrophobicContact CE-CD1 4.2Å; M90-F583 HydrophobicContact CE-CE1 3.72Å; M90-F583 HydrophobicContact CE-CZ 4.02Å; M90-F583 HydrophobicContact CG-CD1 4.33Å; M90-F583 HydrophobicContact CG-CE1 4.39Å; M90-F583 HydrophobicContact SD-CE1 4.11Å; W92-F583 HydrophobicContact CE3-CD2 4.49Å; W92-F583 AromaticContact CE3-CE2 3.68Å; W92-F583 HydrophobicContact CE3-CE2 3.68Å; W92-F583 AromaticContact CE3-CZ 3.75Å; W92-F583 HydrophobicContact CE3-CZ 3.75Å; W92-F583 HydrophobicContact CZ3-CE2 4.2Å; W92-F583 HydrophobicContact CZ3-CZ 4.35Å; T95-F583 HydrophobicContact CG2-CE1 4.48Å; T95-F583 WeakPolarHBondContact OG1-CZ 3.4Å; L124-F583 HydrophobicContact CD1-CE2 4.09Å; L124-F583 HydrophobicContact CD1-CZ 4.05Å; L124-F583 HydrophobicContact CD2-CZ 4.12Å; F579-F583 AromaticContact CD2-CD2 3.44Å; F579-F583 HydrophobicContact CD2-CD2 3.44Å; F579-F583 VanDerWaalsContact CD2-CD2 3.44Å; F579-F583 AromaticContact CD2-CE2 3.67Å; F579-F583 HydrophobicContact CD2-CE2 3.67Å; F579-F583 AromaticContact CE2-CD2 3.55Å; F579-F583 HydrophobicContact CE2-CD2 3.55Å; F579-F583 AromaticContact CE2-CE2 3.88Å; F579-F583 HydrophobicContact CE2-CE2 3.88Å; F579-F583 HydrophobicContact CE2-CG 4.41Å; F579-F583 HydrophobicContact CG-CD2 4.18Å; F579-F583 HydrophobicContact CZ-CD2 4.37Å; F579-F583 WeakPolarHBondContact O-CD2 3.19Å; F579-F583 PolarHBondContact O-N 3.39Å; F583-Y585 HydrophobicContact CB-CD2 3.46Å; F583-Y585 VanDerWaalsContact CB-CD2 3.46Å; F583-Y585 HydrophobicContact CB-CE2 3.43Å; F583-Y585 VanDerWaalsContact CB-CE2 3.43Å; F583-Y585 HydrophobicContact CB-CG 4.19Å; F583-Y585 HydrophobicContact CG-CD2 4.4Å; F583-Y585 HydrophobicContact CG-CE2 4.08Å; F583-Y585 PolarHBondContact O-N 2.98Å
584	H	85.7	Confident	91.6	Very high	116 Å²	116	41.1 Å²	41.1	54%	0.537	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	37.6	-178.2	-54.6	-69.6	0	0	0	113.3	N580	N580-H584 VanDerWaalsContact O-CA 3.27Å; N580-H584 WeakPolarHBondContact O-CA 3.5Å; N580-H584 PolarHBondContact O-N 2.95Å
585	Y	85.7	Confident	91.8	Very high	62 Å²	62	37.9 Å²	37.9	24%	0.243	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-88.9	143.1	175.5	-67.3	-44	0	0	0	111.2	W92 L546 F579 N580 F583	W92-Y585 HydrophobicContact CB-CE2 3.99Å; L546-Y585 HydrophobicContact CD1-CE1 4.46Å; L546-Y585 HydrophobicContact CD2-CE2 4.36Å; F579-Y585 HydrophobicContact CD1-CD2 4.5Å; F579-Y585 AromaticContact CE1-CD2 3.56Å; F579-Y585 HydrophobicContact CE1-CD2 3.56Å; F579-Y585 HydrophobicContact CE1-CE2 4.28Å; F579-Y585 HydrophobicContact CE1-CG 4.5Å; F579-Y585 HydrophobicContact CE2-CD2 4.32Å; F579-Y585 HydrophobicContact CE2-CE2 4.34Å; F579-Y585 AromaticContact CZ-CD2 3.44Å; F579-Y585 HydrophobicContact CZ-CD2 3.44Å; F579-Y585 VanDerWaalsContact CZ-CD2 3.44Å; F579-Y585 AromaticContact CZ-CE2 3.68Å; F579-Y585 HydrophobicContact CZ-CE2 3.68Å; N580-Y585 PolarHBondContact O-N 3.01Å; F583-Y585 HydrophobicContact CB-CD2 3.46Å; F583-Y585 VanDerWaalsContact CB-CD2 3.46Å; F583-Y585 HydrophobicContact CB-CE2 3.43Å; F583-Y585 VanDerWaalsContact CB-CE2 3.43Å; F583-Y585 HydrophobicContact CB-CG 4.19Å; F583-Y585 HydrophobicContact CG-CD2 4.4Å; F583-Y585 HydrophobicContact CG-CE2 4.08Å; F583-Y585 PolarHBondContact O-N 2.98Å
586	D	86.9	Confident	91.9	Very high	102 Å²	102	40.2 Å²	40.2	55%	0.545	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-56.6	157.1	162.2	-61.9	-43.2	0	0	0	109.9	K553 I588	K553-D586 IonicContact NZ-OD2 2.58Å; D586-I588 PolarHBondContact O-N 2.84Å; D586-I588 VanDerWaalsContact O-N 3.13Å
587	Q	91.9	Very high	92	Very high	91 Å²	91	40 Å²	40	43%	0.425	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-60.8	121.4	172.6	-175.2	171.8	-7	0	0	109.5	Q559 L563 V589	Q559-Q587 PolarHBondContact NE2-O 2.76Å; L563-Q587 HydrophobicContact CD2-CB 4.35Å; L563-Q587 HydrophobicContact CD2-CG 4.07Å; L563-Q587 WeakPolarHBondContact CD2-O 3.4Å; Q587-V589 VanDerWaalsContact CG-O 3.23Å; Q587-V589 WeakPolarHBondContact CG-O 3.44Å; Q587-V589 PolarHBondContact NE2-O 2.61Å
588	I	93.5	Very high	92.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	18%	0.184	C	C	.	.			trans	-113.5	-8.5	179.2	52.6	170.7	0	0	0	112.9	A545 L546 L564 F579 D586	A545-I588 HydrophobicContact CB-CB 4.36Å; A545-I588 HydrophobicContact CB-CD1 3.88Å; A545-I588 HydrophobicContact CB-CG1 4.17Å; L546-I588 HydrophobicContact CB-CD1 4Å; L564-I588 PolarHBondContact N-O 2.79Å; F579-I588 HydrophobicContact CE1-CD1 4.03Å; D586-I588 PolarHBondContact O-N 2.84Å; D586-I588 VanDerWaalsContact O-N 3.13Å
589	V	97.2	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.8	-178.5	167.5	0	0	0	0	109.5	V541 F542 A545 L564 V566 F572 L576 Q587 P591	V541-V589 HydrophobicContact CG1-CG2 4.34Å; F542-V589 HydrophobicContact CD1-CG2 4.46Å; A545-V589 HydrophobicContact CB-CG2 3.73Å; L564-V589 WeakPolarHBondContact O-CA 3.41Å; V566-V589 HydrophobicContact CB-CG1 3.93Å; V566-V589 HydrophobicContact CG2-CG1 3.52Å; V566-V589 HydrophobicContact CG2-CG2 4.31Å; F572-V589 HydrophobicContact CE1-CG1 4.01Å; L576-V589 HydrophobicContact CD1-CB 4Å; L576-V589 HydrophobicContact CD1-CG2 4.49Å; L576-V589 HydrophobicContact CD2-CB 4.05Å; L576-V589 HydrophobicContact CD2-CG1 4.01Å; Q587-V589 VanDerWaalsContact CG-O 3.23Å; Q587-V589 WeakPolarHBondContact CG-O 3.44Å; Q587-V589 PolarHBondContact NE2-O 2.61Å; V589-P591 WeakPolarHBondContact O-CD 3.23Å
590	D	96.3	Very high	91.8	Very high	54 Å²	54	46 Å²	46	29%	0.289	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	98.6	168.6	-173.2	18.9	0	0	0	109.4	L563 L564 P565 V566 F592	L563-D590 HydrophobicContact CB-CB 3.96Å; L563-D590 HydrophobicContact CD1-CB 4.24Å; L564-D590 PolarHBondContact O-N 2.62Å; P565-D590 CarbonylContact C-O 3.49Å; P565-D590 WeakPolarHBondContact CA-O 3.24Å; V566-D590 PolarHBondContact N-O 2.83Å; D590-F592 PolarHBondContact O-N 2.94Å; D590-F592 WeakPolarHBondContact OD2-CE2 3.43Å
591	P	97	Very high	91	Very high	30 Å²	30	49.5 Å²	49.5	20%	0.195	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.7	-172.9	32.5	-34.8	0	0	0	112.1	T568 L576 V589 I593	T568-P591 HydrophobicContact CG2-CB 4.46Å; L576-P591 HydrophobicContact CD2-CB 4.28Å; L576-P591 HydrophobicContact CD2-CG 3.87Å; V589-P591 WeakPolarHBondContact O-CD 3.23Å; P591-I593 HydrophobicContact CB-CD1 4.4Å
592	F	97.7	Very high	90.1	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	100.8	169.3	-74.8	-81	0	0	0	109	P565 V566 L567 T568 D590 I594 I597 N620 W621 L624	P565-F592 HydrophobicContact CB-CD2 4.07Å; P565-F592 HydrophobicContact CB-CE2 3.79Å; P565-F592 HydrophobicContact CG-CE2 4.32Å; V566-F592 PolarHBondContact O-N 2.67Å; L567-F592 WeakPolarHBondContact CA-O 3.44Å; L567-F592 HydrophobicContact CB-CB 4.46Å; L567-F592 HydrophobicContact CD1-CB 3.91Å; L567-F592 WeakPolarHBondContact CD1-O 3.4Å; T568-F592 PolarHBondContact N-O 3.31Å; D590-F592 PolarHBondContact O-N 2.94Å; D590-F592 WeakPolarHBondContact OD2-CE2 3.43Å; F592-I594 PolarHBondContact O-N 2.87Å; F592-I597 VanDerWaalsContact C-CD1 3.5Å; F592-I597 HydrophobicContact CB-CD1 3.31Å; F592-I597 HydrophobicContact CD1-CD1 3.54Å; F592-I597 HydrophobicContact CG-CD1 3.89Å; F592-N620 HydrophobicContact CE1-CB 4.25Å; F592-N620 HydrophobicContact CZ-CB 4.39Å; F592-W621 HydrophobicContact CB-CE3 4.11Å; F592-W621 HydrophobicContact CB-CZ3 4.34Å; F592-W621 HydrophobicContact CD1-CB 3.76Å; F592-W621 HydrophobicContact CD1-CD2 4.21Å; F592-W621 AromaticContact CD1-CE3 3.71Å; F592-W621 HydrophobicContact CD1-CE3 3.71Å; F592-W621 HydrophobicContact CD1-CG 4.28Å; F592-W621 HydrophobicContact CD2-CE3 4.05Å; F592-W621 HydrophobicContact CD2-CZ3 4.33Å; F592-W621 HydrophobicContact CE1-CB 3.7Å; F592-W621 HydrophobicContact CE1-CE3 4.13Å; F592-W621 HydrophobicContact CE2-CE3 4.44Å; F592-W621 HydrophobicContact CG-CD2 4.49Å; F592-W621 AromaticContact CG-CE3 3.66Å; F592-W621 HydrophobicContact CG-CE3 3.66Å; F592-W621 HydrophobicContact CG-CZ3 4.18Å; F592-W621 HydrophobicContact CZ-CE3 4.48Å; F592-L624 HydrophobicContact CE2-CD2 4.37Å
593	I	97.1	Very high	88.8	Confident	11 Å²	11	53.7 Å²	53.7	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.1	-174.1	-60.3	-66	0	0	0	111	T568 S570 C573 P591 I596 I597	T568-I593 HydrophobicContact CG2-CD1 3.74Å; T568-I593 WeakPolarHBondContact O-CA 3Å; S570-I593 WeakPolarHBondContact OG-CG2 3.21Å; C573-I593 HydrophobicContact CB-CD1 4.1Å; C573-I593 WeakPolarHBondContact SG-CD1 3.36Å; C573-I593 WeakPolarHBondContact SG-CG1 3.46Å; P591-I593 HydrophobicContact CB-CD1 4.4Å; I593-I596 HydrophobicContact CB-CB 4.15Å; I593-I596 HydrophobicContact CB-CD1 3.83Å; I593-I596 HydrophobicContact CB-CG1 3.98Å; I593-I596 HydrophobicContact CG1-CD1 4.31Å; I593-I596 HydrophobicContact CG2-CB 4.34Å; I593-I596 HydrophobicContact CG2-CD1 3.92Å; I593-I596 HydrophobicContact CG2-CG1 3.8Å; I593-I596 WeakPolarHBondContact O-CB 3.44Å; I593-I596 PolarHBondContact O-N 2.85Å; I593-I597 PolarHBondContact O-N 2.99Å
594	I	96.4	Very high	87.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-55.4	-52.3	-171.6	-64.4	162.5	0	0	0	112	L567 T568 F592 I596 I597 Y598 P634 W644 F646	L567-I594 HydrophobicContact CD1-CG1 3.75Å; L567-I594 HydrophobicContact CD2-CG1 4.29Å; L567-I594 HydrophobicContact CG-CD1 4.26Å; L567-I594 HydrophobicContact CG-CG1 3.69Å; T568-I594 PolarHBondContact O-N 2.93Å; F592-I594 PolarHBondContact O-N 2.87Å; I594-I596 PolarHBondContact O-N 2.94Å; I594-I596 VanDerWaalsContact O-N 3.11Å; I594-I597 PolarHBondContact O-N 3.38Å; I594-Y598 HydrophobicContact CG2-CD2 4.34Å; I594-Y598 PolarHBondContact O-N 2.87Å; I594-P634 HydrophobicContact CG2-CB 3.82Å; I594-P634 HydrophobicContact CG2-CG 3.75Å; I594-W644 HydrophobicContact CB-CD2 4.44Å; I594-W644 HydrophobicContact CB-CZ2 4.23Å; I594-W644 HydrophobicContact CD1-CB 4.13Å; I594-W644 HydrophobicContact CD1-CD2 3.95Å; I594-W644 HydrophobicContact CD1-CG 3.63Å; I594-W644 HydrophobicContact CG2-CD2 3.81Å; I594-W644 HydrophobicContact CG2-CE3 3.7Å; I594-W644 HydrophobicContact CG2-CH2 3.57Å; I594-W644 HydrophobicContact CG2-CZ2 3.74Å; I594-W644 HydrophobicContact CG2-CZ3 3.56Å; I594-F646 HydrophobicContact CD1-CE1 3.85Å; I594-F646 HydrophobicContact CD1-CZ 3.91Å
595	P	93.6	Very high	86.4	Confident	47 Å²	47	55.2 Å²	55.2	31%	0.305	28%	0.277	S	S	.	.	H	α-helix	trans	-70.4	-1.8	178.1	-22.5	36	0	0	0	116.3	W644	P595-W644 HydrophobicContact CG-CH2 4.22Å; P595-W644 HydrophobicContact CG-CZ2 3.77Å
596	I	93.6	Very high	85.2	Confident	63 Å²	63	56.4 Å²	56.4	32%	0.323	29%	0.288	S	S	.	.	H	α-helix	trans	-95.2	-42.7	172.5	-64.3	-177.9	0	0	0	109.7	I593 I594 R615	I593-I596 HydrophobicContact CB-CB 4.15Å; I593-I596 HydrophobicContact CB-CD1 3.83Å; I593-I596 HydrophobicContact CB-CG1 3.98Å; I593-I596 HydrophobicContact CG1-CD1 4.31Å; I593-I596 HydrophobicContact CG2-CB 4.34Å; I593-I596 HydrophobicContact CG2-CD1 3.92Å; I593-I596 HydrophobicContact CG2-CG1 3.8Å; I593-I596 WeakPolarHBondContact O-CB 3.44Å; I593-I596 PolarHBondContact O-N 2.85Å; I594-I596 PolarHBondContact O-N 2.94Å; I594-I596 VanDerWaalsContact O-N 3.11Å; I596-R615 HydrophobicContact CG2-CG 4.29Å
597	I	94.4	Very high	83.9	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-81.2	-31	-176.9	-62.5	161.7	0	0	0	111.5	L567 F592 I593 I594 L611 N612 T618 W621	L567-I597 HydrophobicContact CD1-CD1 4.09Å; F592-I597 VanDerWaalsContact C-CD1 3.5Å; F592-I597 HydrophobicContact CB-CD1 3.31Å; F592-I597 HydrophobicContact CD1-CD1 3.54Å; F592-I597 HydrophobicContact CG-CD1 3.89Å; I593-I597 PolarHBondContact O-N 2.99Å; I594-I597 PolarHBondContact O-N 3.38Å; I597-L611 HydrophobicContact CG2-CD2 4.04Å; I597-L611 CarbonylContact O-C 3.54Å; I597-L611 WeakPolarHBondContact O-CA 3.4Å; I597-N612 PolarHBondContact O-N 3.24Å; I597-T618 HydrophobicContact CG2-CG2 4.47Å; I597-W621 HydrophobicContact CD1-CG 4.48Å; I597-W621 HydrophobicContact CG2-CB 4.34Å; I597-W621 VanDerWaalsContact CG2-CD1 3.47Å; I597-W621 HydrophobicContact CG2-CG 3.93Å
598	Y	93.6	Very high	82.8	Confident	6 Å²	6	50.1 Å²	50.1	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.9	179.7	-61.1	-95.6	0	0	0	110	L567 I594 W609 V610 L611 W621 I632 P634	L567-Y598 HydrophobicContact CD1-CE2 4.31Å; I594-Y598 HydrophobicContact CG2-CD2 4.34Å; I594-Y598 PolarHBondContact O-N 2.87Å; Y598-W609 VanDerWaalsContact O-CE3 3.28Å; Y598-W609 VanDerWaalsContact O-CZ3 3.25Å; Y598-W609 WeakPolarHBondContact O-CZ3 3.26Å; Y598-V610 CarbonylContact C-O 3.56Å; Y598-V610 VanDerWaalsContact CA-O 3.26Å; Y598-V610 WeakPolarHBondContact CA-O 3.43Å; Y598-L611 HydrophobicContact CD1-CD2 4.08Å; Y598-L611 HydrophobicContact CD1-CG 4.38Å; Y598-L611 HydrophobicContact CE1-CD2 3.54Å; Y598-L611 HydrophobicContact CE1-CG 4.01Å; Y598-L611 HydrophobicContact CE2-CD2 4.44Å; Y598-W621 AromaticContact CE2-NE1 3.86Å; Y598-W621 AromaticContact CZ-NE1 3.63Å; Y598-W621 PolarHBondContact OH-NE1 3.41Å; Y598-I632 PolarHBondContact OH-O 3Å; Y598-P634 HydrophobicContact CD1-CG 3.89Å; Y598-P634 HydrophobicContact CD2-CG 3.59Å; Y598-P634 VanDerWaalsContact CE1-CD 3.44Å; Y598-P634 HydrophobicContact CE1-CG 4.06Å; Y598-P634 HydrophobicContact CE2-CG 3.8Å; Y598-P634 HydrophobicContact CG-CG 3.64Å; Y598-P634 VanDerWaalsContact CZ-CD 3.49Å
599	D	88.9	Confident	82.2	Confident	68 Å²	68	51.3 Å²	51.3	36%	0.364	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.2	171.6	-73.2	-24.6	0	0	0	110	H601 W609 V610 N612	D599-H601 PolarHBondContact O-N 3.46Å; D599-W609 WeakPolarHBondContact O-CA 3.36Å; D599-V610 PolarHBondContact N-O 3.47Å; D599-V610 PolarHBondContact O-N 3Å; D599-N612 VanDerWaalsContact CG-ND2 3.3Å; D599-N612 PolarHBondContact OD1-ND2 3.42Å; D599-N612 WeakPolarHBondContact OD2-CB 3.48Å; D599-N612 PolarHBondContact OD2-ND2 3.29Å
600	K	83.1	Confident	81.6	Confident	130 Å²	130	53.8 Å²	53.8	57%	0.565	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.8	171.7	-173.1	178.8	-179.7	-179.8	0	109.6	W609	K600-W609 HydrophobicContact CB-CD2 4.29Å; K600-W609 HydrophobicContact CB-CE3 4.34Å; K600-W609 HydrophobicContact CB-CH2 3.93Å; K600-W609 HydrophobicContact CB-CZ2 3.89Å; K600-W609 HydrophobicContact CB-CZ3 4.17Å; K600-W609 HydrophobicContact CD-CZ2 4.28Å; K600-W609 HydrophobicContact CG-CZ2 4.18Å
601	H	75.4	Confident	81.2	Confident	101 Å²	101	52.8 Å²	52.8	47%	0.468	28%	0.275	S	S	.	.			trans	-91.9	-177.9	171.7	-158.9	-90.8	0	0	0	110.4	D599 S605 S608 V610	D599-H601 PolarHBondContact O-N 3.46Å; H601-S605 WeakPolarHBondContact CB-OG 3.44Å; H601-S605 VanDerWaalsContact ND1-CB 3.32Å; H601-S605 WeakPolarHBondContact ND1-CB 3.34Å; H601-S605 PolarHBondContact ND1-OG 3.09Å; H601-S608 PolarHBondContact N-O 2.85Å; H601-V610 HydrophobicContact CB-CG1 4.14Å; H601-V610 HydrophobicContact CB-CG2 4.14Å
602	D	68.6	Low	80.9	Confident	98 Å²	98	52 Å²	52	52%	0.524	27%	0.269	S	S	.	.			trans	-54.2	142.1	177.2	-170.4	9.7	0	0	0	111.7	N604 S605	D602-N604 PolarHBondContact O-N 2.66Å; D602-S605 PolarHBondContact O-N 3.5Å; D602-S605 PolarHBondContact O-OG 3.06Å
603	K	60.1	Low	80.3	Confident	124 Å²	124	56.2 Å²	56.2	54%	0.539	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.5	-179.7	-69.8	-174.7	177.8	-177.8	0	112.9	R690	K603-R690 PolarHBondContact O-NH1 2.87Å
604	N	62.4	Low	79.8	Confident	132 Å²	132	65 Å²	65	71%	0.706	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-14	178	-64.7	-30.5	0	0	0	113.2	D602	D602-N604 PolarHBondContact O-N 2.66Å
605	S	61.5	Low	79.3	Confident	27 Å²	27	70.9 Å²	70.9	19%	0.189	35%	0.35	C	S	.	.	S	Bend	trans	-76.7	143.7	175.1	70.8	0	0	0	0	111	H601 D602 P607 S608	H601-S605 WeakPolarHBondContact CB-OG 3.44Å; H601-S605 VanDerWaalsContact ND1-CB 3.32Å; H601-S605 WeakPolarHBondContact ND1-CB 3.34Å; H601-S605 PolarHBondContact ND1-OG 3.09Å; D602-S605 PolarHBondContact O-N 3.5Å; D602-S605 PolarHBondContact O-OG 3.06Å; S605-P607 CarbonylContact C-O 3.15Å; S605-P607 CarbonylContact O-C 3.56Å; S605-P607 VanDerWaalsContact O-C 3.24Å; S605-P607 PolarHBondContact OG-O 3.42Å; S605-S608 WeakPolarHBondContact O-CA 3.08Å; S605-S608 PolarHBondContact O-N 2.97Å; S605-S608 PolarHBondContact O-OG 3.48Å
606	N	59.4	Low	79	Confident	88 Å²	88	74.6 Å²	74.6	47%	0.471	37%	0.367	S	S	.	.	S	Bend	trans	-121.5	107.4	170.2	-171.5	12.2	0	0	0	108.3	R690 A691	N606-R690 PolarHBondContact ND2-O 2.69Å; N606-R690 VanDerWaalsContact ND2-O 3.11Å; N606-A691 WeakPolarHBondContact OD1-CA 3.22Å
607	P	60.8	Low	78.9	Confident	41 Å²	41	75.7 Å²	75.7	27%	0.266	37%	0.371	S	S	.	.	S	Bend	cis	-76.6	155.3	5.3	31.6	-34.5	0	0	0	113.5	S605 W609 V610	S605-P607 CarbonylContact C-O 3.15Å; S605-P607 CarbonylContact O-C 3.56Å; S605-P607 VanDerWaalsContact O-C 3.24Å; S605-P607 PolarHBondContact OG-O 3.42Å; P607-W609 VanDerWaalsContact C-N 3.25Å; P607-W609 WeakPolarHBondContact CG-O 3.41Å; P607-V610 HydrophobicContact CG-CG1 4.45Å
608	S	68.1	Low	78.7	Confident	19 Å²	19	75.7 Å²	75.7	13%	0.133	37%	0.371	C	S	.	.	S	Bend	trans	-80.4	-9	174.4	-46.9	0	0	0	0	112.8	H601 S605	H601-S608 PolarHBondContact N-O 2.85Å; S605-S608 WeakPolarHBondContact O-CA 3.08Å; S605-S608 PolarHBondContact O-N 2.97Å; S605-S608 PolarHBondContact O-OG 3.48Å
609	W	81.1	Confident	78.6	Confident	28 Å²	28	80.3 Å²	80.3	11%	0.106	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.5	175.1	-72.8	79.4	0	0	0	108.7	Y598 D599 K600 P607 K636 W644	Y598-W609 VanDerWaalsContact O-CE3 3.28Å; Y598-W609 VanDerWaalsContact O-CZ3 3.25Å; Y598-W609 WeakPolarHBondContact O-CZ3 3.26Å; D599-W609 WeakPolarHBondContact O-CA 3.36Å; K600-W609 HydrophobicContact CB-CD2 4.29Å; K600-W609 HydrophobicContact CB-CE3 4.34Å; K600-W609 HydrophobicContact CB-CH2 3.93Å; K600-W609 HydrophobicContact CB-CZ2 3.89Å; K600-W609 HydrophobicContact CB-CZ3 4.17Å; K600-W609 HydrophobicContact CD-CZ2 4.28Å; K600-W609 HydrophobicContact CG-CZ2 4.18Å; P607-W609 VanDerWaalsContact C-N 3.25Å; P607-W609 WeakPolarHBondContact CG-O 3.41Å; W609-K636 HydrophobicContact CZ2-CB 4.46Å; W609-K636 HydrophobicContact CZ2-CD 4.14Å; W609-W644 HydrophobicContact CD2-CH2 4.15Å; W609-W644 AromaticContact CD2-CZ3 3.83Å; W609-W644 HydrophobicContact CD2-CZ3 3.83Å; W609-W644 AromaticContact CE2-CH2 3.86Å; W609-W644 AromaticContact CE2-CZ3 3.64Å; W609-W644 HydrophobicContact CE3-CH2 4.06Å; W609-W644 HydrophobicContact CE3-CZ3 4.11Å; W609-W644 HydrophobicContact CG-CZ3 4.4Å; W609-W644 AromaticContact CH2-CH2 3.48Å; W609-W644 HydrophobicContact CH2-CH2 3.48Å; W609-W644 VanDerWaalsContact CH2-CH2 3.48Å; W609-W644 HydrophobicContact CH2-CZ3 4.14Å; W609-W644 AromaticContact CZ2-CH2 3.53Å; W609-W644 HydrophobicContact CZ2-CH2 3.53Å; W609-W644 AromaticContact CZ2-CZ3 3.81Å; W609-W644 HydrophobicContact CZ2-CZ3 3.81Å; W609-W644 AromaticContact CZ3-CH2 3.74Å; W609-W644 HydrophobicContact CZ3-CH2 3.74Å; W609-W644 HydrophobicContact CZ3-CZ3 4.26Å
610	V	84.6	Confident	78.8	Confident	52 Å²	52	81.3 Å²	81.3	32%	0.315	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.9	-175.9	-62	0	0	0	0	110.5	Y598 D599 H601 P607 N612	Y598-V610 CarbonylContact C-O 3.56Å; Y598-V610 VanDerWaalsContact CA-O 3.26Å; Y598-V610 WeakPolarHBondContact CA-O 3.43Å; D599-V610 PolarHBondContact N-O 3.47Å; D599-V610 PolarHBondContact O-N 3Å; H601-V610 HydrophobicContact CB-CG1 4.14Å; H601-V610 HydrophobicContact CB-CG2 4.14Å; P607-V610 HydrophobicContact CG-CG1 4.45Å; V610-N612 PolarHBondContact O-N 2.94Å
611	L	88.6	Confident	79.4	Confident	34 Å²	34	75.1 Å²	75.1	18%	0.178	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	129.6	-179.1	-70.1	161.2	0	0	0	111.6	I597 Y598 M613 T618 L622 F654	I597-L611 HydrophobicContact CG2-CD2 4.04Å; I597-L611 CarbonylContact O-C 3.54Å; I597-L611 WeakPolarHBondContact O-CA 3.4Å; Y598-L611 HydrophobicContact CD1-CD2 4.08Å; Y598-L611 HydrophobicContact CD1-CG 4.38Å; Y598-L611 HydrophobicContact CE1-CD2 3.54Å; Y598-L611 HydrophobicContact CE1-CG 4.01Å; Y598-L611 HydrophobicContact CE2-CD2 4.44Å; L611-M613 HydrophobicContact CB-SD 4.16Å; L611-M613 PolarHBondContact O-N 3.2Å; L611-M613 VanDerWaalsContact O-N 3.16Å; L611-T618 HydrophobicContact CB-CG2 4.24Å; L611-T618 HydrophobicContact CD2-CG2 4.1Å; L611-L622 HydrophobicContact CD1-CD2 3.63Å; L611-L622 HydrophobicContact CD2-CD2 4.45Å; L611-F654 HydrophobicContact CD1-CE2 4.41Å
612	N	89.6	Confident	80.3	Confident	14 Å²	14	71.3 Å²	71.3	8%	0.075	35%	0.354	C	S	.	.			trans	-81.9	89	173.5	-172.2	-20.3	0	0	0	109.6	I597 D599 V610 K614 R615 T618	I597-N612 PolarHBondContact O-N 3.24Å; D599-N612 VanDerWaalsContact CG-ND2 3.3Å; D599-N612 PolarHBondContact OD1-ND2 3.42Å; D599-N612 WeakPolarHBondContact OD2-CB 3.48Å; D599-N612 PolarHBondContact OD2-ND2 3.29Å; V610-N612 PolarHBondContact O-N 2.94Å; N612-K614 PolarHBondContact O-N 2.9Å; N612-K614 WeakPolarHBondContact OD1-CB 3.19Å; N612-K614 PolarHBondContact OD1-N 3.03Å; N612-K614 VanDerWaalsContact OD1-N 3.12Å; N612-R615 HydrophobicContact CB-CG 4.34Å; N612-R615 PolarHBondContact O-N 3.45Å; N612-T618 VanDerWaalsContact O-CB 3.28Å; N612-T618 WeakPolarHBondContact O-CB 3.16Å; N612-T618 PolarHBondContact O-OG1 3Å
613	M	86.1	Confident	81.4	Confident	97 Å²	97	71.1 Å²	71.1	48%	0.478	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-2.6	-178.7	-61.5	-57	-55.5	0	0	114.5	L611 R615 T618 L622 I663	L611-M613 HydrophobicContact CB-SD 4.16Å; L611-M613 PolarHBondContact O-N 3.2Å; L611-M613 VanDerWaalsContact O-N 3.16Å; M613-R615 VanDerWaalsContact C-N 3.33Å; M613-T618 HydrophobicContact SD-CG2 4.13Å; M613-L622 HydrophobicContact CE-CD1 3.85Å; M613-L622 HydrophobicContact SD-CD1 3.92Å; M613-I663 HydrophobicContact CE-CD1 3.41Å; M613-I663 VanDerWaalsContact CE-CD1 3.41Å; M613-I663 HydrophobicContact CG-CD1 3.9Å; M613-I663 HydrophobicContact SD-CD1 3.74Å
614	K	86.3	Confident	83.2	Confident	194 Å²	194	66 Å²	66	84%	0.843	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.6	178.7	-55.3	179.3	-178.3	172.6	0	113	N612	N612-K614 PolarHBondContact O-N 2.9Å; N612-K614 WeakPolarHBondContact OD1-CB 3.19Å; N612-K614 PolarHBondContact OD1-N 3.03Å; N612-K614 VanDerWaalsContact OD1-N 3.12Å
615	R	85.9	Confident	84.8	Confident	124 Å²	124	59.7 Å²	59.7	47%	0.468	29%	0.293	S	S	.	.			trans	-107.2	135.3	-174.9	-65.5	-66.4	-174.6	174.4	0	110.8	I596 N612 M613 E617 T618	I596-R615 HydrophobicContact CG2-CG 4.29Å; N612-R615 HydrophobicContact CB-CG 4.34Å; N612-R615 PolarHBondContact O-N 3.45Å; M613-R615 VanDerWaalsContact C-N 3.33Å; R615-E617 WeakPolarHBondContact CB-OE2 3.48Å; R615-E617 PolarHBondContact O-N 2.94Å; R615-T618 WeakPolarHBondContact O-CB 3.33Å; R615-T618 PolarHBondContact O-N 3.43Å
616	N	87.3	Confident	86.3	Confident	125 Å²	125	61.9 Å²	61.9	67%	0.668	30%	0.301	S	S	*	.	H	α-helix	trans	-66.5	-32.9	175.9	-68.8	-5.3	0	0	0	110.9	T618 E619 N620	N616-T618 PolarHBondContact O-N 3.35Å; N616-E619 WeakPolarHBondContact O-CB 3.25Å; N616-E619 PolarHBondContact O-N 2.99Å; N616-N620 PolarHBondContact O-N 2.89Å
617	E	90.3	Very high	88	Confident	87 Å²	87	64.7 Å²	64.7	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-57.6	-35.4	175.1	-58.7	88.7	158.2	0	0	111.4	R615 E619 N620 W621	R615-E617 WeakPolarHBondContact CB-OE2 3.48Å; R615-E617 PolarHBondContact O-N 2.94Å; E617-E619 VanDerWaalsContact C-N 3.34Å; E617-E619 PolarHBondContact O-N 3.48Å; E617-N620 PolarHBondContact O-N 3.15Å; E617-W621 WeakPolarHBondContact O-CB 3.06Å; E617-W621 PolarHBondContact O-N 3.28Å
618	T	92.2	Very high	89.7	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-33.8	176.1	-55.2	0	0	0	0	111.9	I597 L611 N612 M613 R615 N616 W621 L622	I597-T618 HydrophobicContact CG2-CG2 4.47Å; L611-T618 HydrophobicContact CB-CG2 4.24Å; L611-T618 HydrophobicContact CD2-CG2 4.1Å; N612-T618 VanDerWaalsContact O-CB 3.28Å; N612-T618 WeakPolarHBondContact O-CB 3.16Å; N612-T618 PolarHBondContact O-OG1 3Å; M613-T618 HydrophobicContact SD-CG2 4.13Å; R615-T618 WeakPolarHBondContact O-CB 3.33Å; R615-T618 PolarHBondContact O-N 3.43Å; N616-T618 PolarHBondContact O-N 3.35Å; T618-W621 WeakPolarHBondContact O-CB 3.34Å; T618-W621 PolarHBondContact O-N 3.42Å; T618-L622 HydrophobicContact CG2-CD1 4.1Å; T618-L622 HydrophobicContact CG2-CG 4.41Å; T618-L622 WeakPolarHBondContact O-CB 3.15Å; T618-L622 VanDerWaalsContact O-CG 3.24Å; T618-L622 WeakPolarHBondContact O-CG 3.17Å; T618-L622 PolarHBondContact O-N 3.42Å
619	E	90.8	Very high	91	Very high	104 Å²	104	64.3 Å²	64.3	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-44.8	176.3	-167.7	-170.3	151.2	0	0	111.3	N616 E617 W621 L622 K623	N616-E619 WeakPolarHBondContact O-CB 3.25Å; N616-E619 PolarHBondContact O-N 2.99Å; E617-E619 VanDerWaalsContact C-N 3.34Å; E617-E619 PolarHBondContact O-N 3.48Å; E619-W621 VanDerWaalsContact C-N 3.31Å; E619-W621 PolarHBondContact O-N 3.05Å; E619-L622 PolarHBondContact O-N 3.29Å; E619-K623 WeakPolarHBondContact O-CG 3.41Å; E619-K623 PolarHBondContact O-N 3.44Å; E619-K623 VanDerWaalsContact OE1-CE 3.26Å; E619-K623 WeakPolarHBondContact OE1-CE 3.38Å; E619-K623 IonicContact OE1-NZ 3.48Å; E619-K623 PolarHBondContact OE1-NZ 3.44Å
620	N	92.7	Very high	91.7	Very high	88 Å²	88	63 Å²	63	47%	0.471	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-39.4	175.6	-69.5	-19	0	0	0	111.6	F592 N616 E617 K623 L624	F592-N620 HydrophobicContact CE1-CB 4.25Å; F592-N620 HydrophobicContact CZ-CB 4.39Å; N616-N620 PolarHBondContact O-N 2.89Å; E617-N620 PolarHBondContact O-N 3.15Å; N620-K623 PolarHBondContact O-N 3.1Å; N620-L624 PolarHBondContact O-N 3.07Å
621	W	95.6	Very high	92.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-46.5	173.9	177.6	-117.1	0	0	0	112.1	L527 L567 F592 I597 Y598 E617 T618 E619 K623 L624 L625 I632	L527-W621 HydrophobicContact CD1-CH2 4.24Å; L527-W621 HydrophobicContact CD1-CZ3 3.85Å; L527-W621 HydrophobicContact CD2-CH2 3.92Å; L527-W621 HydrophobicContact CD2-CZ3 4.11Å; L567-W621 HydrophobicContact CB-CH2 3.87Å; L567-W621 HydrophobicContact CB-CZ3 4.21Å; L567-W621 HydrophobicContact CD1-CH2 3.98Å; L567-W621 HydrophobicContact CD1-CZ2 4Å; L567-W621 HydrophobicContact CD1-CZ3 4.36Å; L567-W621 HydrophobicContact CD2-CH2 3.82Å; L567-W621 HydrophobicContact CD2-CZ2 3.84Å; L567-W621 HydrophobicContact CG-CH2 4.1Å; L567-W621 HydrophobicContact CG-CZ2 4.38Å; F592-W621 HydrophobicContact CB-CE3 4.11Å; F592-W621 HydrophobicContact CB-CZ3 4.34Å; F592-W621 HydrophobicContact CD1-CB 3.76Å; F592-W621 HydrophobicContact CD1-CD2 4.21Å; F592-W621 AromaticContact CD1-CE3 3.71Å; F592-W621 HydrophobicContact CD1-CE3 3.71Å; F592-W621 HydrophobicContact CD1-CG 4.28Å; F592-W621 HydrophobicContact CD2-CE3 4.05Å; F592-W621 HydrophobicContact CD2-CZ3 4.33Å; F592-W621 HydrophobicContact CE1-CB 3.7Å; F592-W621 HydrophobicContact CE1-CE3 4.13Å; F592-W621 HydrophobicContact CE2-CE3 4.44Å; F592-W621 HydrophobicContact CG-CD2 4.49Å; F592-W621 AromaticContact CG-CE3 3.66Å; F592-W621 HydrophobicContact CG-CE3 3.66Å; F592-W621 HydrophobicContact CG-CZ3 4.18Å; F592-W621 HydrophobicContact CZ-CE3 4.48Å; I597-W621 HydrophobicContact CD1-CG 4.48Å; I597-W621 HydrophobicContact CG2-CB 4.34Å; I597-W621 VanDerWaalsContact CG2-CD1 3.47Å; I597-W621 HydrophobicContact CG2-CG 3.93Å; Y598-W621 AromaticContact CE2-NE1 3.86Å; Y598-W621 AromaticContact CZ-NE1 3.63Å; Y598-W621 PolarHBondContact OH-NE1 3.41Å; E617-W621 WeakPolarHBondContact O-CB 3.06Å; E617-W621 PolarHBondContact O-N 3.28Å; T618-W621 WeakPolarHBondContact O-CB 3.34Å; T618-W621 PolarHBondContact O-N 3.42Å; E619-W621 VanDerWaalsContact C-N 3.31Å; E619-W621 PolarHBondContact O-N 3.05Å; W621-K623 PolarHBondContact O-N 2.85Å; W621-L624 HydrophobicContact CE3-CD2 4.22Å; W621-L624 HydrophobicContact CZ3-CD2 4.1Å; W621-L624 WeakPolarHBondContact O-CB 3.34Å; W621-L624 PolarHBondContact O-N 3.27Å; W621-L625 HydrophobicContact CD2-CD1 4.42Å; W621-L625 HydrophobicContact CD2-CG 4.28Å; W621-L625 HydrophobicContact CH2-CD2 4.1Å; W621-L625 HydrophobicContact CZ2-CD1 4.05Å; W621-L625 HydrophobicContact CZ2-CD2 3.83Å; W621-L625 HydrophobicContact CZ2-CG 4.11Å; W621-L625 WeakPolarHBondContact O-CG 3.47Å; W621-L625 PolarHBondContact O-N 2.87Å; W621-I632 HydrophobicContact CH2-CD1 3.97Å; W621-I632 HydrophobicContact CZ2-CB 4.03Å; W621-I632 HydrophobicContact CZ2-CD1 4.18Å; W621-I632 HydrophobicContact CZ2-CG2 4.37Å
622	L	93.5	Very high	92.5	Very high	22 Å²	22	59.6 Å²	59.6	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-39	179.1	-72.2	168.8	0	0	0	112.5	L611 M613 T618 E619 L624 L625 E626 Y652	L611-L622 HydrophobicContact CD1-CD2 3.63Å; L611-L622 HydrophobicContact CD2-CD2 4.45Å; M613-L622 HydrophobicContact CE-CD1 3.85Å; M613-L622 HydrophobicContact SD-CD1 3.92Å; T618-L622 HydrophobicContact CG2-CD1 4.1Å; T618-L622 HydrophobicContact CG2-CG 4.41Å; T618-L622 WeakPolarHBondContact O-CB 3.15Å; T618-L622 VanDerWaalsContact O-CG 3.24Å; T618-L622 WeakPolarHBondContact O-CG 3.17Å; T618-L622 PolarHBondContact O-N 3.42Å; E619-L622 PolarHBondContact O-N 3.29Å; L622-L624 VanDerWaalsContact C-N 3.33Å; L622-L624 PolarHBondContact O-N 3.25Å; L622-L625 PolarHBondContact O-N 3.09Å; L622-E626 WeakPolarHBondContact O-CB 3.33Å; L622-E626 PolarHBondContact O-N 3.03Å; L622-Y652 HydrophobicContact CD2-CE2 4.29Å; L622-Y652 VanDerWaalsContact CD2-OH 3.23Å; L622-Y652 WeakPolarHBondContact CD2-OH 3.08Å
623	K	93.5	Very high	92.7	Very high	93 Å²	93	61 Å²	61	40%	0.404	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-42.5	173.4	-72.8	171.3	-174.7	163.8	0	111.7	E619 N620 W621 E626 Q627	E619-K623 WeakPolarHBondContact O-CG 3.41Å; E619-K623 PolarHBondContact O-N 3.44Å; E619-K623 VanDerWaalsContact OE1-CE 3.26Å; E619-K623 WeakPolarHBondContact OE1-CE 3.38Å; E619-K623 IonicContact OE1-NZ 3.48Å; E619-K623 PolarHBondContact OE1-NZ 3.44Å; N620-K623 PolarHBondContact O-N 3.1Å; W621-K623 PolarHBondContact O-N 2.85Å; K623-E626 PolarHBondContact O-N 3.33Å; K623-Q627 VanDerWaalsContact O-CG 3.25Å; K623-Q627 WeakPolarHBondContact O-CG 3.48Å; K623-Q627 PolarHBondContact O-N 3.1Å
624	L	95.9	Very high	93.2	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-46.9	175.9	177.9	63	0	0	0	111.2	L527 P565 F592 N620 W621 L622 E626 Q627 L628	L527-L624 HydrophobicContact CD1-CD2 4.32Å; P565-L624 HydrophobicContact CB-CD2 3.6Å; P565-L624 HydrophobicContact CG-CD2 3.83Å; F592-L624 HydrophobicContact CE2-CD2 4.37Å; N620-L624 PolarHBondContact O-N 3.07Å; W621-L624 HydrophobicContact CE3-CD2 4.22Å; W621-L624 HydrophobicContact CZ3-CD2 4.1Å; W621-L624 WeakPolarHBondContact O-CB 3.34Å; W621-L624 PolarHBondContact O-N 3.27Å; L622-L624 VanDerWaalsContact C-N 3.33Å; L622-L624 PolarHBondContact O-N 3.25Å; L624-E626 VanDerWaalsContact C-N 3.33Å; L624-E626 PolarHBondContact O-N 3.24Å; L624-Q627 PolarHBondContact O-N 2.95Å; L624-L628 HydrophobicContact CD1-CD1 3.97Å; L624-L628 HydrophobicContact CD1-CG 4.22Å; L624-L628 HydrophobicContact CG-CD1 4.05Å; L624-L628 VanDerWaalsContact O-CG 3.3Å; L624-L628 WeakPolarHBondContact O-CG 3.47Å; L624-L628 PolarHBondContact O-N 3.22Å
625	L	96	Very high	93.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-39.7	177.6	-72.7	-171.8	0	0	0	112.8	W621 L622 L628 D629 I630 I632 Y652	W621-L625 HydrophobicContact CD2-CD1 4.42Å; W621-L625 HydrophobicContact CD2-CG 4.28Å; W621-L625 HydrophobicContact CH2-CD2 4.1Å; W621-L625 HydrophobicContact CZ2-CD1 4.05Å; W621-L625 HydrophobicContact CZ2-CD2 3.83Å; W621-L625 HydrophobicContact CZ2-CG 4.11Å; W621-L625 WeakPolarHBondContact O-CG 3.47Å; W621-L625 PolarHBondContact O-N 2.87Å; L622-L625 PolarHBondContact O-N 3.09Å; L625-L628 PolarHBondContact O-N 2.89Å; L625-D629 PolarHBondContact O-N 3.36Å; L625-I630 WeakPolarHBondContact CB-O 3.5Å; L625-I630 HydrophobicContact CD2-CG1 4.31Å; L625-I630 PolarHBondContact O-N 2.86Å; L625-I630 VanDerWaalsContact O-N 3.13Å; L625-I632 HydrophobicContact CD2-CB 4.25Å; L625-I632 HydrophobicContact CD2-CD1 3.79Å; L625-I632 HydrophobicContact CD2-CG1 3.81Å; L625-Y652 HydrophobicContact CB-CD2 3.9Å; L625-Y652 HydrophobicContact CB-CE2 3.71Å; L625-Y652 HydrophobicContact CD1-CE2 4.48Å
626	E	94.5	Very high	94	Very high	73 Å²	73	45.5 Å²	45.5	34%	0.341	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-43.4	174.8	-175.8	173.6	-158.6	0	0	112	L622 K623 L624 L628 D629 Y652	L622-E626 WeakPolarHBondContact O-CB 3.33Å; L622-E626 PolarHBondContact O-N 3.03Å; K623-E626 PolarHBondContact O-N 3.33Å; L624-E626 VanDerWaalsContact C-N 3.33Å; L624-E626 PolarHBondContact O-N 3.24Å; E626-L628 VanDerWaalsContact C-N 3.32Å; E626-L628 PolarHBondContact O-N 3.03Å; E626-D629 PolarHBondContact O-N 2.89Å; E626-D629 VanDerWaalsContact O-N 3.17Å; E626-Y652 HydrophobicContact CB-CD1 3.84Å; E626-Y652 HydrophobicContact CB-CE1 3.67Å; E626-Y652 HydrophobicContact CB-CG 4.45Å; E626-Y652 HydrophobicContact CG-CD1 3.97Å; E626-Y652 HydrophobicContact CG-CE1 3.99Å
627	Q	94.9	Very high	94.4	Very high	146 Å²	146	39.7 Å²	39.7	68%	0.682	19%	0.188	S	C	*	.	H	α-helix	trans	-63.2	-36.7	176.7	-74.4	171.7	5.5	0	0	112.9	K623 L624 D629	K623-Q627 VanDerWaalsContact O-CG 3.25Å; K623-Q627 WeakPolarHBondContact O-CG 3.48Å; K623-Q627 PolarHBondContact O-N 3.1Å; L624-Q627 PolarHBondContact O-N 2.95Å; Q627-D629 VanDerWaalsContact C-N 3.28Å
628	L	96.9	Very high	94.6	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.7	177.9	-61.4	177.2	0	0	0	113.2	L491 N495 I497 R526 L527 L624 L625 E626 I630	L491-L628 HydrophobicContact CD1-CB 4.13Å; L491-L628 HydrophobicContact CD1-CD2 4.44Å; N495-L628 HydrophobicContact CB-CD2 3.92Å; I497-L628 HydrophobicContact CG2-CD1 4.29Å; R526-L628 HydrophobicContact CB-CD1 4.27Å; R526-L628 HydrophobicContact CB-CD2 3.61Å; R526-L628 HydrophobicContact CG-CD2 3.66Å; L527-L628 HydrophobicContact CB-CD1 4.4Å; L527-L628 HydrophobicContact CD2-CD1 4.27Å; L624-L628 HydrophobicContact CD1-CD1 3.97Å; L624-L628 HydrophobicContact CD1-CG 4.22Å; L624-L628 HydrophobicContact CG-CD1 4.05Å; L624-L628 VanDerWaalsContact O-CG 3.3Å; L624-L628 WeakPolarHBondContact O-CG 3.47Å; L624-L628 PolarHBondContact O-N 3.22Å; L625-L628 PolarHBondContact O-N 2.89Å; E626-L628 VanDerWaalsContact C-N 3.32Å; E626-L628 PolarHBondContact O-N 3.03Å; L628-I630 HydrophobicContact CB-CD1 4.22Å; L628-I630 HydrophobicContact CB-CG1 3.7Å; L628-I630 HydrophobicContact CD1-CD1 4.35Å; L628-I630 PolarHBondContact O-N 3.5Å
629	D	95.4	Very high	94.7	Very high	46 Å²	46	39.3 Å²	39.3	25%	0.246	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	39	-173.7	-160.9	16.3	0	0	0	114	L625 E626 Q627 N650 P651 Y652 K655	L625-D629 PolarHBondContact O-N 3.36Å; E626-D629 PolarHBondContact O-N 2.89Å; E626-D629 VanDerWaalsContact O-N 3.17Å; Q627-D629 VanDerWaalsContact C-N 3.28Å; D629-N650 PolarHBondContact O-ND2 2.9Å; D629-P651 CarbonylContact O-C 3.55Å; D629-P651 WeakPolarHBondContact O-CA 3.43Å; D629-P651 WeakPolarHBondContact OD1-CA 3.33Å; D629-P651 WeakPolarHBondContact OD1-CB 3.43Å; D629-Y652 PolarHBondContact O-N 2.92Å; D629-Y652 PolarHBondContact OD1-N 2.72Å; D629-K655 WeakPolarHBondContact OD1-CE 3.48Å; D629-K655 IonicContact OD1-NZ 2.63Å; D629-K655 PolarHBondContact OD1-NZ 3.37Å; D629-K655 IonicContact OD2-NZ 3.78Å; D629-K655 PolarHBondContact OD2-NZ 2.9Å
630	I	95.7	Very high	94.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.			trans	-133.5	156	178.1	56.9	166.1	0	0	0	111.2	L491 I497 L625 L628 I632 I648 D649 N650 Y652 W674	L491-I630 HydrophobicContact CD1-CD1 3.81Å; L491-I630 HydrophobicContact CD1-CG1 4.33Å; L491-I630 HydrophobicContact CD1-CG2 4.18Å; L491-I630 HydrophobicContact CD2-CG2 4.21Å; I497-I630 HydrophobicContact CD1-CD1 4.21Å; L625-I630 WeakPolarHBondContact CB-O 3.5Å; L625-I630 HydrophobicContact CD2-CG1 4.31Å; L625-I630 PolarHBondContact O-N 2.86Å; L625-I630 VanDerWaalsContact O-N 3.13Å; L628-I630 HydrophobicContact CB-CD1 4.22Å; L628-I630 HydrophobicContact CB-CG1 3.7Å; L628-I630 HydrophobicContact CD1-CD1 4.35Å; L628-I630 PolarHBondContact O-N 3.5Å; I630-I632 HydrophobicContact CD1-CD1 3.97Å; I630-I632 HydrophobicContact CD1-CG1 4.15Å; I630-I648 HydrophobicContact CB-CG2 4.28Å; I630-I648 HydrophobicContact CD1-CG2 4.1Å; I630-I648 HydrophobicContact CG2-CG2 4.43Å; I630-D649 CarbonylContact C-O 3.51Å; I630-D649 VanDerWaalsContact CA-O 3.25Å; I630-D649 WeakPolarHBondContact CA-O 3.46Å; I630-N650 HydrophobicContact CG2-CB 4.31Å; I630-Y652 WeakPolarHBondContact O-CD2 3.43Å; I630-W674 HydrophobicContact CG2-CH2 3.82Å; I630-W674 HydrophobicContact CG2-CZ2 4.24Å
631	N	94	Very high	94.6	Very high	16 Å²	16	43.1 Å²	43.1	9%	0.086	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.9	170.4	178.9	47.4	0	0	0	110.1	I648 D649 P653	N631-I648 CarbonylContact O-C 3.47Å; N631-I648 WeakPolarHBondContact O-CA 3.34Å; N631-D649 HydrophobicContact CB-CB 4.37Å; N631-D649 PolarHBondContact N-O 3.3Å; N631-D649 PolarHBondContact O-N 3.38Å; N631-P653 HydrophobicContact CB-CG 4.17Å
632	I	95.6	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.4	-179.2	-60.3	178.3	0	0	0	108.8	L527 L529 L567 Y598 W621 L625 I630 F646 I647 I648	L527-I632 HydrophobicContact CD2-CD1 3.61Å; L529-I632 HydrophobicContact CD1-CD1 3.9Å; L529-I632 HydrophobicContact CD1-CG2 4.33Å; L529-I632 HydrophobicContact CD2-CD1 3.78Å; L529-I632 HydrophobicContact CG-CD1 4.44Å; L567-I632 HydrophobicContact CD2-CG2 3.86Å; Y598-I632 PolarHBondContact OH-O 3Å; W621-I632 HydrophobicContact CH2-CD1 3.97Å; W621-I632 HydrophobicContact CZ2-CB 4.03Å; W621-I632 HydrophobicContact CZ2-CD1 4.18Å; W621-I632 HydrophobicContact CZ2-CG2 4.37Å; L625-I632 HydrophobicContact CD2-CB 4.25Å; L625-I632 HydrophobicContact CD2-CD1 3.79Å; L625-I632 HydrophobicContact CD2-CG1 3.81Å; I630-I632 HydrophobicContact CD1-CD1 3.97Å; I630-I632 HydrophobicContact CD1-CG1 4.15Å; I632-F646 HydrophobicContact CG2-CD1 4.09Å; I632-I647 CarbonylContact C-O 3.6Å; I632-I647 WeakPolarHBondContact CA-O 3.49Å; I632-I648 HydrophobicContact CG1-CG1 4.44Å; I632-I648 HydrophobicContact CG1-CG2 4.42Å
633	R	93.4	Very high	94.5	Very high	42 Å²	42	42.6 Å²	42.6	16%	0.158	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	109.6	177.4	-63.7	-179.2	-71.2	122.7	-4.3	109.5	I647 D649 A691	R633-I647 HydrophobicContact CB-CB 4.3Å; R633-I647 PolarHBondContact N-O 2.92Å; R633-I647 PolarHBondContact O-N 2.95Å; R633-D649 IonicContact CZ-OD2 3.42Å; R633-D649 IonicContact NE-OD2 3.98Å; R633-D649 PolarHBondContact NE-OD2 3.11Å; R633-D649 IonicContact NH2-OD1 2.87Å; R633-D649 IonicContact NH2-OD2 3.06Å; R633-D649 PolarHBondContact NH2-OD2 3.38Å; R633-A691 PolarHBondContact NH1-O 2.91Å
634	P	95.8	Very high	94.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.8	174.8	30.1	-32.1	0	0	0	110.5	I594 Y598 W644 A645 F646	I594-P634 HydrophobicContact CG2-CB 3.82Å; I594-P634 HydrophobicContact CG2-CG 3.75Å; Y598-P634 HydrophobicContact CD1-CG 3.89Å; Y598-P634 HydrophobicContact CD2-CG 3.59Å; Y598-P634 VanDerWaalsContact CE1-CD 3.44Å; Y598-P634 HydrophobicContact CE1-CG 4.06Å; Y598-P634 HydrophobicContact CE2-CG 3.8Å; Y598-P634 HydrophobicContact CG-CG 3.64Å; Y598-P634 VanDerWaalsContact CZ-CD 3.49Å; P634-W644 HydrophobicContact CB-CE3 3.94Å; P634-W644 HydrophobicContact CB-CZ3 4.47Å; P634-A645 CarbonylContact C-O 3.45Å; P634-A645 WeakPolarHBondContact CA-O 3.23Å; P634-F646 HydrophobicContact CB-CD1 4.13Å; P634-F646 HydrophobicContact CB-CE1 4.06Å
635	V	94.7	Very high	94.8	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.5	173.4	-176.4	0	0	0	0	108.1	V637 W644 A645 I647 E687 L688 A691	V635-V637 PolarHBondContact O-N 2.89Å; V635-W644 CarbonylContact O-C 3.53Å; V635-W644 WeakPolarHBondContact O-CA 3.29Å; V635-A645 HydrophobicContact CB-CB 4.36Å; V635-A645 PolarHBondContact N-O 2.71Å; V635-A645 PolarHBondContact O-N 3.08Å; V635-I647 HydrophobicContact CG2-CD1 3.7Å; V635-I647 HydrophobicContact CG2-CG1 4.27Å; V635-E687 HydrophobicContact CG1-CB 4.41Å; V635-L688 HydrophobicContact CB-CD1 4.42Å; V635-L688 HydrophobicContact CG1-CB 4.43Å; V635-A691 HydrophobicContact CG2-CB 3.65Å
636	K	94.8	Very high	94.9	Very high	78 Å²	78	37.5 Å²	37.5	34%	0.339	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.3	178.9	-171.4	165.3	-174.7	162.2	0	110.1	W609 R641 W644	W609-K636 HydrophobicContact CZ2-CB 4.46Å; W609-K636 HydrophobicContact CZ2-CD 4.14Å; K636-R641 WeakPolarHBondContact CE-O 3.18Å; K636-R641 PolarHBondContact NZ-O 3.01Å; K636-W644 HydrophobicContact CB-CE3 4.07Å; K636-W644 HydrophobicContact CB-CH2 4.5Å; K636-W644 HydrophobicContact CB-CZ3 3.91Å
637	V	95.6	Very high	95	Very high	3 Å²	3	34 Å²	34	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.3	-179.7	-64.1	0	0	0	0	112.4	V635 H639 S643 A645 T682 L688	V635-V637 PolarHBondContact O-N 2.89Å; V637-H639 PolarHBondContact O-N 2.55Å; V637-S643 PolarHBondContact N-O 3.08Å; V637-A645 HydrophobicContact CG1-CB 3.8Å; V637-T682 WeakPolarHBondContact CB-OG1 3.42Å; V637-L688 HydrophobicContact CG1-CD2 4.29Å
638	P	95.2	Very high	95.1	Very high	69 Å²	69	27 Å²	27	45%	0.448	13%	0.127	S	C	.	.	S	Bend	trans	-83.8	47.2	-170.1	34.3	-37.1	0	0	0	114.3	P683	P638-P683 HydrophobicContact CG-CG 3.81Å
639	H	94	Very high	95	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.046	13%	0.13	C	C	.	.	S	Bend	trans	-94.2	-67.5	176.4	176.2	61.3	0	0	0	111.7	H532 H534 V637 S643 D681 K716 H717	H532-H639 AromaticContact CD2-CD2 3.67Å; H532-H639 AromaticContact CD2-NE2 3.8Å; H532-H639 AromaticContact NE2-CD2 3.68Å; H532-H639 AromaticContact NE2-NE2 3.52Å; H534-H639 AromaticContact CE1-CE1 3.72Å; H534-H639 AromaticContact CE1-NE2 3.01Å; H534-H639 PolarHBondContact CE1-NE2 3.42Å; H534-H639 AromaticContact ND1-NE2 3.18Å; H534-H639 PolarHBondContact ND1-NE2 3.4Å; H534-H639 VanDerWaalsContact ND1-NE2 3.18Å; V637-H639 PolarHBondContact O-N 2.55Å; H639-S643 PolarHBondContact CD2-OG 2.85Å; H639-D681 WeakPolarHBondContact CB-O 3.36Å; H639-D681 VanDerWaalsContact CD2-CB 3.49Å; H639-D681 WeakPolarHBondContact CD2-CB 3.48Å; H639-D681 IonicContact CE1-OD2 3.47Å; H639-D681 IonicContact NE2-OD2 3.35Å; H639-K716 PolarHBondContact ND1-O 2.78Å; H639-K716 VanDerWaalsContact ND1-O 3.07Å; H639-K716 VanDerWaalsContact O-CD 3.24Å; H639-K716 WeakPolarHBondContact O-CD 3.35Å; H639-H717 AromaticContact CE1-CD2 3.53Å; H639-H717 AromaticContact CE1-NE2 3.24Å; H639-H717 PolarHBondContact CE1-NE2 2.88Å; H639-H717 AromaticContact ND1-CD2 3.72Å; H639-H717 AromaticContact ND1-NE2 3.91Å
640	T	92.6	Very high	94.9	Very high	48 Å²	48	26.3 Å²	26.3	29%	0.294	12%	0.123	S	C	.	.	S	Bend	trans	-110.1	-173.7	169	78.7	0	0	0	0	111.7	S642 S643	T640-S642 PolarHBondContact O-N 3.34Å; T640-S642 PolarHBondContact OG1-N 3.49Å; T640-S643 WeakPolarHBondContact CB-OG 3.43Å; T640-S643 PolarHBondContact N-OG 3.07Å; T640-S643 PolarHBondContact OG1-N 3.11Å; T640-S643 PolarHBondContact OG1-OG 2.9Å
641	R	88.6	Confident	94.7	Very high	225 Å²	225	27.9 Å²	27.9	85%	0.849	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.7	174	-70.7	-177.2	177.9	176.2	-1.1	112.7	K636	K636-R641 WeakPolarHBondContact CE-O 3.18Å; K636-R641 PolarHBondContact NZ-O 3.01Å
642	S	91.8	Very high	94.3	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.07	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.1	58.1	-171.5	-159.5	0	0	0	0	109.9	E571 T640 W644	E571-S642 VanDerWaalsContact OE1-CB 3.29Å; E571-S642 WeakPolarHBondContact OE1-CB 3.26Å; E571-S642 VanDerWaalsContact OE2-CB 3.26Å; E571-S642 WeakPolarHBondContact OE2-CB 3.38Å; E571-S642 PolarHBondContact OE2-OG 2.79Å; E571-S642 VanDerWaalsContact OE2-OG 3.06Å; T640-S642 PolarHBondContact O-N 3.34Å; T640-S642 PolarHBondContact OG1-N 3.49Å; S642-W644 PolarHBondContact OG-NE1 3.35Å
643	S	95.7	Very high	93.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.7	173.9	-67.1	0	0	0	0	111.2	H532 V637 H639 T640	H532-S643 WeakPolarHBondContact CB-OG 3.48Å; V637-S643 PolarHBondContact N-O 3.08Å; H639-S643 PolarHBondContact CD2-OG 2.85Å; T640-S643 WeakPolarHBondContact CB-OG 3.43Å; T640-S643 PolarHBondContact N-OG 3.07Å; T640-S643 PolarHBondContact OG1-N 3.11Å; T640-S643 PolarHBondContact OG1-OG 2.9Å
644	W	97.7	Very high	92.2	Very high	2 Å²	2	28 Å²	28	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.6	-171.8	-52.1	89.1	0	0	0	111.2	T531 I594 P595 W609 P634 V635 K636 S642 F646	T531-W644 WeakPolarHBondContact CB-O 3.48Å; T531-W644 WeakPolarHBondContact CG2-O 3.28Å; T531-W644 PolarHBondContact O-N 3.39Å; I594-W644 HydrophobicContact CB-CD2 4.44Å; I594-W644 HydrophobicContact CB-CZ2 4.23Å; I594-W644 HydrophobicContact CD1-CB 4.13Å; I594-W644 HydrophobicContact CD1-CD2 3.95Å; I594-W644 HydrophobicContact CD1-CG 3.63Å; I594-W644 HydrophobicContact CG2-CD2 3.81Å; I594-W644 HydrophobicContact CG2-CE3 3.7Å; I594-W644 HydrophobicContact CG2-CH2 3.57Å; I594-W644 HydrophobicContact CG2-CZ2 3.74Å; I594-W644 HydrophobicContact CG2-CZ3 3.56Å; P595-W644 HydrophobicContact CG-CH2 4.22Å; P595-W644 HydrophobicContact CG-CZ2 3.77Å; W609-W644 HydrophobicContact CD2-CH2 4.15Å; W609-W644 AromaticContact CD2-CZ3 3.83Å; W609-W644 HydrophobicContact CD2-CZ3 3.83Å; W609-W644 AromaticContact CE2-CH2 3.86Å; W609-W644 AromaticContact CE2-CZ3 3.64Å; W609-W644 HydrophobicContact CE3-CH2 4.06Å; W609-W644 HydrophobicContact CE3-CZ3 4.11Å; W609-W644 HydrophobicContact CG-CZ3 4.4Å; W609-W644 AromaticContact CH2-CH2 3.48Å; W609-W644 HydrophobicContact CH2-CH2 3.48Å; W609-W644 VanDerWaalsContact CH2-CH2 3.48Å; W609-W644 HydrophobicContact CH2-CZ3 4.14Å; W609-W644 AromaticContact CZ2-CH2 3.53Å; W609-W644 HydrophobicContact CZ2-CH2 3.53Å; W609-W644 AromaticContact CZ2-CZ3 3.81Å; W609-W644 HydrophobicContact CZ2-CZ3 3.81Å; W609-W644 AromaticContact CZ3-CH2 3.74Å; W609-W644 HydrophobicContact CZ3-CH2 3.74Å; W609-W644 HydrophobicContact CZ3-CZ3 4.26Å; P634-W644 HydrophobicContact CB-CE3 3.94Å; P634-W644 HydrophobicContact CB-CZ3 4.47Å; V635-W644 CarbonylContact O-C 3.53Å; V635-W644 WeakPolarHBondContact O-CA 3.29Å; K636-W644 HydrophobicContact CB-CE3 4.07Å; K636-W644 HydrophobicContact CB-CH2 4.5Å; K636-W644 HydrophobicContact CB-CZ3 3.91Å; S642-W644 PolarHBondContact OG-NE1 3.35Å; W644-F646 HydrophobicContact CB-CE1 4.37Å; W644-F646 HydrophobicContact CB-CZ 4.26Å
645	A	98.1	Very high	90.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	160.6	159	0	0	0	0	0	109.1	P634 V635 V637 Y678 S679 L688	P634-A645 CarbonylContact C-O 3.45Å; P634-A645 WeakPolarHBondContact CA-O 3.23Å; V635-A645 HydrophobicContact CB-CB 4.36Å; V635-A645 PolarHBondContact N-O 2.71Å; V635-A645 PolarHBondContact O-N 3.08Å; V637-A645 HydrophobicContact CG1-CB 3.8Å; A645-Y678 CarbonylContact C-O 3.56Å; A645-Y678 VanDerWaalsContact CA-O 3.28Å; A645-Y678 WeakPolarHBondContact CA-O 3.31Å; A645-Y678 WeakPolarHBondContact CB-O 3.48Å; A645-S679 WeakPolarHBondContact CA-O 3.41Å; A645-S679 VanDerWaalsContact CB-O 3.23Å; A645-S679 WeakPolarHBondContact CB-O 3.32Å; A645-L688 HydrophobicContact CB-CD1 3.47Å; A645-L688 VanDerWaalsContact CB-CD1 3.47Å; A645-L688 HydrophobicContact CB-CD2 4.06Å; A645-L688 HydrophobicContact CB-CG 4.34Å
646	F	98.1	Very high	88.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135	177	-60.4	-65.7	0	0	0	111.4	L529 V530 T531 L567 I594 I632 P634 W644 V677 Y678	L529-F646 HydrophobicContact CB-CD2 3.8Å; L529-F646 HydrophobicContact CB-CE2 3.64Å; L529-F646 HydrophobicContact CB-CG 4.42Å; L529-F646 HydrophobicContact CB-CZ 4.13Å; L529-F646 HydrophobicContact CD1-CB 4.23Å; L529-F646 HydrophobicContact CD1-CD2 4.16Å; L529-F646 HydrophobicContact CD1-CG 4.06Å; V530-F646 WeakPolarHBondContact O-CZ 3.4Å; T531-F646 HydrophobicContact CG2-CD2 4.01Å; T531-F646 HydrophobicContact CG2-CE2 3.75Å; L567-F646 HydrophobicContact CD2-CD1 4.1Å; L567-F646 HydrophobicContact CD2-CE1 3.57Å; L567-F646 HydrophobicContact CD2-CZ 4.32Å; L567-F646 HydrophobicContact CG-CE1 4.32Å; I594-F646 HydrophobicContact CD1-CE1 3.85Å; I594-F646 HydrophobicContact CD1-CZ 3.91Å; I632-F646 HydrophobicContact CG2-CD1 4.09Å; P634-F646 HydrophobicContact CB-CD1 4.13Å; P634-F646 HydrophobicContact CB-CE1 4.06Å; W644-F646 HydrophobicContact CB-CE1 4.37Å; W644-F646 HydrophobicContact CB-CZ 4.26Å; F646-V677 CarbonylContact O-C 3.59Å; F646-V677 WeakPolarHBondContact O-CA 3.33Å; F646-Y678 HydrophobicContact CD2-CD1 4.32Å; F646-Y678 PolarHBondContact N-O 2.85Å; F646-Y678 PolarHBondContact O-N 2.97Å
647	I	97.1	Very high	86.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.3	167.7	-49.4	160.8	0	0	0	107.3	I632 R633 V635 I676 V677 A691	I632-I647 CarbonylContact C-O 3.6Å; I632-I647 WeakPolarHBondContact CA-O 3.49Å; R633-I647 HydrophobicContact CB-CB 4.3Å; R633-I647 PolarHBondContact N-O 2.92Å; R633-I647 PolarHBondContact O-N 2.95Å; V635-I647 HydrophobicContact CG2-CD1 3.7Å; V635-I647 HydrophobicContact CG2-CG1 4.27Å; I647-I676 WeakPolarHBondContact CA-O 3.48Å; I647-V677 HydrophobicContact CG1-CG2 4.23Å; I647-V677 HydrophobicContact CG2-CG2 4.15Å; I647-A691 VanDerWaalsContact CD1-C 3.42Å; I647-A691 HydrophobicContact CD1-CB 3.51Å; I647-A691 VanDerWaalsContact CD1-O 3.29Å; I647-A691 WeakPolarHBondContact CD1-O 3.43Å
648	I	97	Very high	84.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.4	-175.1	-50.1	175	0	0	0	107.5	M489 I497 L499 L529 I630 N631 I632 W674 S675 I676	M489-I648 HydrophobicContact CE-CD1 4.41Å; I497-I648 HydrophobicContact CD1-CD1 4.13Å; L499-I648 HydrophobicContact CD2-CD1 3.63Å; L529-I648 HydrophobicContact CD1-CD1 3.82Å; L529-I648 HydrophobicContact CD1-CG1 4.36Å; I630-I648 HydrophobicContact CB-CG2 4.28Å; I630-I648 HydrophobicContact CD1-CG2 4.1Å; I630-I648 HydrophobicContact CG2-CG2 4.43Å; N631-I648 CarbonylContact O-C 3.47Å; N631-I648 WeakPolarHBondContact O-CA 3.34Å; I632-I648 HydrophobicContact CG1-CG1 4.44Å; I632-I648 HydrophobicContact CG1-CG2 4.42Å; I648-W674 HydrophobicContact CG2-CH2 4.23Å; I648-W674 HydrophobicContact CG2-CZ3 4.02Å; I648-S675 CarbonylContact O-C 3.24Å; I648-S675 WeakPolarHBondContact O-CA 3.28Å; I648-I676 PolarHBondContact N-O 3.31Å; I648-I676 PolarHBondContact O-N 3.41Å
649	D	94.3	Very high	81.8	Confident	15 Å²	15	46.5 Å²	46.5	8%	0.08	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.2	-177.6	-57	-54.6	0	0	0	110	I630 N631 R633 S675	I630-D649 CarbonylContact C-O 3.51Å; I630-D649 VanDerWaalsContact CA-O 3.25Å; I630-D649 WeakPolarHBondContact CA-O 3.46Å; N631-D649 HydrophobicContact CB-CB 4.37Å; N631-D649 PolarHBondContact N-O 3.3Å; N631-D649 PolarHBondContact O-N 3.38Å; R633-D649 IonicContact CZ-OD2 3.42Å; R633-D649 IonicContact NE-OD2 3.98Å; R633-D649 PolarHBondContact NE-OD2 3.11Å; R633-D649 IonicContact NH2-OD1 2.87Å; R633-D649 IonicContact NH2-OD2 3.06Å; R633-D649 PolarHBondContact NH2-OD2 3.38Å; D649-S675 VanDerWaalsContact OD1-CB 3.23Å; D649-S675 WeakPolarHBondContact OD1-CB 3.4Å; D649-S675 PolarHBondContact OD1-OG 2.9Å
650	N	93.8	Very high	79.5	Confident	21 Å²	21	48.6 Å²	48.6	11%	0.112	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.4	169.7	172.8	-85.9	0	0	0	109.6	D629 I630 R672 K673 W674	D629-N650 PolarHBondContact O-ND2 2.9Å; I630-N650 HydrophobicContact CG2-CB 4.31Å; N650-R672 CarbonylContact O-C 3.59Å; N650-K673 WeakPolarHBondContact O-CA 3.42Å; N650-K673 WeakPolarHBondContact O-CB 3.39Å; N650-K673 PolarHBondContact O-N 3.24Å; N650-K673 WeakPolarHBondContact OD1-CD 3.48Å; N650-W674 HydrophobicContact CB-CD2 3.56Å; N650-W674 HydrophobicContact CB-CE3 3.99Å; N650-W674 HydrophobicContact CB-CG 4.16Å; N650-W674 HydrophobicContact CB-CH2 3.72Å; N650-W674 HydrophobicContact CB-CZ2 3.26Å; N650-W674 HydrophobicContact CB-CZ3 4.05Å; N650-W674 PolarHBondContact N-O 2.86Å; N650-W674 PolarHBondContact O-N 3.03Å; N650-W674 PolarHBondContact OD1-NE1 2.78Å
651	P	90.2	Very high	77.3	Confident	33 Å²	33	56.4 Å²	56.4	21%	0.214	28%	0.28	C	S	.	.	S	Bend	cis	-78.3	177.3	-1.8	33.6	-36.3	0	0	0	113.1	D629 I670	D629-P651 CarbonylContact O-C 3.55Å; D629-P651 WeakPolarHBondContact O-CA 3.43Å; D629-P651 WeakPolarHBondContact OD1-CA 3.33Å; D629-P651 WeakPolarHBondContact OD1-CB 3.43Å; P651-I670 HydrophobicContact CG-CG2 4.01Å
652	Y	86	Confident	75.1	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.02	27%	0.266	C	S	.	.			trans	-61.9	124.5	169.1	-179.9	-112.8	0	0	0	110.5	L622 L625 E626 D629 I630 F654 K655	L622-Y652 HydrophobicContact CD2-CE2 4.29Å; L622-Y652 VanDerWaalsContact CD2-OH 3.23Å; L622-Y652 WeakPolarHBondContact CD2-OH 3.08Å; L625-Y652 HydrophobicContact CB-CD2 3.9Å; L625-Y652 HydrophobicContact CB-CE2 3.71Å; L625-Y652 HydrophobicContact CD1-CE2 4.48Å; E626-Y652 HydrophobicContact CB-CD1 3.84Å; E626-Y652 HydrophobicContact CB-CE1 3.67Å; E626-Y652 HydrophobicContact CB-CG 4.45Å; E626-Y652 HydrophobicContact CG-CD1 3.97Å; E626-Y652 HydrophobicContact CG-CE1 3.99Å; D629-Y652 PolarHBondContact O-N 2.92Å; D629-Y652 PolarHBondContact OD1-N 2.72Å; I630-Y652 WeakPolarHBondContact O-CD2 3.43Å; Y652-F654 VanDerWaalsContact C-N 3.34Å; Y652-F654 HydrophobicContact CD1-CB 4.29Å; Y652-F654 HydrophobicContact CE1-CB 3.55Å; Y652-F654 HydrophobicContact CE1-CD2 4.45Å; Y652-F654 HydrophobicContact CE2-CB 4.43Å; Y652-F654 AromaticContact CE2-CD2 3.81Å; Y652-F654 HydrophobicContact CE2-CD2 3.81Å; Y652-F654 AromaticContact CZ-CD2 3.79Å; Y652-F654 PolarHBondContact O-N 2.86Å; Y652-K655 HydrophobicContact CD1-CG 4.06Å
653	P	75.9	Confident	73.1	Confident	27 Å²	27	52.6 Å²	52.6	18%	0.175	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9	-170.4	31.7	-35.2	0	0	0	113.8	N631 I670	N631-P653 HydrophobicContact CB-CG 4.17Å; P653-I670 HydrophobicContact CB-CD1 4.23Å; P653-I670 WeakPolarHBondContact O-CD1 3.28Å
654	F	69.1	Low	70.7	Confident	28 Å²	28	57.1 Å²	57.1	12%	0.123	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	17.4	-172.7	-52	-75.7	0	0	0	114.4	L611 Y652 N656 L657 I663 C667	L611-F654 HydrophobicContact CD1-CE2 4.41Å; Y652-F654 VanDerWaalsContact C-N 3.34Å; Y652-F654 HydrophobicContact CD1-CB 4.29Å; Y652-F654 HydrophobicContact CE1-CB 3.55Å; Y652-F654 HydrophobicContact CE1-CD2 4.45Å; Y652-F654 HydrophobicContact CE2-CB 4.43Å; Y652-F654 AromaticContact CE2-CD2 3.81Å; Y652-F654 HydrophobicContact CE2-CD2 3.81Å; Y652-F654 AromaticContact CZ-CD2 3.79Å; Y652-F654 PolarHBondContact O-N 2.86Å; F654-N656 PolarHBondContact O-N 3.41Å; F654-L657 HydrophobicContact CB-CB 4.15Å; F654-L657 HydrophobicContact CD1-CB 4.27Å; F654-L657 HydrophobicContact CD1-CD1 3.71Å; F654-L657 HydrophobicContact CE1-CD1 4.45Å; F654-L657 PolarHBondContact O-N 2.82Å; F654-I663 HydrophobicContact CD1-CG2 4.08Å; F654-I663 HydrophobicContact CE1-CG2 3.59Å; F654-I663 HydrophobicContact CZ-CG2 4.24Å; F654-C667 WeakPolarHBondContact CE1-SG 3.33Å
655	K	59.6	Low	68.2	Low	99 Å²	99	64.6 Å²	64.6	43%	0.43	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-27.1	-178.1	-72.7	-173.9	-178.8	176.3	0	114.4	D629 Y652	D629-K655 WeakPolarHBondContact OD1-CE 3.48Å; D629-K655 IonicContact OD1-NZ 2.63Å; D629-K655 PolarHBondContact OD1-NZ 3.37Å; D629-K655 IonicContact OD2-NZ 3.78Å; D629-K655 PolarHBondContact OD2-NZ 2.9Å; Y652-K655 HydrophobicContact CD1-CG 4.06Å
656	N	50.9	Low	65.4	Low	157 Å²	157	69.3 Å²	69.3	84%	0.84	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	3.4	-178.7	-65.9	-25.7	0	0	0	114.8	F654	F654-N656 PolarHBondContact O-N 3.41Å
657	L	51.9	Low	62.9	Low	21 Å²	21	72.5 Å²	72.5	11%	0.11	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-8.2	-167.9	-89.7	151.5	0	0	0	115	F654 N659 S660 N666	F654-L657 HydrophobicContact CB-CB 4.15Å; F654-L657 HydrophobicContact CD1-CB 4.27Å; F654-L657 HydrophobicContact CD1-CD1 3.71Å; F654-L657 HydrophobicContact CE1-CD1 4.45Å; F654-L657 PolarHBondContact O-N 2.82Å; L657-N659 PolarHBondContact O-N 3.22Å; L657-S660 PolarHBondContact O-N 3Å; L657-N666 HydrophobicContact CD2-CB 4.14Å
658	V	48.7	Very low	60.5	Low	110 Å²	110	77 Å²	77	67%	0.667	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22	178.7	-175	0	0	0	0	112.3
659	N	47	Very low	58.4	Low	165 Å²	165	85.8 Å²	85.8	88%	0.882	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	1.1	174.5	-75.6	-13.3	0	0	0	115.4	L657	L657-N659 PolarHBondContact O-N 3.22Å
660	S	44.9	Very low	56.5	Low	53 Å²	53	89.5 Å²	89.5	37%	0.371	49%	0.486	S	S	.	.			trans	-118.1	120.1	-178.4	-132.1	0	0	0	0	111.8	L657 N662	L657-S660 PolarHBondContact O-N 3Å; S660-N662 PolarHBondContact O-N 3.04Å; S660-N662 VanDerWaalsContact O-N 3.11Å
661	K	45.9	Very low	55.4	Low	212 Å²	212	97 Å²	97	92%	0.922	52%	0.52	S	S	*	.	S	Bend	trans	-66.2	-8.8	179.9	-73.2	-177.5	175.4	178.5	0	114.5
662	N	42.8	Very low	55.1	Low	102 Å²	102	99.8 Å²	99.8	55%	0.545	53%	0.526	S	S	.	.			trans	-107	82.5	179.1	-83.9	-4	0	0	0	111.2	S660	S660-N662 PolarHBondContact O-N 3.04Å; S660-N662 VanDerWaalsContact O-N 3.11Å
663	I	50.5	Low	55.2	Low	53 Å²	53	103.4 Å²	103.4	27%	0.272	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-28.8	-176.6	-63.4	168.2	0	0	0	112.2	M613 F654	M613-I663 HydrophobicContact CE-CD1 3.41Å; M613-I663 VanDerWaalsContact CE-CD1 3.41Å; M613-I663 HydrophobicContact CG-CD1 3.9Å; M613-I663 HydrophobicContact SD-CD1 3.74Å; F654-I663 HydrophobicContact CD1-CG2 4.08Å; F654-I663 HydrophobicContact CE1-CG2 3.59Å; F654-I663 HydrophobicContact CZ-CG2 4.24Å
664	A	45.4	Very low	56.2	Low	96 Å²	96	102.4 Å²	102.4	79%	0.793	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-28	-170.7	0	0	0	0	0	114.8
665	E	44.4	Very low	57.4	Low	159 Å²	159	101.1 Å²	101.1	74%	0.743	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-24.7	-171.4	-73.1	-178.9	164.1	0	0	114.1
666	N	39.7	Very low	59.3	Low	100 Å²	100	96.4 Å²	96.4	54%	0.535	51%	0.509	S	S	.	.			trans	-94.4	9.7	-176.7	-92	-6.9	0	0	0	114.5	L657 S668	L657-N666 HydrophobicContact CD2-CB 4.14Å; N666-S668 PolarHBondContact O-N 2.8Å; N666-S668 PolarHBondContact O-OG 2.99Å
667	C	46.1	Very low	61.5	Low	67 Å²	67	89 Å²	89	45%	0.453	47%	0.469	S	S	.	.			trans	-76	50	166.2	-82.3	0	0	0	0	111.1	F654 E669	F654-C667 WeakPolarHBondContact CE1-SG 3.33Å; C667-E669 PolarHBondContact O-N 2.79Å
668	S	46.2	Very low	63.8	Low	93 Å²	93	88 Å²	88	65%	0.65	46%	0.464	S	S	*	.			trans	-69.9	96.8	166.4	32.8	0	0	0	0	108.5	N666 I670	N666-S668 PolarHBondContact O-N 2.8Å; N666-S668 PolarHBondContact O-OG 2.99Å; S668-I670 PolarHBondContact O-N 3.43Å; S668-I670 VanDerWaalsContact O-N 3.13Å
669	E	52.2	Low	66.1	Low	185 Å²	185	82.7 Å²	82.7	86%	0.864	43%	0.432	S	S	*	.			trans	38.7	58	159.2	-65.5	-175.7	158.4	0	0	116.7	C667 Q671	C667-E669 PolarHBondContact O-N 2.79Å; E669-Q671 PolarHBondContact O-N 3.17Å
670	I	55.4	Low	68.5	Low	94 Å²	94	74.9 Å²	74.9	48%	0.482	39%	0.39	S	S	.	.			trans	-61.4	112.8	152.5	-68.6	168.4	0	0	0	106	P651 P653 S668 R672	P651-I670 HydrophobicContact CG-CG2 4.01Å; P653-I670 HydrophobicContact CB-CD1 4.23Å; P653-I670 WeakPolarHBondContact O-CD1 3.28Å; S668-I670 PolarHBondContact O-N 3.43Å; S668-I670 VanDerWaalsContact O-N 3.13Å; I670-R672 PolarHBondContact O-N 3.47Å
671	Q	70.9	Confident	71	Confident	177 Å²	177	72.5 Å²	72.5	83%	0.827	37%	0.373	S	S	*	.			trans	-63.3	104.6	179.4	-171.3	175.2	5.2	0	0	108.3	E669 K673	E669-Q671 PolarHBondContact O-N 3.17Å; Q671-K673 PolarHBondContact O-N 2.99Å
672	R	82.5	Confident	73.5	Confident	92 Å²	92	62.5 Å²	62.5	35%	0.347	33%	0.33	S	S	.	.			trans	-53.3	126.5	174	64.2	-170.6	176.6	164.3	6.1	109.1	N650 I670 K693 N694	N650-R672 CarbonylContact O-C 3.59Å; I670-R672 PolarHBondContact O-N 3.47Å; R672-K693 PolarHBondContact NH1-O 2.99Å; R672-N694 PolarHBondContact NH1-O 3.34Å; R672-N694 PolarHBondContact NH2-O 3.28Å
673	K	89.7	Confident	76	Confident	82 Å²	82	59.1 Å²	59.1	36%	0.357	31%	0.313	S	S	.	.	S	Bend	trans	-67.7	-55.3	173.8	-173.6	178.6	178.1	-176.4	0	108.7	R459 L460 E463 N650 Q671	R459-K673 PolarHBondContact NH1-O 3.27Å; R459-K673 PolarHBondContact NH2-O 3.08Å; L460-K673 WeakPolarHBondContact CD2-O 3.44Å; E463-K673 VanDerWaalsContact CD-NZ 3.3Å; E463-K673 WeakPolarHBondContact OE1-CE 3.21Å; E463-K673 IonicContact OE1-NZ 2.8Å; E463-K673 PolarHBondContact OE1-NZ 3.17Å; E463-K673 WeakPolarHBondContact OE2-CE 3.33Å; E463-K673 IonicContact OE2-NZ 3.45Å; E463-K673 PolarHBondContact OE2-NZ 3.4Å; N650-K673 WeakPolarHBondContact O-CA 3.42Å; N650-K673 WeakPolarHBondContact O-CB 3.39Å; N650-K673 PolarHBondContact O-N 3.24Å; N650-K673 WeakPolarHBondContact OD1-CD 3.48Å; Q671-K673 PolarHBondContact O-N 2.99Å
674	W	95.3	Very high	78.1	Confident	6 Å²	6	60 Å²	60	2%	0.023	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.9	176.4	55.8	-106.8	0	0	0	112.5	L460 P466 L491 I630 I648 N650 I676 D696 F768	L460-W674 HydrophobicContact CD1-CB 3.48Å; L460-W674 VanDerWaalsContact CD1-CB 3.48Å; P466-W674 HydrophobicContact CG-CD2 4.46Å; P466-W674 HydrophobicContact CG-CH2 4.26Å; P466-W674 HydrophobicContact CG-CZ2 4.07Å; L491-W674 HydrophobicContact CD2-CH2 4.13Å; L491-W674 HydrophobicContact CD2-CZ2 4.41Å; I630-W674 HydrophobicContact CG2-CH2 3.82Å; I630-W674 HydrophobicContact CG2-CZ2 4.24Å; I648-W674 HydrophobicContact CG2-CH2 4.23Å; I648-W674 HydrophobicContact CG2-CZ3 4.02Å; N650-W674 HydrophobicContact CB-CD2 3.56Å; N650-W674 HydrophobicContact CB-CE3 3.99Å; N650-W674 HydrophobicContact CB-CG 4.16Å; N650-W674 HydrophobicContact CB-CH2 3.72Å; N650-W674 HydrophobicContact CB-CZ2 3.26Å; N650-W674 HydrophobicContact CB-CZ3 4.05Å; N650-W674 PolarHBondContact N-O 2.86Å; N650-W674 PolarHBondContact O-N 3.03Å; N650-W674 PolarHBondContact OD1-NE1 2.78Å; W674-I676 HydrophobicContact CE3-CD1 4.16Å; W674-I676 HydrophobicContact CE3-CG1 3.99Å; W674-I676 HydrophobicContact CZ3-CD1 4.12Å; W674-I676 HydrophobicContact CZ3-CG1 4.19Å; W674-D696 VanDerWaalsContact CA-OD2 3.24Å; W674-D696 WeakPolarHBondContact CA-OD2 3.44Å; W674-F768 HydrophobicContact CB-CE2 3.76Å; W674-F768 HydrophobicContact CB-CZ 3.91Å; W674-F768 HydrophobicContact CD2-CE2 4.4Å; W674-F768 AromaticContact CG-CE2 3.9Å; W674-F768 HydrophobicContact CG-CE2 3.9Å; W674-F768 HydrophobicContact CG-CZ 4.36Å
675	S	95.8	Very high	80.5	Confident	1 Å²	1	56 Å²	56	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	127.1	177.9	-175.2	0	0	0	0	110.9	I648 D649 D696 L697	I648-S675 CarbonylContact O-C 3.24Å; I648-S675 WeakPolarHBondContact O-CA 3.28Å; D649-S675 VanDerWaalsContact OD1-CB 3.23Å; D649-S675 WeakPolarHBondContact OD1-CB 3.4Å; D649-S675 PolarHBondContact OD1-OG 2.9Å; S675-D696 PolarHBondContact N-OD2 3.21Å; S675-D696 WeakPolarHBondContact O-CB 3.45Å; S675-D696 PolarHBondContact O-N 2.81Å; S675-L697 PolarHBondContact O-N 2.95Å
676	I	98.3	Very high	82.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.2	179.2	-58.9	178.5	0	0	0	109.2	P466 I468 M489 I647 I648 W674 L697 I699 F768	P466-I676 HydrophobicContact CG-CD1 3.56Å; I468-I676 HydrophobicContact CD1-CD1 3.89Å; M489-I676 HydrophobicContact CE-CD1 3.7Å; M489-I676 HydrophobicContact CE-CG2 4.24Å; M489-I676 HydrophobicContact SD-CD1 4.29Å; I647-I676 WeakPolarHBondContact CA-O 3.48Å; I648-I676 PolarHBondContact N-O 3.31Å; I648-I676 PolarHBondContact O-N 3.41Å; W674-I676 HydrophobicContact CE3-CD1 4.16Å; W674-I676 HydrophobicContact CE3-CG1 3.99Å; W674-I676 HydrophobicContact CZ3-CD1 4.12Å; W674-I676 HydrophobicContact CZ3-CG1 4.19Å; I676-L697 CarbonylContact C-O 3.57Å; I676-L697 VanDerWaalsContact CA-O 3.31Å; I676-L697 WeakPolarHBondContact CA-O 2.97Å; I676-L697 HydrophobicContact CG1-CB 4.27Å; I676-L697 HydrophobicContact CG2-CB 4.49Å; I676-L697 HydrophobicContact CG2-CD2 4.41Å; I676-L697 HydrophobicContact CG2-CG 4.49Å; I676-I699 HydrophobicContact CG2-CD1 4.38Å; I676-F768 HydrophobicContact CD1-CZ 4.11Å; I676-F768 HydrophobicContact CG1-CZ 4.05Å
677	V	98.7	Very high	85.3	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.3	175	-179	0	0	0	0	108.8	F646 I647 L688 C695 L697 L698 I699 M730	F646-V677 CarbonylContact O-C 3.59Å; F646-V677 WeakPolarHBondContact O-CA 3.33Å; I647-V677 HydrophobicContact CG1-CG2 4.23Å; I647-V677 HydrophobicContact CG2-CG2 4.15Å; V677-L688 HydrophobicContact CG1-CD1 3.84Å; V677-C695 HydrophobicContact CG2-CB 3.57Å; V677-L697 PolarHBondContact N-O 2.95Å; V677-L698 HydrophobicContact CB-CD1 3.78Å; V677-L698 HydrophobicContact CG1-CD1 3.62Å; V677-I699 PolarHBondContact O-N 2.57Å; V677-M730 HydrophobicContact CG1-SD 4.44Å
678	Y	98.8	Very high	87.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.3	170.2	178.2	-133.9	0	0	0	109.5	I487 L499 D500 T531 A645 F646 I699 E701	I487-Y678 HydrophobicContact CD1-CD2 4.21Å; I487-Y678 HydrophobicContact CD1-CE2 3.86Å; L499-Y678 HydrophobicContact CB-CD1 3.69Å; L499-Y678 HydrophobicContact CB-CE1 3.72Å; L499-Y678 HydrophobicContact CB-CG 4.33Å; L499-Y678 HydrophobicContact CD1-CD1 4.12Å; L499-Y678 HydrophobicContact CD1-CG 3.98Å; L499-Y678 HydrophobicContact CG-CD1 4.42Å; D500-Y678 WeakPolarHBondContact OD2-CE1 3.38Å; D500-Y678 PolarHBondContact OD2-OH 3.1Å; T531-Y678 HydrophobicContact CG2-CD1 3.69Å; T531-Y678 HydrophobicContact CG2-CE1 3.27Å; A645-Y678 CarbonylContact C-O 3.56Å; A645-Y678 VanDerWaalsContact CA-O 3.28Å; A645-Y678 WeakPolarHBondContact CA-O 3.31Å; A645-Y678 WeakPolarHBondContact CB-O 3.48Å; F646-Y678 HydrophobicContact CD2-CD1 4.32Å; F646-Y678 PolarHBondContact N-O 2.85Å; F646-Y678 PolarHBondContact O-N 2.97Å; Y678-I699 WeakPolarHBondContact CA-O 3.34Å; Y678-I699 HydrophobicContact CD2-CB 4.15Å; Y678-I699 HydrophobicContact CD2-CG2 4.03Å; Y678-I699 HydrophobicContact CE2-CG2 4.37Å; Y678-E701 HydrophobicContact CE2-CG 4.47Å; Y678-E701 WeakPolarHBondContact CE2-OE1 3.34Å
679	S	98.5	Very high	90	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.			trans	-72.3	-31.7	-169	70.9	0	0	0	0	114.1	A645 I699 H700 E701	A645-S679 WeakPolarHBondContact CA-O 3.41Å; A645-S679 VanDerWaalsContact CB-O 3.23Å; A645-S679 WeakPolarHBondContact CB-O 3.32Å; S679-I699 PolarHBondContact N-O 3.41Å; S679-H700 WeakPolarHBondContact OG-CA 3.4Å; S679-E701 PolarHBondContact OG-N 3.14Å
680	G	97.3	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.			trans	56.1	-177.3	-156.5	0	0	0	0	0	112.3	T682 E701	G680-T682 PolarHBondContact O-N 3.07Å; G680-E701 VanDerWaalsContact O-CG 3.24Å; G680-E701 WeakPolarHBondContact O-CG 3.49Å
681	D	97.3	Very high	93.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.187	C	C	.	.	S	Bend	trans	-64.6	121.9	175.2	-80.8	4	0	0	0	109.6	H532 H537 H639 H717 H739	H532-D681 IonicContact CE1-OD2 2.67Å; H532-D681 IonicContact NE2-OD2 3.15Å; H537-D681 IonicContact CE1-OD1 3.41Å; H537-D681 IonicContact NE2-OD1 2.77Å; H537-D681 IonicContact NE2-OD2 3.27Å; H639-D681 WeakPolarHBondContact CB-O 3.36Å; H639-D681 VanDerWaalsContact CD2-CB 3.49Å; H639-D681 WeakPolarHBondContact CD2-CB 3.48Å; H639-D681 IonicContact CE1-OD2 3.47Å; H639-D681 IonicContact NE2-OD2 3.35Å; D681-H717 IonicContact OD2-CE1 3.75Å; D681-H717 PolarHBondContact OD2-CE1 2.77Å; D681-H717 IonicContact OD2-NE2 2.89Å; D681-H739 IonicContact OD1-CE1 3.74Å; D681-H739 PolarHBondContact OD1-CE1 3.28Å; D681-H739 IonicContact OD1-CG 3.9Å; D681-H739 IonicContact OD1-ND1 3.95Å; D681-H739 PolarHBondContact OD1-ND1 3.19Å; D681-H739 IonicContact OD1-NE2 3.43Å; D681-H739 IonicContact OD2-CE1 3.55Å; D681-H739 PolarHBondContact OD2-CE1 3.43Å; D681-H739 IonicContact OD2-NE2 3.95Å
682	T	97.4	Very high	94.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.148	C	C	.	.			trans	-158.2	145.2	178.6	-176	0	0	0	0	111.3	V637 G680 L688 H717 S718	V637-T682 WeakPolarHBondContact CB-OG1 3.42Å; G680-T682 PolarHBondContact O-N 3.07Å; T682-L688 HydrophobicContact CG2-CD2 4.24Å; T682-H717 CarbonylContact O-C 3.5Å; T682-S718 WeakPolarHBondContact O-CB 3.28Å; T682-S718 PolarHBondContact O-N 2.91Å; T682-S718 PolarHBondContact O-OG 3.21Å
683	P	96.5	Very high	95.4	Very high	30 Å²	30	30.5 Å²	30.5	20%	0.195	16%	0.158	C	C	.	.	S	Bend	trans	-75.3	-173.4	157.1	37.3	-33.2	0	0	0	109.3	P638 C685 K716 S718	P638-P683 HydrophobicContact CG-CG 3.81Å; P683-C685 PolarHBondContact O-N 3.33Å; P683-K716 VanDerWaalsContact CD-O 3.23Å; P683-K716 WeakPolarHBondContact CD-O 3.33Å; P683-K716 HydrophobicContact CG-CB 4.3Å; P683-S718 WeakPolarHBondContact CA-OG 3.27Å
684	S	93.8	Very high	95.6	Very high	73 Å²	73	29.6 Å²	29.6	51%	0.51	16%	0.157	S	C	.	.			trans	-51.4	127.7	174.5	-176.9	0	0	0	0	111.6
685	C	95.2	Very high	95.6	Very high	10 Å²	10	29.3 Å²	29.3	7%	0.068	16%	0.156	C	C	.	.			trans	-135.3	98.2	-174.4	-175.9	0	0	0	0	111.2	P683 E687 L688 V689	P683-C685 PolarHBondContact O-N 3.33Å; C685-E687 PolarHBondContact O-N 2.81Å; C685-L688 HydrophobicContact CB-CB 3.9Å; C685-L688 WeakPolarHBondContact O-CB 3.25Å; C685-L688 PolarHBondContact O-N 2.85Å; C685-L688 VanDerWaalsContact O-N 3.16Å; C685-V689 PolarHBondContact O-N 3.23Å; C685-V689 VanDerWaalsContact O-N 3.11Å
686	P	93.3	Very high	95.6	Very high	91 Å²	91	29.3 Å²	29.3	59%	0.591	16%	0.156	S	C	*	.	H	α-helix	trans	-60.7	-29.2	178.5	-26.6	35.6	0	0	0	114.4	V689 R690	P686-V689 PolarHBondContact O-N 2.89Å; P686-R690 WeakPolarHBondContact O-CB 3.45Å; P686-R690 PolarHBondContact O-N 3.47Å
687	E	91.3	Very high	95.6	Very high	65 Å²	65	29.4 Å²	29.4	30%	0.304	16%	0.157	S	C	.	.	H	α-helix	trans	-66.3	-42.8	176	-67.7	-175	171.5	0	0	111.2	V635 C685 R690 A691	V635-E687 HydrophobicContact CG1-CB 4.41Å; C685-E687 PolarHBondContact O-N 2.81Å; E687-R690 PolarHBondContact O-N 3.44Å; E687-A691 VanDerWaalsContact O-CB 3.32Å; E687-A691 WeakPolarHBondContact O-CB 3.47Å; E687-A691 PolarHBondContact O-N 3.46Å
688	L	95.8	Very high	95.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-44.3	173.7	178.7	56.6	0	0	0	111.1	V635 V637 A645 V677 T682 C685 R690 A691 G692 M730	V635-L688 HydrophobicContact CB-CD1 4.42Å; V635-L688 HydrophobicContact CG1-CB 4.43Å; V637-L688 HydrophobicContact CG1-CD2 4.29Å; A645-L688 HydrophobicContact CB-CD1 3.47Å; A645-L688 VanDerWaalsContact CB-CD1 3.47Å; A645-L688 HydrophobicContact CB-CD2 4.06Å; A645-L688 HydrophobicContact CB-CG 4.34Å; V677-L688 HydrophobicContact CG1-CD1 3.84Å; T682-L688 HydrophobicContact CG2-CD2 4.24Å; C685-L688 HydrophobicContact CB-CB 3.9Å; C685-L688 WeakPolarHBondContact O-CB 3.25Å; C685-L688 PolarHBondContact O-N 2.85Å; C685-L688 VanDerWaalsContact O-N 3.16Å; L688-R690 PolarHBondContact O-N 2.91Å; L688-A691 PolarHBondContact O-N 3.01Å; L688-G692 PolarHBondContact O-N 2.94Å; L688-M730 HydrophobicContact CD1-CE 4.45Å; L688-M730 HydrophobicContact CD2-CE 4.21Å; L688-M730 HydrophobicContact CG-CE 3.67Å
689	V	96.1	Very high	95.6	Very high	23 Å²	23	29.4 Å²	29.4	14%	0.139	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-47	176.8	170.9	0	0	0	0	111.9	C685 P686 A691 K693 A726 D729 M730	C685-V689 PolarHBondContact O-N 3.23Å; C685-V689 VanDerWaalsContact O-N 3.11Å; P686-V689 PolarHBondContact O-N 2.89Å; V689-A691 PolarHBondContact O-N 2.79Å; V689-K693 PolarHBondContact O-N 3.27Å; V689-A726 HydrophobicContact CG2-CB 4.23Å; V689-D729 HydrophobicContact CG1-CB 3.57Å; V689-D729 HydrophobicContact CG2-CB 4.34Å; V689-M730 HydrophobicContact CB-CE 4.48Å; V689-M730 HydrophobicContact CB-CG 4.16Å; V689-M730 HydrophobicContact CG1-CG 4.09Å; V689-M730 HydrophobicContact CG2-CE 3.99Å; V689-M730 HydrophobicContact CG2-CG 4.27Å; V689-M730 WeakPolarHBondContact O-CG 3.33Å
690	R	92.9	Very high	95.6	Very high	111 Å²	111	29.5 Å²	29.5	42%	0.419	16%	0.157	S	C	.	.	H	α-helix	trans	-64.2	-41.6	178.5	-173.3	-174.8	-59.7	137.8	3.1	112.1	K603 N606 P686 E687 L688	K603-R690 PolarHBondContact O-NH1 2.87Å; N606-R690 PolarHBondContact ND2-O 2.69Å; N606-R690 VanDerWaalsContact ND2-O 3.11Å; P686-R690 WeakPolarHBondContact O-CB 3.45Å; P686-R690 PolarHBondContact O-N 3.47Å; E687-R690 PolarHBondContact O-N 3.44Å; L688-R690 PolarHBondContact O-N 2.91Å
691	A	91.5	Very high	95.6	Very high	11 Å²	11	29.6 Å²	29.6	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-74.6	-35.8	-175.2	0	0	0	0	0	112.7	N606 R633 V635 I647 E687 L688 V689 K693	N606-A691 WeakPolarHBondContact OD1-CA 3.22Å; R633-A691 PolarHBondContact NH1-O 2.91Å; V635-A691 HydrophobicContact CG2-CB 3.65Å; I647-A691 VanDerWaalsContact CD1-C 3.42Å; I647-A691 HydrophobicContact CD1-CB 3.51Å; I647-A691 VanDerWaalsContact CD1-O 3.29Å; I647-A691 WeakPolarHBondContact CD1-O 3.43Å; E687-A691 VanDerWaalsContact O-CB 3.32Å; E687-A691 WeakPolarHBondContact O-CB 3.47Å; E687-A691 PolarHBondContact O-N 3.46Å; L688-A691 PolarHBondContact O-N 3.01Å; V689-A691 PolarHBondContact O-N 2.79Å; A691-K693 VanDerWaalsContact C-N 3.31Å; A691-K693 PolarHBondContact O-N 3.1Å
692	G	94.2	Very high	95.4	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	9.2	178.2	0	0	0	0	0	115.1	L688 N694 C695	L688-G692 PolarHBondContact O-N 2.94Å; G692-N694 PolarHBondContact O-N 3.12Å; G692-C695 WeakPolarHBondContact O-CB 3.33Å; G692-C695 PolarHBondContact O-N 3.04Å
693	K	94.8	Very high	95.1	Very high	127 Å²	127	29.8 Å²	29.8	55%	0.552	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	134.5	-174.5	-170.2	176.7	-177.9	178.8	0	112.4	R672 V689 A691 C695 M730	R672-K693 PolarHBondContact NH1-O 2.99Å; V689-K693 PolarHBondContact O-N 3.27Å; A691-K693 VanDerWaalsContact C-N 3.31Å; A691-K693 PolarHBondContact O-N 3.1Å; K693-C695 VanDerWaalsContact C-N 3.28Å; K693-C695 PolarHBondContact O-N 3.11Å; K693-M730 CarbonylContact C-O 3.59Å; K693-M730 VanDerWaalsContact CA-O 3.31Å; K693-M730 WeakPolarHBondContact CA-O 3.37Å
694	N	94.9	Very high	94.9	Very high	63 Å²	63	28.7 Å²	28.7	34%	0.337	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	33.6	-179.5	-57.2	-33.6	0	0	0	113.1	R672 G692 M730 N731	R672-N694 PolarHBondContact NH1-O 3.34Å; R672-N694 PolarHBondContact NH2-O 3.28Å; G692-N694 PolarHBondContact O-N 3.12Å; N694-M730 PolarHBondContact N-O 3.28Å; N694-N731 WeakPolarHBondContact CA-O 3.44Å; N694-N731 PolarHBondContact OD1-ND2 2.79Å
695	C	95.7	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.			trans	-69.5	159.4	172.8	67.6	0	0	0	0	111.5	V677 G692 K693 A732 S733	V677-C695 HydrophobicContact CG2-CB 3.57Å; G692-C695 WeakPolarHBondContact O-CB 3.33Å; G692-C695 PolarHBondContact O-N 3.04Å; K693-C695 VanDerWaalsContact C-N 3.28Å; K693-C695 PolarHBondContact O-N 3.11Å; C695-A732 WeakPolarHBondContact O-CA 3.32Å; C695-A732 VanDerWaalsContact SG-CB 3.52Å; C695-S733 PolarHBondContact O-N 2.76Å
696	D	96.3	Very high	94.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	15%	0.15	C	C	.	.	S	Bend	trans	-83.7	-33	178.1	-62.7	-69.8	0	0	0	112.5	R459 L460 W674 S675 S733 F734 F768	R459-D696 IonicContact CZ-OD1 2.71Å; R459-D696 IonicContact CZ-OD2 2.73Å; R459-D696 IonicContact NE-OD1 3.6Å; R459-D696 PolarHBondContact NE-OD1 2.93Å; R459-D696 IonicContact NH2-OD1 2.76Å; R459-D696 PolarHBondContact NH2-OD1 2.86Å; R459-D696 IonicContact NH2-OD2 3.1Å; R459-D696 PolarHBondContact NH2-OD2 3.45Å; L460-D696 HydrophobicContact CD1-CB 4.16Å; W674-D696 VanDerWaalsContact CA-OD2 3.24Å; W674-D696 WeakPolarHBondContact CA-OD2 3.44Å; S675-D696 PolarHBondContact N-OD2 3.21Å; S675-D696 WeakPolarHBondContact O-CB 3.45Å; S675-D696 PolarHBondContact O-N 2.81Å; D696-S733 WeakPolarHBondContact O-CB 3.32Å; D696-F734 PolarHBondContact O-N 3.47Å; D696-F768 HydrophobicContact CB-CE1 3.66Å; D696-F768 HydrophobicContact CB-CZ 4.06Å
697	L	98.1	Very high	94.4	Very high	2 Å²	2	29 Å²	29	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	126	177.1	175.9	64	0	0	0	109.7	I468 S675 I676 V677 I699 F734 L736 F768 L771	I468-L697 HydrophobicContact CD1-CD2 3.44Å; I468-L697 VanDerWaalsContact CD1-CD2 3.44Å; S675-L697 PolarHBondContact O-N 2.95Å; I676-L697 CarbonylContact C-O 3.57Å; I676-L697 VanDerWaalsContact CA-O 3.31Å; I676-L697 WeakPolarHBondContact CA-O 2.97Å; I676-L697 HydrophobicContact CG1-CB 4.27Å; I676-L697 HydrophobicContact CG2-CB 4.49Å; I676-L697 HydrophobicContact CG2-CD2 4.41Å; I676-L697 HydrophobicContact CG2-CG 4.49Å; V677-L697 PolarHBondContact N-O 2.95Å; L697-I699 HydrophobicContact CD2-CD1 4.25Å; L697-I699 HydrophobicContact CD2-CG1 4.05Å; L697-I699 HydrophobicContact CG-CG1 4.07Å; L697-F734 HydrophobicContact CD1-CB 4.31Å; L697-F734 HydrophobicContact CD1-CD1 3.91Å; L697-L736 HydrophobicContact CD1-CB 4.05Å; L697-F768 HydrophobicContact CB-CE1 4.04Å; L697-L771 HydrophobicContact CD1-CD1 4.2Å; L697-L771 HydrophobicContact CD1-CD2 4.22Å
698	L	98.8	Very high	94.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.6	164.4	170.4	64.6	0	0	0	108.8	V677 H700 M730 A732 F734 I735 L736	V677-L698 HydrophobicContact CB-CD1 3.78Å; V677-L698 HydrophobicContact CG1-CD1 3.62Å; L698-H700 HydrophobicContact CD1-CB 4.27Å; L698-H700 HydrophobicContact CD2-CB 4.21Å; L698-H700 HydrophobicContact CG-CB 4.03Å; L698-M730 HydrophobicContact CD1-CE 4.22Å; L698-M730 HydrophobicContact CD1-SD 4.06Å; L698-M730 HydrophobicContact CD2-CE 4.28Å; L698-M730 HydrophobicContact CD2-SD 4.02Å; L698-A732 HydrophobicContact CB-CB 4.05Å; L698-F734 PolarHBondContact N-O 3.43Å; L698-I735 HydrophobicContact CD2-CG2 4.37Å; L698-I735 CarbonylContact O-C 3.6Å; L698-I735 WeakPolarHBondContact O-CA 3.32Å; L698-L736 PolarHBondContact O-N 3.42Å
699	I	98.8	Very high	94.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.2	164.6	-54.2	174.8	0	0	0	107	I468 F470 I487 I676 V677 Y678 S679 L697 L736 N738	I468-I699 HydrophobicContact CD1-CD1 4.41Å; I468-I699 HydrophobicContact CG2-CD1 4.31Å; F470-I699 HydrophobicContact CE1-CG2 4.22Å; F470-I699 HydrophobicContact CZ-CD1 4.13Å; I487-I699 HydrophobicContact CD1-CD1 4.26Å; I487-I699 HydrophobicContact CD1-CG2 3.83Å; I676-I699 HydrophobicContact CG2-CD1 4.38Å; V677-I699 PolarHBondContact O-N 2.57Å; Y678-I699 WeakPolarHBondContact CA-O 3.34Å; Y678-I699 HydrophobicContact CD2-CB 4.15Å; Y678-I699 HydrophobicContact CD2-CG2 4.03Å; Y678-I699 HydrophobicContact CE2-CG2 4.37Å; S679-I699 PolarHBondContact N-O 3.41Å; L697-I699 HydrophobicContact CD2-CD1 4.25Å; L697-I699 HydrophobicContact CD2-CG1 4.05Å; L697-I699 HydrophobicContact CG-CG1 4.07Å; I699-L736 CarbonylContact C-O 3.56Å; I699-L736 WeakPolarHBondContact CA-O 3.48Å; I699-N738 HydrophobicContact CG2-CB 4.01Å
700	H	98.6	Very high	94.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.2	-175	-156.7	-61.1	0	0	0	111.7	S679 L698 A702 A723 L736 L737 N738	S679-H700 WeakPolarHBondContact OG-CA 3.4Å; L698-H700 HydrophobicContact CD1-CB 4.27Å; L698-H700 HydrophobicContact CD2-CB 4.21Å; L698-H700 HydrophobicContact CG-CB 4.03Å; H700-A702 PolarHBondContact O-N 2.92Å; H700-A723 HydrophobicContact CB-CB 4.15Å; H700-A723 WeakPolarHBondContact ND1-CB 3.38Å; H700-L736 PolarHBondContact N-O 3.19Å; H700-L737 WeakPolarHBondContact O-CA 3.35Å; H700-N738 PolarHBondContact O-N 3.12Å
701	E	97.1	Very high	94.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	121.1	173.1	-52	-69.8	84	0	0	109	H537 Y678 S679 G680 N738 H739	H537-E701 IonicContact CE1-OE2 3.97Å; Y678-E701 HydrophobicContact CE2-CG 4.47Å; Y678-E701 WeakPolarHBondContact CE2-OE1 3.34Å; S679-E701 PolarHBondContact OG-N 3.14Å; G680-E701 VanDerWaalsContact O-CG 3.24Å; G680-E701 WeakPolarHBondContact O-CG 3.49Å; E701-N738 CarbonylContact C-O 3.58Å; E701-N738 WeakPolarHBondContact CA-O 3.48Å; E701-N738 WeakPolarHBondContact OE1-CB 3.34Å; E701-N738 PolarHBondContact OE1-ND2 3.06Å; E701-H739 HydrophobicContact CB-CB 3.95Å; E701-H739 HydrophobicContact CG-CB 4.07Å; E701-H739 WeakPolarHBondContact OE1-CB 3.48Å; E701-H739 WeakPolarHBondContact OE2-CB 3.37Å; E701-H739 IonicContact OE2-CD2 3.43Å; E701-H739 PolarHBondContact OE2-CD2 2.72Å; E701-H739 IonicContact OE2-CG 3.81Å; E701-H739 IonicContact OE2-NE2 3.21Å
702	A	93.1	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-127.7	66.5	-172.8	0	0	0	0	0	109.9	H700 V704 A723 L737 N738 F740	H700-A702 PolarHBondContact O-N 2.92Å; A702-V704 PolarHBondContact O-N 2.88Å; A702-A723 HydrophobicContact CB-CB 4.07Å; A702-L737 HydrophobicContact CB-CB 4.05Å; A702-L737 HydrophobicContact CB-CD2 3.94Å; A702-L737 HydrophobicContact CB-CG 4.44Å; A702-N738 PolarHBondContact N-O 3.34Å; A702-F740 HydrophobicContact CB-CE1 4.36Å; A702-F740 WeakPolarHBondContact O-CD1 3.48Å
703	T	89.9	Confident	94.2	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.055	17%	0.172	C	C	.	.			trans	-61.2	-39.5	-163.7	-47.3	0	0	0	0	114.3	H717 H739 S741	T703-H717 WeakPolarHBondContact CB-ND1 3.14Å; T703-H717 PolarHBondContact OG1-ND1 3.23Å; T703-H739 WeakPolarHBondContact CA-O 3.46Å; T703-S741 WeakPolarHBondContact O-CA 3.49Å; T703-S741 WeakPolarHBondContact O-CB 3.41Å; T703-S741 PolarHBondContact O-N 3.39Å
704	V	92	Very high	94.1	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.048	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-136.7	155.9	-179.1	-67	0	0	0	0	111.4	A702 A712 T719 T720	A702-V704 PolarHBondContact O-N 2.88Å; V704-A712 HydrophobicContact CG2-CB 3.62Å; V704-T719 HydrophobicContact CG2-CG2 4.44Å; V704-T719 CarbonylContact O-C 3.45Å; V704-T719 WeakPolarHBondContact O-CA 3.47Å; V704-T720 PolarHBondContact O-N 2.78Å; V704-T720 PolarHBondContact O-OG1 3.16Å
705	N	91.3	Very high	93.9	Very high	33 Å²	33	34.6 Å²	34.6	18%	0.176	19%	0.186	C	C	.	.			trans	-79.7	169	171.9	-161.3	20.7	0	0	0	111.1	E707 Y708 Y744 P749	N705-E707 WeakPolarHBondContact CB-OE2 3.33Å; N705-E707 VanDerWaalsContact ND2-CD 3.3Å; N705-E707 PolarHBondContact ND2-OE1 3.18Å; N705-E707 PolarHBondContact ND2-OE2 3.02Å; N705-E707 PolarHBondContact O-N 3.16Å; N705-E707 VanDerWaalsContact O-N 3.17Å; N705-Y708 PolarHBondContact O-N 3.39Å; N705-Y744 HydrophobicContact CB-CE1 4.48Å; N705-Y744 WeakPolarHBondContact CB-OH 3.42Å; N705-Y744 PolarHBondContact N-OH 2.96Å; N705-P749 HydrophobicContact CB-CB 3.87Å
706	D	90.5	Very high	93.9	Very high	68 Å²	68	40 Å²	40	36%	0.364	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.7	-25.8	-170.9	-63.7	-10.7	0	0	0	114	Y708 V709 T719 S721	D706-Y708 PolarHBondContact O-N 3.4Å; D706-Y708 VanDerWaalsContact O-N 3.07Å; D706-V709 PolarHBondContact O-N 2.89Å; D706-T719 VanDerWaalsContact OD1-CB 3.32Å; D706-T719 WeakPolarHBondContact OD1-CB 3.4Å; D706-T719 PolarHBondContact OD1-OG1 3.42Å; D706-S721 VanDerWaalsContact CG-OG 3.3Å; D706-S721 VanDerWaalsContact OD1-CB 3.28Å; D706-S721 WeakPolarHBondContact OD1-CB 3.4Å; D706-S721 PolarHBondContact OD1-N 3.18Å; D706-S721 PolarHBondContact OD1-OG 2.62Å; D706-S721 WeakPolarHBondContact OD2-CB 3.34Å; D706-S721 PolarHBondContact OD2-OG 3.25Å
707	E	90.5	Very high	93.8	Very high	80 Å²	80	41 Å²	41	37%	0.374	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-65	-15	177	-42.7	94.4	166.3	0	0	112.7	N705 A796 Y799	N705-E707 WeakPolarHBondContact CB-OE2 3.33Å; N705-E707 VanDerWaalsContact ND2-CD 3.3Å; N705-E707 PolarHBondContact ND2-OE1 3.18Å; N705-E707 PolarHBondContact ND2-OE2 3.02Å; N705-E707 PolarHBondContact O-N 3.16Å; N705-E707 VanDerWaalsContact O-N 3.17Å; E707-A796 HydrophobicContact CG-CB 4.41Å; E707-Y799 WeakPolarHBondContact O-CE1 3.24Å
708	Y	92.3	Very high	93.8	Very high	5 Å²	5	41 Å²	41	2%	0.02	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-113.8	27.3	179.6	-56.5	-80	0	0	0	112.7	N705 D706 D710 L711 A712 A796 Y799	N705-Y708 PolarHBondContact O-N 3.39Å; D706-Y708 PolarHBondContact O-N 3.4Å; D706-Y708 VanDerWaalsContact O-N 3.07Å; Y708-D710 PolarHBondContact O-N 2.73Å; Y708-D710 VanDerWaalsContact O-N 3.15Å; Y708-L711 HydrophobicContact CD1-CD1 3.79Å; Y708-L711 HydrophobicContact CG-CD1 4.36Å; Y708-L711 WeakPolarHBondContact O-CB 3.38Å; Y708-L711 PolarHBondContact O-N 2.74Å; Y708-A712 PolarHBondContact O-N 2.91Å; Y708-A796 HydrophobicContact CE2-CB 4.38Å; Y708-A796 VanDerWaalsContact OH-CA 3.31Å; Y708-A796 WeakPolarHBondContact OH-CA 3.31Å; Y708-A796 PolarHBondContact OH-N 3.21Å; Y708-Y799 AromaticContact CD1-CD1 3.56Å; Y708-Y799 HydrophobicContact CD1-CD1 3.56Å; Y708-Y799 HydrophobicContact CD1-CD2 4.04Å; Y708-Y799 AromaticContact CD1-CE1 3.6Å; Y708-Y799 HydrophobicContact CD1-CE1 3.6Å; Y708-Y799 HydrophobicContact CD1-CE2 4.07Å; Y708-Y799 AromaticContact CD1-CG 3.8Å; Y708-Y799 HydrophobicContact CD1-CG 3.8Å; Y708-Y799 AromaticContact CD1-CZ 3.86Å; Y708-Y799 AromaticContact CE1-CD1 3.61Å; Y708-Y799 HydrophobicContact CE1-CD1 3.61Å; Y708-Y799 AromaticContact CE1-CD2 3.74Å; Y708-Y799 HydrophobicContact CE1-CD2 3.74Å; Y708-Y799 HydrophobicContact CE1-CE1 4.11Å; Y708-Y799 HydrophobicContact CE1-CE2 4.22Å; Y708-Y799 AromaticContact CE1-CG 3.4Å; Y708-Y799 HydrophobicContact CE1-CG 3.4Å; Y708-Y799 VanDerWaalsContact CE1-CG 3.4Å; Y708-Y799 HydrophobicContact CG-CE1 4.47Å
709	V	92.9	Very high	93.6	Very high	69 Å²	69	41.1 Å²	41.1	42%	0.418	22%	0.215	S	C	.	.	H	α-helix	trans	-53.3	-34.9	-179	65.4	0	0	0	0	113.1	D706 L711 A712 V713 T719	D706-V709 PolarHBondContact O-N 2.89Å; V709-L711 PolarHBondContact O-N 2.77Å; V709-A712 WeakPolarHBondContact O-CB 3.44Å; V709-A712 PolarHBondContact O-N 3.43Å; V709-V713 HydrophobicContact CG2-CG2 4.38Å; V709-V713 VanDerWaalsContact O-CG2 3.31Å; V709-V713 WeakPolarHBondContact O-CG2 3.42Å; V709-V713 PolarHBondContact O-N 2.8Å; V709-T719 HydrophobicContact CB-CG2 4.06Å; V709-T719 HydrophobicContact CG2-CG2 4.1Å
710	D	93.5	Very high	93.5	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-37.5	177.2	70	-47.8	0	0	0	112.5	Y708 K714 Y799 K803	Y708-D710 PolarHBondContact O-N 2.73Å; Y708-D710 VanDerWaalsContact O-N 3.15Å; D710-K714 WeakPolarHBondContact O-CB 3.41Å; D710-K714 PolarHBondContact O-N 2.87Å; D710-Y799 PolarHBondContact OD1-OH 2.93Å; D710-Y799 PolarHBondContact OD2-OH 2.84Å; D710-K803 WeakPolarHBondContact OD2-CE 3.47Å; D710-K803 IonicContact OD2-NZ 3.48Å
711	L	92.3	Very high	93.4	Very high	53 Å²	53	43.9 Å²	43.9	28%	0.277	23%	0.234	S	C	.	.	H	α-helix	trans	-68.1	-40.7	172.7	-57.9	-175.2	0	0	0	111.3	Y708 V709 K714 A715 Y799	Y708-L711 HydrophobicContact CD1-CD1 3.79Å; Y708-L711 HydrophobicContact CG-CD1 4.36Å; Y708-L711 WeakPolarHBondContact O-CB 3.38Å; Y708-L711 PolarHBondContact O-N 2.74Å; V709-L711 PolarHBondContact O-N 2.77Å; L711-K714 PolarHBondContact O-N 3.37Å; L711-A715 WeakPolarHBondContact O-CB 3.43Å; L711-A715 PolarHBondContact O-N 3.19Å; L711-Y799 HydrophobicContact CD1-CE2 4.29Å; L711-Y799 WeakPolarHBondContact CG-OH 3.13Å
712	A	93.4	Very high	93.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-49.4	176.7	0	0	0	0	0	111	V704 Y708 V709 K714 A715 K716 H717 T719	V704-A712 HydrophobicContact CG2-CB 3.62Å; Y708-A712 PolarHBondContact O-N 2.91Å; V709-A712 WeakPolarHBondContact O-CB 3.44Å; V709-A712 PolarHBondContact O-N 3.43Å; A712-K714 PolarHBondContact O-N 3.45Å; A712-A715 PolarHBondContact O-N 3.39Å; A712-K716 WeakPolarHBondContact O-CA 3.35Å; A712-K716 PolarHBondContact O-N 3.03Å; A712-H717 PolarHBondContact O-N 2.85Å; A712-T719 HydrophobicContact CB-CG2 3.75Å
713	V	94.2	Very high	93.6	Very high	100 Å²	100	46.7 Å²	46.7	61%	0.606	25%	0.247	S	C	*	.	H	α-helix	trans	-60.3	-46.8	178.1	171	0	0	0	0	110.9	V709 A715 K716	V709-V713 HydrophobicContact CG2-CG2 4.38Å; V709-V713 VanDerWaalsContact O-CG2 3.31Å; V709-V713 WeakPolarHBondContact O-CG2 3.42Å; V709-V713 PolarHBondContact O-N 2.8Å; V713-A715 VanDerWaalsContact C-N 3.31Å; V713-A715 PolarHBondContact O-N 2.84Å; V713-K716 PolarHBondContact O-N 3.2Å; V713-K716 VanDerWaalsContact O-N 3.12Å
714	K	92.1	Very high	94	Very high	184 Å²	184	46.6 Å²	46.6	80%	0.8	25%	0.246	S	C	*	.	H	α-helix	trans	-61.9	-38.2	179.2	-175.8	176.6	-179.5	175.6	0	112.7	D710 L711 A712 K716	D710-K714 WeakPolarHBondContact O-CB 3.41Å; D710-K714 PolarHBondContact O-N 2.87Å; L711-K714 PolarHBondContact O-N 3.37Å; A712-K714 PolarHBondContact O-N 3.45Å; K714-K716 VanDerWaalsContact C-N 3.33Å
715	A	91.1	Very high	94.2	Very high	47 Å²	47	50.5 Å²	50.5	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-81	-13.7	178	0	0	0	0	0	113.1	L711 A712 V713 H717	L711-A715 WeakPolarHBondContact O-CB 3.43Å; L711-A715 PolarHBondContact O-N 3.19Å; A712-A715 PolarHBondContact O-N 3.39Å; V713-A715 VanDerWaalsContact C-N 3.31Å; V713-A715 PolarHBondContact O-N 2.84Å; A715-H717 HydrophobicContact CB-CB 4.46Å; A715-H717 PolarHBondContact O-CD2 3.17Å
716	K	95.2	Very high	94.6	Very high	112 Å²	112	49.2 Å²	49.2	49%	0.487	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	50	-167.2	-55.6	174.8	174.8	-175.8	0	111.9	H639 P683 A712 V713 K714	H639-K716 PolarHBondContact ND1-O 2.78Å; H639-K716 VanDerWaalsContact ND1-O 3.07Å; H639-K716 VanDerWaalsContact O-CD 3.24Å; H639-K716 WeakPolarHBondContact O-CD 3.35Å; P683-K716 VanDerWaalsContact CD-O 3.23Å; P683-K716 WeakPolarHBondContact CD-O 3.33Å; P683-K716 HydrophobicContact CG-CB 4.3Å; A712-K716 WeakPolarHBondContact O-CA 3.35Å; A712-K716 PolarHBondContact O-N 3.03Å; V713-K716 PolarHBondContact O-N 3.2Å; V713-K716 VanDerWaalsContact O-N 3.12Å; K714-K716 VanDerWaalsContact C-N 3.33Å
717	H	95	Very high	94.9	Very high	24 Å²	24	46 Å²	46	11%	0.111	24%	0.241	C	C	.	.			trans	-115.5	167.4	176	-69.3	-147.6	0	0	0	109.1	H639 D681 T682 T703 A712 A715	H639-H717 AromaticContact CE1-CD2 3.53Å; H639-H717 AromaticContact CE1-NE2 3.24Å; H639-H717 PolarHBondContact CE1-NE2 2.88Å; H639-H717 AromaticContact ND1-CD2 3.72Å; H639-H717 AromaticContact ND1-NE2 3.91Å; D681-H717 IonicContact OD2-CE1 3.75Å; D681-H717 PolarHBondContact OD2-CE1 2.77Å; D681-H717 IonicContact OD2-NE2 2.89Å; T682-H717 CarbonylContact O-C 3.5Å; T703-H717 WeakPolarHBondContact CB-ND1 3.14Å; T703-H717 PolarHBondContact OG1-ND1 3.23Å; A712-H717 PolarHBondContact O-N 2.85Å; A715-H717 HydrophobicContact CB-CB 4.46Å; A715-H717 PolarHBondContact O-CD2 3.17Å
718	S	96.5	Very high	95.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	24%	0.243	C	C	.	.			trans	-92.2	143.2	170.8	-67.1	0	0	0	0	110.9	T682 P683	T682-S718 WeakPolarHBondContact O-CB 3.28Å; T682-S718 PolarHBondContact O-N 2.91Å; T682-S718 PolarHBondContact O-OG 3.21Å; P683-S718 WeakPolarHBondContact CA-OG 3.27Å
719	T	96.1	Very high	95.6	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.025	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-72.8	164.9	160.7	54.8	0	0	0	0	110.8	V704 D706 V709 A712 S721 Q722 A723	V704-T719 HydrophobicContact CG2-CG2 4.44Å; V704-T719 CarbonylContact O-C 3.45Å; V704-T719 WeakPolarHBondContact O-CA 3.47Å; D706-T719 VanDerWaalsContact OD1-CB 3.32Å; D706-T719 WeakPolarHBondContact OD1-CB 3.4Å; D706-T719 PolarHBondContact OD1-OG1 3.42Å; V709-T719 HydrophobicContact CB-CG2 4.06Å; V709-T719 HydrophobicContact CG2-CG2 4.1Å; A712-T719 HydrophobicContact CB-CG2 3.75Å; T719-S721 VanDerWaalsContact C-N 3.34Å; T719-S721 PolarHBondContact O-N 3.43Å; T719-Q722 PolarHBondContact O-N 2.97Å; T719-Q722 WeakPolarHBondContact OG1-CB 3.28Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.48Å; T719-Q722 PolarHBondContact OG1-N 2.96Å; T719-Q722 PolarHBondContact OG1-OE1 3.45Å; T719-A723 PolarHBondContact O-N 2.82Å
720	T	95.4	Very high	95.8	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-54.1	-47.5	174	-60	0	0	0	0	112.1	V704 Q722 A723 I724 L737 P749 I750	V704-T720 PolarHBondContact O-N 2.78Å; V704-T720 PolarHBondContact O-OG1 3.16Å; T720-Q722 PolarHBondContact O-N 2.86Å; T720-A723 PolarHBondContact O-N 2.81Å; T720-I724 HydrophobicContact CG2-CD1 4.04Å; T720-I724 WeakPolarHBondContact O-CG1 3.48Å; T720-I724 PolarHBondContact O-N 3.28Å; T720-L737 HydrophobicContact CG2-CD1 3.84Å; T720-P749 WeakPolarHBondContact OG1-CG 3.49Å; T720-I750 HydrophobicContact CG2-CB 4.36Å
721	S	96	Very high	96	Very high	55 Å²	55	50.4 Å²	50.4	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-68.7	-35.2	179.1	-69.4	0	0	0	0	113	D706 T719 I724 Q725	D706-S721 VanDerWaalsContact CG-OG 3.3Å; D706-S721 VanDerWaalsContact OD1-CB 3.28Å; D706-S721 WeakPolarHBondContact OD1-CB 3.4Å; D706-S721 PolarHBondContact OD1-N 3.18Å; D706-S721 PolarHBondContact OD1-OG 2.62Å; D706-S721 WeakPolarHBondContact OD2-CB 3.34Å; D706-S721 PolarHBondContact OD2-OG 3.25Å; T719-S721 VanDerWaalsContact C-N 3.34Å; T719-S721 PolarHBondContact O-N 3.43Å; S721-I724 PolarHBondContact O-N 3.11Å; S721-Q725 WeakPolarHBondContact O-CB 3.46Å; S721-Q725 PolarHBondContact O-N 3.16Å
722	Q	97.2	Very high	96.2	Very high	62 Å²	62	48.4 Å²	48.4	29%	0.29	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-39.7	174.8	-74.8	167.3	-25.2	0	0	112.3	T719 T720 Q725 A726	T719-Q722 PolarHBondContact O-N 2.97Å; T719-Q722 WeakPolarHBondContact OG1-CB 3.28Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.48Å; T719-Q722 PolarHBondContact OG1-N 2.96Å; T719-Q722 PolarHBondContact OG1-OE1 3.45Å; T720-Q722 PolarHBondContact O-N 2.86Å; Q722-Q725 PolarHBondContact O-N 2.89Å; Q722-A726 WeakPolarHBondContact O-CB 3.41Å; Q722-A726 PolarHBondContact O-N 3.28Å
723	A	97.6	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-43.8	175.5	0	0	0	0	0	111.6	H700 A702 T719 T720 A726 G727 L737	H700-A723 HydrophobicContact CB-CB 4.15Å; H700-A723 WeakPolarHBondContact ND1-CB 3.38Å; A702-A723 HydrophobicContact CB-CB 4.07Å; T719-A723 PolarHBondContact O-N 2.82Å; T720-A723 PolarHBondContact O-N 2.81Å; A723-A726 PolarHBondContact O-N 3.13Å; A723-G727 PolarHBondContact O-N 3.43Å; A723-L737 HydrophobicContact CB-CD2 4Å
724	I	98	Very high	96.5	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-45	174.9	-66.2	167.2	0	0	0	110.6	T720 S721 A726 G727 R728 L737 I750 K754 V757	T720-I724 HydrophobicContact CG2-CD1 4.04Å; T720-I724 WeakPolarHBondContact O-CG1 3.48Å; T720-I724 PolarHBondContact O-N 3.28Å; S721-I724 PolarHBondContact O-N 3.11Å; I724-A726 VanDerWaalsContact C-N 3.33Å; I724-A726 PolarHBondContact O-N 2.93Å; I724-G727 PolarHBondContact O-N 2.92Å; I724-R728 WeakPolarHBondContact O-CG 3.26Å; I724-R728 PolarHBondContact O-N 2.88Å; I724-L737 HydrophobicContact CD1-CD1 4.48Å; I724-L737 HydrophobicContact CG1-CD1 4.47Å; I724-L737 HydrophobicContact CG1-CD2 4.15Å; I724-I750 HydrophobicContact CD1-CD1 4.07Å; I724-K754 HydrophobicContact CD1-CD 4.14Å; I724-V757 HydrophobicContact CD1-CG1 4.17Å; I724-V757 HydrophobicContact CD1-CG2 4.4Å; I724-V757 HydrophobicContact CG1-CG1 4.08Å; I724-V757 HydrophobicContact CG1-CG2 4.11Å; I724-V757 HydrophobicContact CG2-CG2 4.03Å
725	Q	97.9	Very high	96.8	Very high	89 Å²	89	38 Å²	38	42%	0.416	20%	0.202	S	C	.	.	H	α-helix	trans	-63	-40.6	179.3	-170.2	59.6	46.9	0	0	111.6	S721 Q722 G727 R728 D729	S721-Q725 WeakPolarHBondContact O-CB 3.46Å; S721-Q725 PolarHBondContact O-N 3.16Å; Q722-Q725 PolarHBondContact O-N 2.89Å; Q725-G727 VanDerWaalsContact C-N 3.29Å; Q725-G727 PolarHBondContact O-N 2.97Å; Q725-R728 PolarHBondContact O-N 2.98Å; Q725-R728 VanDerWaalsContact O-N 3.17Å; Q725-D729 PolarHBondContact NE2-OD1 3.37Å; Q725-D729 WeakPolarHBondContact O-CB 3.48Å; Q725-D729 PolarHBondContact O-N 2.78Å
726	A	98.1	Very high	97.1	Very high	6 Å²	6	35.8 Å²	35.8	5%	0.05	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-40.9	175	0	0	0	0	0	112	V689 Q722 A723 I724 D729 M730	V689-A726 HydrophobicContact CG2-CB 4.23Å; Q722-A726 WeakPolarHBondContact O-CB 3.41Å; Q722-A726 PolarHBondContact O-N 3.28Å; A723-A726 PolarHBondContact O-N 3.13Å; I724-A726 VanDerWaalsContact C-N 3.33Å; I724-A726 PolarHBondContact O-N 2.93Å; A726-D729 PolarHBondContact O-N 2.64Å; A726-M730 HydrophobicContact CB-CE 4.47Å; A726-M730 WeakPolarHBondContact O-CB 3.48Å; A726-M730 VanDerWaalsContact O-CG 3.26Å; A726-M730 WeakPolarHBondContact O-CG 3.49Å; A726-M730 PolarHBondContact O-N 2.83Å
727	G	98.3	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-38.5	175	0	0	0	0	0	113.9	A723 I724 Q725 M730 N731 A732	A723-G727 PolarHBondContact O-N 3.43Å; I724-G727 PolarHBondContact O-N 2.92Å; Q725-G727 VanDerWaalsContact C-N 3.29Å; Q725-G727 PolarHBondContact O-N 2.97Å; G727-M730 WeakPolarHBondContact O-CB 3.48Å; G727-M730 PolarHBondContact O-N 2.79Å; G727-N731 PolarHBondContact O-N 2.88Å; G727-A732 WeakPolarHBondContact O-CB 3.46Å; G727-A732 PolarHBondContact O-N 2.93Å
728	R	98.2	Very high	97.4	Very high	112 Å²	112	29.3 Å²	29.3	42%	0.423	16%	0.155	S	C	.	.	H	α-helix	trans	-67.6	-41.8	175.1	-69.9	174.3	176.5	174.4	-3.2	112.1	I724 Q725 M730 N731 I735 D756	I724-R728 WeakPolarHBondContact O-CG 3.26Å; I724-R728 PolarHBondContact O-N 2.88Å; Q725-R728 PolarHBondContact O-N 2.98Å; Q725-R728 VanDerWaalsContact O-N 3.17Å; R728-M730 VanDerWaalsContact C-N 3.25Å; R728-M730 PolarHBondContact O-N 3.05Å; R728-N731 WeakPolarHBondContact O-CA 3.2Å; R728-N731 PolarHBondContact O-N 2.86Å; R728-I735 HydrophobicContact CG-CD1 4.42Å; R728-D756 IonicContact NE-OD2 3.78Å
729	D	98.4	Very high	97.4	Very high	91 Å²	91	29.2 Å²	29.2	49%	0.487	16%	0.155	S	C	.	.	H	α-helix	trans	-66.3	-30.5	175.9	-63.2	-18.6	0	0	0	111.5	V689 Q725 A726 N731	V689-D729 HydrophobicContact CG1-CB 3.57Å; V689-D729 HydrophobicContact CG2-CB 4.34Å; Q725-D729 PolarHBondContact NE2-OD1 3.37Å; Q725-D729 WeakPolarHBondContact O-CB 3.48Å; Q725-D729 PolarHBondContact O-N 2.78Å; A726-D729 PolarHBondContact O-N 2.64Å; D729-N731 PolarHBondContact O-N 2.94Å
730	M	97.4	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.8	169.5	-76.2	178.7	-150.1	0	0	112.7	V677 L688 V689 K693 N694 L698 A726 G727 R728 A732	V677-M730 HydrophobicContact CG1-SD 4.44Å; L688-M730 HydrophobicContact CD1-CE 4.45Å; L688-M730 HydrophobicContact CD2-CE 4.21Å; L688-M730 HydrophobicContact CG-CE 3.67Å; V689-M730 HydrophobicContact CB-CE 4.48Å; V689-M730 HydrophobicContact CB-CG 4.16Å; V689-M730 HydrophobicContact CG1-CG 4.09Å; V689-M730 HydrophobicContact CG2-CE 3.99Å; V689-M730 HydrophobicContact CG2-CG 4.27Å; V689-M730 WeakPolarHBondContact O-CG 3.33Å; K693-M730 CarbonylContact C-O 3.59Å; K693-M730 VanDerWaalsContact CA-O 3.31Å; K693-M730 WeakPolarHBondContact CA-O 3.37Å; N694-M730 PolarHBondContact N-O 3.28Å; L698-M730 HydrophobicContact CD1-CE 4.22Å; L698-M730 HydrophobicContact CD1-SD 4.06Å; L698-M730 HydrophobicContact CD2-CE 4.28Å; L698-M730 HydrophobicContact CD2-SD 4.02Å; A726-M730 HydrophobicContact CB-CE 4.47Å; A726-M730 WeakPolarHBondContact O-CB 3.48Å; A726-M730 VanDerWaalsContact O-CG 3.26Å; A726-M730 WeakPolarHBondContact O-CG 3.49Å; A726-M730 PolarHBondContact O-N 2.83Å; G727-M730 WeakPolarHBondContact O-CB 3.48Å; G727-M730 PolarHBondContact O-N 2.79Å; R728-M730 VanDerWaalsContact C-N 3.25Å; R728-M730 PolarHBondContact O-N 3.05Å; M730-A732 HydrophobicContact CB-CB 4.36Å; M730-A732 PolarHBondContact O-N 3.37Å
731	N	97.3	Very high	97.2	Very high	106 Å²	106	29.8 Å²	29.8	57%	0.567	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	44.6	-163.3	-171	50.6	0	0	0	111	N694 G727 R728 D729	N694-N731 WeakPolarHBondContact CA-O 3.44Å; N694-N731 PolarHBondContact OD1-ND2 2.79Å; G727-N731 PolarHBondContact O-N 2.88Å; R728-N731 WeakPolarHBondContact O-CA 3.2Å; R728-N731 PolarHBondContact O-N 2.86Å; D729-N731 PolarHBondContact O-N 2.94Å
732	A	97.6	Very high	96.8	Very high	12 Å²	12	29.4 Å²	29.4	10%	0.099	15%	0.151	C	C	.	.			trans	-67.3	135.8	175.2	0	0	0	0	0	109.9	C695 L698 G727 M730 F734 I735	C695-A732 WeakPolarHBondContact O-CA 3.32Å; C695-A732 VanDerWaalsContact SG-CB 3.52Å; L698-A732 HydrophobicContact CB-CB 4.05Å; G727-A732 WeakPolarHBondContact O-CB 3.46Å; G727-A732 PolarHBondContact O-N 2.93Å; M730-A732 HydrophobicContact CB-CB 4.36Å; M730-A732 PolarHBondContact O-N 3.37Å; A732-F734 PolarHBondContact O-N 2.96Å; A732-I735 HydrophobicContact CB-CG1 4.41Å
733	S	95.3	Very high	96.3	Very high	62 Å²	62	30.2 Å²	30.2	43%	0.434	15%	0.151	S	C	.	.	S	Bend	trans	-64.6	-29.3	177.9	-56.8	0	0	0	0	112.2	C695 D696	C695-S733 PolarHBondContact O-N 2.76Å; D696-S733 WeakPolarHBondContact O-CB 3.32Å
734	F	97.1	Very high	95.8	Very high	4 Å²	4	31 Å²	31	2%	0.018	15%	0.154	C	C	.	.			trans	-153.3	148.4	177.6	-158.4	-93.8	0	0	0	112.1	D696 L697 L698 A732 A758 L771 L774 P775	D696-F734 PolarHBondContact O-N 3.47Å; L697-F734 HydrophobicContact CD1-CB 4.31Å; L697-F734 HydrophobicContact CD1-CD1 3.91Å; L698-F734 PolarHBondContact N-O 3.43Å; A732-F734 PolarHBondContact O-N 2.96Å; F734-A758 HydrophobicContact CE1-CB 3.83Å; F734-A758 HydrophobicContact CZ-CB 3.79Å; F734-L771 HydrophobicContact CB-CB 4.48Å; F734-L771 HydrophobicContact CB-CD1 3.97Å; F734-L771 HydrophobicContact CD1-CB 3.98Å; F734-L771 HydrophobicContact CD1-CD1 4.2Å; F734-L771 HydrophobicContact CD1-CD2 3.9Å; F734-L771 HydrophobicContact CD1-CG 4.24Å; F734-L771 HydrophobicContact CD2-CB 3.93Å; F734-L771 HydrophobicContact CE1-CB 4.18Å; F734-L771 HydrophobicContact CE1-CD2 4.1Å; F734-L771 HydrophobicContact CE2-CB 4.13Å; F734-L771 WeakPolarHBondContact CE2-O 3.46Å; F734-L771 HydrophobicContact CG-CB 3.85Å; F734-L771 HydrophobicContact CG-CD1 4.1Å; F734-L771 HydrophobicContact CG-CG 4.38Å; F734-L771 HydrophobicContact CZ-CB 4.26Å; F734-L771 WeakPolarHBondContact CZ-O 3.45Å; F734-L774 HydrophobicContact CE1-CD1 4.41Å; F734-L774 HydrophobicContact CZ-CB 4.34Å; F734-P775 HydrophobicContact CE2-CG 3.62Å; F734-P775 HydrophobicContact CZ-CG 3.7Å
735	I	98.5	Very high	95.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.3	-177.9	-53.8	167.2	0	0	0	109.2	L698 R728 A732 L737 D756 V757 A758	L698-I735 HydrophobicContact CD2-CG2 4.37Å; L698-I735 CarbonylContact O-C 3.6Å; L698-I735 WeakPolarHBondContact O-CA 3.32Å; R728-I735 HydrophobicContact CG-CD1 4.42Å; A732-I735 HydrophobicContact CB-CG1 4.41Å; I735-L737 HydrophobicContact CG2-CD2 4.11Å; I735-D756 PolarHBondContact N-O 3.41Å; I735-V757 HydrophobicContact CB-CG2 4.31Å; I735-V757 HydrophobicContact CD1-CG2 4.28Å; I735-V757 CarbonylContact O-C 3.59Å; I735-V757 WeakPolarHBondContact O-CA 3.48Å; I735-A758 PolarHBondContact O-N 2.79Å
736	L	98.4	Very high	94.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.9	173.8	-168.7	69.1	0	0	0	109.8	F470 L697 L698 I699 H700 A758 M764	F470-L736 HydrophobicContact CE1-CD2 4.01Å; F470-L736 HydrophobicContact CE2-CD2 3.52Å; F470-L736 HydrophobicContact CZ-CD2 3.16Å; F470-L736 HydrophobicContact CZ-CG 4.37Å; L697-L736 HydrophobicContact CD1-CB 4.05Å; L698-L736 PolarHBondContact O-N 3.42Å; I699-L736 CarbonylContact C-O 3.56Å; I699-L736 WeakPolarHBondContact CA-O 3.48Å; H700-L736 PolarHBondContact N-O 3.19Å; L736-A758 HydrophobicContact CD1-CB 3.76Å; L736-M764 HydrophobicContact CD1-CE 4.25Å
737	L	98.4	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	137.2	179.2	-54.6	174.8	0	0	0	109.9	H700 A702 T720 A723 I724 I735 F740 I750 V757 A758 S760	H700-L737 WeakPolarHBondContact O-CA 3.35Å; A702-L737 HydrophobicContact CB-CB 4.05Å; A702-L737 HydrophobicContact CB-CD2 3.94Å; A702-L737 HydrophobicContact CB-CG 4.44Å; T720-L737 HydrophobicContact CG2-CD1 3.84Å; A723-L737 HydrophobicContact CB-CD2 4Å; I724-L737 HydrophobicContact CD1-CD1 4.48Å; I724-L737 HydrophobicContact CG1-CD1 4.47Å; I724-L737 HydrophobicContact CG1-CD2 4.15Å; I735-L737 HydrophobicContact CG2-CD2 4.11Å; L737-F740 VanDerWaalsContact C-CZ 3.49Å; L737-F740 HydrophobicContact CB-CE1 3.86Å; L737-F740 HydrophobicContact CB-CZ 3.9Å; L737-F740 WeakPolarHBondContact O-CZ 3.28Å; L737-I750 HydrophobicContact CD1-CD1 4.2Å; L737-I750 HydrophobicContact CD1-CG2 4.17Å; L737-V757 HydrophobicContact CD1-CG1 3.8Å; L737-V757 HydrophobicContact CG-CG1 3.97Å; L737-A758 PolarHBondContact N-O 3.47Å; L737-S760 PolarHBondContact O-N 3.06Å; L737-S760 PolarHBondContact O-OG 3Å; L737-S760 VanDerWaalsContact O-OG 3.11Å
738	N	97.5	Very high	93.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	175.7	-178.1	-169.9	50	0	0	0	112.1	T473 I699 H700 E701 A702 S760	T473-N738 WeakPolarHBondContact CG2-OD1 3.44Å; I699-N738 HydrophobicContact CG2-CB 4.01Å; H700-N738 PolarHBondContact O-N 3.12Å; E701-N738 CarbonylContact C-O 3.58Å; E701-N738 WeakPolarHBondContact CA-O 3.48Å; E701-N738 WeakPolarHBondContact OE1-CB 3.34Å; E701-N738 PolarHBondContact OE1-ND2 3.06Å; A702-N738 PolarHBondContact N-O 3.34Å; N738-S760 WeakPolarHBondContact CA-OG 3.45Å; N738-S760 PolarHBondContact OD1-OG 3.25Å
739	H	96.3	Very high	93.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.			trans	56.2	64.3	172.6	-166.3	-87.5	0	0	0	114.3	T473 S475 D536 H537 D681 E701 T703	T473-H739 CarbonylContact O-C 3.6Å; T473-H739 WeakPolarHBondContact O-CA 3.26Å; T473-H739 PolarHBondContact O-N 3.35Å; S475-H739 VanDerWaalsContact CB-CE1 3.46Å; S475-H739 WeakPolarHBondContact CB-CE1 3.36Å; S475-H739 WeakPolarHBondContact CB-ND1 3.12Å; S475-H739 PolarHBondContact OG-CE1 2.89Å; S475-H739 PolarHBondContact OG-ND1 3Å; D536-H739 IonicContact OD2-CE1 3.09Å; D536-H739 IonicContact OD2-NE2 2.81Å; D536-H739 PolarHBondContact OD2-NE2 3.43Å; H537-H739 AromaticContact CE1-CD2 3.53Å; H537-H739 AromaticContact CE1-NE2 3.21Å; H537-H739 PolarHBondContact CE1-NE2 3.31Å; H537-H739 AromaticContact NE2-CD2 3.72Å; H537-H739 AromaticContact NE2-CE1 3.81Å; H537-H739 AromaticContact NE2-NE2 2.92Å; H537-H739 PolarHBondContact NE2-NE2 3.5Å; D681-H739 IonicContact OD1-CE1 3.74Å; D681-H739 PolarHBondContact OD1-CE1 3.28Å; D681-H739 IonicContact OD1-CG 3.9Å; D681-H739 IonicContact OD1-ND1 3.95Å; D681-H739 PolarHBondContact OD1-ND1 3.19Å; D681-H739 IonicContact OD1-NE2 3.43Å; D681-H739 IonicContact OD2-CE1 3.55Å; D681-H739 PolarHBondContact OD2-CE1 3.43Å; D681-H739 IonicContact OD2-NE2 3.95Å; E701-H739 HydrophobicContact CB-CB 3.95Å; E701-H739 HydrophobicContact CG-CB 4.07Å; E701-H739 WeakPolarHBondContact OE1-CB 3.48Å; E701-H739 WeakPolarHBondContact OE2-CB 3.37Å; E701-H739 IonicContact OE2-CD2 3.43Å; E701-H739 PolarHBondContact OE2-CD2 2.72Å; E701-H739 IonicContact OE2-CG 3.81Å; E701-H739 IonicContact OE2-NE2 3.21Å; T703-H739 WeakPolarHBondContact CA-O 3.46Å
740	F	94.9	Very high	92.6	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-88.6	143.8	-174.9	-53.5	-66.3	0	0	0	111.9	T473 S475 R482 A702 L737 P748 P749 A759 S760	T473-F740 PolarHBondContact O-N 3.03Å; S475-F740 WeakPolarHBondContact CB-O 3.48Å; S475-F740 PolarHBondContact N-O 2.96Å; R482-F740 VanDerWaalsContact NH1-CB 3.32Å; R482-F740 PolarHBondContact NH2-O 3.26Å; R482-F740 VanDerWaalsContact NH2-O 3.13Å; A702-F740 HydrophobicContact CB-CE1 4.36Å; A702-F740 WeakPolarHBondContact O-CD1 3.48Å; L737-F740 VanDerWaalsContact C-CZ 3.49Å; L737-F740 HydrophobicContact CB-CE1 3.86Å; L737-F740 HydrophobicContact CB-CZ 3.9Å; L737-F740 WeakPolarHBondContact O-CZ 3.28Å; F740-P748 HydrophobicContact CZ-CB 4.26Å; F740-P749 HydrophobicContact CD1-CG 3.61Å; F740-P749 HydrophobicContact CE1-CG 3.93Å; F740-A759 HydrophobicContact CZ-CB 3.93Å; F740-S760 WeakPolarHBondContact CE2-O 3.37Å
741	S	93.1	Very high	92.1	Very high	19 Å²	19	21.9 Å²	21.9	13%	0.133	12%	0.118	C	C	.	.			trans	-56.8	145.5	173.1	-178.7	0	0	0	0	112.1	R482 T703 R743 Y744	R482-S741 PolarHBondContact NH2-O 3.06Å; T703-S741 WeakPolarHBondContact O-CA 3.49Å; T703-S741 WeakPolarHBondContact O-CB 3.41Å; T703-S741 PolarHBondContact O-N 3.39Å; S741-R743 PolarHBondContact O-N 3.08Å; S741-R743 PolarHBondContact OG-NE 3.28Å; S741-Y744 WeakPolarHBondContact O-CD2 3.44Å; S741-Y744 PolarHBondContact O-N 2.89Å
742	Q	86.5	Confident	91.8	Very high	47 Å²	47	22.7 Å²	22.7	22%	0.22	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-60.2	-16.2	178	-59.3	-46.6	-48.6	0	0	114.5	S475 S477 N479 Y744 G745	S475-Q742 PolarHBondContact O-NE2 2.89Å; S477-Q742 PolarHBondContact O-NE2 2.87Å; S477-Q742 PolarHBondContact O-OE1 3.27Å; S477-Q742 WeakPolarHBondContact OG-CG 3.35Å; N479-Q742 VanDerWaalsContact CB-OE1 3.26Å; N479-Q742 VanDerWaalsContact CG-OE1 3.31Å; N479-Q742 PolarHBondContact ND2-OE1 3.49Å; Q742-Y744 PolarHBondContact O-N 3.18Å; Q742-G745 PolarHBondContact O-N 3.12Å
743	R	88	Confident	91.7	Very high	78 Å²	78	25.9 Å²	25.9	29%	0.294	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.4	-178.3	67.8	-172.6	58.9	-122.4	-0.1	113.9	S741	S741-R743 PolarHBondContact O-N 3.08Å; S741-R743 PolarHBondContact OG-NE 3.28Å
744	Y	86.2	Confident	91.6	Very high	16 Å²	16	24.6 Å²	24.6	6%	0.063	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-86.3	-11.1	-173.9	-55.4	-70.4	0	0	0	114.4	N705 S741 Q742 R746 V747 P749 A792	N705-Y744 HydrophobicContact CB-CE1 4.48Å; N705-Y744 WeakPolarHBondContact CB-OH 3.42Å; N705-Y744 PolarHBondContact N-OH 2.96Å; S741-Y744 WeakPolarHBondContact O-CD2 3.44Å; S741-Y744 PolarHBondContact O-N 2.89Å; Q742-Y744 PolarHBondContact O-N 3.18Å; Y744-R746 PolarHBondContact O-N 3.22Å; Y744-V747 WeakPolarHBondContact CB-O 3.39Å; Y744-V747 PolarHBondContact O-N 2.89Å; Y744-P749 HydrophobicContact CD1-CB 4.24Å; Y744-P749 HydrophobicContact CD2-CB 4.25Å; Y744-P749 HydrophobicContact CD2-CG 4.48Å; Y744-P749 HydrophobicContact CE1-CB 3.89Å; Y744-P749 HydrophobicContact CE2-CB 3.89Å; Y744-P749 HydrophobicContact CE2-CG 4.29Å; Y744-P749 HydrophobicContact CG-CB 4.44Å; Y744-A792 HydrophobicContact CD1-CB 4.34Å
745	G	84	Confident	91.4	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-106.3	178.7	0	0	0	0	0	112.4	Q742	Q742-G745 PolarHBondContact O-N 3.12Å
746	R	89.2	Confident	91.2	Very high	13 Å²	13	30.1 Å²	30.1	5%	0.049	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-19.1	-178.1	-65.2	-167.5	169.8	180	-11.7	114.7	S351 Y481 Y744 F761 F785 H788	S351-R746 PolarHBondContact OG-NH2 3.13Å; S351-R746 VanDerWaalsContact OG-NH2 3.07Å; Y481-R746 HydrophobicContact CD1-CG 4.07Å; Y481-R746 HydrophobicContact CD2-CG 3.34Å; Y481-R746 HydrophobicContact CE1-CG 4.33Å; Y481-R746 HydrophobicContact CE2-CG 3.62Å; Y481-R746 HydrophobicContact CG-CG 3.57Å; Y481-R746 VanDerWaalsContact CZ-NE 3.26Å; Y744-R746 PolarHBondContact O-N 3.22Å; R746-F761 VanDerWaalsContact O-CE1 3.26Å; R746-F761 WeakPolarHBondContact O-CE1 2.92Å; R746-F785 HydrophobicContact CB-CB 4.2Å; R746-F785 HydrophobicContact CB-CD1 4.1Å; R746-F785 HydrophobicContact CB-CD2 4.22Å; R746-F785 HydrophobicContact CB-CG 3.9Å; R746-F785 VanDerWaalsContact CD-CD1 3.5Å; R746-F785 HydrophobicContact CG-CD1 4.46Å; R746-H788 HydrophobicContact CB-CB 4.3Å
747	V	87.9	Confident	91.2	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	15%	0.154	C	C	.	.	S	Bend	trans	-101.6	136.3	-170.1	-161	0	0	0	0	109.2	Y744 F785 H788 W789	Y744-V747 WeakPolarHBondContact CB-O 3.39Å; Y744-V747 PolarHBondContact O-N 2.89Å; V747-F785 HydrophobicContact CG2-CB 3.64Å; V747-H788 HydrophobicContact CG2-CB 3.89Å; V747-W789 HydrophobicContact CB-CE3 4.21Å; V747-W789 HydrophobicContact CG1-CE3 3.59Å; V747-W789 HydrophobicContact CG1-CZ3 4.05Å; V747-W789 HydrophobicContact CG2-CB 4.22Å
748	P	87.5	Confident	91.1	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.026	15%	0.154	C	C	.	.			trans	-67.4	156.6	170	29.4	-35.8	0	0	0	110.5	F740 I750 A759 F761 Y781	F740-P748 HydrophobicContact CZ-CB 4.26Å; P748-I750 HydrophobicContact CB-CG2 4.21Å; P748-I750 HydrophobicContact CG-CG2 4.4Å; P748-I750 PolarHBondContact O-N 3.32Å; P748-A759 HydrophobicContact CB-CB 3.43Å; P748-A759 VanDerWaalsContact CB-CB 3.43Å; P748-A759 HydrophobicContact CG-CB 3.75Å; P748-F761 HydrophobicContact CG-CE2 4.32Å; P748-F761 HydrophobicContact CG-CZ 4.16Å; P748-Y781 HydrophobicContact CG-CD2 3.89Å; P748-Y781 HydrophobicContact CG-CE2 4.43Å
749	P	85.7	Confident	91.1	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.032	15%	0.154	C	C	.	.	S	Bend	trans	-75	35.8	178.9	32.1	-35.9	0	0	0	113.5	N705 T720 F740 Y744	N705-P749 HydrophobicContact CB-CB 3.87Å; T720-P749 WeakPolarHBondContact OG1-CG 3.49Å; F740-P749 HydrophobicContact CD1-CG 3.61Å; F740-P749 HydrophobicContact CE1-CG 3.93Å; Y744-P749 HydrophobicContact CD1-CB 4.24Å; Y744-P749 HydrophobicContact CD2-CB 4.25Å; Y744-P749 HydrophobicContact CD2-CG 4.48Å; Y744-P749 HydrophobicContact CE1-CB 3.89Å; Y744-P749 HydrophobicContact CE2-CB 3.89Å; Y744-P749 HydrophobicContact CE2-CG 4.29Å; Y744-P749 HydrophobicContact CG-CB 4.44Å
750	I	88.9	Confident	91.2	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.046	16%	0.155	C	C	.	.			trans	-149.8	136.2	179.8	-172.7	176.8	0	0	0	109.4	T720 I724 L737 P748 K754 V757 A759 I778	T720-I750 HydrophobicContact CG2-CB 4.36Å; I724-I750 HydrophobicContact CD1-CD1 4.07Å; L737-I750 HydrophobicContact CD1-CD1 4.2Å; L737-I750 HydrophobicContact CD1-CG2 4.17Å; P748-I750 HydrophobicContact CB-CG2 4.21Å; P748-I750 HydrophobicContact CG-CG2 4.4Å; P748-I750 PolarHBondContact O-N 3.32Å; I750-K754 HydrophobicContact CD1-CD 4.5Å; I750-V757 HydrophobicContact CD1-CG1 3.9Å; I750-A759 HydrophobicContact CG2-CB 4.22Å; I750-I778 HydrophobicContact CB-CG2 4.44Å; I750-I778 HydrophobicContact CD1-CG2 4.39Å; I750-I778 HydrophobicContact CG1-CG2 3.95Å; I750-I778 HydrophobicContact CG2-CD1 3.77Å; I750-I778 HydrophobicContact CG2-CG2 4.08Å
751	D	86.1	Confident	91.3	Very high	69 Å²	69	30.4 Å²	30.4	37%	0.369	16%	0.155	S	C	.	.			trans	-131.3	-16.2	179.3	59.5	-17.1	0	0	0	113.5	P779 W789	D751-P779 WeakPolarHBondContact O-CA 3.44Å; D751-P779 WeakPolarHBondContact O-CB 3.34Å; D751-W789 HydrophobicContact CB-CH2 3.38Å; D751-W789 HydrophobicContact CB-CZ2 3.73Å; D751-W789 HydrophobicContact CB-CZ3 4.18Å; D751-W789 VanDerWaalsContact CG-CH2 3.47Å; D751-W789 WeakPolarHBondContact OD2-CH2 3.37Å; D751-W789 WeakPolarHBondContact OD2-CZ2 3.46Å
752	E	91.5	Very high	91.5	Very high	124 Å²	124	29.5 Å²	29.5	58%	0.579	15%	0.149	S	C	*	.	S	Bend	trans	-84.5	129.9	178.8	-167.9	-168.4	167.1	0	0	111.7	K754	E752-K754 PolarHBondContact O-N 2.67Å; E752-K754 IonicContact OE1-NZ 3Å; E752-K754 IonicContact OE2-NZ 2.81Å; E752-K754 PolarHBondContact OE2-NZ 3.35Å
753	F	94.2	Very high	92	Very high	78 Å²	78	27.4 Å²	27.4	34%	0.342	14%	0.139	S	C	.	.			trans	-60.3	128.7	172.7	174.1	-95.8	0	0	0	111.2	P775 Y776 P779	F753-P775 HydrophobicContact CD2-CB 4.12Å; F753-P775 WeakPolarHBondContact CD2-O 3.48Å; F753-P775 HydrophobicContact CE2-CB 3.78Å; F753-Y776 HydrophobicContact CD2-CD1 4.14Å; F753-Y776 HydrophobicContact CD2-CG 4.43Å; F753-Y776 AromaticContact CE2-CD1 3.48Å; F753-Y776 HydrophobicContact CE2-CD1 3.48Å; F753-Y776 VanDerWaalsContact CE2-CD1 3.48Å; F753-Y776 HydrophobicContact CE2-CD2 4.03Å; F753-Y776 AromaticContact CE2-CE1 3.56Å; F753-Y776 HydrophobicContact CE2-CE1 3.56Å; F753-Y776 HydrophobicContact CE2-CE2 4.12Å; F753-Y776 AromaticContact CE2-CG 3.73Å; F753-Y776 HydrophobicContact CE2-CG 3.73Å; F753-Y776 AromaticContact CE2-CZ 3.89Å; F753-Y776 HydrophobicContact CZ-CD1 4.13Å; F753-Y776 AromaticContact CZ-CE1 3.7Å; F753-Y776 HydrophobicContact CZ-CE1 3.7Å; F753-Y776 HydrophobicContact CZ-CE2 4.34Å; F753-Y776 AromaticContact CZ-CZ 3.83Å; F753-P779 HydrophobicContact CB-CG 3.79Å
754	K	95	Very high	92.5	Very high	36 Å²	36	23.7 Å²	23.7	16%	0.157	13%	0.125	C	C	.	.			trans	-138.9	119.4	171	-71.1	171.1	177.9	50.7	0	107.6	I724 I750 E752 D756 V757 P775	I724-K754 HydrophobicContact CD1-CD 4.14Å; I750-K754 HydrophobicContact CD1-CD 4.5Å; E752-K754 PolarHBondContact O-N 2.67Å; E752-K754 IonicContact OE1-NZ 3Å; E752-K754 IonicContact OE2-NZ 2.81Å; E752-K754 PolarHBondContact OE2-NZ 3.35Å; K754-D756 PolarHBondContact O-N 3.47Å; K754-V757 HydrophobicContact CB-CB 3.94Å; K754-V757 HydrophobicContact CB-CG2 3.85Å; K754-V757 HydrophobicContact CD-CG2 4.14Å; K754-V757 PolarHBondContact O-N 2.58Å; K754-P775 WeakPolarHBondContact O-CB 3.38Å
755	S	92.4	Very high	93.1	Very high	87 Å²	87	23.6 Å²	23.6	61%	0.608	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-17.8	-168.9	52.9	0	0	0	0	115.7	P775	S755-P775 WeakPolarHBondContact O-CG 3.35Å
756	D	94.3	Very high	93.8	Very high	33 Å²	33	23.1 Å²	23.1	18%	0.176	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-0.5	-177.1	59.4	-31.2	0	0	0	113.9	R728 I735 K754	R728-D756 IonicContact NE-OD2 3.78Å; I735-D756 PolarHBondContact N-O 3.41Å; K754-D756 PolarHBondContact O-N 3.47Å
757	V	97.7	Very high	94.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.3	-172.2	-173.3	0	0	0	0	112.3	I724 I735 L737 I750 K754 P775	I724-V757 HydrophobicContact CD1-CG1 4.17Å; I724-V757 HydrophobicContact CD1-CG2 4.4Å; I724-V757 HydrophobicContact CG1-CG1 4.08Å; I724-V757 HydrophobicContact CG1-CG2 4.11Å; I724-V757 HydrophobicContact CG2-CG2 4.03Å; I735-V757 HydrophobicContact CB-CG2 4.31Å; I735-V757 HydrophobicContact CD1-CG2 4.28Å; I735-V757 CarbonylContact O-C 3.59Å; I735-V757 WeakPolarHBondContact O-CA 3.48Å; L737-V757 HydrophobicContact CD1-CG1 3.8Å; L737-V757 HydrophobicContact CG-CG1 3.97Å; I750-V757 HydrophobicContact CD1-CG1 3.9Å; K754-V757 HydrophobicContact CB-CB 3.94Å; K754-V757 HydrophobicContact CB-CG2 3.85Å; K754-V757 HydrophobicContact CD-CG2 4.14Å; K754-V757 PolarHBondContact O-N 2.58Å; V757-P775 WeakPolarHBondContact O-CA 3.22Å; V757-P775 WeakPolarHBondContact O-CB 3.23Å; V757-P775 WeakPolarHBondContact O-CG 3.49Å
758	A	97.1	Very high	94.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	173.9	166.7	0	0	0	0	0	112.1	F734 I735 L736 L737 L774	F734-A758 HydrophobicContact CE1-CB 3.83Å; F734-A758 HydrophobicContact CZ-CB 3.79Å; I735-A758 PolarHBondContact O-N 2.79Å; L736-A758 HydrophobicContact CD1-CB 3.76Å; L737-A758 PolarHBondContact N-O 3.47Å; A758-L774 HydrophobicContact CB-CB 3.46Å; A758-L774 VanDerWaalsContact CB-CB 3.46Å; A758-L774 HydrophobicContact CB-CD1 4.19Å; A758-L774 HydrophobicContact CB-CG 4.48Å
759	A	96.9	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.2	177.8	0	0	0	0	0	110.5	F740 P748 I750 I778	F740-A759 HydrophobicContact CZ-CB 3.93Å; P748-A759 HydrophobicContact CB-CB 3.43Å; P748-A759 VanDerWaalsContact CB-CB 3.43Å; P748-A759 HydrophobicContact CG-CB 3.75Å; I750-A759 HydrophobicContact CG2-CB 4.22Å; A759-I778 HydrophobicContact CB-CD1 3.77Å
760	S	97.2	Very high	95.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	15%	0.152	C	C	.	.			trans	-76.1	154.7	176.7	67.1	0	0	0	0	112	T473 L737 N738 F740	T473-S760 VanDerWaalsContact CG2-OG 3.31Å; T473-S760 WeakPolarHBondContact CG2-OG 3.46Å; L737-S760 PolarHBondContact O-N 3.06Å; L737-S760 PolarHBondContact O-OG 3Å; L737-S760 VanDerWaalsContact O-OG 3.11Å; N738-S760 WeakPolarHBondContact CA-OG 3.45Å; N738-S760 PolarHBondContact OD1-OG 3.25Å; F740-S760 WeakPolarHBondContact CE2-O 3.37Å
761	F	97.5	Very high	95.4	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.013	15%	0.15	C	C	.	.			trans	-132.2	155.6	166.4	-74.8	-103.6	0	0	0	108.5	L356 Y365 F470 T473 R746 P748 F763 M764 Y781 F785	L356-F761 HydrophobicContact CD1-CB 4Å; L356-F761 HydrophobicContact CD1-CD1 3.64Å; L356-F761 HydrophobicContact CD1-CE1 4.18Å; L356-F761 HydrophobicContact CD1-CG 3.83Å; L356-F761 HydrophobicContact CD2-CE1 4.33Å; L356-F761 HydrophobicContact CD2-CZ 4.39Å; Y365-F761 HydrophobicContact CE1-CB 4.13Å; Y365-F761 HydrophobicContact CE1-CD2 4.31Å; Y365-F761 HydrophobicContact CE1-CG 4.46Å; F470-F761 WeakPolarHBondContact CB-O 3.46Å; T473-F761 VanDerWaalsContact CG2-C 3.46Å; R746-F761 VanDerWaalsContact O-CE1 3.26Å; R746-F761 WeakPolarHBondContact O-CE1 2.92Å; P748-F761 HydrophobicContact CG-CE2 4.32Å; P748-F761 HydrophobicContact CG-CZ 4.16Å; F761-F763 PolarHBondContact O-N 2.82Å; F761-M764 HydrophobicContact CB-CB 4.47Å; F761-M764 WeakPolarHBondContact O-CB 3.41Å; F761-M764 PolarHBondContact O-N 3.45Å; F761-M764 VanDerWaalsContact O-N 3.08Å; F761-Y781 HydrophobicContact CE2-CD1 4.02Å; F761-Y781 HydrophobicContact CE2-CD2 4.05Å; F761-Y781 AromaticContact CE2-CE1 3.62Å; F761-Y781 HydrophobicContact CE2-CE1 3.62Å; F761-Y781 AromaticContact CE2-CE2 3.66Å; F761-Y781 HydrophobicContact CE2-CE2 3.66Å; F761-Y781 HydrophobicContact CE2-CG 4.23Å; F761-Y781 AromaticContact CE2-CZ 3.43Å; F761-Y781 VanDerWaalsContact CE2-CZ 3.43Å; F761-Y781 AromaticContact CZ-CD1 3.75Å; F761-Y781 HydrophobicContact CZ-CD1 3.75Å; F761-Y781 HydrophobicContact CZ-CD2 4.1Å; F761-Y781 AromaticContact CZ-CE1 3.82Å; F761-Y781 HydrophobicContact CZ-CE1 3.82Å; F761-Y781 HydrophobicContact CZ-CE2 4.17Å; F761-Y781 AromaticContact CZ-CG 3.9Å; F761-Y781 HydrophobicContact CZ-CG 3.9Å; F761-F785 HydrophobicContact CE1-CE2 4.05Å; F761-F785 HydrophobicContact CZ-CE2 4.48Å
762	D	97.4	Very high	95.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	137.2	167.1	-76.6	36.7	0	0	0	110.5	F470 T473 R482 N483 Q508 M764	F470-D762 CarbonylContact O-C 3.6Å; F470-D762 WeakPolarHBondContact O-CA 3.3Å; T473-D762 WeakPolarHBondContact CB-OD1 3.34Å; T473-D762 PolarHBondContact N-OD1 2.9Å; T473-D762 PolarHBondContact OG1-OD1 3.47Å; R482-D762 VanDerWaalsContact CA-OD2 3.27Å; R482-D762 WeakPolarHBondContact CA-OD2 3.22Å; N483-D762 PolarHBondContact N-OD2 3.4Å; Q508-D762 PolarHBondContact NE2-OD2 3.19Å; D762-M764 PolarHBondContact O-N 3.47Å
763	F	98.3	Very high	95.7	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	7.2	-176.6	-44.7	-71.5	0	0	0	115.9	M349 T353 P366 L368 F470 Q508 A511 L512 F761 T765	M349-F763 HydrophobicContact CB-CE2 4.17Å; M349-F763 HydrophobicContact CG-CE2 4.49Å; M349-F763 HydrophobicContact SD-CE2 4.45Å; T353-F763 WeakPolarHBondContact OG1-CD2 3.41Å; P366-F763 WeakPolarHBondContact CD-O 3.1Å; L368-F763 HydrophobicContact CD1-CD2 4.09Å; L368-F763 HydrophobicContact CD1-CE2 3.75Å; L368-F763 HydrophobicContact CD1-CZ 4.02Å; L368-F763 HydrophobicContact CD2-CB 3.94Å; L368-F763 HydrophobicContact CD2-CD1 3.68Å; L368-F763 HydrophobicContact CD2-CD2 3.73Å; L368-F763 HydrophobicContact CD2-CE1 3.99Å; L368-F763 HydrophobicContact CD2-CE2 4.05Å; L368-F763 HydrophobicContact CD2-CG 3.49Å; L368-F763 VanDerWaalsContact CD2-CG 3.49Å; L368-F763 HydrophobicContact CD2-CZ 4.14Å; L368-F763 HydrophobicContact CG-CD2 4.46Å; F470-F763 WeakPolarHBondContact O-CA 3.05Å; F470-F763 PolarHBondContact O-N 3.33Å; Q508-F763 HydrophobicContact CB-CE1 3.97Å; Q508-F763 HydrophobicContact CB-CZ 4.45Å; Q508-F763 VanDerWaalsContact CD-CZ 3.42Å; Q508-F763 WeakPolarHBondContact O-CE1 3.42Å; Q508-F763 VanDerWaalsContact OE1-CZ 3.31Å; A511-F763 HydrophobicContact CB-CE1 4.2Å; A511-F763 HydrophobicContact CB-CZ 4.18Å; L512-F763 HydrophobicContact CB-CD1 3.98Å; L512-F763 HydrophobicContact CB-CE1 4.33Å; L512-F763 HydrophobicContact CD1-CB 4.37Å; L512-F763 HydrophobicContact CD1-CD1 4.42Å; F761-F763 PolarHBondContact O-N 2.82Å; F763-T765 PolarHBondContact O-N 2.96Å
764	M	98.4	Very high	95.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.			trans	-61.8	127.7	169.2	-178.8	166.5	176.2	0	0	109.5	V364 Y365 T469 F470 L736 F761 D762 V766 L774	V364-M764 HydrophobicContact CG1-CE 3.95Å; V364-M764 HydrophobicContact CG1-CG 3.73Å; V364-M764 HydrophobicContact CG1-SD 4.41Å; V364-M764 CarbonylContact O-C 3.55Å; V364-M764 WeakPolarHBondContact O-CA 3.46Å; Y365-M764 HydrophobicContact CD1-CB 4.2Å; Y365-M764 HydrophobicContact CD1-CG 4.42Å; Y365-M764 HydrophobicContact CE1-CB 3.86Å; Y365-M764 HydrophobicContact CE1-CG 3.82Å; Y365-M764 HydrophobicContact CE1-SD 3.92Å; T469-M764 CarbonylContact C-O 3.47Å; T469-M764 VanDerWaalsContact CA-O 3.29Å; T469-M764 WeakPolarHBondContact CA-O 3.47Å; F470-M764 HydrophobicContact CB-CB 4.5Å; F470-M764 HydrophobicContact CD2-CB 4.09Å; F470-M764 HydrophobicContact CD2-CG 4.32Å; F470-M764 WeakPolarHBondContact CD2-O 3.42Å; F470-M764 PolarHBondContact N-O 2.9Å; L736-M764 HydrophobicContact CD1-CE 4.25Å; F761-M764 HydrophobicContact CB-CB 4.47Å; F761-M764 WeakPolarHBondContact O-CB 3.41Å; F761-M764 PolarHBondContact O-N 3.45Å; F761-M764 VanDerWaalsContact O-N 3.08Å; D762-M764 PolarHBondContact O-N 3.47Å; M764-V766 HydrophobicContact CE-CG1 3.47Å; M764-V766 VanDerWaalsContact CE-CG1 3.47Å; M764-V766 HydrophobicContact CG-CG1 3.92Å; M764-L774 HydrophobicContact CE-CD1 3.46Å; M764-L774 VanDerWaalsContact CE-CD1 3.46Å; M764-L774 HydrophobicContact CE-CD2 3.66Å; M764-L774 HydrophobicContact CE-CG 4.11Å
765	T	98.6	Very high	95.8	Very high	15 Å²	15	17.9 Å²	17.9	9%	0.092	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.7	177.4	-63.5	0	0	0	0	109	V364 E467 I468 T469 F763	V364-T765 WeakPolarHBondContact CA-O 3.4Å; V364-T765 PolarHBondContact O-N 3.27Å; E467-T765 HydrophobicContact CG-CG2 3.49Å; E467-T765 VanDerWaalsContact CG-CG2 3.49Å; E467-T765 WeakPolarHBondContact OE1-CG2 2.73Å; I468-T765 CarbonylContact O-C 3.57Å; I468-T765 VanDerWaalsContact O-CA 3.28Å; I468-T765 WeakPolarHBondContact O-CA 3.42Å; T469-T765 WeakPolarHBondContact OG1-CG2 3.47Å; T469-T765 PolarHBondContact OG1-OG1 3.32Å; F763-T765 PolarHBondContact O-N 2.96Å
766	V	97.6	Very high	96	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.1	-172.9	-66.7	0	0	0	0	113.3	V364 I468 F470 M764 D770 L774	V364-V766 HydrophobicContact CG1-CG1 3.8Å; I468-V766 HydrophobicContact CB-CG2 4.12Å; I468-V766 PolarHBondContact N-O 2.98Å; I468-V766 PolarHBondContact O-N 2.93Å; F470-V766 HydrophobicContact CE2-CG2 4.24Å; M764-V766 HydrophobicContact CE-CG1 3.47Å; M764-V766 VanDerWaalsContact CE-CG1 3.47Å; M764-V766 HydrophobicContact CG-CG1 3.92Å; V766-D770 HydrophobicContact CB-CB 4.41Å; V766-D770 HydrophobicContact CG1-CB 4.48Å; V766-L774 HydrophobicContact CG1-CD1 4.01Å; V766-L774 HydrophobicContact CG1-CD2 4.34Å
767	K	96.2	Very high	96.1	Very high	60 Å²	60	13.9 Å²	13.9	26%	0.261	7%	0.068	S	C	.	.			trans	-113.9	169.6	167.9	-59.8	-179.4	-178.2	-172.1	0	110.1	E467 S769 D770	E467-K767 HydrophobicContact CB-CG 4.39Å; E467-K767 HydrophobicContact CG-CG 4.26Å; E467-K767 WeakPolarHBondContact OE2-CE 3.31Å; E467-K767 IonicContact OE2-NZ 3.51Å; E467-K767 PolarHBondContact OE2-NZ 3.43Å; K767-S769 PolarHBondContact O-N 3.31Å; K767-D770 WeakPolarHBondContact CB-OD2 3.42Å; K767-D770 PolarHBondContact N-OD2 2.98Å; K767-D770 WeakPolarHBondContact O-CB 3.49Å; K767-D770 PolarHBondContact O-N 2.84Å
768	F	95.3	Very high	96	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.026	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.5	174.2	-78.7	-63.3	0	0	0	113.6	H458 L460 P466 W674 I676 D696 L697 D770 L771	H458-F768 AromaticContact CE1-CD1 3.78Å; L460-F768 HydrophobicContact CB-CB 3.73Å; L460-F768 HydrophobicContact CB-CD2 3.98Å; L460-F768 HydrophobicContact CB-CG 3.85Å; L460-F768 HydrophobicContact CD1-CD1 3.96Å; L460-F768 HydrophobicContact CD1-CD2 3.68Å; L460-F768 HydrophobicContact CD1-CE1 3.97Å; L460-F768 HydrophobicContact CD1-CE2 3.63Å; L460-F768 HydrophobicContact CD1-CG 3.85Å; L460-F768 HydrophobicContact CD1-CZ 3.81Å; L460-F768 HydrophobicContact CG-CD2 4.49Å; P466-F768 HydrophobicContact CG-CE2 4.13Å; W674-F768 HydrophobicContact CB-CE2 3.76Å; W674-F768 HydrophobicContact CB-CZ 3.91Å; W674-F768 HydrophobicContact CD2-CE2 4.4Å; W674-F768 AromaticContact CG-CE2 3.9Å; W674-F768 HydrophobicContact CG-CE2 3.9Å; W674-F768 HydrophobicContact CG-CZ 4.36Å; I676-F768 HydrophobicContact CD1-CZ 4.11Å; I676-F768 HydrophobicContact CG1-CZ 4.05Å; D696-F768 HydrophobicContact CB-CE1 3.66Å; D696-F768 HydrophobicContact CB-CZ 4.06Å; L697-F768 HydrophobicContact CB-CE1 4.04Å; F768-D770 PolarHBondContact O-N 2.84Å; F768-L771 HydrophobicContact CD1-CD1 3.62Å; F768-L771 HydrophobicContact CE1-CD1 4.19Å; F768-L771 PolarHBondContact O-N 3.49Å
769	S	92.8	Very high	95.9	Very high	51 Å²	51	15.1 Å²	15.1	36%	0.357	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.2	175.1	51.8	0	0	0	0	113.7	A461 K767	A461-S769 WeakPolarHBondContact O-CB 3.37Å; K767-S769 PolarHBondContact O-N 3.31Å
770	D	93.9	Very high	95.9	Very high	22 Å²	22	16.7 Å²	16.7	12%	0.118	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.6	-179.1	-58.7	-55.2	0	0	0	112.8	V364 V766 K767 F768 Q772 R773 L774	V364-D770 HydrophobicContact CG2-CB 4.43Å; V766-D770 HydrophobicContact CB-CB 4.41Å; V766-D770 HydrophobicContact CG1-CB 4.48Å; K767-D770 WeakPolarHBondContact CB-OD2 3.42Å; K767-D770 PolarHBondContact N-OD2 2.98Å; K767-D770 WeakPolarHBondContact O-CB 3.49Å; K767-D770 PolarHBondContact O-N 2.84Å; F768-D770 PolarHBondContact O-N 2.84Å; D770-Q772 PolarHBondContact O-N 3.02Å; D770-R773 WeakPolarHBondContact O-CG 3.11Å; D770-R773 PolarHBondContact O-N 3.39Å; D770-R773 IonicContact OD1-CZ 3.95Å; D770-R773 VanDerWaalsContact OD1-CZ 3.27Å; D770-R773 IonicContact OD1-NE 3.94Å; D770-R773 PolarHBondContact OD1-NE 3.5Å; D770-R773 IonicContact OD1-NH2 3.4Å; D770-R773 PolarHBondContact OD1-NH2 2.86Å; D770-L774 WeakPolarHBondContact O-CG 3.29Å
771	L	94.7	Very high	95.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-57.3	-45.9	-166.3	-65.5	-179.9	0	0	0	112.9	L697 F734 F768 R773 L774 P775	L697-L771 HydrophobicContact CD1-CD1 4.2Å; L697-L771 HydrophobicContact CD1-CD2 4.22Å; F734-L771 HydrophobicContact CB-CB 4.48Å; F734-L771 HydrophobicContact CB-CD1 3.97Å; F734-L771 HydrophobicContact CD1-CB 3.98Å; F734-L771 HydrophobicContact CD1-CD1 4.2Å; F734-L771 HydrophobicContact CD1-CD2 3.9Å; F734-L771 HydrophobicContact CD1-CG 4.24Å; F734-L771 HydrophobicContact CD2-CB 3.93Å; F734-L771 HydrophobicContact CE1-CB 4.18Å; F734-L771 HydrophobicContact CE1-CD2 4.1Å; F734-L771 HydrophobicContact CE2-CB 4.13Å; F734-L771 WeakPolarHBondContact CE2-O 3.46Å; F734-L771 HydrophobicContact CG-CB 3.85Å; F734-L771 HydrophobicContact CG-CD1 4.1Å; F734-L771 HydrophobicContact CG-CG 4.38Å; F734-L771 HydrophobicContact CZ-CB 4.26Å; F734-L771 WeakPolarHBondContact CZ-O 3.45Å; F768-L771 HydrophobicContact CD1-CD1 3.62Å; F768-L771 HydrophobicContact CE1-CD1 4.19Å; F768-L771 PolarHBondContact O-N 3.49Å; L771-R773 PolarHBondContact O-N 3.37Å; L771-R773 VanDerWaalsContact O-N 3.13Å; L771-L774 HydrophobicContact CD2-CD1 4.06Å; L771-L774 WeakPolarHBondContact O-CB 3.04Å; L771-L774 PolarHBondContact O-N 2.91Å; L771-L774 VanDerWaalsContact O-N 3.12Å; L771-P775 VanDerWaalsContact O-CD 3.23Å; L771-P775 WeakPolarHBondContact O-CD 3.47Å
772	Q	92.1	Very high	95.7	Very high	39 Å²	39	18.4 Å²	18.4	18%	0.182	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-70	-16.2	-170	-57.7	172.2	-38.7	0	0	114.6	P455 P456 H458 D770	P455-Q772 HydrophobicContact CB-CB 3.48Å; P455-Q772 VanDerWaalsContact CB-CB 3.48Å; P455-Q772 HydrophobicContact CB-CG 4.4Å; P455-Q772 HydrophobicContact CG-CB 3.75Å; P456-Q772 PolarHBondContact O-NE2 3Å; P456-Q772 PolarHBondContact O-OE1 3.11Å; H458-Q772 VanDerWaalsContact CA-NE2 3.31Å; H458-Q772 HydrophobicContact CB-CG 4.35Å; H458-Q772 VanDerWaalsContact N-OE1 3.08Å; D770-Q772 PolarHBondContact O-N 3.02Å
773	R	91.9	Very high	95.6	Very high	52 Å²	52	20.9 Å²	20.9	20%	0.196	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-89.6	-25.4	175.2	54	172.8	-177.8	169.6	10.1	113	D361 D770 L771 P775 Y776	D361-R773 IonicContact OD1-NH1 3.36Å; D361-R773 IonicContact OD1-NH2 2.84Å; D361-R773 PolarHBondContact OD1-NH2 2.8Å; D361-R773 IonicContact OD2-CZ 2.77Å; D361-R773 IonicContact OD2-NH1 3.61Å; D361-R773 PolarHBondContact OD2-NH1 3.45Å; D361-R773 IonicContact OD2-NH2 3.64Å; D361-R773 PolarHBondContact OD2-NH2 2.84Å; D770-R773 WeakPolarHBondContact O-CG 3.11Å; D770-R773 PolarHBondContact O-N 3.39Å; D770-R773 IonicContact OD1-CZ 3.95Å; D770-R773 VanDerWaalsContact OD1-CZ 3.27Å; D770-R773 IonicContact OD1-NE 3.94Å; D770-R773 PolarHBondContact OD1-NE 3.5Å; D770-R773 IonicContact OD1-NH2 3.4Å; D770-R773 PolarHBondContact OD1-NH2 2.86Å; L771-R773 PolarHBondContact O-N 3.37Å; L771-R773 VanDerWaalsContact O-N 3.13Å; R773-P775 VanDerWaalsContact C-N 3.35Å; R773-Y776 WeakPolarHBondContact O-CB 3.49Å; R773-Y776 PolarHBondContact O-N 3.07Å
774	L	95.7	Very high	95.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-57	-37.2	-177	-55.7	174	0	0	0	114.3	V364 F734 A758 M764 V766 D770 L771 Y776 Y777	V364-L774 HydrophobicContact CG1-CD2 3.94Å; V364-L774 HydrophobicContact CG2-CD2 4.13Å; F734-L774 HydrophobicContact CE1-CD1 4.41Å; F734-L774 HydrophobicContact CZ-CB 4.34Å; A758-L774 HydrophobicContact CB-CB 3.46Å; A758-L774 VanDerWaalsContact CB-CB 3.46Å; A758-L774 HydrophobicContact CB-CD1 4.19Å; A758-L774 HydrophobicContact CB-CG 4.48Å; M764-L774 HydrophobicContact CE-CD1 3.46Å; M764-L774 VanDerWaalsContact CE-CD1 3.46Å; M764-L774 HydrophobicContact CE-CD2 3.66Å; M764-L774 HydrophobicContact CE-CG 4.11Å; V766-L774 HydrophobicContact CG1-CD1 4.01Å; V766-L774 HydrophobicContact CG1-CD2 4.34Å; D770-L774 WeakPolarHBondContact O-CG 3.29Å; L771-L774 HydrophobicContact CD2-CD1 4.06Å; L771-L774 WeakPolarHBondContact O-CB 3.04Å; L771-L774 PolarHBondContact O-N 2.91Å; L771-L774 VanDerWaalsContact O-N 3.12Å; L774-Y776 PolarHBondContact O-N 3.18Å; L774-Y777 HydrophobicContact CD2-CD2 4.13Å; L774-Y777 HydrophobicContact CD2-CE2 3.86Å; L774-Y777 WeakPolarHBondContact O-CB 3.25Å; L774-Y777 PolarHBondContact O-N 2.84Å
775	P	96.2	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-59	-32.6	179.1	-29.9	38.5	0	0	0	114.2	F734 F753 K754 S755 V757 L771 R773 Y777 I778	F734-P775 HydrophobicContact CE2-CG 3.62Å; F734-P775 HydrophobicContact CZ-CG 3.7Å; F753-P775 HydrophobicContact CD2-CB 4.12Å; F753-P775 WeakPolarHBondContact CD2-O 3.48Å; F753-P775 HydrophobicContact CE2-CB 3.78Å; K754-P775 WeakPolarHBondContact O-CB 3.38Å; S755-P775 WeakPolarHBondContact O-CG 3.35Å; V757-P775 WeakPolarHBondContact O-CA 3.22Å; V757-P775 WeakPolarHBondContact O-CB 3.23Å; V757-P775 WeakPolarHBondContact O-CG 3.49Å; L771-P775 VanDerWaalsContact O-CD 3.23Å; L771-P775 WeakPolarHBondContact O-CD 3.47Å; R773-P775 VanDerWaalsContact C-N 3.35Å; P775-Y777 PolarHBondContact O-N 2.81Å; P775-I778 WeakPolarHBondContact O-CB 3.42Å; P775-I778 PolarHBondContact O-N 2.81Å; P775-I778 VanDerWaalsContact O-N 3.16Å
776	Y	95.7	Very high	95.2	Very high	28 Å²	28	20.5 Å²	20.5	11%	0.11	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-65.9	-17.2	179	-67.2	-83.5	0	0	0	112.5	S449 I450 N453 F753 R773 L774 Y780	S449-Y776 WeakPolarHBondContact OG-CD1 3.23Å; I450-Y776 HydrophobicContact CD1-CG 4.45Å; I450-Y776 HydrophobicContact CG1-CD1 4.11Å; I450-Y776 HydrophobicContact CG1-CD2 3.93Å; I450-Y776 HydrophobicContact CG1-CG 3.55Å; N453-Y776 HydrophobicContact CB-CE1 4.14Å; N453-Y776 WeakPolarHBondContact CB-OH 3.36Å; N453-Y776 PolarHBondContact O-OH 3.44Å; F753-Y776 HydrophobicContact CD2-CD1 4.14Å; F753-Y776 HydrophobicContact CD2-CG 4.43Å; F753-Y776 AromaticContact CE2-CD1 3.48Å; F753-Y776 HydrophobicContact CE2-CD1 3.48Å; F753-Y776 VanDerWaalsContact CE2-CD1 3.48Å; F753-Y776 HydrophobicContact CE2-CD2 4.03Å; F753-Y776 AromaticContact CE2-CE1 3.56Å; F753-Y776 HydrophobicContact CE2-CE1 3.56Å; F753-Y776 HydrophobicContact CE2-CE2 4.12Å; F753-Y776 AromaticContact CE2-CG 3.73Å; F753-Y776 HydrophobicContact CE2-CG 3.73Å; F753-Y776 AromaticContact CE2-CZ 3.89Å; F753-Y776 HydrophobicContact CZ-CD1 4.13Å; F753-Y776 AromaticContact CZ-CE1 3.7Å; F753-Y776 HydrophobicContact CZ-CE1 3.7Å; F753-Y776 HydrophobicContact CZ-CE2 4.34Å; F753-Y776 AromaticContact CZ-CZ 3.83Å; R773-Y776 WeakPolarHBondContact O-CB 3.49Å; R773-Y776 PolarHBondContact O-N 3.07Å; L774-Y776 PolarHBondContact O-N 3.18Å; Y776-Y780 WeakPolarHBondContact O-CD2 3.32Å; Y776-Y780 WeakPolarHBondContact O-CE2 3.49Å
777	Y	96.2	Very high	95	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-80.5	-25.3	177.1	-55.8	-22.5	0	0	0	112.7	F360 D361 Y365 M446 I450 L774 P775 Y780 Y781	F360-Y777 AromaticContact CD1-CD1 3.96Å; F360-Y777 HydrophobicContact CD1-CD1 3.96Å; F360-Y777 HydrophobicContact CD1-CD2 4.37Å; F360-Y777 AromaticContact CD1-CG 3.76Å; F360-Y777 HydrophobicContact CD1-CG 3.76Å; D361-Y777 HydrophobicContact CB-CE2 4.32Å; Y365-Y777 HydrophobicContact CE2-CD2 4.42Å; M446-Y777 HydrophobicContact CE-CD1 4.23Å; M446-Y777 HydrophobicContact CE-CE1 4.49Å; M446-Y777 HydrophobicContact CG-CD1 4.42Å; M446-Y777 HydrophobicContact SD-CD1 3.68Å; M446-Y777 HydrophobicContact SD-CE1 4.42Å; I450-Y777 HydrophobicContact CD1-CD1 4.15Å; I450-Y777 HydrophobicContact CD1-CE1 3.57Å; L774-Y777 HydrophobicContact CD2-CD2 4.13Å; L774-Y777 HydrophobicContact CD2-CE2 3.86Å; L774-Y777 WeakPolarHBondContact O-CB 3.25Å; L774-Y777 PolarHBondContact O-N 2.84Å; P775-Y777 PolarHBondContact O-N 2.81Å; Y777-Y780 PolarHBondContact O-N 3Å; Y777-Y781 WeakPolarHBondContact CB-OH 3.3Å; Y777-Y781 PolarHBondContact O-N 2.76Å
778	I	96.1	Very high	94.8	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-53.9	-51.5	-171.7	-67.3	-74.3	0	0	0	112.5	I750 A759 P775 Y780 Y781	I750-I778 HydrophobicContact CB-CG2 4.44Å; I750-I778 HydrophobicContact CD1-CG2 4.39Å; I750-I778 HydrophobicContact CG1-CG2 3.95Å; I750-I778 HydrophobicContact CG2-CD1 3.77Å; I750-I778 HydrophobicContact CG2-CG2 4.08Å; A759-I778 HydrophobicContact CB-CD1 3.77Å; P775-I778 WeakPolarHBondContact O-CB 3.42Å; P775-I778 PolarHBondContact O-N 2.81Å; P775-I778 VanDerWaalsContact O-N 3.16Å; I778-Y780 PolarHBondContact O-N 2.86Å; I778-Y780 VanDerWaalsContact O-N 3.1Å; I778-Y781 HydrophobicContact CD1-CD2 4.32Å; I778-Y781 HydrophobicContact CD1-CE2 3.87Å; I778-Y781 HydrophobicContact CG1-CE2 4.45Å
779	P	95.6	Very high	94.7	Very high	25 Å²	25	24.7 Å²	24.7	16%	0.162	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-67.5	-14.1	-179.8	-18.8	32.5	0	0	0	114.5	D751 F753 Q782	D751-P779 WeakPolarHBondContact O-CA 3.44Å; D751-P779 WeakPolarHBondContact O-CB 3.34Å; F753-P779 HydrophobicContact CB-CG 3.79Å; P779-Q782 WeakPolarHBondContact O-CG 3.33Å; P779-Q782 PolarHBondContact O-NE2 2.84Å
780	Y	96.6	Very high	94.6	Very high	33 Å²	33	25.5 Å²	25.5	13%	0.129	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-103	-14	-171.1	-63.4	-90.2	0	0	0	113.6	Q442 K445 M446 Y776 Y777 I778 Q782 Y783 A784	Q442-Y780 HydrophobicContact CB-CD1 3.94Å; Q442-Y780 HydrophobicContact CB-CE1 4.09Å; Q442-Y780 WeakPolarHBondContact O-CD1 3.36Å; Q442-Y780 WeakPolarHBondContact O-CE1 3.37Å; K445-Y780 HydrophobicContact CB-CE1 4.39Å; M446-Y780 VanDerWaalsContact CA-CZ 3.5Å; M446-Y780 HydrophobicContact CB-CD1 3.75Å; M446-Y780 HydrophobicContact CB-CD2 3.71Å; M446-Y780 HydrophobicContact CB-CE1 3.69Å; M446-Y780 HydrophobicContact CB-CE2 3.6Å; M446-Y780 HydrophobicContact CB-CG 3.76Å; M446-Y780 HydrophobicContact CG-CD1 4.36Å; M446-Y780 HydrophobicContact CG-CD2 3.49Å; M446-Y780 VanDerWaalsContact CG-CD2 3.49Å; M446-Y780 HydrophobicContact CG-CE2 3.67Å; M446-Y780 HydrophobicContact CG-CG 3.85Å; M446-Y780 PolarHBondContact N-OH 3.24Å; M446-Y780 HydrophobicContact SD-CD1 4.46Å; M446-Y780 HydrophobicContact SD-CD2 3.73Å; M446-Y780 HydrophobicContact SD-CG 3.68Å; Y776-Y780 WeakPolarHBondContact O-CD2 3.32Å; Y776-Y780 WeakPolarHBondContact O-CE2 3.49Å; Y777-Y780 PolarHBondContact O-N 3Å; I778-Y780 PolarHBondContact O-N 2.86Å; I778-Y780 VanDerWaalsContact O-N 3.1Å; Y780-Q782 PolarHBondContact O-N 2.79Å; Y780-Y783 AromaticContact CD1-CD2 3.68Å; Y780-Y783 HydrophobicContact CD1-CD2 3.68Å; Y780-Y783 AromaticContact CD1-CE2 3.72Å; Y780-Y783 HydrophobicContact CD1-CE2 3.72Å; Y780-Y783 HydrophobicContact CE1-CE2 4.17Å; Y780-Y783 HydrophobicContact CG-CD2 4.25Å; Y780-Y783 HydrophobicContact CG-CE2 4.37Å; Y780-Y783 PolarHBondContact O-N 2.89Å; Y780-A784 PolarHBondContact O-N 3.44Å
781	Y	96.2	Very high	94.5	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-32	171.1	-64.6	-50.1	0	0	0	112.4	L356 F360 Y365 P748 F761 Y777 I778 Y783 A784 F785	L356-Y781 HydrophobicContact CD2-CD1 4.04Å; L356-Y781 HydrophobicContact CD2-CE1 3.73Å; F360-Y781 HydrophobicContact CD1-CD1 4.25Å; F360-Y781 AromaticContact CD1-CE1 3.83Å; F360-Y781 HydrophobicContact CD1-CE1 3.83Å; F360-Y781 AromaticContact CE1-CD1 3.51Å; F360-Y781 HydrophobicContact CE1-CD1 3.51Å; F360-Y781 AromaticContact CE1-CE1 3.54Å; F360-Y781 HydrophobicContact CE1-CE1 3.54Å; F360-Y781 HydrophobicContact CE1-CG 4.37Å; F360-Y781 HydrophobicContact CE2-CD1 4.19Å; F360-Y781 HydrophobicContact CE2-CE1 4.44Å; F360-Y781 HydrophobicContact CG-CE1 4.38Å; F360-Y781 AromaticContact CZ-CD1 3.48Å; F360-Y781 HydrophobicContact CZ-CD1 3.48Å; F360-Y781 VanDerWaalsContact CZ-CD1 3.48Å; F360-Y781 AromaticContact CZ-CE1 3.89Å; F360-Y781 HydrophobicContact CZ-CE1 3.89Å; F360-Y781 HydrophobicContact CZ-CG 4.4Å; Y365-Y781 PolarHBondContact OH-OH 3.18Å; P748-Y781 HydrophobicContact CG-CD2 3.89Å; P748-Y781 HydrophobicContact CG-CE2 4.43Å; F761-Y781 HydrophobicContact CE2-CD1 4.02Å; F761-Y781 HydrophobicContact CE2-CD2 4.05Å; F761-Y781 AromaticContact CE2-CE1 3.62Å; F761-Y781 HydrophobicContact CE2-CE1 3.62Å; F761-Y781 AromaticContact CE2-CE2 3.66Å; F761-Y781 HydrophobicContact CE2-CE2 3.66Å; F761-Y781 HydrophobicContact CE2-CG 4.23Å; F761-Y781 AromaticContact CE2-CZ 3.43Å; F761-Y781 VanDerWaalsContact CE2-CZ 3.43Å; F761-Y781 AromaticContact CZ-CD1 3.75Å; F761-Y781 HydrophobicContact CZ-CD1 3.75Å; F761-Y781 HydrophobicContact CZ-CD2 4.1Å; F761-Y781 AromaticContact CZ-CE1 3.82Å; F761-Y781 HydrophobicContact CZ-CE1 3.82Å; F761-Y781 HydrophobicContact CZ-CE2 4.17Å; F761-Y781 AromaticContact CZ-CG 3.9Å; F761-Y781 HydrophobicContact CZ-CG 3.9Å; Y777-Y781 WeakPolarHBondContact CB-OH 3.3Å; Y777-Y781 PolarHBondContact O-N 2.76Å; I778-Y781 HydrophobicContact CD1-CD2 4.32Å; I778-Y781 HydrophobicContact CD1-CE2 3.87Å; I778-Y781 HydrophobicContact CG1-CE2 4.45Å; Y781-Y783 PolarHBondContact O-N 3.46Å; Y781-A784 PolarHBondContact O-N 3.4Å; Y781-F785 PolarHBondContact O-N 3.32Å
782	Q	94.3	Very high	94.3	Very high	40 Å²	40	29 Å²	29	19%	0.187	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-29.6	176.6	76.5	-175.4	-52.8	0	0	112.6	P779 Y780 F785 A786 W789	P779-Q782 WeakPolarHBondContact O-CG 3.33Å; P779-Q782 PolarHBondContact O-NE2 2.84Å; Y780-Q782 PolarHBondContact O-N 2.79Å; Q782-F785 CarbonylContact O-C 3.52Å; Q782-A786 WeakPolarHBondContact O-CA 3.44Å; Q782-A786 WeakPolarHBondContact O-CB 3.25Å; Q782-A786 PolarHBondContact O-N 3.04Å; Q782-W789 HydrophobicContact CB-CB 4.26Å; Q782-W789 HydrophobicContact CB-CD2 3.81Å; Q782-W789 HydrophobicContact CB-CE3 4.44Å; Q782-W789 HydrophobicContact CB-CG 3.71Å
783	Y	95.3	Very high	94.2	Very high	53 Å²	53	33.7 Å²	33.7	21%	0.208	15%	0.151	C	C	.	.	H	α-helix	trans	-79.3	-40.2	177.2	-53.1	-57.9	0	0	0	111	M434 Q442 Y780 Y781 F785	M434-Y783 HydrophobicContact CE-CD1 3.54Å; M434-Y783 HydrophobicContact CE-CE1 4.3Å; M434-Y783 HydrophobicContact CE-CG 4.48Å; M434-Y783 HydrophobicContact SD-CD1 4.14Å; Q442-Y783 HydrophobicContact CB-CD2 3.49Å; Q442-Y783 VanDerWaalsContact CB-CD2 3.49Å; Q442-Y783 HydrophobicContact CB-CE2 3.77Å; Q442-Y783 HydrophobicContact CB-CG 3.94Å; Q442-Y783 HydrophobicContact CG-CD1 4Å; Q442-Y783 HydrophobicContact CG-CD2 3.74Å; Q442-Y783 HydrophobicContact CG-CE1 4.01Å; Q442-Y783 HydrophobicContact CG-CE2 3.77Å; Q442-Y783 HydrophobicContact CG-CG 3.87Å; Y780-Y783 AromaticContact CD1-CD2 3.68Å; Y780-Y783 HydrophobicContact CD1-CD2 3.68Å; Y780-Y783 AromaticContact CD1-CE2 3.72Å; Y780-Y783 HydrophobicContact CD1-CE2 3.72Å; Y780-Y783 HydrophobicContact CE1-CE2 4.17Å; Y780-Y783 HydrophobicContact CG-CD2 4.25Å; Y780-Y783 HydrophobicContact CG-CE2 4.37Å; Y780-Y783 PolarHBondContact O-N 2.89Å; Y781-Y783 PolarHBondContact O-N 3.46Å; Y783-F785 PolarHBondContact O-N 2.97Å
784	A	95.8	Very high	94.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-29.6	174.4	0	0	0	0	0	113.1	I355 F360 I428 F443 Y780 Y781	I355-A784 HydrophobicContact CG2-CB 3.94Å; F360-A784 HydrophobicContact CE2-CB 3.7Å; F360-A784 HydrophobicContact CZ-CB 3.9Å; I428-A784 WeakPolarHBondContact CG2-O 3.37Å; F443-A784 HydrophobicContact CE1-CB 4.27Å; F443-A784 HydrophobicContact CZ-CB 3.94Å; Y780-A784 PolarHBondContact O-N 3.44Å; Y781-A784 PolarHBondContact O-N 3.4Å
785	F	95.6	Very high	94	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	37.4	-174.4	-55.8	-54.7	0	0	0	112.9	Q352 I355 L356 R746 V747 F761 Y781 Q782 Y783 K787 H788 W789	Q352-F785 HydrophobicContact CG-CE1 4.31Å; Q352-F785 HydrophobicContact CG-CZ 3.88Å; I355-F785 HydrophobicContact CB-CE1 4.3Å; I355-F785 HydrophobicContact CB-CZ 4.46Å; I355-F785 HydrophobicContact CG2-CE1 4.03Å; I355-F785 HydrophobicContact CG2-CZ 4.15Å; L356-F785 HydrophobicContact CD2-CE2 4.04Å; L356-F785 HydrophobicContact CD2-CZ 4.2Å; L356-F785 HydrophobicContact CG-CE2 4.46Å; L356-F785 HydrophobicContact CG-CZ 4.15Å; R746-F785 HydrophobicContact CB-CB 4.2Å; R746-F785 HydrophobicContact CB-CD1 4.1Å; R746-F785 HydrophobicContact CB-CD2 4.22Å; R746-F785 HydrophobicContact CB-CG 3.9Å; R746-F785 VanDerWaalsContact CD-CD1 3.5Å; R746-F785 HydrophobicContact CG-CD1 4.46Å; V747-F785 HydrophobicContact CG2-CB 3.64Å; F761-F785 HydrophobicContact CE1-CE2 4.05Å; F761-F785 HydrophobicContact CZ-CE2 4.48Å; Y781-F785 PolarHBondContact O-N 3.32Å; Q782-F785 CarbonylContact O-C 3.52Å; Y783-F785 PolarHBondContact O-N 2.97Å; F785-K787 VanDerWaalsContact C-N 3.26Å; F785-K787 PolarHBondContact O-N 3.02Å; F785-K787 VanDerWaalsContact O-N 3.09Å; F785-H788 PolarHBondContact O-N 3.49Å; F785-W789 PolarHBondContact O-N 3.48Å
786	A	95	Very high	93.7	Very high	6 Å²	6	40.7 Å²	40.7	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-51.1	-39.7	-171.5	0	0	0	0	0	114.6	M434 Q782 H788 W789 N790	M434-A786 HydrophobicContact CB-CB 3.51Å; M434-A786 HydrophobicContact CE-CB 4.29Å; M434-A786 HydrophobicContact CG-CB 4.38Å; Q782-A786 WeakPolarHBondContact O-CA 3.44Å; Q782-A786 WeakPolarHBondContact O-CB 3.25Å; Q782-A786 PolarHBondContact O-N 3.04Å; A786-H788 PolarHBondContact O-N 3.45Å; A786-W789 WeakPolarHBondContact O-CB 3.45Å; A786-W789 PolarHBondContact O-N 3.26Å; A786-N790 WeakPolarHBondContact O-CB 3.41Å; A786-N790 PolarHBondContact O-N 3.29Å; A786-N790 PolarHBondContact O-ND2 3.16Å
787	K	93.6	Very high	93.5	Very high	91 Å²	91	43.1 Å²	43.1	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-47.8	174.7	-179.9	172.3	-174.1	164.2	0	112.8	Y433 F785 M791	Y433-K787 HydrophobicContact CD1-CB 4.36Å; Y433-K787 HydrophobicContact CD2-CB 3.84Å; Y433-K787 HydrophobicContact CD2-CD 4.26Å; Y433-K787 HydrophobicContact CD2-CG 4.07Å; Y433-K787 HydrophobicContact CE1-CG 4.33Å; Y433-K787 HydrophobicContact CE2-CB 4.06Å; Y433-K787 HydrophobicContact CE2-CD 3.8Å; Y433-K787 HydrophobicContact CE2-CG 3.74Å; Y433-K787 HydrophobicContact CG-CB 3.99Å; Y433-K787 HydrophobicContact CG-CG 4.48Å; F785-K787 VanDerWaalsContact C-N 3.26Å; F785-K787 PolarHBondContact O-N 3.02Å; F785-K787 VanDerWaalsContact O-N 3.09Å; K787-M791 HydrophobicContact CG-SD 4.14Å; K787-M791 VanDerWaalsContact O-CG 3.22Å; K787-M791 WeakPolarHBondContact O-CG 3.23Å; K787-M791 PolarHBondContact O-N 2.93Å; K787-M791 VanDerWaalsContact O-N 3.08Å
788	H	92.4	Very high	93.3	Very high	35 Å²	35	46.2 Å²	46.2	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-71.5	-34.9	-179.1	-70.4	85.6	0	0	0	111.5	Y481 R746 V747 F785 A786 M791 A792	Y481-H788 AromaticContact CE2-CE1 3.95Å; Y481-H788 AromaticContact CE2-NE2 3.33Å; Y481-H788 VanDerWaalsContact CE2-NE2 3.33Å; Y481-H788 WeakPolarHBondContact CE2-NE2 3.24Å; Y481-H788 AromaticContact CZ-CE1 3.93Å; Y481-H788 AromaticContact CZ-NE2 3.69Å; Y481-H788 PolarHBondContact OH-CE1 2.99Å; Y481-H788 PolarHBondContact OH-NE2 3.01Å; R746-H788 HydrophobicContact CB-CB 4.3Å; V747-H788 HydrophobicContact CG2-CB 3.89Å; F785-H788 PolarHBondContact O-N 3.49Å; A786-H788 PolarHBondContact O-N 3.45Å; H788-M791 PolarHBondContact O-N 2.7Å; H788-A792 WeakPolarHBondContact O-CB 3.26Å; H788-A792 PolarHBondContact O-N 3.04Å
789	W	92.4	Very high	93.1	Very high	30 Å²	30	46.9 Å²	46.9	11%	0.114	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-53.7	172.4	-179.1	-117.9	0	0	0	112	V747 D751 Q782 F785 A786 M791 A792 R793	V747-W789 HydrophobicContact CB-CE3 4.21Å; V747-W789 HydrophobicContact CG1-CE3 3.59Å; V747-W789 HydrophobicContact CG1-CZ3 4.05Å; V747-W789 HydrophobicContact CG2-CB 4.22Å; D751-W789 HydrophobicContact CB-CH2 3.38Å; D751-W789 HydrophobicContact CB-CZ2 3.73Å; D751-W789 HydrophobicContact CB-CZ3 4.18Å; D751-W789 VanDerWaalsContact CG-CH2 3.47Å; D751-W789 WeakPolarHBondContact OD2-CH2 3.37Å; D751-W789 WeakPolarHBondContact OD2-CZ2 3.46Å; Q782-W789 HydrophobicContact CB-CB 4.26Å; Q782-W789 HydrophobicContact CB-CD2 3.81Å; Q782-W789 HydrophobicContact CB-CE3 4.44Å; Q782-W789 HydrophobicContact CB-CG 3.71Å; F785-W789 PolarHBondContact O-N 3.48Å; A786-W789 WeakPolarHBondContact O-CB 3.45Å; A786-W789 PolarHBondContact O-N 3.26Å; W789-M791 VanDerWaalsContact C-N 3.31Å; W789-M791 PolarHBondContact O-N 3Å; W789-A792 PolarHBondContact O-N 3.2Å; W789-A792 VanDerWaalsContact O-N 3.12Å; W789-R793 HydrophobicContact CZ2-CG 4.42Å; W789-R793 PolarHBondContact O-N 2.69Å
790	N	91.9	Very high	92.9	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-41.6	177.4	-80.4	-72.7	0	0	0	112.2	Y433 A786 R793 T794	Y433-N790 HydrophobicContact CD1-CB 4.34Å; A786-N790 WeakPolarHBondContact O-CB 3.41Å; A786-N790 PolarHBondContact O-N 3.29Å; A786-N790 PolarHBondContact O-ND2 3.16Å; N790-R793 PolarHBondContact O-N 2.91Å; N790-T794 WeakPolarHBondContact O-CB 3.31Å; N790-T794 PolarHBondContact O-N 3.24Å; N790-T794 PolarHBondContact O-OG1 2.86Å
791	M	91.9	Very high	92.7	Very high	84 Å²	84	55 Å²	55	41%	0.414	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-38.4	176.1	-71.8	174	66.9	0	0	112.7	K787 H788 W789 K795	K787-M791 HydrophobicContact CG-SD 4.14Å; K787-M791 VanDerWaalsContact O-CG 3.22Å; K787-M791 WeakPolarHBondContact O-CG 3.23Å; K787-M791 PolarHBondContact O-N 2.93Å; K787-M791 VanDerWaalsContact O-N 3.08Å; H788-M791 PolarHBondContact O-N 2.7Å; W789-M791 VanDerWaalsContact C-N 3.31Å; W789-M791 PolarHBondContact O-N 3Å; M791-K795 VanDerWaalsContact O-CG 3.31Å; M791-K795 WeakPolarHBondContact O-CG 3.17Å; M791-K795 PolarHBondContact O-N 3.37Å
792	A	90.4	Very high	92.6	Very high	13 Å²	13	60.4 Å²	60.4	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-45.8	177.5	0	0	0	0	0	111.2	Y744 H788 W789 K795 A796	Y744-A792 HydrophobicContact CD1-CB 4.34Å; H788-A792 WeakPolarHBondContact O-CB 3.26Å; H788-A792 PolarHBondContact O-N 3.04Å; W789-A792 PolarHBondContact O-N 3.2Å; W789-A792 VanDerWaalsContact O-N 3.12Å; A792-K795 PolarHBondContact O-N 2.95Å; A792-A796 PolarHBondContact O-N 3.44Å
793	R	90.1	Very high	92.3	Very high	137 Å²	137	62.1 Å²	62.1	52%	0.517	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-49.7	174.7	-75.9	-170.4	60.4	170.8	-1.8	112.4	W789 N790 K795 A796 D797	W789-R793 HydrophobicContact CZ2-CG 4.42Å; W789-R793 PolarHBondContact O-N 2.69Å; N790-R793 PolarHBondContact O-N 2.91Å; R793-K795 PolarHBondContact O-N 3.48Å; R793-A796 WeakPolarHBondContact O-CA 3.42Å; R793-A796 WeakPolarHBondContact O-CB 3.28Å; R793-A796 PolarHBondContact O-N 3.03Å; R793-D797 PolarHBondContact O-N 3.19Å
794	T	91.5	Very high	92.1	Very high	86 Å²	86	64.3 Å²	64.3	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-38.6	178.5	-55.2	0	0	0	0	111.9	N790 S798	N790-T794 WeakPolarHBondContact O-CB 3.31Å; N790-T794 PolarHBondContact O-N 3.24Å; N790-T794 PolarHBondContact O-OG1 2.86Å; T794-S798 WeakPolarHBondContact O-CB 3.4Å; T794-S798 PolarHBondContact O-N 3.22Å; T794-S798 PolarHBondContact O-OG 3.43Å
795	K	91	Very high	92	Very high	104 Å²	104	71.3 Å²	71.3	45%	0.452	34%	0.335	S	S	.	.	H	α-helix	trans	-69.4	-40.2	175.9	-74.8	175	-175	175.5	0	112.5	M791 A792 R793 Y799	M791-K795 VanDerWaalsContact O-CG 3.31Å; M791-K795 WeakPolarHBondContact O-CG 3.17Å; M791-K795 PolarHBondContact O-N 3.37Å; A792-K795 PolarHBondContact O-N 2.95Å; R793-K795 PolarHBondContact O-N 3.48Å; K795-Y799 WeakPolarHBondContact O-CB 3.41Å; K795-Y799 PolarHBondContact O-N 2.86Å
796	A	89.5	Confident	91.8	Very high	8 Å²	8	74.3 Å²	74.3	7%	0.066	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-49.5	175.3	0	0	0	0	0	110.8	E707 Y708 A792 R793 S798 Y799 T800	E707-A796 HydrophobicContact CG-CB 4.41Å; Y708-A796 HydrophobicContact CE2-CB 4.38Å; Y708-A796 VanDerWaalsContact OH-CA 3.31Å; Y708-A796 WeakPolarHBondContact OH-CA 3.31Å; Y708-A796 PolarHBondContact OH-N 3.21Å; A792-A796 PolarHBondContact O-N 3.44Å; R793-A796 WeakPolarHBondContact O-CA 3.42Å; R793-A796 WeakPolarHBondContact O-CB 3.28Å; R793-A796 PolarHBondContact O-N 3.03Å; A796-S798 VanDerWaalsContact C-N 3.35Å; A796-S798 PolarHBondContact O-N 2.91Å; A796-Y799 WeakPolarHBondContact O-CA 3.45Å; A796-Y799 WeakPolarHBondContact O-CB 3.31Å; A796-Y799 PolarHBondContact O-N 2.76Å; A796-T800 PolarHBondContact O-N 3.39Å; A796-T800 PolarHBondContact O-OG1 3.19Å; A796-T800 VanDerWaalsContact O-OG1 3.11Å
797	D	91.9	Very high	91.5	Very high	79 Å²	79	76.2 Å²	76.2	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-57.3	-48.9	176.9	-63.9	-22.2	0	0	0	110.8	R793 Y799 T800 Y801	R793-D797 PolarHBondContact O-N 3.19Å; D797-Y799 VanDerWaalsContact C-N 3.26Å; D797-Y799 PolarHBondContact O-N 3.36Å; D797-T800 PolarHBondContact O-N 2.95Å; D797-Y801 HydrophobicContact CB-CD2 4.46Å; D797-Y801 HydrophobicContact CB-CE2 4.4Å; D797-Y801 WeakPolarHBondContact O-CD2 3.23Å; D797-Y801 PolarHBondContact O-N 2.72Å
798	S	92.9	Very high	91.3	Very high	72 Å²	72	76.2 Å²	76.2	50%	0.503	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-36.2	177.3	-60.2	0	0	0	0	112.8	T794 A796 R802	T794-S798 WeakPolarHBondContact O-CB 3.4Å; T794-S798 PolarHBondContact O-N 3.22Å; T794-S798 PolarHBondContact O-OG 3.43Å; A796-S798 VanDerWaalsContact C-N 3.35Å; A796-S798 PolarHBondContact O-N 2.91Å; S798-R802 WeakPolarHBondContact O-CB 3.44Å; S798-R802 PolarHBondContact O-N 3.14Å; S798-R802 VanDerWaalsContact O-N 3.13Å
799	Y	92.3	Very high	91.1	Very high	17 Å²	17	79.3 Å²	79.3	7%	0.067	38%	0.383	C	S	.	.	H	α-helix	trans	-67.1	-47.7	176.4	-177	-97.8	0	0	0	111.3	E707 Y708 D710 L711 K795 A796 D797 R802 K803	E707-Y799 WeakPolarHBondContact O-CE1 3.24Å; Y708-Y799 AromaticContact CD1-CD1 3.56Å; Y708-Y799 HydrophobicContact CD1-CD1 3.56Å; Y708-Y799 HydrophobicContact CD1-CD2 4.04Å; Y708-Y799 AromaticContact CD1-CE1 3.6Å; Y708-Y799 HydrophobicContact CD1-CE1 3.6Å; Y708-Y799 HydrophobicContact CD1-CE2 4.07Å; Y708-Y799 AromaticContact CD1-CG 3.8Å; Y708-Y799 HydrophobicContact CD1-CG 3.8Å; Y708-Y799 AromaticContact CD1-CZ 3.86Å; Y708-Y799 AromaticContact CE1-CD1 3.61Å; Y708-Y799 HydrophobicContact CE1-CD1 3.61Å; Y708-Y799 AromaticContact CE1-CD2 3.74Å; Y708-Y799 HydrophobicContact CE1-CD2 3.74Å; Y708-Y799 HydrophobicContact CE1-CE1 4.11Å; Y708-Y799 HydrophobicContact CE1-CE2 4.22Å; Y708-Y799 AromaticContact CE1-CG 3.4Å; Y708-Y799 HydrophobicContact CE1-CG 3.4Å; Y708-Y799 VanDerWaalsContact CE1-CG 3.4Å; Y708-Y799 HydrophobicContact CG-CE1 4.47Å; D710-Y799 PolarHBondContact OD1-OH 2.93Å; D710-Y799 PolarHBondContact OD2-OH 2.84Å; L711-Y799 HydrophobicContact CD1-CE2 4.29Å; L711-Y799 WeakPolarHBondContact CG-OH 3.13Å; K795-Y799 WeakPolarHBondContact O-CB 3.41Å; K795-Y799 PolarHBondContact O-N 2.86Å; A796-Y799 WeakPolarHBondContact O-CA 3.45Å; A796-Y799 WeakPolarHBondContact O-CB 3.31Å; A796-Y799 PolarHBondContact O-N 2.76Å; D797-Y799 VanDerWaalsContact C-N 3.26Å; D797-Y799 PolarHBondContact O-N 3.36Å; Y799-R802 PolarHBondContact O-N 2.86Å; Y799-K803 HydrophobicContact CD1-CG 4.28Å; Y799-K803 HydrophobicContact CE1-CG 3.92Å; Y799-K803 WeakPolarHBondContact O-CG 3.49Å; Y799-K803 PolarHBondContact O-N 2.76Å; Y799-K803 WeakPolarHBondContact OH-CE 3.48Å
800	T	90.8	Very high	90.7	Very high	56 Å²	56	82.9 Å²	82.9	34%	0.344	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-47.4	177.6	-56.3	0	0	0	0	111.4	A796 D797 R802 K803 L804	A796-T800 PolarHBondContact O-N 3.39Å; A796-T800 PolarHBondContact O-OG1 3.19Å; A796-T800 VanDerWaalsContact O-OG1 3.11Å; D797-T800 PolarHBondContact O-N 2.95Å; T800-R802 VanDerWaalsContact C-N 3.32Å; T800-R802 PolarHBondContact O-N 2.71Å; T800-K803 PolarHBondContact O-N 3.39Å; T800-K803 VanDerWaalsContact O-N 3.08Å; T800-L804 HydrophobicContact CG2-CD1 4.29Å; T800-L804 WeakPolarHBondContact O-CG 3.49Å; T800-L804 PolarHBondContact O-N 2.6Å
801	Y	91.9	Very high	90.3	Very high	171 Å²	171	84.4 Å²	84.4	67%	0.671	41%	0.412	S	S	*	.	H	α-helix	trans	-59.1	-41.7	176	-81.3	-66.4	0	0	0	112.6	D797 K803 L804 R805	D797-Y801 HydrophobicContact CB-CD2 4.46Å; D797-Y801 HydrophobicContact CB-CE2 4.4Å; D797-Y801 WeakPolarHBondContact O-CD2 3.23Å; D797-Y801 PolarHBondContact O-N 2.72Å; Y801-K803 VanDerWaalsContact C-N 3.3Å; Y801-K803 PolarHBondContact O-N 3.44Å; Y801-L804 PolarHBondContact O-N 3.4Å; Y801-R805 PolarHBondContact O-N 2.73Å
802	R	93.2	Very high	89.6	Confident	116 Å²	116	87.4 Å²	87.4	44%	0.438	43%	0.425	S	S	.	.	H	α-helix	trans	-62.9	-39.3	175.6	-177.6	-179.7	61.7	176.9	2.3	111.5	S798 Y799 T800 R805 E806	S798-R802 WeakPolarHBondContact O-CB 3.44Å; S798-R802 PolarHBondContact O-N 3.14Å; S798-R802 VanDerWaalsContact O-N 3.13Å; Y799-R802 PolarHBondContact O-N 2.86Å; T800-R802 VanDerWaalsContact C-N 3.32Å; T800-R802 PolarHBondContact O-N 2.71Å; R802-R805 PolarHBondContact O-N 2.99Å; R802-E806 IonicContact NE-OE1 3.75Å; R802-E806 WeakPolarHBondContact O-CG 3.38Å; R802-E806 PolarHBondContact O-N 3.27Å
803	K	89.9	Confident	88.7	Confident	76 Å²	76	90 Å²	90	33%	0.33	44%	0.442	S	S	.	.	H	α-helix	trans	-68.8	-40.1	179.1	-75.3	-72.5	167.2	-155.5	0	113	D710 Y799 T800 Y801 R805 E806 A807	D710-K803 WeakPolarHBondContact OD2-CE 3.47Å; D710-K803 IonicContact OD2-NZ 3.48Å; Y799-K803 HydrophobicContact CD1-CG 4.28Å; Y799-K803 HydrophobicContact CE1-CG 3.92Å; Y799-K803 WeakPolarHBondContact O-CG 3.49Å; Y799-K803 PolarHBondContact O-N 2.76Å; Y799-K803 WeakPolarHBondContact OH-CE 3.48Å; T800-K803 PolarHBondContact O-N 3.39Å; T800-K803 VanDerWaalsContact O-N 3.08Å; Y801-K803 VanDerWaalsContact C-N 3.3Å; Y801-K803 PolarHBondContact O-N 3.44Å; K803-R805 VanDerWaalsContact C-N 3.35Å; K803-E806 IonicContact NZ-OE2 3.98Å; K803-E806 PolarHBondContact NZ-OE2 2.75Å; K803-E806 PolarHBondContact O-N 2.73Å; K803-A807 WeakPolarHBondContact O-CB 2.83Å; K803-A807 PolarHBondContact O-N 2.84Å
804	L	90.8	Very high	87.4	Confident	99 Å²	99	89.7 Å²	89.7	52%	0.518	45%	0.447	S	S	.	.	H	α-helix	trans	-60.7	-45.8	172.4	-69.6	170.6	0	0	0	110.7	T800 Y801 E806 A807 D808	T800-L804 HydrophobicContact CG2-CD1 4.29Å; T800-L804 WeakPolarHBondContact O-CG 3.49Å; T800-L804 PolarHBondContact O-N 2.6Å; Y801-L804 PolarHBondContact O-N 3.4Å; L804-E806 PolarHBondContact O-N 3.49Å; L804-A807 WeakPolarHBondContact O-CB 3.33Å; L804-A807 PolarHBondContact O-N 3.22Å; L804-A807 VanDerWaalsContact O-N 3.15Å; L804-D808 PolarHBondContact O-N 3.03Å
805	R	92.4	Very high	85.8	Confident	147 Å²	147	91.6 Å²	91.6	56%	0.555	45%	0.454	S	S	*	.	H	α-helix	trans	-63.5	-42.2	177.2	-160.9	-171.7	74	-157.2	-7.9	113.1	Y801 R802 K803 A807 D808 E809	Y801-R805 PolarHBondContact O-N 2.73Å; R802-R805 PolarHBondContact O-N 2.99Å; K803-R805 VanDerWaalsContact C-N 3.35Å; R805-A807 VanDerWaalsContact C-N 3.26Å; R805-A807 PolarHBondContact O-N 3.13Å; R805-D808 PolarHBondContact O-N 3.31Å; R805-E809 WeakPolarHBondContact CD-OE1 3.19Å; R805-E809 WeakPolarHBondContact CG-OE1 3.44Å; R805-E809 IonicContact CZ-OE1 3.31Å; R805-E809 IonicContact NE-OE1 2.67Å; R805-E809 PolarHBondContact NE-OE1 2.98Å; R805-E809 IonicContact NH2-OE1 2.93Å; R805-E809 WeakPolarHBondContact O-CB 3.13Å; R805-E809 VanDerWaalsContact O-CG 3.29Å; R805-E809 WeakPolarHBondContact O-CG 3.41Å; R805-E809 PolarHBondContact O-N 3.25Å
806	E	91.8	Very high	83.9	Confident	66 Å²	66	88.9 Å²	88.9	31%	0.308	46%	0.455	S	S	.	.	H	α-helix	trans	-59.4	-39.3	174.2	-76.4	169.8	-169.1	0	0	111	R802 K803 L804 L810	R802-E806 IonicContact NE-OE1 3.75Å; R802-E806 WeakPolarHBondContact O-CG 3.38Å; R802-E806 PolarHBondContact O-N 3.27Å; K803-E806 IonicContact NZ-OE2 3.98Å; K803-E806 PolarHBondContact NZ-OE2 2.75Å; K803-E806 PolarHBondContact O-N 2.73Å; L804-E806 PolarHBondContact O-N 3.49Å; E806-L810 WeakPolarHBondContact O-CB 2.89Å; E806-L810 WeakPolarHBondContact O-CD1 2.94Å; E806-L810 PolarHBondContact O-N 3.25Å; E806-L810 VanDerWaalsContact O-N 3.11Å
807	A	89.2	Confident	81.9	Confident	46 Å²	46	95.6 Å²	95.6	38%	0.38	48%	0.484	S	S	.	.	H	α-helix	trans	-69.2	-40.8	176.9	0	0	0	0	0	112.8	K803 L804 R805 L810 L811	K803-A807 WeakPolarHBondContact O-CB 2.83Å; K803-A807 PolarHBondContact O-N 2.84Å; L804-A807 WeakPolarHBondContact O-CB 3.33Å; L804-A807 PolarHBondContact O-N 3.22Å; L804-A807 VanDerWaalsContact O-N 3.15Å; R805-A807 VanDerWaalsContact C-N 3.26Å; R805-A807 PolarHBondContact O-N 3.13Å; A807-L810 WeakPolarHBondContact O-CB 3.43Å; A807-L810 PolarHBondContact O-N 2.87Å; A807-L811 WeakPolarHBondContact O-CG 2.99Å; A807-L811 PolarHBondContact O-N 3.17Å
808	D	89.3	Confident	79.4	Confident	91 Å²	91	97.4 Å²	97.4	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-43.5	175.8	-66.5	-21.7	0	0	0	111.4	L804 R805 L810 L811 E812	L804-D808 PolarHBondContact O-N 3.03Å; R805-D808 PolarHBondContact O-N 3.31Å; D808-L810 VanDerWaalsContact C-N 3.27Å; D808-L810 PolarHBondContact O-N 2.69Å; D808-L811 PolarHBondContact O-N 2.75Å; D808-E812 PolarHBondContact O-N 3.45Å
809	E	87	Confident	76.8	Confident	100 Å²	100	98 Å²	98	47%	0.467	51%	0.511	S	S	.	.	H	α-helix	trans	-60.8	-36.7	175.3	-74.2	171.4	-156.3	0	0	111.7	R805 S813	R805-E809 WeakPolarHBondContact CD-OE1 3.19Å; R805-E809 WeakPolarHBondContact CG-OE1 3.44Å; R805-E809 IonicContact CZ-OE1 3.31Å; R805-E809 IonicContact NE-OE1 2.67Å; R805-E809 PolarHBondContact NE-OE1 2.98Å; R805-E809 IonicContact NH2-OE1 2.93Å; R805-E809 WeakPolarHBondContact O-CB 3.13Å; R805-E809 VanDerWaalsContact O-CG 3.29Å; R805-E809 WeakPolarHBondContact O-CG 3.41Å; R805-E809 PolarHBondContact O-N 3.25Å; E809-S813 WeakPolarHBondContact O-CB 3.28Å; E809-S813 PolarHBondContact O-N 2.97Å; E809-S813 VanDerWaalsContact O-N 3.09Å; E809-S813 PolarHBondContact O-OG 2.82Å
810	L	85.2	Confident	74	Confident	104 Å²	104	105.3 Å²	105.3	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-66	-45	174.3	-96.2	145.2	0	0	0	111.6	E806 A807 D808 S813 E814	E806-L810 WeakPolarHBondContact O-CB 2.89Å; E806-L810 WeakPolarHBondContact O-CD1 2.94Å; E806-L810 PolarHBondContact O-N 3.25Å; E806-L810 VanDerWaalsContact O-N 3.11Å; A807-L810 WeakPolarHBondContact O-CB 3.43Å; A807-L810 PolarHBondContact O-N 2.87Å; D808-L810 VanDerWaalsContact C-N 3.27Å; D808-L810 PolarHBondContact O-N 2.69Å; L810-S813 PolarHBondContact O-N 2.92Å; L810-S813 PolarHBondContact O-OG 3.23Å; L810-E814 PolarHBondContact O-N 2.8Å; L810-E814 VanDerWaalsContact O-N 3.08Å
811	L	82.5	Confident	71.3	Confident	100 Å²	100	108.1 Å²	108.1	52%	0.524	56%	0.561	S	S	.	*	H	α-helix	trans	-63.9	-44.3	177.2	-71.8	167.7	0	0	0	112.2	A807 D808 S813 E814 D815	A807-L811 WeakPolarHBondContact O-CG 2.99Å; A807-L811 PolarHBondContact O-N 3.17Å; D808-L811 PolarHBondContact O-N 2.75Å; L811-S813 VanDerWaalsContact C-N 3.27Å; L811-S813 PolarHBondContact O-N 2.86Å; L811-E814 PolarHBondContact O-N 3.05Å; L811-D815 PolarHBondContact O-N 2.63Å
812	E	78	Confident	68.4	Low	147 Å²	147	108 Å²	108	69%	0.687	57%	0.572	S	S	*	*	H	α-helix	trans	-62.6	-34.2	175.7	-72.9	-176.4	176.4	0	0	112.2	D808 G816	D808-E812 PolarHBondContact O-N 3.45Å; E812-G816 PolarHBondContact O-N 2.93Å
813	S	71.4	Confident	65.6	Low	68 Å²	68	109.7 Å²	109.7	48%	0.476	59%	0.589	S	S	.	*	H	α-helix	trans	-71.4	-33.3	176.8	77.1	0	0	0	0	113.3	E809 L810 L811 H817	E809-S813 WeakPolarHBondContact O-CB 3.28Å; E809-S813 PolarHBondContact O-N 2.97Å; E809-S813 VanDerWaalsContact O-N 3.09Å; E809-S813 PolarHBondContact O-OG 2.82Å; L810-S813 PolarHBondContact O-N 2.92Å; L810-S813 PolarHBondContact O-OG 3.23Å; L811-S813 VanDerWaalsContact C-N 3.27Å; L811-S813 PolarHBondContact O-N 2.86Å; S813-H817 PolarHBondContact O-N 3.11Å
814	E	63.6	Low	62.8	Low	131 Å²	131	109.8 Å²	109.8	61%	0.612	61%	0.612	S	S	*	*	H	α-helix	trans	-71.1	-42.5	175	-73.5	-174.6	169.4	0	0	111.2	L810 L811 G816 H817 C818	L810-E814 PolarHBondContact O-N 2.8Å; L810-E814 VanDerWaalsContact O-N 3.08Å; L811-E814 PolarHBondContact O-N 3.05Å; E814-G816 VanDerWaalsContact C-N 3.34Å; E814-G816 PolarHBondContact O-N 2.88Å; E814-H817 PolarHBondContact O-N 2.89Å; E814-C818 PolarHBondContact O-N 3.03Å
815	D	57.4	Low	60	Low	126 Å²	126	111.5 Å²	111.5	67%	0.674	63%	0.626	S	S	*	*	H	α-helix	trans	-66.1	-36.7	174.2	-80.1	-21.7	0	0	0	111.9	L811 H817 C818	L811-D815 PolarHBondContact O-N 2.63Å; D815-H817 VanDerWaalsContact C-N 3.29Å; D815-H817 PolarHBondContact O-N 3.05Å; D815-C818 PolarHBondContact O-N 3.41Å
816	G	52	Low	57.2	Low	46 Å²	46	111.8 Å²	111.8	47%	0.474	64%	0.639	S	S	.	*	H	α-helix	trans	-64.7	-29	175.7	0	0	0	0	0	113.9	E812 E814	E812-G816 PolarHBondContact O-N 2.93Å; E814-G816 VanDerWaalsContact C-N 3.34Å; E814-G816 PolarHBondContact O-N 2.88Å
817	H	47	Very low	54.5	Low	149 Å²	149	115.3 Å²	115.3	69%	0.69	66%	0.66	S	S	*	*	H	α-helix	trans	-81.2	-22.4	176.2	-109.5	-39.4	0	0	0	113.6	S813 E814 D815 A819	S813-H817 PolarHBondContact O-N 3.11Å; E814-H817 PolarHBondContact O-N 2.89Å; D815-H817 VanDerWaalsContact C-N 3.29Å; D815-H817 PolarHBondContact O-N 3.05Å; H817-A819 VanDerWaalsContact C-N 3.28Å; H817-A819 PolarHBondContact O-N 2.97Å
818	C	39.1	Very low	51.9	Low	117 Å²	117	122.4 Å²	122.4	79%	0.791	68%	0.678	S	S	*	*	H	α-helix	trans	-73.1	-20.9	174	-152.6	0	0	0	0	112.6	E814 D815	E814-C818 PolarHBondContact O-N 3.03Å; D815-C818 PolarHBondContact O-N 3.41Å
819	A	37.7	Very low	49.3	Very low	84 Å²	84	125.1 Å²	125.1	69%	0.694	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-6.8	-179.3	0	0	0	0	0	115.1	H817	H817-A819 VanDerWaalsContact C-N 3.28Å; H817-A819 PolarHBondContact O-N 2.97Å
820	K	34.3	Very low	46.7	Very low	171 Å²	171	130.8 Å²	130.8	74%	0.743	71%	0.71	S	S	*	*	S	Bend	trans	-144.6	70.3	-176.5	-71.5	-172.2	-179.7	175.4	0	113.3
821	T	32.9	Very low	44.3	Very low	116 Å²	116	132.9 Å²	132.9	71%	0.712	72%	0.721	S	S	*	*			trans	-173.1	94.5	142.4	40.5	0	0	0	0	108.2	D823	T821-D823 VanDerWaalsContact C-N 3.29Å
822	N	32.1	Very low	41.9	Very low	168 Å²	168	134.4 Å²	134.4	90%	0.898	73%	0.728	S	S	*	*	S	Bend	trans	-96.3	15.2	160.3	-135.2	12.5	0	0	0	111.3
823	D	34.5	Very low	39.7	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	73%	0.733	S	S	*	*	S	Bend	trans	-134	118.4	179.2	-69.7	-44.1	0	0	0	109.5	T821	T821-D823 VanDerWaalsContact C-N 3.29Å
824	G	31.3	Very low	37.9	Very low	78 Å²	78	139.7 Å²	139.7	80%	0.804	75%	0.75	S	S	*	*			trans	99.3	49.5	164.7	0	0	0	0	0	116.8	D826	G824-D826 PolarHBondContact O-N 3.13Å
825	V	32.1	Very low	36.4	Very low	135 Å²	135	142.2 Å²	142.2	82%	0.818	76%	0.762	S	S	*	*			trans	-64.4	110.7	155.7	179.4	0	0	0	0	106.7
826	D	33.1	Very low	35	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	77%	0.765	S	S	*	*	S	Bend	trans	-179.7	-5.9	141.3	-92.2	-16.6	0	0	0	117.6	G824	G824-D826 PolarHBondContact O-N 3.13Å
827	D	35.8	Very low	34.1	Very low	140 Å²	140	145 Å²	145	75%	0.749	78%	0.778	S	S	*	*	S	Bend	trans	-111	1.7	-170.8	-134	4.7	0	0	0	117.6
828	Y	33.3	Very low	33.1	Very low	196 Å²	196	148 Å²	148	77%	0.769	79%	0.789	S	S	*	*	S	Bend	trans	-91.8	-25.1	-175.9	-152.4	-101	0	0	0	114.7	R830	Y828-R830 VanDerWaalsContact C-N 3.28Å; Y828-R830 PolarHBondContact O-N 2.91Å
829	N	34.7	Very low	32.6	Very low	148 Å²	148	149.6 Å²	149.6	79%	0.791	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-2.5	-174.4	-79.1	-28	0	0	0	114.9
830	R	33.9	Very low	32.3	Very low	219 Å²	219	152.9 Å²	152.9	83%	0.826	83%	0.833	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-14.9	-177.1	-146.3	173.7	-177	176.2	1	114.6	Y828	Y828-R830 VanDerWaalsContact C-N 3.28Å; Y828-R830 PolarHBondContact O-N 2.91Å
831	L	33.8	Very low	32.2	Very low	148 Å²	148	151.9 Å²	151.9	78%	0.775	84%	0.837	S	S	*	*	S	Bend	trans	-93.8	-13	-173.5	-88.8	152.9	0	0	0	115.3
832	L	31.9	Very low	32.2	Very low	131 Å²	131	153.9 Å²	153.9	69%	0.686	84%	0.844	S	S	*	*	G	3₁₀ helix	trans	-87.4	-13.7	-175.8	-82.3	161.7	0	0	0	115
833	N	32.9	Very low	32.2	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	84%	0.841	S	S	*	*	G	3₁₀ helix	trans	-89.1	1.3	-174.9	-89.8	-10.1	0	0	0	116.1
834	E	32.9	Very low	32	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	84%	0.843	S	S	*	*	G	3₁₀ helix	trans	-109.7	-0.3	-177.5	-74.2	-168.8	167.3	0	0	116.2
835	Q	31.3	Very low	32.1	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.864	85%	0.846	S	S	*	*	S	Bend	trans	-106.4	5.5	-178	-73.4	-164.8	-8.5	0	0	116.5	V837	Q835-V837 VanDerWaalsContact C-N 3.31Å; Q835-V837 PolarHBondContact O-N 3.42Å
836	S	29.2	Very low	32.1	Very low	104 Å²	104	159.9 Å²	159.9	73%	0.727	85%	0.848	S	S	*	*	S	Bend	trans	-83.5	4.3	179.9	61.7	0	0	0	0	115.4
837	V	31.6	Very low	32	Very low	125 Å²	125	160.5 Å²	160.5	76%	0.758	85%	0.85	S	S	*	*	S	Bend	trans	-124.2	75	-177.6	-168.9	0	0	0	0	111.1	Q835	Q835-V837 VanDerWaalsContact C-N 3.31Å; Q835-V837 PolarHBondContact O-N 3.42Å
838	K	26.6	Very low	31.7	Very low	213 Å²	213	162.2 Å²	162.2	93%	0.926	86%	0.858	S	S	*	*			trans	177	85.2	155.9	-98.5	159.8	-171.2	-177.8	0	109
839	G	28	Very low	31.5	Very low	151 Å²	151	159.1 Å²	159.1	100%	1.557	87%	0.867	S	S	*	*			trans	-125.2	0	168.8	0	0	0	0	0	109.8

Retrieved 839 of 839 residues in 1294.1 ms (Link to these results)

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