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Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase

Bifunctional inositol kinase that acts in concert with the IP6K kinases to synthesize the diphosphate group-containing inositol pyrophosphates diphosphoinositol pentakisphosphate, PP-InsP5, and bis-diphosphoinositol tetrakisphosphate, (PP)2-InsP4. PP-InsP5 and (PP)2-InsP4, also respectively called InsP7 and InsP8, may regulate a variety of cellular processes, including apoptosis, vesicle trafficking, cytoskeletal dynamics, and exocytosis. Phosphorylates inositol hexakisphosphate (InsP6) at position 1 to produce PP-InsP5 which is in turn phosphorylated by IP6Ks to produce (PP)2-InsP4. Alternatively, phosphorylates PP-InsP5 at position 1, produced by IP6Ks from InsP6, to produce (PP)2-InsP4.

AlphaFold DB , UniProt , Accession A0A077Z5I1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 901 aa.

						>A0A077Z5I1_TRITR|A0A077Z5I1
MHKKVRSKPMREILTRMRDYYGDKLDIVVFDEQMIISQPVEEWPLCDCFISFHSHGFPISKAIEYIHMRNPYVINDLERQYDLLSRIKVYKILERAYIELPRYTVLLRESENPKCTLIEHEDAIEVNGVNFNKPFVEKPISAEDHNIYIYYPSSAGGGSQRLFRKVDNRSSIYSPESRVRKEGSYIYEEFMPTDGTDVKVYAVGPDYAHAEARKSPALDGKVERDSDGKEIRYPVILSSREKLIARKIVWAFRQTVCGFDLLRANGRSFVCDVNGFSFVKTSTRYYEDSAKILGNMILRYLAPTLHIPWVRPFQLDDPPLVATTYGTVMELRCVLAIIRHGDRTPKQKLKMEVRHQKFFNLFSKYNGFTKSELKLKRPAQLQEVLDIVRHLLSLIRNGSEKTGCITEQRSKLEQIKTVLEMHGHFSGINRKVQMKYQERSKCSRRGSGDLPAEMLQGPCLLVIVKWGGELTNAGKIQAEELGKHGNFKSVLYNAHCFFFLTGLGFLRLHSTYRHDLKMYASEEGRVQMTAAAFAKGLLALEGQLPPILVQMVKSANTDGLLDDDKDARMYQTKVKAFLHSFLQQDKELTPEDIEKINPTKSTTIQNALRFIRNPRRMCCKIYDMVKKMFDIIKIRRNKSKCDTLYMGETWDLIERRWGKLVKDFRYSKGNIHVFDISKIPDIYDCIKYDLEHNVGILLAIEHMEELYVCSKHMADIVVFQEYGIAAEEKVLIAEGICTPLIRKLRSDLSRCIDGIAEEENATRLDPSKASKDIATPLRHVRTRLYFTSESHIHSLMNLVQFGTLLEPPFDKQWENALKFLSSVTEYNYMAQMVLMLYEDTAKDPRAEDRFHVELHFSPGALPCIQTTHVAGLGYRLVTFLPDCVECILLCATKTQGKPKQR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66.5	Low	82.4	Confident	44 Å²	44	77.2 Å²	77.2	22%	0.217	34%	0.341	C	S	.	.				0	-43.7	0	153.8	-173.2	58.8	0	0	112.3	K3 K4 E32 I35 F57	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.45Å; M1-K4 PolarHBondContact O-N 2.98Å; M1-E32 WeakPolarHBondContact CA-OE1 3.43Å; M1-E32 WeakPolarHBondContact CB-OE1 3.49Å; M1-E32 HydrophobicContact CE-CB 3.67Å; M1-E32 HydrophobicContact CE-CG 3.45Å; M1-E32 VanDerWaalsContact CE-CG 3.45Å; M1-E32 PolarHBondContact N-OE1 3.32Å; M1-I35 HydrophobicContact CE-CB 4.1Å; M1-I35 HydrophobicContact CE-CD1 3.62Å; M1-I35 HydrophobicContact CE-CG1 4.47Å; M1-I35 HydrophobicContact CE-CG2 4.05Å; M1-I35 HydrophobicContact SD-CD1 3.68Å; M1-I35 HydrophobicContact SD-CG2 4.46Å; M1-F57 HydrophobicContact CB-CD2 4.41Å; M1-F57 HydrophobicContact CE-CD2 4.27Å; M1-F57 HydrophobicContact CG-CD2 4.18Å; M1-F57 HydrophobicContact SD-CD2 3.2Å; M1-F57 WeakPolarHBondContact SD-CD2 3.25Å; M1-F57 HydrophobicContact SD-CE2 3.37Å; M1-F57 WeakPolarHBondContact SD-CE2 3.43Å; M1-F57 HydrophobicContact SD-CG 4.35Å
2	H	75.2	Confident	83.3	Confident	68 Å²	68	74.6 Å²	74.6	32%	0.315	33%	0.331	S	S	.	.	H	α-helix	trans	-51.2	-39.1	-175.1	-176.5	-83.8	0	0	0	116.5	K4 V5 R6 E32	H2-K4 PolarHBondContact O-N 3.15Å; H2-K4 VanDerWaalsContact O-N 3.15Å; H2-V5 PolarHBondContact O-N 3.43Å; H2-R6 WeakPolarHBondContact CE1-CD 3.42Å; H2-R6 PolarHBondContact CE1-NE 2.84Å; H2-R6 PolarHBondContact CE1-NH1 2.81Å; H2-R6 VanDerWaalsContact CE1-NH1 3.28Å; H2-R6 PolarHBondContact NE2-NE 2.92Å; H2-R6 VanDerWaalsContact NE2-NE 3.11Å; H2-R6 PolarHBondContact NE2-NH1 2.9Å; H2-R6 PolarHBondContact NE2-NH2 3.48Å; H2-R6 WeakPolarHBondContact O-CB 2.93Å; H2-R6 PolarHBondContact O-N 3.39Å; H2-E32 WeakPolarHBondContact CB-OE2 3.2Å; H2-E32 IonicContact CG-OE2 2.68Å; H2-E32 PolarHBondContact N-OE1 3.13Å; H2-E32 VanDerWaalsContact N-OE1 3.1Å
3	K	78.2	Confident	83.9	Confident	194 Å²	194	69.1 Å²	69.1	84%	0.843	31%	0.307	S	S	*	.	H	α-helix	trans	-54.4	-34.3	175.8	-71.9	-176.2	179.4	176.9	0	113.7	M1 S7	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.45Å; K3-S7 WeakPolarHBondContact O-CB 3.44Å; K3-S7 PolarHBondContact O-N 3.04Å
4	K	76.8	Confident	84.5	Confident	66 Å²	66	66.1 Å²	66.1	29%	0.287	30%	0.295	S	S	.	.	H	α-helix	trans	-81.8	-41.5	-176.6	-165.9	168.6	167.2	-170.1	0	111.2	M1 H2 S7 F52 F276	M1-K4 PolarHBondContact O-N 2.98Å; H2-K4 PolarHBondContact O-N 3.15Å; H2-K4 VanDerWaalsContact O-N 3.15Å; K4-S7 WeakPolarHBondContact O-CB 3.38Å; K4-S7 PolarHBondContact O-N 2.78Å; K4-S7 PolarHBondContact O-OG 3.4Å; K4-F52 HydrophobicContact CB-CE2 4.03Å; K4-F52 HydrophobicContact CD-CD2 3.78Å; K4-F52 HydrophobicContact CD-CE2 3.34Å; K4-F52 HydrophobicContact CD-CZ 4.26Å; K4-F52 VanDerWaalsContact CE-CE2 3.42Å; K4-F52 HydrophobicContact CG-CD2 4.44Å; K4-F52 HydrophobicContact CG-CE2 3.52Å; K4-F52 HydrophobicContact CG-CZ 4.02Å; K4-F276 VanDerWaalsContact CE-O 3.32Å; K4-F276 WeakPolarHBondContact CE-O 3.42Å; K4-F276 PolarHBondContact NZ-O 3.01Å
5	V	79.7	Confident	85	Confident	35 Å²	35	66.6 Å²	66.6	21%	0.212	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-40.1	175.8	-179.5	0	0	0	0	111.6	H2 S7 M10 V29 F52	H2-V5 PolarHBondContact O-N 3.43Å; V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 2.94Å; V5-M10 WeakPolarHBondContact O-CB 3.33Å; V5-M10 WeakPolarHBondContact O-CG 3.47Å; V5-V29 HydrophobicContact CG1-CG1 3.59Å; V5-F52 HydrophobicContact CG2-CZ 4.28Å
6	R	84.4	Confident	85.5	Confident	151 Å²	151	64.9 Å²	64.9	57%	0.57	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	3.6	175.6	-62.4	-158.5	-178.8	174.6	0.6	114.2	H2 R11	H2-R6 WeakPolarHBondContact CE1-CD 3.42Å; H2-R6 PolarHBondContact CE1-NE 2.84Å; H2-R6 PolarHBondContact CE1-NH1 2.81Å; H2-R6 VanDerWaalsContact CE1-NH1 3.28Å; H2-R6 PolarHBondContact NE2-NE 2.92Å; H2-R6 VanDerWaalsContact NE2-NE 3.11Å; H2-R6 PolarHBondContact NE2-NH1 2.9Å; H2-R6 PolarHBondContact NE2-NH2 3.48Å; H2-R6 WeakPolarHBondContact O-CB 2.93Å; H2-R6 PolarHBondContact O-N 3.39Å; R6-R11 PolarHBondContact O-NE 2.75Å
7	S	87.1	Confident	85.8	Confident	30 Å²	30	61.5 Å²	61.5	21%	0.21	28%	0.28	C	S	.	.	S	Bend	trans	-60.1	147.6	178.2	72.2	0	0	0	0	110.5	K3 K4 V5 P9 M10 R11	K3-S7 WeakPolarHBondContact O-CB 3.44Å; K3-S7 PolarHBondContact O-N 3.04Å; K4-S7 WeakPolarHBondContact O-CB 3.38Å; K4-S7 PolarHBondContact O-N 2.78Å; K4-S7 PolarHBondContact O-OG 3.4Å; V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 2.94Å; S7-P9 VanDerWaalsContact C-N 3.34Å; S7-M10 PolarHBondContact O-N 3.21Å; S7-R11 PolarHBondContact O-N 3.33Å
8	K	87.5	Confident	86.1	Confident	109 Å²	109	65.1 Å²	65.1	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-50.2	-49.6	178.6	-179.5	179	-179	176.8	0	111.8	M10 R11 E12	K8-M10 PolarHBondContact O-N 3.22Å; K8-R11 PolarHBondContact O-N 3.22Å; K8-E12 HydrophobicContact CG-CG 3.95Å; K8-E12 WeakPolarHBondContact O-CB 3.08Å; K8-E12 WeakPolarHBondContact O-CG 3.36Å; K8-E12 PolarHBondContact O-N 3.39Å
9	P	89.5	Confident	86.2	Confident	14 Å²	14	67.7 Å²	67.7	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-56	-45.8	179.4	-27.6	37.1	0	0	0	114	S7 E12 I13 F278 V279 Y286	S7-P9 VanDerWaalsContact C-N 3.34Å; P9-E12 PolarHBondContact O-N 3.19Å; P9-I13 WeakPolarHBondContact O-CG1 3.31Å; P9-I13 PolarHBondContact O-N 2.83Å; P9-F278 HydrophobicContact CB-CB 3.64Å; P9-F278 HydrophobicContact CB-CG 4.03Å; P9-F278 HydrophobicContact CG-CB 4.35Å; P9-V279 WeakPolarHBondContact CB-O 3.41Å; P9-V279 WeakPolarHBondContact CG-O 3.18Å; P9-Y286 HydrophobicContact CB-CD1 4.48Å; P9-Y286 HydrophobicContact CB-CE1 3.63Å; P9-Y286 HydrophobicContact CG-CE1 4.31Å
10	M	90.3	Very high	86.2	Confident	13 Å²	13	68.4 Å²	68.4	6%	0.064	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-43.3	-178	-171.2	59.9	177.3	0	0	111.2	V5 S7 K8 E12 I13 L14 I50 F278	V5-M10 WeakPolarHBondContact O-CB 3.33Å; V5-M10 WeakPolarHBondContact O-CG 3.47Å; S7-M10 PolarHBondContact O-N 3.21Å; K8-M10 PolarHBondContact O-N 3.22Å; M10-E12 VanDerWaalsContact C-N 3.35Å; M10-E12 PolarHBondContact O-N 3.5Å; M10-I13 PolarHBondContact O-N 3.23Å; M10-L14 HydrophobicContact CE-CD1 3.98Å; M10-L14 HydrophobicContact CE-CD2 3.81Å; M10-L14 HydrophobicContact CE-CG 3.93Å; M10-L14 HydrophobicContact CG-CD1 4.12Å; M10-L14 HydrophobicContact CG-CG 4.31Å; M10-L14 WeakPolarHBondContact O-CB 3.38Å; M10-L14 VanDerWaalsContact O-CG 3.31Å; M10-L14 WeakPolarHBondContact O-CG 3.47Å; M10-L14 PolarHBondContact O-N 2.94Å; M10-L14 HydrophobicContact SD-CG 4.32Å; M10-I50 HydrophobicContact CE-CG2 4.43Å; M10-F278 HydrophobicContact CB-CZ 4.31Å; M10-F278 HydrophobicContact CG-CZ 4.38Å; M10-F278 HydrophobicContact SD-CE1 3.77Å; M10-F278 HydrophobicContact SD-CE2 4.3Å; M10-F278 HydrophobicContact SD-CZ 3.34Å; M10-F278 WeakPolarHBondContact SD-CZ 3.31Å
11	R	91.4	Very high	86.3	Confident	125 Å²	125	65.9 Å²	65.9	47%	0.472	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-45.1	175	-71.2	-171.6	-66.5	106.7	-4.6	111.8	R6 S7 K8 I13 L14 T15	R6-R11 PolarHBondContact O-NE 2.75Å; S7-R11 PolarHBondContact O-N 3.33Å; K8-R11 PolarHBondContact O-N 3.22Å; R11-I13 VanDerWaalsContact C-N 3.31Å; R11-I13 PolarHBondContact O-N 3.24Å; R11-L14 PolarHBondContact O-N 3.14Å; R11-T15 VanDerWaalsContact O-CB 3.3Å; R11-T15 WeakPolarHBondContact O-CB 3.43Å; R11-T15 PolarHBondContact O-N 3.12Å; R11-T15 PolarHBondContact O-OG1 3.21Å
12	E	93	Very high	87.3	Confident	46 Å²	46	65.7 Å²	65.7	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-38.8	179.4	-67.5	-78.2	155.5	0	0	112.2	K8 P9 M10 R16 Y286	K8-E12 HydrophobicContact CG-CG 3.95Å; K8-E12 WeakPolarHBondContact O-CB 3.08Å; K8-E12 WeakPolarHBondContact O-CG 3.36Å; K8-E12 PolarHBondContact O-N 3.39Å; P9-E12 PolarHBondContact O-N 3.19Å; M10-E12 VanDerWaalsContact C-N 3.35Å; M10-E12 PolarHBondContact O-N 3.5Å; E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.45Å; E12-R16 PolarHBondContact O-N 3.47Å; E12-R16 PolarHBondContact O-NH1 3.15Å; E12-R16 IonicContact OE2-CZ 2.59Å; E12-R16 VanDerWaalsContact OE2-CZ 3.29Å; E12-R16 IonicContact OE2-NH1 3.43Å; E12-R16 PolarHBondContact OE2-NH1 2.89Å; E12-R16 IonicContact OE2-NH2 3.75Å; E12-R16 PolarHBondContact OE2-NH2 3.33Å; E12-Y286 HydrophobicContact CB-CD2 3.44Å; E12-Y286 VanDerWaalsContact CB-CD2 3.44Å; E12-Y286 HydrophobicContact CB-CE2 3.97Å; E12-Y286 HydrophobicContact CB-CG 3.81Å; E12-Y286 HydrophobicContact CG-CD2 3.88Å; E12-Y286 HydrophobicContact CG-CE2 3.99Å
13	I	91.5	Very high	87.9	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-69.4	-49.2	175.8	-69	166.5	0	0	0	110.8	P9 M10 R11 R16 M17 F278 Y285 Y286 A290 L293	P9-I13 WeakPolarHBondContact O-CG1 3.31Å; P9-I13 PolarHBondContact O-N 2.83Å; M10-I13 PolarHBondContact O-N 3.23Å; R11-I13 VanDerWaalsContact C-N 3.31Å; R11-I13 PolarHBondContact O-N 3.24Å; I13-R16 PolarHBondContact O-N 2.93Å; I13-M17 WeakPolarHBondContact O-CB 3.44Å; I13-M17 PolarHBondContact O-N 3.42Å; I13-F278 HydrophobicContact CD1-CD1 3.4Å; I13-F278 VanDerWaalsContact CD1-CD1 3.4Å; I13-F278 HydrophobicContact CD1-CE1 3.54Å; I13-Y285 HydrophobicContact CD1-CE1 4.3Å; I13-Y286 HydrophobicContact CD1-CD1 4.03Å; I13-Y286 HydrophobicContact CG1-CD1 3.84Å; I13-Y286 HydrophobicContact CG1-CG 4.18Å; I13-A290 HydrophobicContact CG2-CB 4.28Å; I13-L293 HydrophobicContact CG2-CD1 4.35Å
14	L	91.9	Very high	88.3	Confident	27 Å²	27	62.1 Å²	62.1	14%	0.141	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-42.3	-178.1	-68.7	-178.3	0	0	0	112.2	M10 R11 M17 R18 I27 V29	M10-L14 HydrophobicContact CE-CD1 3.98Å; M10-L14 HydrophobicContact CE-CD2 3.81Å; M10-L14 HydrophobicContact CE-CG 3.93Å; M10-L14 HydrophobicContact CG-CD1 4.12Å; M10-L14 HydrophobicContact CG-CG 4.31Å; M10-L14 WeakPolarHBondContact O-CB 3.38Å; M10-L14 VanDerWaalsContact O-CG 3.31Å; M10-L14 WeakPolarHBondContact O-CG 3.47Å; M10-L14 PolarHBondContact O-N 2.94Å; M10-L14 HydrophobicContact SD-CG 4.32Å; R11-L14 PolarHBondContact O-N 3.14Å; L14-M17 HydrophobicContact CD2-CE 3.85Å; L14-M17 PolarHBondContact O-N 2.9Å; L14-R18 PolarHBondContact O-N 2.91Å; L14-I27 HydrophobicContact CB-CD1 4.42Å; L14-I27 HydrophobicContact CD1-CG2 4.34Å; L14-I27 HydrophobicContact CD2-CD1 4.28Å; L14-I27 HydrophobicContact CD2-CG2 4.02Å; L14-I27 WeakPolarHBondContact O-CD1 3.22Å; L14-V29 HydrophobicContact CD1-CG2 4.37Å
15	T	92.7	Very high	88.9	Confident	74 Å²	74	60.1 Å²	60.1	45%	0.454	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-49.4	175.3	-64.3	0	0	0	0	110.4	R11 M17 R18 D19	R11-T15 VanDerWaalsContact O-CB 3.3Å; R11-T15 WeakPolarHBondContact O-CB 3.43Å; R11-T15 PolarHBondContact O-N 3.12Å; R11-T15 PolarHBondContact O-OG1 3.21Å; T15-M17 VanDerWaalsContact C-N 3.32Å; T15-M17 PolarHBondContact O-N 3.34Å; T15-R18 CarbonylContact O-C 3.59Å; T15-R18 WeakPolarHBondContact O-CB 3.49Å; T15-R18 PolarHBondContact O-N 2.88Å; T15-R18 VanDerWaalsContact O-N 3.14Å; T15-D19 PolarHBondContact O-N 2.88Å
16	R	91.8	Very high	89.5	Confident	40 Å²	40	65 Å²	65	15%	0.151	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-36.8	177.2	-76.4	172.1	-178.5	70.1	-1	113.1	E12 I13 R18 D19 Y20 A290	E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.45Å; E12-R16 PolarHBondContact O-N 3.47Å; E12-R16 PolarHBondContact O-NH1 3.15Å; E12-R16 IonicContact OE2-CZ 2.59Å; E12-R16 VanDerWaalsContact OE2-CZ 3.29Å; E12-R16 IonicContact OE2-NH1 3.43Å; E12-R16 PolarHBondContact OE2-NH1 2.89Å; E12-R16 IonicContact OE2-NH2 3.75Å; E12-R16 PolarHBondContact OE2-NH2 3.33Å; I13-R16 PolarHBondContact O-N 2.93Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 3.33Å; R16-D19 PolarHBondContact O-N 3.29Å; R16-Y20 HydrophobicContact CB-CD2 4.4Å; R16-Y20 HydrophobicContact CB-CE2 3.93Å; R16-Y20 WeakPolarHBondContact O-CB 3.46Å; R16-Y20 WeakPolarHBondContact O-CD2 3.49Å; R16-Y20 PolarHBondContact O-N 3.49Å; R16-A290 HydrophobicContact CB-CB 3.74Å
17	M	90.4	Very high	89.9	Confident	6 Å²	6	59 Å²	59	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-39.1	176.4	-167.6	169.5	69.7	0	0	110.8	I13 L14 T15 Y21 L25 I27 A290 L293 I297	I13-M17 WeakPolarHBondContact O-CB 3.44Å; I13-M17 PolarHBondContact O-N 3.42Å; L14-M17 HydrophobicContact CD2-CE 3.85Å; L14-M17 PolarHBondContact O-N 2.9Å; T15-M17 VanDerWaalsContact C-N 3.32Å; T15-M17 PolarHBondContact O-N 3.34Å; M17-Y21 HydrophobicContact CG-CD2 4.15Å; M17-Y21 WeakPolarHBondContact O-CB 3.28Å; M17-Y21 WeakPolarHBondContact O-CD2 3.45Å; M17-Y21 PolarHBondContact O-N 2.69Å; M17-L25 HydrophobicContact CG-CD1 4.32Å; M17-I27 HydrophobicContact CB-CD1 4.27Å; M17-I27 HydrophobicContact CE-CD1 3.43Å; M17-I27 VanDerWaalsContact CE-CD1 3.43Å; M17-I27 HydrophobicContact CE-CG1 3.9Å; M17-A290 HydrophobicContact CB-CB 4.2Å; M17-L293 HydrophobicContact SD-CB 4.3Å; M17-I297 HydrophobicContact SD-CD1 4.37Å
18	R	91.2	Very high	90.1	Very high	127 Å²	127	61 Å²	61	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-39.3	170.6	-173.6	-179.7	-72.1	163.6	-4.8	112.1	L14 T15 R16 Y20 G22 I27	L14-R18 PolarHBondContact O-N 2.91Å; T15-R18 CarbonylContact O-C 3.59Å; T15-R18 WeakPolarHBondContact O-CB 3.49Å; T15-R18 PolarHBondContact O-N 2.88Å; T15-R18 VanDerWaalsContact O-N 3.14Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 3.33Å; R18-Y20 VanDerWaalsContact C-N 3.32Å; R18-Y20 PolarHBondContact O-N 3.37Å; R18-G22 WeakPolarHBondContact O-CA 3.48Å; R18-G22 PolarHBondContact O-N 2.83Å; R18-I27 HydrophobicContact CB-CD1 4.17Å; R18-I27 PolarHBondContact NH2-O 2.83Å
19	D	89.1	Confident	90.3	Very high	114 Å²	114	59.8 Å²	59.8	61%	0.61	30%	0.304	S	S	*	.	H	α-helix	trans	-65.3	-37.4	177.8	-60.1	-25.9	0	0	0	111.7	T15 R16	T15-D19 PolarHBondContact O-N 2.88Å; R16-D19 PolarHBondContact O-N 3.29Å
20	Y	86	Confident	90.4	Very high	82 Å²	82	60.6 Å²	60.6	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-83.7	-30.6	-178.1	-61.2	-30.7	0	0	0	114.2	R16 R18 A290 K291	R16-Y20 HydrophobicContact CB-CD2 4.4Å; R16-Y20 HydrophobicContact CB-CE2 3.93Å; R16-Y20 WeakPolarHBondContact O-CB 3.46Å; R16-Y20 WeakPolarHBondContact O-CD2 3.49Å; R16-Y20 PolarHBondContact O-N 3.49Å; R18-Y20 VanDerWaalsContact C-N 3.32Å; R18-Y20 PolarHBondContact O-N 3.37Å; Y20-A290 HydrophobicContact CD2-CB 4.27Å; Y20-A290 HydrophobicContact CE2-CB 4.19Å; Y20-K291 HydrophobicContact CD2-CG 3.66Å; Y20-K291 HydrophobicContact CE2-CD 4.23Å; Y20-K291 HydrophobicContact CE2-CG 3.58Å
21	Y	89.1	Confident	90.3	Very high	15 Å²	15	63.6 Å²	63.6	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-137.1	12.2	-168.9	-53.5	-75.3	0	0	0	113.4	M17 D23 K24 L25 K291 N295 L298	M17-Y21 HydrophobicContact CG-CD2 4.15Å; M17-Y21 WeakPolarHBondContact O-CB 3.28Å; M17-Y21 WeakPolarHBondContact O-CD2 3.45Å; M17-Y21 PolarHBondContact O-N 2.69Å; Y21-D23 PolarHBondContact O-N 2.95Å; Y21-D23 VanDerWaalsContact O-N 3.11Å; Y21-K24 CarbonylContact O-C 3.51Å; Y21-K24 WeakPolarHBondContact O-CA 3.33Å; Y21-K24 PolarHBondContact O-N 2.68Å; Y21-L25 HydrophobicContact CD2-CD1 4.43Å; Y21-L25 HydrophobicContact CG-CD1 4.2Å; Y21-L25 PolarHBondContact O-N 3.24Å; Y21-K291 PolarHBondContact OH-O 2.73Å; Y21-N295 PolarHBondContact OH-ND2 3.3Å; Y21-N295 PolarHBondContact OH-OD1 2.86Å; Y21-L298 HydrophobicContact CD1-CD1 3.39Å; Y21-L298 HydrophobicContact CE1-CD1 3.92Å; Y21-L298 HydrophobicContact CG-CD1 4.03Å
22	G	86.6	Confident	90.2	Very high	41 Å²	41	60.6 Å²	60.6	42%	0.423	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.8	-175.3	0	0	0	0	0	114.6	R18	R18-G22 WeakPolarHBondContact O-CA 3.48Å; R18-G22 PolarHBondContact O-N 2.83Å
23	D	86.9	Confident	90	Very high	119 Å²	119	65.6 Å²	65.6	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.7	168.9	65.6	-43	0	0	0	113.1	Y21	Y21-D23 PolarHBondContact O-N 2.95Å; Y21-D23 VanDerWaalsContact O-N 3.11Å
24	K	87.1	Confident	90	Very high	67 Å²	67	66.6 Å²	66.6	29%	0.291	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-23.8	-176	-58.7	-179.3	-173	74.3	0	114.3	Y21 L298 I307 W309	Y21-K24 CarbonylContact O-C 3.51Å; Y21-K24 WeakPolarHBondContact O-CA 3.33Å; Y21-K24 PolarHBondContact O-N 2.68Å; K24-L298 HydrophobicContact CB-CD1 4.48Å; K24-L298 HydrophobicContact CB-CD2 3.88Å; K24-L298 HydrophobicContact CD-CD1 4.17Å; K24-L298 HydrophobicContact CD-CD2 4.28Å; K24-I307 HydrophobicContact CB-CG2 4.37Å; K24-I307 HydrophobicContact CD-CG2 4.11Å; K24-I307 HydrophobicContact CG-CG2 4.17Å; K24-W309 HydrophobicContact CD-CB 4.27Å; K24-W309 HydrophobicContact CD-CG 4.38Å
25	L	90	Very high	90	Very high	25 Å²	25	65.8 Å²	65.8	13%	0.131	34%	0.338	C	S	.	.			trans	-122.6	114.9	-175.9	-63.2	-176.9	0	0	0	109.4	M17 Y21 I297 L298	M17-L25 HydrophobicContact CG-CD1 4.32Å; Y21-L25 HydrophobicContact CD2-CD1 4.43Å; Y21-L25 HydrophobicContact CG-CD1 4.2Å; Y21-L25 PolarHBondContact O-N 3.24Å; L25-I297 HydrophobicContact CD2-CG2 3.84Å; L25-L298 HydrophobicContact CD1-CD1 4.44Å; L25-L298 HydrophobicContact CD1-CG 4.29Å; L25-L298 HydrophobicContact CD2-CD2 3.68Å; L25-L298 HydrophobicContact CD2-CG 4.07Å; L25-L298 HydrophobicContact CG-CD1 4.45Å; L25-L298 HydrophobicContact CG-CD2 4.08Å; L25-L298 HydrophobicContact CG-CG 4.22Å
26	D	91.8	Very high	89.8	Confident	137 Å²	137	66.9 Å²	66.9	73%	0.733	34%	0.34	S	S	*	.			trans	-92.8	139.9	163.6	-169.2	20.1	0	0	0	110.3
27	I	92.2	Very high	89.8	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.128	37%	0.365	C	S	.	.			trans	-116.9	107.6	-174	-57.4	172.1	0	0	0	108.5	L14 M17 R18	L14-I27 HydrophobicContact CB-CD1 4.42Å; L14-I27 HydrophobicContact CD1-CG2 4.34Å; L14-I27 HydrophobicContact CD2-CD1 4.28Å; L14-I27 HydrophobicContact CD2-CG2 4.02Å; L14-I27 WeakPolarHBondContact O-CD1 3.22Å; M17-I27 HydrophobicContact CB-CD1 4.27Å; M17-I27 HydrophobicContact CE-CD1 3.43Å; M17-I27 VanDerWaalsContact CE-CD1 3.43Å; M17-I27 HydrophobicContact CE-CG1 3.9Å; R18-I27 HydrophobicContact CB-CD1 4.17Å; R18-I27 PolarHBondContact NH2-O 2.83Å
28	V	92.3	Very high	90	Very high	72 Å²	72	73 Å²	73	44%	0.436	38%	0.381	S	S	.	.			trans	-99.2	123	175.7	-173.9	0	0	0	0	109.6	F30 P44	V28-F30 HydrophobicContact CB-CE1 4.5Å; V28-F30 HydrophobicContact CG1-CD1 4.12Å; V28-F30 HydrophobicContact CG1-CE1 4.2Å; V28-P44 HydrophobicContact CG1-CB 4.19Å; V28-P44 HydrophobicContact CG1-CG 4.29Å
29	V	91.5	Very high	90.2	Very high	84 Å²	84	69.8 Å²	69.8	51%	0.509	38%	0.377	S	S	.	.			trans	-98	115.9	172.8	177.4	0	0	0	0	108.5	V5 L14	V5-V29 HydrophobicContact CG1-CG1 3.59Å; L14-V29 HydrophobicContact CD1-CG2 4.37Å
30	F	91.5	Very high	90.4	Very high	31 Å²	31	64.4 Å²	64.4	14%	0.136	35%	0.348	C	S	.	.			trans	-69.6	138.7	-177.8	-71.2	21.5	0	0	0	110.2	V28 M34 I35 W43 P44 C46 F49	V28-F30 HydrophobicContact CB-CE1 4.5Å; V28-F30 HydrophobicContact CG1-CD1 4.12Å; V28-F30 HydrophobicContact CG1-CE1 4.2Å; F30-M34 HydrophobicContact CB-CE 3.99Å; F30-M34 HydrophobicContact CB-SD 4.3Å; F30-M34 HydrophobicContact CD2-CE 4.46Å; F30-M34 HydrophobicContact CD2-SD 4.2Å; F30-M34 HydrophobicContact CG-CE 4.17Å; F30-M34 HydrophobicContact CG-SD 4.44Å; F30-I35 HydrophobicContact CB-CD1 3.74Å; F30-I35 HydrophobicContact CB-CG1 4.09Å; F30-W43 HydrophobicContact CD2-CB 4.43Å; F30-W43 HydrophobicContact CD2-CD2 4.38Å; F30-W43 HydrophobicContact CD2-CE3 4.08Å; F30-W43 HydrophobicContact CE2-CB 3.98Å; F30-W43 HydrophobicContact CE2-CD2 4.42Å; F30-W43 AromaticContact CE2-CE3 3.94Å; F30-W43 HydrophobicContact CE2-CE3 3.94Å; F30-W43 HydrophobicContact CE2-CG 4.49Å; F30-P44 HydrophobicContact CD1-CB 4.38Å; F30-P44 HydrophobicContact CD1-CG 4.02Å; F30-P44 HydrophobicContact CE1-CB 3.75Å; F30-P44 HydrophobicContact CE1-CG 3.88Å; F30-P44 HydrophobicContact CZ-CB 4.01Å; F30-P44 HydrophobicContact CZ-CG 4.23Å; F30-P44 VanDerWaalsContact CZ-O 3.22Å; F30-P44 WeakPolarHBondContact CZ-O 3.08Å; F30-C46 VanDerWaalsContact CE1-SG 3.54Å; F30-F49 HydrophobicContact CD2-CE2 4.44Å; F30-F49 AromaticContact CE2-CE2 3.9Å; F30-F49 HydrophobicContact CE2-CE2 3.9Å; F30-F49 HydrophobicContact CZ-CE2 4.23Å
31	D	89.2	Confident	90.8	Very high	76 Å²	76	65.1 Å²	65.1	41%	0.406	35%	0.354	S	S	.	.			trans	-73.1	142.5	180	-174	-95.1	0	0	0	111.9	Q33 M34 I35	D31-Q33 PolarHBondContact O-N 2.96Å; D31-Q33 WeakPolarHBondContact OD1-CA 3.47Å; D31-Q33 VanDerWaalsContact OD1-CB 3.3Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.47Å; D31-Q33 PolarHBondContact OD1-N 2.57Å; D31-M34 HydrophobicContact CB-CB 4.23Å; D31-M34 PolarHBondContact O-N 3.11Å; D31-I35 WeakPolarHBondContact O-CG1 3.38Å; D31-I35 PolarHBondContact O-N 2.9Å; D31-I35 VanDerWaalsContact O-N 3.08Å
32	E	88	Confident	91.1	Very high	61 Å²	61	70.1 Å²	70.1	29%	0.285	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-35.4	-177	179.1	160.6	-119.9	0	0	112.3	M1 H2 I36	M1-E32 WeakPolarHBondContact CA-OE1 3.43Å; M1-E32 WeakPolarHBondContact CB-OE1 3.49Å; M1-E32 HydrophobicContact CE-CB 3.67Å; M1-E32 HydrophobicContact CE-CG 3.45Å; M1-E32 VanDerWaalsContact CE-CG 3.45Å; M1-E32 PolarHBondContact N-OE1 3.32Å; H2-E32 WeakPolarHBondContact CB-OE2 3.2Å; H2-E32 IonicContact CG-OE2 2.68Å; H2-E32 PolarHBondContact N-OE1 3.13Å; H2-E32 VanDerWaalsContact N-OE1 3.1Å; E32-I36 HydrophobicContact CG-CD1 3.97Å; E32-I36 WeakPolarHBondContact O-CD1 3.46Å; E32-I36 VanDerWaalsContact O-CG1 3.29Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.5Å
33	Q	89.5	Confident	91.5	Very high	151 Å²	151	68.5 Å²	68.5	71%	0.706	36%	0.359	S	S	*	.	H	α-helix	trans	-70.8	-40	178.2	-61.9	-173.8	-16.2	0	0	111.4	D31 I36 S37	D31-Q33 PolarHBondContact O-N 2.96Å; D31-Q33 WeakPolarHBondContact OD1-CA 3.47Å; D31-Q33 VanDerWaalsContact OD1-CB 3.3Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.47Å; D31-Q33 PolarHBondContact OD1-N 2.57Å; Q33-I36 PolarHBondContact O-N 3.21Å; Q33-S37 VanDerWaalsContact O-CB 3.31Å; Q33-S37 WeakPolarHBondContact O-CB 3.29Å; Q33-S37 PolarHBondContact O-N 3.45Å; Q33-S37 PolarHBondContact O-OG 3.2Å
34	M	92.3	Very high	91.9	Very high	24 Å²	24	64.9 Å²	64.9	12%	0.118	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-48.9	173.9	168.8	-113.9	-72.6	0	0	111.2	F30 D31 I36 S37 Q38 W43 P44	F30-M34 HydrophobicContact CB-CE 3.99Å; F30-M34 HydrophobicContact CB-SD 4.3Å; F30-M34 HydrophobicContact CD2-CE 4.46Å; F30-M34 HydrophobicContact CD2-SD 4.2Å; F30-M34 HydrophobicContact CG-CE 4.17Å; F30-M34 HydrophobicContact CG-SD 4.44Å; D31-M34 HydrophobicContact CB-CB 4.23Å; D31-M34 PolarHBondContact O-N 3.11Å; M34-I36 PolarHBondContact O-N 2.93Å; M34-S37 PolarHBondContact O-N 3.05Å; M34-Q38 HydrophobicContact CG-CB 4.25Å; M34-Q38 HydrophobicContact CG-CG 4.49Å; M34-Q38 WeakPolarHBondContact O-CB 3.28Å; M34-Q38 PolarHBondContact O-N 3.17Å; M34-W43 PolarHBondContact O-NE1 2.9Å; M34-W43 HydrophobicContact SD-CB 4.15Å; M34-W43 HydrophobicContact SD-CD2 4.23Å; M34-W43 HydrophobicContact SD-CG 3.67Å; M34-P44 HydrophobicContact CE-CG 3.74Å
35	I	90.2	Very high	92.2	Very high	10 Å²	10	67.8 Å²	67.8	5%	0.051	36%	0.36	C	S	.	.	H	α-helix	trans	-58	-39.5	179.6	-70.4	165.3	0	0	0	111.7	M1 F30 D31 W43 F57 P58 K61	M1-I35 HydrophobicContact CE-CB 4.1Å; M1-I35 HydrophobicContact CE-CD1 3.62Å; M1-I35 HydrophobicContact CE-CG1 4.47Å; M1-I35 HydrophobicContact CE-CG2 4.05Å; M1-I35 HydrophobicContact SD-CD1 3.68Å; M1-I35 HydrophobicContact SD-CG2 4.46Å; F30-I35 HydrophobicContact CB-CD1 3.74Å; F30-I35 HydrophobicContact CB-CG1 4.09Å; D31-I35 WeakPolarHBondContact O-CG1 3.38Å; D31-I35 PolarHBondContact O-N 2.9Å; D31-I35 VanDerWaalsContact O-N 3.08Å; I35-W43 HydrophobicContact CB-CZ2 4.18Å; I35-W43 HydrophobicContact CG1-CH2 4.45Å; I35-W43 HydrophobicContact CG1-CZ2 4.28Å; I35-W43 HydrophobicContact CG2-CH2 4.11Å; I35-W43 HydrophobicContact CG2-CZ2 4.06Å; I35-W43 WeakPolarHBondContact O-CZ2 3.49Å; I35-F57 HydrophobicContact CG2-CD2 4.36Å; I35-F57 HydrophobicContact CG2-CE2 3.93Å; I35-P58 HydrophobicContact CG2-CG 3.68Å; I35-K61 PolarHBondContact O-NZ 3.21Å
36	I	89.4	Confident	92.4	Very high	97 Å²	97	68.1 Å²	68.1	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-76.1	-53	-178.7	-66.2	167.4	0	0	0	110.4	E32 Q33 M34 K61	E32-I36 HydrophobicContact CG-CD1 3.97Å; E32-I36 WeakPolarHBondContact O-CD1 3.46Å; E32-I36 VanDerWaalsContact O-CG1 3.29Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.5Å; Q33-I36 PolarHBondContact O-N 3.21Å; M34-I36 PolarHBondContact O-N 2.93Å; I36-K61 PolarHBondContact O-NZ 3.24Å; I36-K61 VanDerWaalsContact O-NZ 3.07Å
37	S	91.7	Very high	92.6	Very high	98 Å²	98	66.2 Å²	66.2	69%	0.685	35%	0.354	S	S	*	.	H	α-helix	trans	-94.6	-31.7	-163.3	-55	0	0	0	0	114.7	Q33 M34	Q33-S37 VanDerWaalsContact O-CB 3.31Å; Q33-S37 WeakPolarHBondContact O-CB 3.29Å; Q33-S37 PolarHBondContact O-N 3.45Å; Q33-S37 PolarHBondContact O-OG 3.2Å; M34-S37 PolarHBondContact O-N 3.05Å
38	Q	95.1	Very high	92.7	Very high	76 Å²	76	66.4 Å²	66.4	36%	0.355	36%	0.357	S	S	.	.	S	Bend	trans	-91.6	145.1	-174.4	-69.8	179.8	-14.5	0	0	111.9	M34 E42 W43 K61	M34-Q38 HydrophobicContact CG-CB 4.25Å; M34-Q38 HydrophobicContact CG-CG 4.49Å; M34-Q38 WeakPolarHBondContact O-CB 3.28Å; M34-Q38 PolarHBondContact O-N 3.17Å; Q38-E42 HydrophobicContact CB-CB 4.44Å; Q38-W43 PolarHBondContact O-NE1 3.14Å; Q38-K61 WeakPolarHBondContact O-CE 3.45Å; Q38-K61 PolarHBondContact O-NZ 3.21Å
39	P	94.9	Very high	92.8	Very high	61 Å²	61	63.7 Å²	63.7	40%	0.396	34%	0.34	S	S	.	.			trans	-64.3	155.4	173.6	34.2	-38.6	0	0	0	110.5	E41 E42	P39-E41 WeakPolarHBondContact CB-OE2 3.26Å; P39-E41 PolarHBondContact O-N 3.29Å; P39-E42 HydrophobicContact CG-CG 4.02Å; P39-E42 PolarHBondContact O-N 3.09Å
40	V	93.6	Very high	92.8	Very high	1 Å²	1	62 Å²	62	1%	0.006	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-68.5	-20.2	-168.9	-62.6	0	0	0	0	113.1	E42 W43 K61 E64 M68	V40-E42 PolarHBondContact O-N 2.77Å; V40-W43 HydrophobicContact CB-CD2 4.48Å; V40-W43 HydrophobicContact CG1-CD2 4.47Å; V40-W43 HydrophobicContact CG1-CH2 4.16Å; V40-W43 HydrophobicContact CG1-CZ2 4.03Å; V40-W43 HydrophobicContact CG1-CZ3 4.42Å; V40-W43 WeakPolarHBondContact O-CB 3.25Å; V40-W43 PolarHBondContact O-N 2.97Å; V40-K61 HydrophobicContact CG1-CB 3.86Å; V40-K61 HydrophobicContact CG1-CG 4.44Å; V40-K61 WeakPolarHBondContact CG1-O 3.46Å; V40-E64 HydrophobicContact CG1-CB 4.41Å; V40-E64 HydrophobicContact CG2-CB 4.46Å; V40-E64 HydrophobicContact CG2-CG 3.88Å; V40-M68 HydrophobicContact CG2-CE 3.66Å; V40-M68 HydrophobicContact CG2-SD 4.34Å
41	E	94.7	Very high	92.7	Very high	96 Å²	96	60.9 Å²	60.9	45%	0.449	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-62.1	-32.8	176	-65.9	77.2	-177.7	0	0	112	P39 M68 R69	P39-E41 WeakPolarHBondContact CB-OE2 3.26Å; P39-E41 PolarHBondContact O-N 3.29Å; E41-M68 HydrophobicContact CG-CE 3.64Å; E41-M68 HydrophobicContact CG-SD 3.93Å; E41-M68 WeakPolarHBondContact OE1-CE 3.24Å; E41-R69 PolarHBondContact O-NH2 3.29Å
42	E	94.9	Very high	92.5	Very high	120 Å²	120	58 Å²	58	56%	0.561	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-85.6	-6	-178	-68.4	179.5	-160	0	0	113.2	Q38 P39 V40	Q38-E42 HydrophobicContact CB-CB 4.44Å; P39-E42 HydrophobicContact CG-CG 4.02Å; P39-E42 PolarHBondContact O-N 3.09Å; V40-E42 PolarHBondContact O-N 2.77Å
43	W	95.3	Very high	92.3	Very high	8 Å²	8	57.4 Å²	57.4	3%	0.03	30%	0.304	C	S	.	.	S	Bend	trans	-71.2	152.1	179.8	-66.7	8.7	0	0	0	111.6	F30 M34 I35 Q38 V40 L45 K61 Y65	F30-W43 HydrophobicContact CD2-CB 4.43Å; F30-W43 HydrophobicContact CD2-CD2 4.38Å; F30-W43 HydrophobicContact CD2-CE3 4.08Å; F30-W43 HydrophobicContact CE2-CB 3.98Å; F30-W43 HydrophobicContact CE2-CD2 4.42Å; F30-W43 AromaticContact CE2-CE3 3.94Å; F30-W43 HydrophobicContact CE2-CE3 3.94Å; F30-W43 HydrophobicContact CE2-CG 4.49Å; M34-W43 PolarHBondContact O-NE1 2.9Å; M34-W43 HydrophobicContact SD-CB 4.15Å; M34-W43 HydrophobicContact SD-CD2 4.23Å; M34-W43 HydrophobicContact SD-CG 3.67Å; I35-W43 HydrophobicContact CB-CZ2 4.18Å; I35-W43 HydrophobicContact CG1-CH2 4.45Å; I35-W43 HydrophobicContact CG1-CZ2 4.28Å; I35-W43 HydrophobicContact CG2-CH2 4.11Å; I35-W43 HydrophobicContact CG2-CZ2 4.06Å; I35-W43 WeakPolarHBondContact O-CZ2 3.49Å; Q38-W43 PolarHBondContact O-NE1 3.14Å; V40-W43 HydrophobicContact CB-CD2 4.48Å; V40-W43 HydrophobicContact CG1-CD2 4.47Å; V40-W43 HydrophobicContact CG1-CH2 4.16Å; V40-W43 HydrophobicContact CG1-CZ2 4.03Å; V40-W43 HydrophobicContact CG1-CZ3 4.42Å; V40-W43 WeakPolarHBondContact O-CB 3.25Å; V40-W43 PolarHBondContact O-N 2.97Å; W43-L45 PolarHBondContact O-N 3.42Å; W43-K61 HydrophobicContact CH2-CB 3.75Å; W43-K61 HydrophobicContact CZ2-CB 4.04Å; W43-Y65 HydrophobicContact CB-CD2 3.98Å; W43-Y65 HydrophobicContact CB-CE2 3.89Å; W43-Y65 HydrophobicContact CD2-CD2 4.34Å; W43-Y65 AromaticContact CE3-CD2 3.72Å; W43-Y65 HydrophobicContact CE3-CD2 3.72Å; W43-Y65 HydrophobicContact CE3-CE2 4.47Å; W43-Y65 AromaticContact CE3-CG 3.81Å; W43-Y65 HydrophobicContact CE3-CG 3.81Å; W43-Y65 HydrophobicContact CG-CD2 4.5Å; W43-Y65 HydrophobicContact CZ3-CG 4.24Å
44	P	95.3	Very high	91.9	Very high	42 Å²	42	51.2 Å²	51.2	27%	0.273	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-57.3	138.4	178.9	-23.5	32.3	0	0	0	112.2	V28 F30 M34 Y65	V28-P44 HydrophobicContact CG1-CB 4.19Å; V28-P44 HydrophobicContact CG1-CG 4.29Å; F30-P44 HydrophobicContact CD1-CB 4.38Å; F30-P44 HydrophobicContact CD1-CG 4.02Å; F30-P44 HydrophobicContact CE1-CB 3.75Å; F30-P44 HydrophobicContact CE1-CG 3.88Å; F30-P44 HydrophobicContact CZ-CB 4.01Å; F30-P44 HydrophobicContact CZ-CG 4.23Å; F30-P44 VanDerWaalsContact CZ-O 3.22Å; F30-P44 WeakPolarHBondContact CZ-O 3.08Å; M34-P44 HydrophobicContact CE-CG 3.74Å; P44-Y65 PolarHBondContact O-OH 2.92Å
45	L	93.9	Very high	91.3	Very high	128 Å²	128	58 Å²	58	67%	0.67	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-72.1	136.5	175.1	-60.8	177.7	0	0	0	110.4	W43	W43-L45 PolarHBondContact O-N 3.42Å
46	C	94.1	Very high	90.9	Very high	32 Å²	32	60.7 Å²	60.7	22%	0.216	34%	0.339	C	S	.	.			trans	-144.7	137.7	-179.5	-65.9	0	0	0	0	110.5	F30 Y65 P71	F30-C46 VanDerWaalsContact CE1-SG 3.54Å; C46-Y65 PolarHBondContact N-OH 3.43Å; C46-P71 WeakPolarHBondContact O-CB 3.48Å
47	D	94.7	Very high	90.8	Very high	98 Å²	98	57 Å²	57	52%	0.524	32%	0.32	S	S	.	.	S	Bend	trans	-78.2	-25	174.1	-52.8	-77.9	0	0	0	112.9	Y72 L301 L305	D47-Y72 PolarHBondContact O-N 3.43Å; D47-L301 HydrophobicContact CB-CD1 3.73Å; D47-L301 HydrophobicContact CB-CD2 4.4Å; D47-L305 HydrophobicContact CB-CD1 4.04Å
48	C	95	Very high	90.6	Very high	29 Å²	29	53.9 Å²	53.9	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.8	176.4	178.4	0	0	0	0	110.2	Y72 I297 L301	C48-Y72 CarbonylContact C-O 3.51Å; C48-Y72 VanDerWaalsContact CA-O 3.28Å; C48-Y72 WeakPolarHBondContact CA-O 3.35Å; C48-Y72 PolarHBondContact SG-O 3.01Å; C48-I297 HydrophobicContact CB-CG2 3.98Å; C48-L301 HydrophobicContact CB-CD1 3.93Å
49	F	94.6	Very high	90.3	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.066	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.5	-177	-165.4	-122.3	0	0	0	112.3	F30 S51 A62 Y65 I66 P71 Y72 I74 L77	F30-F49 HydrophobicContact CD2-CE2 4.44Å; F30-F49 AromaticContact CE2-CE2 3.9Å; F30-F49 HydrophobicContact CE2-CE2 3.9Å; F30-F49 HydrophobicContact CZ-CE2 4.23Å; F49-S51 VanDerWaalsContact CE1-CB 3.47Å; F49-A62 HydrophobicContact CE1-CB 4.18Å; F49-A62 HydrophobicContact CZ-CB 4.38Å; F49-Y65 HydrophobicContact CD1-CD1 4.49Å; F49-Y65 HydrophobicContact CD2-CD1 4.29Å; F49-Y65 AromaticContact CD2-CE1 3.98Å; F49-Y65 HydrophobicContact CD2-CE1 3.98Å; F49-Y65 HydrophobicContact CE1-CD1 4.27Å; F49-Y65 HydrophobicContact CE2-CD1 4.09Å; F49-Y65 HydrophobicContact CE2-CE1 4.08Å; F49-Y65 HydrophobicContact CG-CD1 4.49Å; F49-Y65 HydrophobicContact CG-CE1 4.35Å; F49-Y65 HydrophobicContact CZ-CD1 4.08Å; F49-I66 HydrophobicContact CD1-CD1 3.9Å; F49-I66 HydrophobicContact CD1-CG1 3.73Å; F49-I66 HydrophobicContact CE1-CD1 4.22Å; F49-I66 HydrophobicContact CE1-CG1 4.09Å; F49-P71 HydrophobicContact CB-CB 3.95Å; F49-P71 HydrophobicContact CB-CG 3.61Å; F49-P71 HydrophobicContact CG-CG 4.35Å; F49-Y72 PolarHBondContact N-O 3.39Å; F49-I74 PolarHBondContact O-N 3.2Å; F49-L77 HydrophobicContact CE1-CD1 4.15Å
50	I	91.5	Very high	90.2	Very high	48 Å²	48	51.2 Å²	51.2	25%	0.246	29%	0.287	C	S	.	.			trans	-115.9	110.7	175.3	-58.8	-179.8	0	0	0	108.1	M10 I74 F276	M10-I50 HydrophobicContact CE-CG2 4.43Å; I50-I74 HydrophobicContact CD1-CG1 4.15Å; I50-I74 HydrophobicContact CG1-CB 4.15Å; I50-I74 HydrophobicContact CG1-CG1 3.65Å; I50-F276 HydrophobicContact CG2-CD2 4.46Å; I50-F276 HydrophobicContact CG2-CE2 3.67Å; I50-F276 HydrophobicContact CG2-CZ 4.19Å
51	S	89.5	Confident	90.2	Very high	8 Å²	8	52.9 Å²	52.9	6%	0.056	29%	0.294	C	S	.	.			trans	-141.1	148.4	178.8	177.3	0	0	0	0	110.7	F49 F57 L77 Q80	F49-S51 VanDerWaalsContact CE1-CB 3.47Å; S51-F57 VanDerWaalsContact OG-CE1 3.27Å; S51-F57 WeakPolarHBondContact OG-CE1 3.25Å; S51-F57 VanDerWaalsContact OG-CZ 3.24Å; S51-F57 WeakPolarHBondContact OG-CZ 3.33Å; S51-L77 WeakPolarHBondContact O-CD2 3.37Å; S51-Q80 PolarHBondContact O-NE2 3.28Å
52	F	85.2	Confident	90.1	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.066	27%	0.273	C	S	.	.			trans	-153.3	145.3	-180	49.4	-101.2	0	0	0	112.3	K4 V5 S54 F276	K4-F52 HydrophobicContact CB-CE2 4.03Å; K4-F52 HydrophobicContact CD-CD2 3.78Å; K4-F52 HydrophobicContact CD-CE2 3.34Å; K4-F52 HydrophobicContact CD-CZ 4.26Å; K4-F52 VanDerWaalsContact CE-CE2 3.42Å; K4-F52 HydrophobicContact CG-CD2 4.44Å; K4-F52 HydrophobicContact CG-CE2 3.52Å; K4-F52 HydrophobicContact CG-CZ 4.02Å; V5-F52 HydrophobicContact CG2-CZ 4.28Å; F52-S54 PolarHBondContact O-N 3.38Å; F52-F276 HydrophobicContact CB-CB 3.38Å; F52-F276 HydrophobicContact CB-CD2 4.12Å; F52-F276 HydrophobicContact CB-CG 4.05Å; F52-F276 HydrophobicContact CD1-CB 3.67Å; F52-F276 HydrophobicContact CD1-CD1 4.14Å; F52-F276 AromaticContact CD1-CD2 3.45Å; F52-F276 HydrophobicContact CD1-CD2 3.45Å; F52-F276 VanDerWaalsContact CD1-CD2 3.45Å; F52-F276 HydrophobicContact CD1-CE2 4.12Å; F52-F276 AromaticContact CD1-CG 3.44Å; F52-F276 HydrophobicContact CD1-CG 3.44Å; F52-F276 VanDerWaalsContact CD1-CG 3.44Å; F52-F276 HydrophobicContact CD2-CB 4.37Å; F52-F276 HydrophobicContact CE1-CD1 4.37Å; F52-F276 HydrophobicContact CE1-CD2 4.26Å; F52-F276 HydrophobicContact CE1-CG 4.11Å; F52-F276 HydrophobicContact CG-CB 3.54Å; F52-F276 HydrophobicContact CG-CD2 4.13Å; F52-F276 AromaticContact CG-CG 3.9Å; F52-F276 HydrophobicContact CG-CG 3.9Å
53	H	82.1	Confident	90.1	Very high	48 Å²	48	43.5 Å²	43.5	22%	0.222	25%	0.251	C	S	.	.			trans	-58.2	137	177.9	-177.2	-102.6	0	0	0	111.4	I59 E143	H53-I59 HydrophobicContact CB-CD1 4.32Å; H53-E143 IonicContact CE1-OE1 3.36Å; H53-E143 PolarHBondContact CE1-OE1 3.03Å
54	S	82	Confident	90.2	Very high	21 Å²	21	47.7 Å²	47.7	15%	0.147	27%	0.271	C	S	.	.			trans	-149.5	153	163.4	65.1	0	0	0	0	107.9	F52 G56 F57	F52-S54 PolarHBondContact O-N 3.38Å; S54-G56 PolarHBondContact O-N 3.42Å; S54-F57 WeakPolarHBondContact O-CB 3.5Å; S54-F57 PolarHBondContact O-N 2.96Å
55	H	80.7	Confident	90.2	Very high	166 Å²	166	45.7 Å²	45.7	77%	0.769	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	124.9	179.8	-172.1	-75.3	0	0	0	111.5
56	G	81.5	Confident	90.2	Very high	67 Å²	67	40.8 Å²	40.8	69%	0.691	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	0.2	-177	0	0	0	0	0	115.9	S54	S54-G56 PolarHBondContact O-N 3.42Å
57	F	86.4	Confident	90.3	Very high	21 Å²	21	45.5 Å²	45.5	9%	0.092	25%	0.25	C	S	.	.			trans	-78.9	126	175.3	179.1	-116.4	0	0	0	111.1	M1 I35 S51 S54 I59 A62	M1-F57 HydrophobicContact CB-CD2 4.41Å; M1-F57 HydrophobicContact CE-CD2 4.27Å; M1-F57 HydrophobicContact CG-CD2 4.18Å; M1-F57 HydrophobicContact SD-CD2 3.2Å; M1-F57 WeakPolarHBondContact SD-CD2 3.25Å; M1-F57 HydrophobicContact SD-CE2 3.37Å; M1-F57 WeakPolarHBondContact SD-CE2 3.43Å; M1-F57 HydrophobicContact SD-CG 4.35Å; I35-F57 HydrophobicContact CG2-CD2 4.36Å; I35-F57 HydrophobicContact CG2-CE2 3.93Å; S51-F57 VanDerWaalsContact OG-CE1 3.27Å; S51-F57 WeakPolarHBondContact OG-CE1 3.25Å; S51-F57 VanDerWaalsContact OG-CZ 3.24Å; S51-F57 WeakPolarHBondContact OG-CZ 3.33Å; S54-F57 WeakPolarHBondContact O-CB 3.5Å; S54-F57 PolarHBondContact O-N 2.96Å; F57-I59 VanDerWaalsContact C-N 3.25Å; F57-I59 HydrophobicContact CD1-CB 4.09Å; F57-I59 HydrophobicContact CE1-CB 4.29Å; F57-I59 HydrophobicContact CE1-CG1 4.48Å; F57-I59 PolarHBondContact O-N 2.81Å; F57-A62 HydrophobicContact CE1-CB 4Å; F57-A62 HydrophobicContact CZ-CB 3.8Å
58	P	88.7	Confident	90.3	Very high	31 Å²	31	44.5 Å²	44.5	20%	0.201	24%	0.244	C	C	.	.			trans	-75.9	76.7	178	32.2	-35.7	0	0	0	110.7	I35 S60 K61 A62	I35-P58 HydrophobicContact CG2-CG 3.68Å; P58-S60 PolarHBondContact O-N 3.34Å; P58-K61 HydrophobicContact CB-CB 4.32Å; P58-K61 HydrophobicContact CB-CD 4.03Å; P58-K61 HydrophobicContact CB-CG 4.14Å; P58-K61 HydrophobicContact CG-CD 4.22Å; P58-K61 PolarHBondContact O-N 3.2Å; P58-K61 VanDerWaalsContact O-N 3.12Å; P58-A62 PolarHBondContact O-N 3.35Å
59	I	88.6	Confident	90.3	Very high	11 Å²	11	48 Å²	48	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-29.7	-179	-167.6	170.8	0	0	0	112.3	H53 F57 A62 I63 L77 Q80 Y81	H53-I59 HydrophobicContact CB-CD1 4.32Å; F57-I59 VanDerWaalsContact C-N 3.25Å; F57-I59 HydrophobicContact CD1-CB 4.09Å; F57-I59 HydrophobicContact CE1-CB 4.29Å; F57-I59 HydrophobicContact CE1-CG1 4.48Å; F57-I59 PolarHBondContact O-N 2.81Å; I59-A62 PolarHBondContact O-N 3.43Å; I59-I63 HydrophobicContact CG1-CD1 4.19Å; I59-I63 WeakPolarHBondContact O-CG1 3.31Å; I59-I63 PolarHBondContact O-N 2.8Å; I59-L77 HydrophobicContact CD1-CD2 4.27Å; I59-L77 HydrophobicContact CG1-CB 4.42Å; I59-L77 HydrophobicContact CG1-CD2 4.29Å; I59-Q80 HydrophobicContact CD1-CB 3.93Å; I59-Y81 HydrophobicContact CG2-CE1 3.86Å; I59-Y81 HydrophobicContact CG2-CE2 4.29Å; I59-Y81 WeakPolarHBondContact CG2-OH 3.43Å
60	S	91.6	Very high	90.3	Very high	70 Å²	70	54 Å²	54	49%	0.49	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-44.7	174.6	50.5	0	0	0	0	112.5	P58 A62 I63 E64	P58-S60 PolarHBondContact O-N 3.34Å; S60-A62 VanDerWaalsContact C-N 3.31Å; S60-A62 PolarHBondContact O-N 3.12Å; S60-I63 WeakPolarHBondContact O-CB 3.07Å; S60-I63 PolarHBondContact O-N 3.07Å; S60-E64 WeakPolarHBondContact O-CB 3.25Å; S60-E64 PolarHBondContact O-N 2.94Å
61	K	94.2	Very high	90.4	Very high	37 Å²	37	52.2 Å²	52.2	16%	0.161	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-37.6	175.1	-66.6	-176.5	74.4	-177.2	0	111.7	I35 I36 Q38 V40 W43 P58 I63 E64 Y65	I35-K61 PolarHBondContact O-NZ 3.21Å; I36-K61 PolarHBondContact O-NZ 3.24Å; I36-K61 VanDerWaalsContact O-NZ 3.07Å; Q38-K61 WeakPolarHBondContact O-CE 3.45Å; Q38-K61 PolarHBondContact O-NZ 3.21Å; V40-K61 HydrophobicContact CG1-CB 3.86Å; V40-K61 HydrophobicContact CG1-CG 4.44Å; V40-K61 WeakPolarHBondContact CG1-O 3.46Å; W43-K61 HydrophobicContact CH2-CB 3.75Å; W43-K61 HydrophobicContact CZ2-CB 4.04Å; P58-K61 HydrophobicContact CB-CB 4.32Å; P58-K61 HydrophobicContact CB-CD 4.03Å; P58-K61 HydrophobicContact CB-CG 4.14Å; P58-K61 HydrophobicContact CG-CD 4.22Å; P58-K61 PolarHBondContact O-N 3.2Å; P58-K61 VanDerWaalsContact O-N 3.12Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.11Å; K61-E64 WeakPolarHBondContact O-CB 3.44Å; K61-E64 PolarHBondContact O-N 3.44Å; K61-Y65 WeakPolarHBondContact O-CB 3.41Å; K61-Y65 PolarHBondContact O-N 3.08Å
62	A	93	Very high	90.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-35.1	176	0	0	0	0	0	112.4	F49 F57 P58 I59 S60 I66 L77	F49-A62 HydrophobicContact CE1-CB 4.18Å; F49-A62 HydrophobicContact CZ-CB 4.38Å; F57-A62 HydrophobicContact CE1-CB 4Å; F57-A62 HydrophobicContact CZ-CB 3.8Å; P58-A62 PolarHBondContact O-N 3.35Å; I59-A62 PolarHBondContact O-N 3.43Å; S60-A62 VanDerWaalsContact C-N 3.31Å; S60-A62 PolarHBondContact O-N 3.12Å; A62-I66 VanDerWaalsContact O-CG1 3.31Å; A62-I66 WeakPolarHBondContact O-CG1 3.38Å; A62-I66 PolarHBondContact O-N 3.41Å; A62-I66 VanDerWaalsContact O-N 3.12Å; A62-L77 HydrophobicContact CB-CD1 3.54Å
63	I	95.1	Very high	91.1	Very high	19 Å²	19	54.9 Å²	54.9	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-43.3	172.3	-69.4	163	0	0	0	110.5	I59 S60 K61 Y65 I66 H67 L77 E78 Y81	I59-I63 HydrophobicContact CG1-CD1 4.19Å; I59-I63 WeakPolarHBondContact O-CG1 3.31Å; I59-I63 PolarHBondContact O-N 2.8Å; S60-I63 WeakPolarHBondContact O-CB 3.07Å; S60-I63 PolarHBondContact O-N 3.07Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.11Å; I63-Y65 PolarHBondContact O-N 2.75Å; I63-I66 WeakPolarHBondContact O-CB 3.37Å; I63-I66 PolarHBondContact O-N 3.46Å; I63-I66 VanDerWaalsContact O-N 3.14Å; I63-H67 VanDerWaalsContact CG2-CD2 3.47Å; I63-H67 WeakPolarHBondContact CG2-CD2 3.36Å; I63-H67 WeakPolarHBondContact CG2-NE2 3.22Å; I63-H67 PolarHBondContact O-CD2 2.86Å; I63-H67 VanDerWaalsContact O-CD2 3.22Å; I63-H67 PolarHBondContact O-N 2.85Å; I63-L77 HydrophobicContact CD1-CB 4.28Å; I63-L77 HydrophobicContact CG1-CB 3.65Å; I63-L77 HydrophobicContact CG1-CD1 4.25Å; I63-E78 HydrophobicContact CD1-CG 4.08Å; I63-E78 HydrophobicContact CG1-CG 4.29Å; I63-E78 HydrophobicContact CG2-CG 4.1Å; I63-Y81 HydrophobicContact CD1-CD2 4.48Å; I63-Y81 HydrophobicContact CD1-CE2 3.65Å
64	E	95.7	Very high	91.6	Very high	95 Å²	95	52.7 Å²	52.7	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-58.6	-45.2	175	-169.5	-174.1	175.8	0	0	112	V40 S60 K61 I66 H67 M68	V40-E64 HydrophobicContact CG1-CB 4.41Å; V40-E64 HydrophobicContact CG2-CB 4.46Å; V40-E64 HydrophobicContact CG2-CG 3.88Å; S60-E64 WeakPolarHBondContact O-CB 3.25Å; S60-E64 PolarHBondContact O-N 2.94Å; K61-E64 WeakPolarHBondContact O-CB 3.44Å; K61-E64 PolarHBondContact O-N 3.44Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.3Å; E64-H67 PolarHBondContact O-N 2.75Å; E64-M68 WeakPolarHBondContact O-CB 3.25Å; E64-M68 PolarHBondContact O-N 2.93Å
65	Y	95.6	Very high	92.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-42.7	173.3	177.6	-91.4	0	0	0	112.1	W43 P44 C46 F49 K61 I63 M68 R69 P71	W43-Y65 HydrophobicContact CB-CD2 3.98Å; W43-Y65 HydrophobicContact CB-CE2 3.89Å; W43-Y65 HydrophobicContact CD2-CD2 4.34Å; W43-Y65 AromaticContact CE3-CD2 3.72Å; W43-Y65 HydrophobicContact CE3-CD2 3.72Å; W43-Y65 HydrophobicContact CE3-CE2 4.47Å; W43-Y65 AromaticContact CE3-CG 3.81Å; W43-Y65 HydrophobicContact CE3-CG 3.81Å; W43-Y65 HydrophobicContact CG-CD2 4.5Å; W43-Y65 HydrophobicContact CZ3-CG 4.24Å; P44-Y65 PolarHBondContact O-OH 2.92Å; C46-Y65 PolarHBondContact N-OH 3.43Å; F49-Y65 HydrophobicContact CD1-CD1 4.49Å; F49-Y65 HydrophobicContact CD2-CD1 4.29Å; F49-Y65 AromaticContact CD2-CE1 3.98Å; F49-Y65 HydrophobicContact CD2-CE1 3.98Å; F49-Y65 HydrophobicContact CE1-CD1 4.27Å; F49-Y65 HydrophobicContact CE2-CD1 4.09Å; F49-Y65 HydrophobicContact CE2-CE1 4.08Å; F49-Y65 HydrophobicContact CG-CD1 4.49Å; F49-Y65 HydrophobicContact CG-CE1 4.35Å; F49-Y65 HydrophobicContact CZ-CD1 4.08Å; K61-Y65 WeakPolarHBondContact O-CB 3.41Å; K61-Y65 PolarHBondContact O-N 3.08Å; I63-Y65 PolarHBondContact O-N 2.75Å; Y65-M68 PolarHBondContact O-N 3.19Å; Y65-R69 HydrophobicContact CD2-CG 3.97Å; Y65-R69 HydrophobicContact CE1-CB 4.29Å; Y65-R69 HydrophobicContact CE1-CG 4.32Å; Y65-R69 HydrophobicContact CE2-CB 4.41Å; Y65-R69 HydrophobicContact CE2-CG 3.59Å; Y65-R69 HydrophobicContact CG-CG 4.47Å; Y65-R69 WeakPolarHBondContact O-CB 3.45Å; Y65-R69 PolarHBondContact O-N 2.86Å; Y65-P71 HydrophobicContact CE1-CG 4.31Å
66	I	95.3	Very high	92.8	Very high	25 Å²	25	45.7 Å²	45.7	13%	0.128	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-45.8	176.4	-70.2	167.7	0	0	0	110.9	F49 A62 I63 E64 M68 N70 P71 V73 L77	F49-I66 HydrophobicContact CD1-CD1 3.9Å; F49-I66 HydrophobicContact CD1-CG1 3.73Å; F49-I66 HydrophobicContact CE1-CD1 4.22Å; F49-I66 HydrophobicContact CE1-CG1 4.09Å; A62-I66 VanDerWaalsContact O-CG1 3.31Å; A62-I66 WeakPolarHBondContact O-CG1 3.38Å; A62-I66 PolarHBondContact O-N 3.41Å; A62-I66 VanDerWaalsContact O-N 3.12Å; I63-I66 WeakPolarHBondContact O-CB 3.37Å; I63-I66 PolarHBondContact O-N 3.46Å; I63-I66 VanDerWaalsContact O-N 3.14Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.3Å; I66-M68 VanDerWaalsContact C-N 3.3Å; I66-M68 PolarHBondContact O-N 2.84Å; I66-N70 WeakPolarHBondContact O-CA 3.48Å; I66-N70 PolarHBondContact O-N 2.66Å; I66-P71 HydrophobicContact CG1-CG 4.34Å; I66-V73 HydrophobicContact CD1-CG1 4Å; I66-V73 HydrophobicContact CD1-CG2 3.82Å; I66-V73 HydrophobicContact CG1-CG2 4Å; I66-V73 HydrophobicContact CG2-CG2 3.85Å; I66-L77 HydrophobicContact CD1-CB 4.26Å; I66-L77 HydrophobicContact CD1-CD1 3.39Å; I66-L77 HydrophobicContact CD1-CG 3.83Å
67	H	95.6	Very high	93.3	Very high	131 Å²	131	42.7 Å²	42.7	61%	0.606	21%	0.214	S	C	*	.	H	α-helix	trans	-63.4	-37.3	179.1	-73	-49.2	0	0	0	112.1	I63 E64 E78	I63-H67 VanDerWaalsContact CG2-CD2 3.47Å; I63-H67 WeakPolarHBondContact CG2-CD2 3.36Å; I63-H67 WeakPolarHBondContact CG2-NE2 3.22Å; I63-H67 PolarHBondContact O-CD2 2.86Å; I63-H67 VanDerWaalsContact O-CD2 3.22Å; I63-H67 PolarHBondContact O-N 2.85Å; E64-H67 PolarHBondContact O-N 2.75Å; H67-E78 IonicContact CE1-OE1 3.28Å; H67-E78 PolarHBondContact CE1-OE1 3.39Å; H67-E78 IonicContact NE2-OE1 2.88Å; H67-E78 PolarHBondContact NE2-OE1 3Å
68	M	95.5	Very high	93.6	Very high	77 Å²	77	46.4 Å²	46.4	38%	0.379	23%	0.232	S	C	.	.	H	α-helix	trans	-73.8	-42.6	179	-176.2	-173.4	-69.7	0	0	113.5	V40 E41 E64 Y65 I66	V40-M68 HydrophobicContact CG2-CE 3.66Å; V40-M68 HydrophobicContact CG2-SD 4.34Å; E41-M68 HydrophobicContact CG-CE 3.64Å; E41-M68 HydrophobicContact CG-SD 3.93Å; E41-M68 WeakPolarHBondContact OE1-CE 3.24Å; E64-M68 WeakPolarHBondContact O-CB 3.25Å; E64-M68 PolarHBondContact O-N 2.93Å; Y65-M68 PolarHBondContact O-N 3.19Å; I66-M68 VanDerWaalsContact C-N 3.3Å; I66-M68 PolarHBondContact O-N 2.84Å
69	R	94.1	Very high	93.8	Very high	103 Å²	103	49.6 Å²	49.6	39%	0.389	24%	0.24	S	C	.	.	H	α-helix	trans	-103.5	-15.6	-170.4	-57.3	-56.3	-173.4	-175.8	2.2	114.2	E41 Y65 P71	E41-R69 PolarHBondContact O-NH2 3.29Å; Y65-R69 HydrophobicContact CD2-CG 3.97Å; Y65-R69 HydrophobicContact CE1-CB 4.29Å; Y65-R69 HydrophobicContact CE1-CG 4.32Å; Y65-R69 HydrophobicContact CE2-CB 4.41Å; Y65-R69 HydrophobicContact CE2-CG 3.59Å; Y65-R69 HydrophobicContact CG-CG 4.47Å; Y65-R69 WeakPolarHBondContact O-CB 3.45Å; Y65-R69 PolarHBondContact O-N 2.86Å; R69-P71 VanDerWaalsContact C-CD 3.44Å
70	N	93.4	Very high	93.9	Very high	141 Å²	141	49.3 Å²	49.3	75%	0.754	24%	0.238	S	C	*	.			trans	46.5	48.2	-178.7	-167.1	37	0	0	0	115.3	I66	I66-N70 WeakPolarHBondContact O-CA 3.48Å; I66-N70 PolarHBondContact O-N 2.66Å
71	P	95.3	Very high	93.9	Very high	10 Å²	10	50.6 Å²	50.6	7%	0.065	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-71.6	162.9	177.8	34.2	-37	0	0	0	111.5	C46 F49 Y65 I66 R69 V73	C46-P71 WeakPolarHBondContact O-CB 3.48Å; F49-P71 HydrophobicContact CB-CB 3.95Å; F49-P71 HydrophobicContact CB-CG 3.61Å; F49-P71 HydrophobicContact CG-CG 4.35Å; Y65-P71 HydrophobicContact CE1-CG 4.31Å; I66-P71 HydrophobicContact CG1-CG 4.34Å; R69-P71 VanDerWaalsContact C-CD 3.44Å; P71-V73 HydrophobicContact CG-CG2 4.44Å; P71-V73 WeakPolarHBondContact O-CG2 3.23Å; P71-V73 PolarHBondContact O-N 2.92Å
72	Y	94.4	Very high	93.9	Very high	42 Å²	42	50 Å²	50	17%	0.165	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	116.8	166.5	177.5	-122.7	0	0	0	110.4	D47 C48 F49 I74 I297 Y300	D47-Y72 PolarHBondContact O-N 3.43Å; C48-Y72 CarbonylContact C-O 3.51Å; C48-Y72 VanDerWaalsContact CA-O 3.28Å; C48-Y72 WeakPolarHBondContact CA-O 3.35Å; C48-Y72 PolarHBondContact SG-O 3.01Å; F49-Y72 PolarHBondContact N-O 3.39Å; Y72-I74 HydrophobicContact CD1-CD1 4.29Å; Y72-I74 HydrophobicContact CE1-CD1 3.67Å; Y72-I297 HydrophobicContact CD1-CG1 4.45Å; Y72-I297 HydrophobicContact CE1-CG1 4.34Å; Y72-Y300 HydrophobicContact CD1-CD1 4.25Å; Y72-Y300 HydrophobicContact CD1-CG 4.37Å; Y72-Y300 AromaticContact CD2-CD1 3.41Å; Y72-Y300 HydrophobicContact CD2-CD1 3.41Å; Y72-Y300 VanDerWaalsContact CD2-CD1 3.41Å; Y72-Y300 AromaticContact CD2-CD2 3.9Å; Y72-Y300 HydrophobicContact CD2-CD2 3.9Å; Y72-Y300 AromaticContact CD2-CE1 3.58Å; Y72-Y300 HydrophobicContact CD2-CE1 3.58Å; Y72-Y300 HydrophobicContact CD2-CE2 4.05Å; Y72-Y300 AromaticContact CD2-CG 3.58Å; Y72-Y300 HydrophobicContact CD2-CG 3.58Å; Y72-Y300 AromaticContact CD2-CZ 3.9Å; Y72-Y300 HydrophobicContact CE2-CD1 4.1Å; Y72-Y300 AromaticContact CE2-CD2 3.8Å; Y72-Y300 HydrophobicContact CE2-CD2 3.8Å; Y72-Y300 HydrophobicContact CE2-CE1 4.44Å; Y72-Y300 HydrophobicContact CE2-CE2 4.16Å; Y72-Y300 AromaticContact CE2-CG 3.76Å; Y72-Y300 HydrophobicContact CE2-CG 3.76Å; Y72-Y300 AromaticContact CG-CD1 3.51Å; Y72-Y300 HydrophobicContact CG-CD1 3.51Å; Y72-Y300 AromaticContact CG-CE1 3.95Å; Y72-Y300 HydrophobicContact CG-CE1 3.95Å; Y72-Y300 AromaticContact CG-CG 3.92Å; Y72-Y300 HydrophobicContact CG-CG 3.92Å
73	V	94	Very high	93.9	Very high	37 Å²	37	50.7 Å²	50.7	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.7	-174.7	-167.6	0	0	0	0	110.6	I66 P71 N75	I66-V73 HydrophobicContact CD1-CG1 4Å; I66-V73 HydrophobicContact CD1-CG2 3.82Å; I66-V73 HydrophobicContact CG1-CG2 4Å; I66-V73 HydrophobicContact CG2-CG2 3.85Å; P71-V73 HydrophobicContact CG-CG2 4.44Å; P71-V73 WeakPolarHBondContact O-CG2 3.23Å; P71-V73 PolarHBondContact O-N 2.92Å; V73-N75 WeakPolarHBondContact CG1-O 3.42Å
74	I	93	Very high	93.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	24%	0.243	C	C	.	.	S	Bend	trans	-69.9	-45.9	178	-67	-58.8	0	0	0	111.7	F49 I50 Y72 T255 V256 F276 L293 I297	F49-I74 PolarHBondContact O-N 3.2Å; I50-I74 HydrophobicContact CD1-CG1 4.15Å; I50-I74 HydrophobicContact CG1-CB 4.15Å; I50-I74 HydrophobicContact CG1-CG1 3.65Å; Y72-I74 HydrophobicContact CD1-CD1 4.29Å; Y72-I74 HydrophobicContact CE1-CD1 3.67Å; I74-T255 HydrophobicContact CG2-CG2 4.01Å; I74-T255 WeakPolarHBondContact O-CB 3.16Å; I74-T255 PolarHBondContact O-OG1 3.29Å; I74-V256 HydrophobicContact CG2-CG2 4.14Å; I74-F276 HydrophobicContact CG2-CE2 4.49Å; I74-L293 HydrophobicContact CD1-CD2 4.42Å; I74-L293 HydrophobicContact CG2-CD2 3.99Å; I74-I297 HydrophobicContact CD1-CD1 4.4Å; I74-I297 HydrophobicContact CD1-CG1 3.92Å
75	N	93.4	Very high	93.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-122.3	126.9	177.3	-82.8	9.9	0	0	0	109.9	V73 L77 Q254 T255 V256 F276	V73-N75 WeakPolarHBondContact CG1-O 3.42Å; N75-L77 PolarHBondContact O-N 2.85Å; N75-L77 VanDerWaalsContact O-N 3.11Å; N75-Q254 PolarHBondContact ND2-OE1 2.56Å; N75-T255 WeakPolarHBondContact OD1-CA 3.28Å; N75-T255 PolarHBondContact OD1-N 3.09Å; N75-V256 PolarHBondContact ND2-O 2.88Å; N75-V256 PolarHBondContact OD1-N 3.16Å; N75-F276 WeakPolarHBondContact ND2-CD2 3.37Å
76	D	94.1	Very high	93.6	Very high	39 Å²	39	49.3 Å²	49.3	21%	0.209	23%	0.233	C	C	.	.			trans	-60.3	113.5	176.6	-175.7	-34.7	0	0	0	110.1	E78 R79 Q80 R253 Q254	D76-E78 PolarHBondContact OD1-N 2.68Å; D76-R79 HydrophobicContact CB-CB 4.01Å; D76-R79 HydrophobicContact CB-CG 3.96Å; D76-R79 WeakPolarHBondContact OD1-CG 3.36Å; D76-R79 PolarHBondContact OD1-N 3.17Å; D76-R79 VanDerWaalsContact OD2-CG 3.28Å; D76-R79 WeakPolarHBondContact OD2-CG 3.48Å; D76-Q80 WeakPolarHBondContact O-CG 3.4Å; D76-Q80 PolarHBondContact O-N 2.64Å; D76-R253 HydrophobicContact CB-CB 3.68Å; D76-R253 WeakPolarHBondContact CB-O 3.28Å; D76-R253 PolarHBondContact N-O 3.2Å; D76-R253 VanDerWaalsContact N-O 3.09Å; D76-R253 VanDerWaalsContact OD2-CD 3.29Å; D76-R253 WeakPolarHBondContact OD2-CD 3.03Å; D76-R253 IonicContact OD2-NH1 2.94Å; D76-Q254 PolarHBondContact O-NE2 3.27Å
77	L	92	Very high	93.6	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	23%	0.232	C	C	.	.	S	Bend	trans	-73.5	-35.7	-175.1	-74.8	-174.9	0	0	0	112.6	F49 S51 I59 A62 I63 I66 N75 R79 Q80	F49-L77 HydrophobicContact CE1-CD1 4.15Å; S51-L77 WeakPolarHBondContact O-CD2 3.37Å; I59-L77 HydrophobicContact CD1-CD2 4.27Å; I59-L77 HydrophobicContact CG1-CB 4.42Å; I59-L77 HydrophobicContact CG1-CD2 4.29Å; A62-L77 HydrophobicContact CB-CD1 3.54Å; I63-L77 HydrophobicContact CD1-CB 4.28Å; I63-L77 HydrophobicContact CG1-CB 3.65Å; I63-L77 HydrophobicContact CG1-CD1 4.25Å; I66-L77 HydrophobicContact CD1-CB 4.26Å; I66-L77 HydrophobicContact CD1-CD1 3.39Å; I66-L77 HydrophobicContact CD1-CG 3.83Å; N75-L77 PolarHBondContact O-N 2.85Å; N75-L77 VanDerWaalsContact O-N 3.11Å; L77-R79 VanDerWaalsContact C-N 3.27Å; L77-R79 PolarHBondContact O-N 3.25Å; L77-Q80 WeakPolarHBondContact O-CB 3.35Å; L77-Q80 PolarHBondContact O-N 2.81Å
78	E	92.4	Very high	93.6	Very high	100 Å²	100	47.4 Å²	47.4	47%	0.467	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-63.7	-39.6	177.5	-66.1	-174.3	173.7	0	0	110.1	I63 H67 D76 Q80 Y81	I63-E78 HydrophobicContact CD1-CG 4.08Å; I63-E78 HydrophobicContact CG1-CG 4.29Å; I63-E78 HydrophobicContact CG2-CG 4.1Å; H67-E78 IonicContact CE1-OE1 3.28Å; H67-E78 PolarHBondContact CE1-OE1 3.39Å; H67-E78 IonicContact NE2-OE1 2.88Å; H67-E78 PolarHBondContact NE2-OE1 3Å; D76-E78 PolarHBondContact OD1-N 2.68Å; E78-Q80 PolarHBondContact O-N 3.47Å; E78-Y81 WeakPolarHBondContact O-CD2 3.2Å; E78-Y81 PolarHBondContact O-N 3.26Å
79	R	92.9	Very high	93.6	Very high	98 Å²	98	43.9 Å²	43.9	37%	0.37	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-66.6	-14.6	174.5	-65.6	-69.8	178.9	-174.1	-1.6	114.1	D76 L77 Y81 D82 F252 R253	D76-R79 HydrophobicContact CB-CB 4.01Å; D76-R79 HydrophobicContact CB-CG 3.96Å; D76-R79 WeakPolarHBondContact OD1-CG 3.36Å; D76-R79 PolarHBondContact OD1-N 3.17Å; D76-R79 VanDerWaalsContact OD2-CG 3.28Å; D76-R79 WeakPolarHBondContact OD2-CG 3.48Å; L77-R79 VanDerWaalsContact C-N 3.27Å; L77-R79 PolarHBondContact O-N 3.25Å; R79-Y81 VanDerWaalsContact C-N 3.26Å; R79-Y81 PolarHBondContact O-N 3.18Å; R79-D82 WeakPolarHBondContact CD-OD2 3.48Å; R79-D82 IonicContact NH1-OD2 3.5Å; R79-D82 PolarHBondContact NH1-OD2 2.84Å; R79-D82 WeakPolarHBondContact O-CB 3.27Å; R79-D82 PolarHBondContact O-N 3.49Å; R79-D82 VanDerWaalsContact O-N 3.12Å; R79-F252 WeakPolarHBondContact CB-O 3.4Å; R79-R253 HydrophobicContact CG-CB 4.33Å
80	Q	91.5	Very high	93.7	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-69.9	-24.7	174.9	-64.9	-174.1	18.1	0	0	112.6	S51 I59 D76 L77 E78 D82 L83	S51-Q80 PolarHBondContact O-NE2 3.28Å; I59-Q80 HydrophobicContact CD1-CB 3.93Å; D76-Q80 WeakPolarHBondContact O-CG 3.4Å; D76-Q80 PolarHBondContact O-N 2.64Å; L77-Q80 WeakPolarHBondContact O-CB 3.35Å; L77-Q80 PolarHBondContact O-N 2.81Å; E78-Q80 PolarHBondContact O-N 3.47Å; Q80-D82 PolarHBondContact O-N 2.64Å; Q80-L83 HydrophobicContact CG-CD1 4.46Å; Q80-L83 WeakPolarHBondContact O-CB 3.02Å; Q80-L83 PolarHBondContact O-N 3.49Å; Q80-L83 VanDerWaalsContact O-N 3.14Å
81	Y	91.9	Very high	93.8	Very high	97 Å²	97	37.4 Å²	37.4	38%	0.38	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-63.5	-28.2	170.5	-70.7	-67.8	0	0	0	112.4	I59 I63 E78 R79 L83 L84	I59-Y81 HydrophobicContact CG2-CE1 3.86Å; I59-Y81 HydrophobicContact CG2-CE2 4.29Å; I59-Y81 WeakPolarHBondContact CG2-OH 3.43Å; I63-Y81 HydrophobicContact CD1-CD2 4.48Å; I63-Y81 HydrophobicContact CD1-CE2 3.65Å; E78-Y81 WeakPolarHBondContact O-CD2 3.2Å; E78-Y81 PolarHBondContact O-N 3.26Å; R79-Y81 VanDerWaalsContact C-N 3.26Å; R79-Y81 PolarHBondContact O-N 3.18Å; Y81-L83 PolarHBondContact O-N 3.23Å; Y81-L84 HydrophobicContact CD1-CD1 4.04Å; Y81-L84 PolarHBondContact O-N 2.95Å
82	D	93.1	Very high	93.9	Very high	23 Å²	23	38 Å²	38	12%	0.123	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-68.1	-28	176.8	-64.3	-26.7	0	0	0	111.6	R79 Q80 L84 K88 I92	R79-D82 WeakPolarHBondContact CD-OD2 3.48Å; R79-D82 IonicContact NH1-OD2 3.5Å; R79-D82 PolarHBondContact NH1-OD2 2.84Å; R79-D82 WeakPolarHBondContact O-CB 3.27Å; R79-D82 PolarHBondContact O-N 3.49Å; R79-D82 VanDerWaalsContact O-N 3.12Å; Q80-D82 PolarHBondContact O-N 2.64Å; D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.85Å; D82-K88 HydrophobicContact CB-CB 4.38Å; D82-K88 HydrophobicContact CB-CD 4.24Å; D82-K88 WeakPolarHBondContact O-CB 3.25Å; D82-K88 WeakPolarHBondContact OD1-CD 3.38Å; D82-K88 IonicContact OD1-NZ 2.84Å; D82-K88 PolarHBondContact OD1-NZ 3.09Å; D82-I92 HydrophobicContact CB-CD1 3.78Å
83	L	92.7	Very high	94	Very high	15 Å²	15	36 Å²	36	8%	0.079	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-74.3	-16.3	177.7	-57.8	172.8	0	0	0	113.5	Q80 Y81 S85 V89 A142 F252 Q254 V273	Q80-L83 HydrophobicContact CG-CD1 4.46Å; Q80-L83 WeakPolarHBondContact O-CB 3.02Å; Q80-L83 PolarHBondContact O-N 3.49Å; Q80-L83 VanDerWaalsContact O-N 3.14Å; Y81-L83 PolarHBondContact O-N 3.23Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-V89 HydrophobicContact CD2-CG2 4.41Å; L83-A142 WeakPolarHBondContact O-CB 3.36Å; L83-F252 HydrophobicContact CD2-CD1 3.4Å; L83-F252 HydrophobicContact CD2-CE1 3.72Å; L83-F252 HydrophobicContact CD2-CG 4.21Å; L83-F252 HydrophobicContact CG-CD1 4.45Å; L83-Q254 HydrophobicContact CD1-CG 4.1Å; L83-V273 HydrophobicContact CD2-CB 4.47Å; L83-V273 HydrophobicContact CD2-CG1 3.97Å
84	L	91.8	Very high	94.1	Very high	49 Å²	49	38.6 Å²	38.6	26%	0.257	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-78.7	-17.2	179.9	-58.3	-179.8	0	0	0	112.7	Y81 D82 A142 E143	Y81-L84 HydrophobicContact CD1-CD1 4.04Å; Y81-L84 PolarHBondContact O-N 2.95Å; D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.85Å; L84-A142 PolarHBondContact O-N 3.3Å; L84-E143 HydrophobicContact CD2-CG 4.17Å
85	S	94.2	Very high	94.3	Very high	28 Å²	28	47.7 Å²	47.7	20%	0.196	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-117.1	117.2	179.2	177.6	0	0	0	0	110.7	L83 I87 K88 V89	L83-S85 VanDerWaalsContact C-N 3.31Å; S85-I87 PolarHBondContact O-N 3.42Å; S85-K88 PolarHBondContact O-N 3.03Å; S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 3.33Å
86	R	95.1	Very high	94.3	Very high	9 Å²	9	48.7 Å²	48.7	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-31.8	177	-67	-168.3	173.6	98.7	4.6	112.5	V89 Y90 P139 I140 S141 A142 D144 I186	R86-V89 PolarHBondContact O-N 2.81Å; R86-Y90 WeakPolarHBondContact O-CB 3.24Å; R86-Y90 WeakPolarHBondContact O-CD2 3.46Å; R86-Y90 PolarHBondContact O-N 2.73Å; R86-P139 WeakPolarHBondContact CD-O 3.21Å; R86-P139 PolarHBondContact NH1-O 3.26Å; R86-I140 PolarHBondContact N-O 2.89Å; R86-S141 PolarHBondContact NH1-O 3.42Å; R86-A142 HydrophobicContact CG-CB 4.02Å; R86-A142 PolarHBondContact NH2-O 3.21Å; R86-D144 PolarHBondContact NH1-O 3.23Å; R86-D144 PolarHBondContact NH2-O 3.05Å; R86-I186 HydrophobicContact CB-CD1 3.42Å; R86-I186 VanDerWaalsContact CB-CD1 3.42Å
87	I	94.7	Very high	94.3	Very high	24 Å²	24	56.3 Å²	56.3	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-46.6	175.2	-62.6	169	0	0	0	110.6	S85 Y90 K91 V105 L107 I140 I186	S85-I87 PolarHBondContact O-N 3.42Å; I87-Y90 PolarHBondContact O-N 3.41Å; I87-K91 HydrophobicContact CG2-CD 4.12Å; I87-K91 WeakPolarHBondContact O-CB 3.37Å; I87-K91 WeakPolarHBondContact O-CG 3.27Å; I87-K91 PolarHBondContact O-N 2.91Å; I87-V105 HydrophobicContact CD1-CG1 3.58Å; I87-V105 HydrophobicContact CG1-CG1 3.83Å; I87-V105 HydrophobicContact CG1-CG2 4.3Å; I87-L107 HydrophobicContact CD1-CD2 3.77Å; I87-I140 HydrophobicContact CD1-CB 4.42Å; I87-I140 HydrophobicContact CD1-CD1 3.71Å; I87-I140 HydrophobicContact CD1-CG1 3.99Å; I87-I140 HydrophobicContact CD1-CG2 3.57Å; I87-I140 HydrophobicContact CG1-CD1 3.89Å; I87-I140 HydrophobicContact CG1-CG2 3.94Å; I87-I186 HydrophobicContact CG1-CD1 4.22Å; I87-I186 HydrophobicContact CG1-CG1 4.45Å
88	K	95.6	Very high	94.4	Very high	92 Å²	92	56.5 Å²	56.5	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-64.6	-44.7	178.1	-71.2	-175.3	167.8	-165	0	110.8	D82 S85 Y90 K91 I92	D82-K88 HydrophobicContact CB-CB 4.38Å; D82-K88 HydrophobicContact CB-CD 4.24Å; D82-K88 WeakPolarHBondContact O-CB 3.25Å; D82-K88 WeakPolarHBondContact OD1-CD 3.38Å; D82-K88 IonicContact OD1-NZ 2.84Å; D82-K88 PolarHBondContact OD1-NZ 3.09Å; S85-K88 PolarHBondContact O-N 3.03Å; K88-Y90 VanDerWaalsContact C-N 3.35Å; K88-Y90 PolarHBondContact O-N 2.62Å; K88-K91 PolarHBondContact O-N 2.85Å; K88-I92 VanDerWaalsContact O-CG1 3.26Å; K88-I92 WeakPolarHBondContact O-CG1 3.2Å; K88-I92 PolarHBondContact O-N 3.41Å
89	V	96	Very high	94.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-54.2	-50.7	175.1	172.5	0	0	0	0	110.9	L83 S85 R86 I92 L93 F252 V273	L83-V89 HydrophobicContact CD2-CG2 4.41Å; S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 3.33Å; R86-V89 PolarHBondContact O-N 2.81Å; V89-I92 PolarHBondContact O-N 2.89Å; V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 VanDerWaalsContact O-CG 3.31Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.06Å; V89-F252 HydrophobicContact CB-CE1 4.29Å; V89-F252 HydrophobicContact CB-CZ 4.3Å; V89-F252 HydrophobicContact CG1-CE1 4.21Å; V89-F252 HydrophobicContact CG1-CZ 3.84Å; V89-F252 HydrophobicContact CG2-CE1 4.09Å; V89-V273 HydrophobicContact CG1-CB 3.99Å; V89-V273 HydrophobicContact CG1-CG2 4.03Å
90	Y	96.3	Very high	94.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-44	-177.5	-79.8	-140	0	0	0	111.2	R86 I87 K88 I92 L93 E94 L100 Y103 K138 I186 E188 C271	R86-Y90 WeakPolarHBondContact O-CB 3.24Å; R86-Y90 WeakPolarHBondContact O-CD2 3.46Å; R86-Y90 PolarHBondContact O-N 2.73Å; I87-Y90 PolarHBondContact O-N 3.41Å; K88-Y90 VanDerWaalsContact C-N 3.35Å; K88-Y90 PolarHBondContact O-N 2.62Å; Y90-I92 VanDerWaalsContact C-N 3.3Å; Y90-I92 PolarHBondContact O-N 3.38Å; Y90-L93 WeakPolarHBondContact O-CB 3.44Å; Y90-L93 PolarHBondContact O-N 2.85Å; Y90-L93 VanDerWaalsContact O-N 3.13Å; Y90-E94 WeakPolarHBondContact O-CG 3.11Å; Y90-E94 PolarHBondContact O-N 3.44Å; Y90-L100 HydrophobicContact CD1-CD1 4.07Å; Y90-L100 HydrophobicContact CD1-CD2 4.41Å; Y90-L100 HydrophobicContact CG-CD1 4.15Å; Y90-L100 HydrophobicContact CG-CD2 4.4Å; Y90-Y103 AromaticContact CD1-CD1 3.61Å; Y90-Y103 HydrophobicContact CD1-CD1 3.61Å; Y90-Y103 AromaticContact CD1-CD2 3.6Å; Y90-Y103 HydrophobicContact CD1-CD2 3.6Å; Y90-Y103 AromaticContact CD1-CE1 3.65Å; Y90-Y103 HydrophobicContact CD1-CE1 3.65Å; Y90-Y103 AromaticContact CD1-CE2 3.61Å; Y90-Y103 HydrophobicContact CD1-CE2 3.61Å; Y90-Y103 AromaticContact CD1-CG 3.6Å; Y90-Y103 HydrophobicContact CD1-CG 3.6Å; Y90-Y103 AromaticContact CD1-CZ 3.66Å; Y90-Y103 HydrophobicContact CE1-CD1 4.02Å; Y90-Y103 HydrophobicContact CE1-CD2 4.07Å; Y90-Y103 HydrophobicContact CE1-CE1 4.5Å; Y90-Y103 AromaticContact CE1-CG 3.81Å; Y90-Y103 HydrophobicContact CE1-CG 3.81Å; Y90-Y103 HydrophobicContact CG-CE1 4.49Å; Y90-Y103 HydrophobicContact CG-CE2 4.33Å; Y90-K138 PolarHBondContact OH-NZ 3.2Å; Y90-I186 HydrophobicContact CE1-CG2 4.08Å; Y90-E188 PolarHBondContact OH-OE2 3.2Å; Y90-C271 PolarHBondContact OH-O 2.95Å
91	K	96.2	Very high	94.5	Very high	105 Å²	105	51 Å²	51	46%	0.457	23%	0.227	S	C	.	.	H	α-helix	trans	-59.4	-38.1	174.7	-74.9	179.5	177.8	-179.1	0	112.9	I87 K88 R95	I87-K91 HydrophobicContact CG2-CD 4.12Å; I87-K91 WeakPolarHBondContact O-CB 3.37Å; I87-K91 WeakPolarHBondContact O-CG 3.27Å; I87-K91 PolarHBondContact O-N 2.91Å; K88-K91 PolarHBondContact O-N 2.85Å; K91-R95 WeakPolarHBondContact O-CB 3.31Å; K91-R95 WeakPolarHBondContact O-CD 3.41Å; K91-R95 WeakPolarHBondContact O-CG 3.29Å; K91-R95 PolarHBondContact O-N 3.21Å; K91-R95 VanDerWaalsContact O-N 3.12Å
92	I	97	Very high	94.6	Very high	22 Å²	22	51.4 Å²	51.4	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-43.1	176.3	-69.4	165.9	0	0	0	110.3	D82 K88 V89 Y90 R95 A96 A251 F252	D82-I92 HydrophobicContact CB-CD1 3.78Å; K88-I92 VanDerWaalsContact O-CG1 3.26Å; K88-I92 WeakPolarHBondContact O-CG1 3.2Å; K88-I92 PolarHBondContact O-N 3.41Å; V89-I92 PolarHBondContact O-N 2.89Å; Y90-I92 VanDerWaalsContact C-N 3.3Å; Y90-I92 PolarHBondContact O-N 3.38Å; I92-R95 PolarHBondContact O-N 2.84Å; I92-A96 WeakPolarHBondContact O-CB 3.39Å; I92-A96 PolarHBondContact O-N 3.5Å; I92-A251 HydrophobicContact CG2-CB 3.73Å; I92-F252 HydrophobicContact CB-CE1 4.03Å; I92-F252 HydrophobicContact CB-CE2 4.39Å; I92-F252 HydrophobicContact CB-CZ 3.84Å; I92-F252 HydrophobicContact CD1-CD1 4.1Å; I92-F252 HydrophobicContact CD1-CE1 3.8Å; I92-F252 HydrophobicContact CD1-CZ 4.49Å; I92-F252 HydrophobicContact CG2-CD1 4.19Å; I92-F252 HydrophobicContact CG2-CD2 4.03Å; I92-F252 HydrophobicContact CG2-CE1 3.89Å; I92-F252 HydrophobicContact CG2-CE2 3.71Å; I92-F252 HydrophobicContact CG2-CG 4.27Å; I92-F252 HydrophobicContact CG2-CZ 3.63Å
93	L	97.2	Very high	94.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177.5	-70.2	168	0	0	0	111.9	V89 Y90 A96 Y97 I98 L100 I248 F252 V270 V273	V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 VanDerWaalsContact O-CG 3.31Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.06Å; Y90-L93 WeakPolarHBondContact O-CB 3.44Å; Y90-L93 PolarHBondContact O-N 2.85Å; Y90-L93 VanDerWaalsContact O-N 3.13Å; L93-A96 CarbonylContact O-C 3.51Å; L93-A96 PolarHBondContact O-N 3.14Å; L93-Y97 PolarHBondContact O-N 2.82Å; L93-I98 HydrophobicContact CB-CB 4.33Å; L93-I98 HydrophobicContact CD2-CB 4.05Å; L93-I98 HydrophobicContact CD2-CD1 3.55Å; L93-I98 HydrophobicContact CD2-CG1 4.42Å; L93-I98 HydrophobicContact CD2-CG2 3.95Å; L93-I98 PolarHBondContact O-N 2.89Å; L93-L100 HydrophobicContact CB-CD1 4.09Å; L93-L100 HydrophobicContact CB-CD2 4.01Å; L93-L100 HydrophobicContact CB-CG 4.19Å; L93-L100 HydrophobicContact CD1-CD2 3.5Å; L93-L100 HydrophobicContact CG-CD2 4.36Å; L93-I248 HydrophobicContact CD2-CG1 4.04Å; L93-F252 HydrophobicContact CD2-CE2 3.75Å; L93-F252 HydrophobicContact CD2-CZ 4.28Å; L93-F252 HydrophobicContact CG-CE2 4Å; L93-F252 HydrophobicContact CG-CZ 4.02Å; L93-V270 HydrophobicContact CD1-CB 4.49Å; L93-V270 HydrophobicContact CD1-CG1 4.03Å; L93-V270 HydrophobicContact CD2-CG1 4.25Å; L93-V273 HydrophobicContact CD1-CG2 4.02Å; L93-V273 HydrophobicContact CD2-CG2 4.17Å
94	E	95.4	Very high	94.9	Very high	93 Å²	93	52.7 Å²	52.7	44%	0.435	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-47.7	175.5	-72.5	176.7	154.2	0	0	112.3	Y90 A96 Y97 L100 Y103	Y90-E94 WeakPolarHBondContact O-CG 3.11Å; Y90-E94 PolarHBondContact O-N 3.44Å; E94-A96 PolarHBondContact O-N 2.94Å; E94-Y97 WeakPolarHBondContact O-CA 3.49Å; E94-Y97 PolarHBondContact O-N 3.37Å; E94-L100 HydrophobicContact CG-CD1 3.7Å; E94-Y103 WeakPolarHBondContact OE1-CE1 3.36Å; E94-Y103 VanDerWaalsContact OE1-CZ 3.24Å; E94-Y103 PolarHBondContact OE1-OH 2.9Å; E94-Y103 PolarHBondContact OE2-OH 3.43Å; E94-Y103 VanDerWaalsContact OE2-OH 3.1Å
95	R	96.4	Very high	95	Very high	194 Å²	194	51.9 Å²	51.9	73%	0.732	23%	0.23	S	C	*	.	H	α-helix	trans	-61.4	-28.3	177	-72.7	170.3	-178.1	-178.7	-1.4	112.6	K91 I92 Y97	K91-R95 WeakPolarHBondContact O-CB 3.31Å; K91-R95 WeakPolarHBondContact O-CD 3.41Å; K91-R95 WeakPolarHBondContact O-CG 3.29Å; K91-R95 PolarHBondContact O-N 3.21Å; K91-R95 VanDerWaalsContact O-N 3.12Å; I92-R95 PolarHBondContact O-N 2.84Å; R95-Y97 VanDerWaalsContact C-N 3.28Å
96	A	93.6	Very high	94.8	Very high	21 Å²	21	50.7 Å²	50.7	17%	0.174	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.4	174.8	0	0	0	0	0	113.5	I92 L93 E94 I98 K247 A251	I92-A96 WeakPolarHBondContact O-CB 3.39Å; I92-A96 PolarHBondContact O-N 3.5Å; L93-A96 CarbonylContact O-C 3.51Å; L93-A96 PolarHBondContact O-N 3.14Å; E94-A96 PolarHBondContact O-N 2.94Å; A96-I98 VanDerWaalsContact C-N 3.29Å; A96-I98 HydrophobicContact CB-CD1 3.83Å; A96-I98 HydrophobicContact CB-CG1 4.08Å; A96-I98 PolarHBondContact O-N 3.37Å; A96-K247 PolarHBondContact O-NZ 3.3Å; A96-A251 HydrophobicContact CB-CB 3.88Å
97	Y	93.7	Very high	94.6	Very high	199 Å²	199	53.4 Å²	53.4	78%	0.78	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	48.2	-173.8	-53.5	-89.5	0	0	0	111.3	L93 E94 R95 K247	L93-Y97 PolarHBondContact O-N 2.82Å; E94-Y97 WeakPolarHBondContact O-CA 3.49Å; E94-Y97 PolarHBondContact O-N 3.37Å; R95-Y97 VanDerWaalsContact C-N 3.28Å; Y97-K247 PolarHBondContact O-NZ 3.39Å; Y97-K247 VanDerWaalsContact O-NZ 3.1Å
98	I	94.3	Very high	94	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.036	24%	0.243	C	C	.	.			trans	-101.6	128.8	171.3	-64.4	164.7	0	0	0	107.5	L93 A96 L100 I244 K247 I248 V270	L93-I98 HydrophobicContact CB-CB 4.33Å; L93-I98 HydrophobicContact CD2-CB 4.05Å; L93-I98 HydrophobicContact CD2-CD1 3.55Å; L93-I98 HydrophobicContact CD2-CG1 4.42Å; L93-I98 HydrophobicContact CD2-CG2 3.95Å; L93-I98 PolarHBondContact O-N 2.89Å; A96-I98 VanDerWaalsContact C-N 3.29Å; A96-I98 HydrophobicContact CB-CD1 3.83Å; A96-I98 HydrophobicContact CB-CG1 4.08Å; A96-I98 PolarHBondContact O-N 3.37Å; I98-L100 PolarHBondContact O-N 3.01Å; I98-I244 HydrophobicContact CG2-CG1 4.4Å; I98-I244 HydrophobicContact CG2-CG2 3.88Å; I98-K247 HydrophobicContact CD1-CB 3.75Å; I98-K247 HydrophobicContact CG1-CB 4.04Å; I98-K247 HydrophobicContact CG1-CD 3.99Å; I98-I248 HydrophobicContact CD1-CG1 3.71Å; I98-V270 HydrophobicContact CG2-CB 4.08Å; I98-V270 HydrophobicContact CG2-CG2 3.63Å
99	E	92.5	Very high	92.8	Very high	63 Å²	63	59.2 Å²	59.2	29%	0.294	26%	0.261	S	S	.	.			trans	-67.8	131.4	-178.9	-72.7	-170.2	-171.8	0	0	111.6	R240 F269 V270	E99-R240 IonicContact OE1-CZ 3.67Å; E99-R240 IonicContact OE1-NH2 3.22Å; E99-R240 PolarHBondContact OE1-NH2 2.81Å; E99-R240 IonicContact OE2-NH2 3.25Å; E99-R240 PolarHBondContact OE2-NH2 3.27Å; E99-F269 HydrophobicContact CB-CD1 3.94Å; E99-F269 HydrophobicContact CB-CE1 4.24Å; E99-V270 PolarHBondContact O-N 3.02Å
100	L	93.8	Very high	91.3	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.12	28%	0.278	C	S	.	.			trans	-114.9	155.1	173.3	-67.1	166.9	0	0	0	108.3	Y90 L93 E94 I98 Y103 V270	Y90-L100 HydrophobicContact CD1-CD1 4.07Å; Y90-L100 HydrophobicContact CD1-CD2 4.41Å; Y90-L100 HydrophobicContact CG-CD1 4.15Å; Y90-L100 HydrophobicContact CG-CD2 4.4Å; L93-L100 HydrophobicContact CB-CD1 4.09Å; L93-L100 HydrophobicContact CB-CD2 4.01Å; L93-L100 HydrophobicContact CB-CG 4.19Å; L93-L100 HydrophobicContact CD1-CD2 3.5Å; L93-L100 HydrophobicContact CG-CD2 4.36Å; E94-L100 HydrophobicContact CG-CD1 3.7Å; I98-L100 PolarHBondContact O-N 3.01Å; L100-Y103 HydrophobicContact CD1-CD1 4.36Å; L100-Y103 HydrophobicContact CD1-CE1 3.76Å; L100-V270 WeakPolarHBondContact CD2-O 3.3Å
101	P	93.7	Very high	89.5	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.006	32%	0.323	C	S	.	.			trans	-55.6	146.5	160	-20.2	34.2	0	0	0	110.2	Y103 E188 M191 F269	P101-Y103 WeakPolarHBondContact O-CD1 3.45Å; P101-Y103 PolarHBondContact O-N 2.93Å; P101-E188 HydrophobicContact CB-CB 4.45Å; P101-M191 HydrophobicContact CB-CE 3.69Å; P101-M191 HydrophobicContact CB-CG 4.06Å; P101-M191 HydrophobicContact CG-CE 4.5Å; P101-M191 HydrophobicContact CG-CG 3.96Å; P101-F269 HydrophobicContact CG-CB 4.21Å
102	R	94.5	Very high	87.5	Confident	106 Å²	106	71.9 Å²	71.9	40%	0.4	33%	0.331	S	S	.	.			trans	-55.7	130.5	174.6	-174.6	177.2	67.5	96.1	-3.9	108.6	N130 F131 E188 E189	R102-N130 VanDerWaalsContact CZ-O 3.31Å; R102-N130 PolarHBondContact NH1-O 3.08Å; R102-N130 PolarHBondContact NH2-O 3.2Å; R102-F131 HydrophobicContact CG-CE1 4.36Å; R102-F131 HydrophobicContact CG-CZ 4.44Å; R102-F131 WeakPolarHBondContact O-CE1 3.49Å; R102-E188 CarbonylContact O-C 3.54Å; R102-E188 VanDerWaalsContact O-CA 3.24Å; R102-E188 WeakPolarHBondContact O-CA 3.3Å; R102-E189 HydrophobicContact CB-CB 4.12Å; R102-E189 WeakPolarHBondContact CB-OE2 3.46Å; R102-E189 IonicContact CZ-OE2 3.29Å; R102-E189 IonicContact NE-OE2 3.72Å; R102-E189 PolarHBondContact NE-OE2 3.23Å; R102-E189 IonicContact NH2-OE2 3.02Å; R102-E189 PolarHBondContact O-N 2.9Å
103	Y	95.9	Very high	85.5	Confident	44 Å²	44	76.8 Å²	76.8	17%	0.173	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	164.9	-175.4	78.4	-80.7	0	0	0	112.3	Y90 E94 L100 P101 V105 I186 Y187	Y90-Y103 AromaticContact CD1-CD1 3.61Å; Y90-Y103 HydrophobicContact CD1-CD1 3.61Å; Y90-Y103 AromaticContact CD1-CD2 3.6Å; Y90-Y103 HydrophobicContact CD1-CD2 3.6Å; Y90-Y103 AromaticContact CD1-CE1 3.65Å; Y90-Y103 HydrophobicContact CD1-CE1 3.65Å; Y90-Y103 AromaticContact CD1-CE2 3.61Å; Y90-Y103 HydrophobicContact CD1-CE2 3.61Å; Y90-Y103 AromaticContact CD1-CG 3.6Å; Y90-Y103 HydrophobicContact CD1-CG 3.6Å; Y90-Y103 AromaticContact CD1-CZ 3.66Å; Y90-Y103 HydrophobicContact CE1-CD1 4.02Å; Y90-Y103 HydrophobicContact CE1-CD2 4.07Å; Y90-Y103 HydrophobicContact CE1-CE1 4.5Å; Y90-Y103 AromaticContact CE1-CG 3.81Å; Y90-Y103 HydrophobicContact CE1-CG 3.81Å; Y90-Y103 HydrophobicContact CG-CE1 4.49Å; Y90-Y103 HydrophobicContact CG-CE2 4.33Å; E94-Y103 WeakPolarHBondContact OE1-CE1 3.36Å; E94-Y103 VanDerWaalsContact OE1-CZ 3.24Å; E94-Y103 PolarHBondContact OE1-OH 2.9Å; E94-Y103 PolarHBondContact OE2-OH 3.43Å; E94-Y103 VanDerWaalsContact OE2-OH 3.1Å; L100-Y103 HydrophobicContact CD1-CD1 4.36Å; L100-Y103 HydrophobicContact CD1-CE1 3.76Å; P101-Y103 WeakPolarHBondContact O-CD1 3.45Å; P101-Y103 PolarHBondContact O-N 2.93Å; Y103-V105 HydrophobicContact CD2-CG2 4.3Å; Y103-V105 HydrophobicContact CE2-CG2 4Å; Y103-I186 HydrophobicContact CD2-CG2 3.84Å; Y103-I186 HydrophobicContact CG-CG2 4.31Å; Y103-Y187 CarbonylContact C-O 3.52Å; Y103-Y187 WeakPolarHBondContact CA-O 3.3Å; Y103-Y187 WeakPolarHBondContact CB-O 3.31Å
104	T	94.9	Very high	83.7	Confident	21 Å²	21	85.4 Å²	85.4	13%	0.129	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.3	169.4	-168.2	0	0	0	0	110	V126 V129 F131 I186 Y187	T104-V126 HydrophobicContact CG2-CB 3.57Å; T104-V126 HydrophobicContact CG2-CG1 3.52Å; T104-V126 HydrophobicContact CG2-CG2 4.47Å; T104-V129 HydrophobicContact CG2-CB 4.46Å; T104-F131 HydrophobicContact CG2-CD2 4.22Å; T104-F131 HydrophobicContact CG2-CE2 3.38Å; T104-F131 HydrophobicContact CG2-CZ 4.07Å; T104-I186 WeakPolarHBondContact O-CA 3.21Å; T104-Y187 PolarHBondContact N-O 2.86Å; T104-Y187 PolarHBondContact O-N 3.03Å
105	V	93.4	Very high	82.4	Confident	33 Å²	33	83 Å²	83	20%	0.2	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.8	-175.9	-169.8	0	0	0	0	109.9	I87 Y103 L107 N127 I140 I186	I87-V105 HydrophobicContact CD1-CG1 3.58Å; I87-V105 HydrophobicContact CG1-CG1 3.83Å; I87-V105 HydrophobicContact CG1-CG2 4.3Å; Y103-V105 HydrophobicContact CD2-CG2 4.3Å; Y103-V105 HydrophobicContact CE2-CG2 4Å; V105-L107 HydrophobicContact CG1-CD2 4.01Å; V105-L107 HydrophobicContact CG1-CG 3.97Å; V105-N127 PolarHBondContact O-ND2 2.86Å; V105-N127 VanDerWaalsContact O-ND2 3.13Å; V105-I140 HydrophobicContact CG1-CD1 3.95Å; V105-I186 HydrophobicContact CG1-CG1 4.48Å; V105-I186 HydrophobicContact CG2-CG1 4.25Å
106	L	91.7	Very high	81.8	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111	171.3	-173.7	74.4	0	0	0	109.4	R108 C115 L117 V126 S184 Y185 Y187	L106-R108 HydrophobicContact CD2-CG 4.41Å; L106-R108 VanDerWaalsContact CD2-CZ 3.43Å; L106-R108 HydrophobicContact CG-CG 4.34Å; L106-C115 HydrophobicContact CD1-CB 4.21Å; L106-C115 WeakPolarHBondContact CD1-SG 3.46Å; L106-L117 HydrophobicContact CD1-CB 4.28Å; L106-L117 HydrophobicContact CD2-CB 4.21Å; L106-L117 HydrophobicContact CD2-CD2 4.01Å; L106-V126 HydrophobicContact CB-CG1 3.88Å; L106-V126 HydrophobicContact CD1-CG1 3.95Å; L106-V126 HydrophobicContact CG-CG1 4.45Å; L106-S184 CarbonylContact O-C 3.58Å; L106-S184 VanDerWaalsContact O-CA 3.32Å; L106-S184 WeakPolarHBondContact O-CA 3.45Å; L106-S184 WeakPolarHBondContact O-CB 3.02Å; L106-Y185 PolarHBondContact N-O 3.24Å; L106-Y185 PolarHBondContact O-N 3.46Å; L106-Y187 HydrophobicContact CB-CD2 4.28Å; L106-Y187 HydrophobicContact CB-CE2 3.87Å; L106-Y187 HydrophobicContact CD2-CE2 3.86Å
107	L	89	Confident	81.6	Confident	67 Å²	67	78.8 Å²	78.8	35%	0.351	39%	0.387	S	S	.	.			trans	-107.1	109.6	177	-65.7	178.1	0	0	0	109.8	I87 V105 C115 I140	I87-L107 HydrophobicContact CD1-CD2 3.77Å; V105-L107 HydrophobicContact CG1-CD2 4.01Å; V105-L107 HydrophobicContact CG1-CG 3.97Å; L107-C115 PolarHBondContact N-SG 3.19Å; L107-C115 PolarHBondContact O-SG 2.68Å; L107-I140 HydrophobicContact CD2-CD1 4.46Å; L107-I140 HydrophobicContact CD2-CG1 4.18Å
108	R	83.6	Confident	81.4	Confident	71 Å²	71	73.1 Å²	73.1	27%	0.268	37%	0.369	S	S	.	.	S	Bend	trans	-91.6	-24.5	-178.9	-63	-169.9	-177.2	115.9	-9.2	113.6	L106 L117 R180 K181 E182 G183 S184	L106-R108 HydrophobicContact CD2-CG 4.41Å; L106-R108 VanDerWaalsContact CD2-CZ 3.43Å; L106-R108 HydrophobicContact CG-CG 4.34Å; R108-L117 VanDerWaalsContact NH2-CD2 3.28Å; R108-R180 VanDerWaalsContact CZ-O 3.27Å; R108-R180 PolarHBondContact NH1-O 3.12Å; R108-R180 PolarHBondContact NH2-O 3.31Å; R108-K181 WeakPolarHBondContact CD-O 3.42Å; R108-K181 PolarHBondContact NE-O 3.39Å; R108-K181 PolarHBondContact NH1-O 3.06Å; R108-E182 PolarHBondContact NH1-O 3.41Å; R108-G183 WeakPolarHBondContact CD-O 3.2Å; R108-G183 WeakPolarHBondContact CG-O 3.46Å; R108-G183 PolarHBondContact NH1-O 3.31Å; R108-S184 PolarHBondContact N-OG 3.04Å
109	E	70.7	Confident	81.3	Confident	167 Å²	167	75.4 Å²	75.4	78%	0.78	38%	0.38	S	S	*	.	S	Bend	trans	-91.5	-4.8	-175.7	-68.1	170.3	-163.1	0	0	113.6
110	S	62.8	Low	81.2	Confident	53 Å²	53	76.9 Å²	76.9	37%	0.371	39%	0.386	S	S	.	.	S	Bend	trans	-77.7	141.8	175	58.3	0	0	0	0	110.7	N112	S110-N112 PolarHBondContact O-N 3.35Å
111	E	60.1	Low	80.6	Confident	204 Å²	204	82.6 Å²	82.6	95%	0.953	41%	0.413	S	S	*	.	S	Bend	trans	-59.4	8.1	173.2	-65.7	-176.2	163.7	0	0	114.8	P113	E111-P113 VanDerWaalsContact O-CD 3.23Å; E111-P113 WeakPolarHBondContact O-CD 3.34Å
112	N	53.9	Low	80.1	Confident	118 Å²	118	85 Å²	85	63%	0.631	43%	0.425	S	S	*	.			trans	-91.1	108.2	178.4	-117.3	-23	0	0	0	110.5	S110 K114	S110-N112 PolarHBondContact O-N 3.35Å; N112-K114 PolarHBondContact O-N 3.4Å; N112-K114 VanDerWaalsContact O-N 3.1Å
113	P	53.5	Low	80	Confident	125 Å²	125	80.4 Å²	80.4	81%	0.812	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	4.1	-173.6	28.6	-34.7	0	0	0	115	E111 C115	E111-P113 VanDerWaalsContact O-CD 3.23Å; E111-P113 WeakPolarHBondContact O-CD 3.34Å; P113-C115 PolarHBondContact O-N 3.19Å
114	K	60.3	Low	80	Confident	181 Å²	181	78.3 Å²	78.3	79%	0.787	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	15.3	-174.8	-73.2	-170.8	177.6	-178.3	0	115.1	N112 T116	N112-K114 PolarHBondContact O-N 3.4Å; N112-K114 VanDerWaalsContact O-N 3.1Å; K114-T116 PolarHBondContact O-N 3.28Å
115	C	69.1	Low	79.9	Confident	44 Å²	44	80.2 Å²	80.2	30%	0.297	41%	0.409	S	S	.	.			trans	-80.1	102	-180	-126.7	0	0	0	0	110.3	L106 L107 P113 N127	L106-C115 HydrophobicContact CD1-CB 4.21Å; L106-C115 WeakPolarHBondContact CD1-SG 3.46Å; L107-C115 PolarHBondContact N-SG 3.19Å; L107-C115 PolarHBondContact O-SG 2.68Å; P113-C115 PolarHBondContact O-N 3.19Å; C115-N127 WeakPolarHBondContact CA-OD1 3.47Å
116	T	82.8	Confident	79.9	Confident	72 Å²	72	78.7 Å²	78.7	44%	0.442	40%	0.4	S	S	.	.			trans	-104.6	122.4	179.2	56.9	0	0	0	0	110.2	K114 N127	K114-T116 PolarHBondContact O-N 3.28Å; T116-N127 PolarHBondContact N-OD1 2.86Å; T116-N127 VanDerWaalsContact N-OD1 3.14Å; T116-N127 PolarHBondContact O-N 3.43Å
117	L	89.4	Confident	79.7	Confident	53 Å²	53	81.6 Å²	81.6	28%	0.277	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.2	168.4	166.9	67.2	0	0	0	107.5	L106 R108 I124 E125 V126 V179	L106-L117 HydrophobicContact CD1-CB 4.28Å; L106-L117 HydrophobicContact CD2-CB 4.21Å; L106-L117 HydrophobicContact CD2-CD2 4.01Å; R108-L117 VanDerWaalsContact NH2-CD2 3.28Å; L117-I124 HydrophobicContact CD1-CB 4.22Å; L117-E125 WeakPolarHBondContact CA-O 3.34Å; L117-V126 HydrophobicContact CD1-CG2 3.54Å; L117-V179 HydrophobicContact CD1-CG2 4.26Å; L117-V179 HydrophobicContact CD2-CG2 3.72Å; L117-V179 HydrophobicContact CG-CG2 4.47Å
118	I	90.6	Very high	79.6	Confident	81 Å²	81	80.9 Å²	80.9	42%	0.415	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.1	173	-54.8	173.3	0	0	0	106.8	I124 E125	I118-I124 CarbonylContact O-C 3.58Å; I118-I124 WeakPolarHBondContact O-CA 3.46Å; I118-E125 HydrophobicContact CB-CB 4.24Å; I118-E125 PolarHBondContact N-O 2.95Å; I118-E125 PolarHBondContact O-N 3.24Å
119	E	91.6	Very high	80.1	Confident	55 Å²	55	80 Å²	80	26%	0.257	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.3	179.1	-178.9	165.4	-147.8	0	0	109.8	I124 R178 V179	E119-I124 HydrophobicContact CB-CG2 4.39Å; E119-I124 HydrophobicContact CG-CG2 4.11Å; E119-R178 VanDerWaalsContact CD-CD 3.43Å; E119-R178 WeakPolarHBondContact OE1-CA 3.22Å; E119-R178 WeakPolarHBondContact OE1-CD 3.15Å; E119-R178 VanDerWaalsContact OE2-CD 3.25Å; E119-R178 WeakPolarHBondContact OE2-CD 3.46Å; E119-V179 PolarHBondContact OE1-N 3.24Å
120	H	89.8	Confident	81.2	Confident	94 Å²	94	75.2 Å²	75.2	44%	0.435	41%	0.406	S	S	.	.			trans	-94.8	-178	171	-59	-78.6	0	0	0	110.2	A123	H120-A123 CarbonylContact C-O 3.42Å; H120-A123 WeakPolarHBondContact CA-O 3.42Å; H120-A123 HydrophobicContact CB-CB 4.41Å; H120-A123 WeakPolarHBondContact CB-O 3.26Å; H120-A123 PolarHBondContact N-O 3.5Å
121	E	81.9	Confident	82.8	Confident	143 Å²	143	72.8 Å²	72.8	67%	0.668	39%	0.389	S	S	*	.	S	Bend	trans	-61.5	-52.8	179.4	-170.8	172.5	-172.7	0	0	112	K133	E121-K133 PolarHBondContact O-NZ 3.37Å
122	D	83.6	Confident	84.2	Confident	50 Å²	50	68 Å²	68	27%	0.267	37%	0.37	S	S	.	.	S	Bend	trans	-119.9	15.4	-175.7	-84.9	-11.4	0	0	0	114.5	K133 S153	D122-K133 WeakPolarHBondContact O-CG 3.37Å; D122-K133 PolarHBondContact O-N 3.39Å; D122-S153 VanDerWaalsContact CG-N 3.29Å; D122-S153 VanDerWaalsContact OD1-CB 3.27Å; D122-S153 WeakPolarHBondContact OD1-CB 3.19Å; D122-S153 PolarHBondContact OD1-N 3.23Å; D122-S153 PolarHBondContact OD1-OG 2.59Å; D122-S153 WeakPolarHBondContact OD2-CB 3.38Å; D122-S153 PolarHBondContact OD2-N 2.82Å; D122-S153 VanDerWaalsContact OD2-N 3.14Å
123	A	91.4	Very high	85.7	Confident	11 Å²	11	63.1 Å²	63.1	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161.1	178.5	0	0	0	0	0	111.6	H120 N130 F131	H120-A123 CarbonylContact C-O 3.42Å; H120-A123 WeakPolarHBondContact CA-O 3.42Å; H120-A123 HydrophobicContact CB-CB 4.41Å; H120-A123 WeakPolarHBondContact CB-O 3.26Å; H120-A123 PolarHBondContact N-O 3.5Å; A123-N130 WeakPolarHBondContact CB-OD1 3.39Å; A123-F131 CarbonylContact C-O 3.58Å; A123-F131 VanDerWaalsContact CA-O 3.25Å; A123-F131 WeakPolarHBondContact CA-O 3.14Å
124	I	95.3	Very high	87.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.6	167.3	61.4	171.5	0	0	0	109.7	L117 I118 E119 V126 N130 F131 F135 V179 Y187	L117-I124 HydrophobicContact CD1-CB 4.22Å; I118-I124 CarbonylContact O-C 3.58Å; I118-I124 WeakPolarHBondContact O-CA 3.46Å; E119-I124 HydrophobicContact CB-CG2 4.39Å; E119-I124 HydrophobicContact CG-CG2 4.11Å; I124-V126 HydrophobicContact CD1-CG2 3.91Å; I124-V126 HydrophobicContact CG1-CG2 4.34Å; I124-N130 CarbonylContact O-C 3.53Å; I124-N130 WeakPolarHBondContact O-CA 3.48Å; I124-N130 PolarHBondContact O-OD1 3.32Å; I124-N130 VanDerWaalsContact O-OD1 3.1Å; I124-F131 HydrophobicContact CG1-CB 3.91Å; I124-F131 PolarHBondContact N-O 3.01Å; I124-F131 PolarHBondContact O-N 3.28Å; I124-F135 HydrophobicContact CB-CE1 4.36Å; I124-F135 HydrophobicContact CB-CZ 4.29Å; I124-F135 HydrophobicContact CD1-CD1 4.49Å; I124-F135 HydrophobicContact CD1-CD2 3.97Å; I124-F135 HydrophobicContact CD1-CE1 4.05Å; I124-F135 HydrophobicContact CD1-CE2 3.49Å; I124-F135 VanDerWaalsContact CD1-CE2 3.49Å; I124-F135 HydrophobicContact CD1-CG 4.47Å; I124-F135 HydrophobicContact CD1-CZ 3.55Å; I124-F135 HydrophobicContact CG1-CD1 4.22Å; I124-F135 HydrophobicContact CG1-CE1 3.74Å; I124-F135 HydrophobicContact CG1-CE2 4.14Å; I124-F135 HydrophobicContact CG1-CZ 3.73Å; I124-F135 HydrophobicContact CG2-CE1 3.92Å; I124-F135 HydrophobicContact CG2-CZ 3.62Å; I124-V179 HydrophobicContact CD1-CG1 4.36Å; I124-V179 HydrophobicContact CG2-CG1 3.97Å; I124-Y187 HydrophobicContact CD1-CD1 3.18Å; I124-Y187 HydrophobicContact CD1-CD2 4.29Å; I124-Y187 HydrophobicContact CD1-CE1 3.52Å; I124-Y187 HydrophobicContact CD1-CG 3.61Å
125	E	94.2	Very high	89.1	Confident	61 Å²	61	50.9 Å²	50.9	29%	0.285	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117	169.6	-169.5	-172.9	140.2	0	0	108.7	L117 I118 G128 V129	L117-E125 WeakPolarHBondContact CA-O 3.34Å; I118-E125 HydrophobicContact CB-CB 4.24Å; I118-E125 PolarHBondContact N-O 2.95Å; I118-E125 PolarHBondContact O-N 3.24Å; E125-G128 WeakPolarHBondContact OE1-CA 3.48Å; E125-V129 WeakPolarHBondContact CA-O 3.2Å
126	V	92.1	Very high	90.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.7	-178.6	175	0	0	0	0	108.2	T104 L106 L117 I124 G128 V129 Y187	T104-V126 HydrophobicContact CG2-CB 3.57Å; T104-V126 HydrophobicContact CG2-CG1 3.52Å; T104-V126 HydrophobicContact CG2-CG2 4.47Å; L106-V126 HydrophobicContact CB-CG1 3.88Å; L106-V126 HydrophobicContact CD1-CG1 3.95Å; L106-V126 HydrophobicContact CG-CG1 4.45Å; L117-V126 HydrophobicContact CD1-CG2 3.54Å; I124-V126 HydrophobicContact CD1-CG2 3.91Å; I124-V126 HydrophobicContact CG1-CG2 4.34Å; V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 2.8Å; V126-V129 PolarHBondContact N-O 3.35Å; V126-V129 WeakPolarHBondContact O-CB 3.21Å; V126-V129 PolarHBondContact O-N 3.25Å; V126-Y187 HydrophobicContact CB-CD2 4.41Å; V126-Y187 HydrophobicContact CG1-CD2 4.2Å; V126-Y187 HydrophobicContact CG2-CD2 3.67Å; V126-Y187 HydrophobicContact CG2-CE2 3.92Å; V126-Y187 HydrophobicContact CG2-CG 4.21Å
127	N	88.3	Confident	91.1	Very high	64 Å²	64	45.8 Å²	45.8	34%	0.342	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	44.3	-176.1	-61.1	-31.7	0	0	0	112.7	V105 C115 T116 V129	V105-N127 PolarHBondContact O-ND2 2.86Å; V105-N127 VanDerWaalsContact O-ND2 3.13Å; C115-N127 WeakPolarHBondContact CA-OD1 3.47Å; T116-N127 PolarHBondContact N-OD1 2.86Å; T116-N127 VanDerWaalsContact N-OD1 3.14Å; T116-N127 PolarHBondContact O-N 3.43Å; N127-V129 VanDerWaalsContact C-N 3.29Å; N127-V129 PolarHBondContact O-N 3.22Å
128	G	87.8	Confident	91.4	Very high	51 Å²	51	43.8 Å²	43.8	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-6.1	-178.5	0	0	0	0	0	115.3	E125 V126	E125-G128 WeakPolarHBondContact OE1-CA 3.48Å; V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 2.8Å
129	V	92.7	Very high	91.7	Very high	52 Å²	52	40.2 Å²	40.2	32%	0.315	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.9	-177.5	-172.6	0	0	0	0	110.1	T104 E125 V126 N127 F131	T104-V129 HydrophobicContact CG2-CB 4.46Å; E125-V129 WeakPolarHBondContact CA-O 3.2Å; V126-V129 PolarHBondContact N-O 3.35Å; V126-V129 WeakPolarHBondContact O-CB 3.21Å; V126-V129 PolarHBondContact O-N 3.25Å; N127-V129 VanDerWaalsContact C-N 3.29Å; N127-V129 PolarHBondContact O-N 3.22Å; V129-F131 HydrophobicContact CB-CE2 4.07Å; V129-F131 HydrophobicContact CG1-CD2 4.25Å; V129-F131 HydrophobicContact CG1-CE2 3.45Å; V129-F131 VanDerWaalsContact CG1-CE2 3.45Å; V129-F131 HydrophobicContact CG1-CZ 3.94Å
130	N	94.1	Very high	91.9	Very high	68 Å²	68	39 Å²	39	36%	0.364	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.8	179.9	-174	28.5	0	0	0	112.8	R102 A123 I124 N132	R102-N130 VanDerWaalsContact CZ-O 3.31Å; R102-N130 PolarHBondContact NH1-O 3.08Å; R102-N130 PolarHBondContact NH2-O 3.2Å; A123-N130 WeakPolarHBondContact CB-OD1 3.39Å; I124-N130 CarbonylContact O-C 3.53Å; I124-N130 WeakPolarHBondContact O-CA 3.48Å; I124-N130 PolarHBondContact O-OD1 3.32Å; I124-N130 VanDerWaalsContact O-OD1 3.1Å; N130-N132 PolarHBondContact ND2-OD1 3.17Å
131	F	95.9	Very high	92.1	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.1	171.7	-70.8	-91.5	0	0	0	109.6	R102 T104 A123 I124 V129 F135 E189	R102-F131 HydrophobicContact CG-CE1 4.36Å; R102-F131 HydrophobicContact CG-CZ 4.44Å; R102-F131 WeakPolarHBondContact O-CE1 3.49Å; T104-F131 HydrophobicContact CG2-CD2 4.22Å; T104-F131 HydrophobicContact CG2-CE2 3.38Å; T104-F131 HydrophobicContact CG2-CZ 4.07Å; A123-F131 CarbonylContact C-O 3.58Å; A123-F131 VanDerWaalsContact CA-O 3.25Å; A123-F131 WeakPolarHBondContact CA-O 3.14Å; I124-F131 HydrophobicContact CG1-CB 3.91Å; I124-F131 PolarHBondContact N-O 3.01Å; I124-F131 PolarHBondContact O-N 3.28Å; V129-F131 HydrophobicContact CB-CE2 4.07Å; V129-F131 HydrophobicContact CG1-CD2 4.25Å; V129-F131 HydrophobicContact CG1-CE2 3.45Å; V129-F131 VanDerWaalsContact CG1-CE2 3.45Å; V129-F131 HydrophobicContact CG1-CZ 3.94Å; F131-F135 HydrophobicContact CB-CB 4.11Å; F131-F135 HydrophobicContact CB-CD1 4.13Å; F131-F135 HydrophobicContact CB-CG 4.2Å; F131-E189 HydrophobicContact CE1-CB 4.4Å
132	N	90.8	Very high	92.4	Very high	105 Å²	105	31.1 Å²	31.1	56%	0.561	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	144.4	171.1	-60.7	-33.2	0	0	0	109.4	N130 P134	N130-N132 PolarHBondContact ND2-OD1 3.17Å; N132-P134 CarbonylContact O-C 3.55Å
133	K	85.3	Confident	92.7	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.065	20%	0.197	C	C	.	.	S	Bend	trans	-67.5	137.9	171.5	-64.3	178	-172.3	168.2	0	109.6	E121 D122 F135 Y151 P152 S177	E121-K133 PolarHBondContact O-NZ 3.37Å; D122-K133 WeakPolarHBondContact O-CG 3.37Å; D122-K133 PolarHBondContact O-N 3.39Å; K133-F135 HydrophobicContact CB-CD1 4.36Å; K133-F135 HydrophobicContact CB-CE1 4.48Å; K133-F135 HydrophobicContact CD-CE1 4.27Å; K133-F135 HydrophobicContact CG-CD1 3.66Å; K133-F135 HydrophobicContact CG-CE1 3.34Å; K133-F135 HydrophobicContact CG-CZ 4.29Å; K133-Y151 WeakPolarHBondContact CD-O 3.25Å; K133-P152 HydrophobicContact CB-CB 3.87Å; K133-P152 HydrophobicContact CB-CG 4.39Å; K133-S177 PolarHBondContact NZ-O 3.02Å; K133-S177 VanDerWaalsContact NZ-O 3.1Å
134	P	89.5	Confident	92.8	Very high	49 Å²	49	35.2 Å²	35.2	32%	0.318	21%	0.205	S	C	.	.	S	Bend	cis	-82.1	141.1	5.5	32.4	-33.7	0	0	0	114.6	N132 Y150 Y151 F190	N132-P134 CarbonylContact O-C 3.55Å; P134-Y150 WeakPolarHBondContact CA-O 3.4Å; P134-Y150 WeakPolarHBondContact CB-O 3.41Å; P134-Y151 HydrophobicContact CB-CD1 4.09Å; P134-F190 HydrophobicContact CB-CB 3.96Å; P134-F190 HydrophobicContact CB-CD1 4.14Å; P134-F190 HydrophobicContact CB-CG 4.11Å; P134-F190 HydrophobicContact CG-CB 4.07Å; P134-F190 HydrophobicContact CG-CD1 3.74Å; P134-F190 HydrophobicContact CG-CG 4.16Å; P134-F190 VanDerWaalsContact O-CB 3.28Å; P134-F190 WeakPolarHBondContact O-CB 3.44Å
135	F	94.7	Very high	92.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	162.5	171.8	63.7	-104.3	0	0	0	110	I124 F131 K133 I149 Y150 V179 Y187 E188	I124-F135 HydrophobicContact CB-CE1 4.36Å; I124-F135 HydrophobicContact CB-CZ 4.29Å; I124-F135 HydrophobicContact CD1-CD1 4.49Å; I124-F135 HydrophobicContact CD1-CD2 3.97Å; I124-F135 HydrophobicContact CD1-CE1 4.05Å; I124-F135 HydrophobicContact CD1-CE2 3.49Å; I124-F135 VanDerWaalsContact CD1-CE2 3.49Å; I124-F135 HydrophobicContact CD1-CG 4.47Å; I124-F135 HydrophobicContact CD1-CZ 3.55Å; I124-F135 HydrophobicContact CG1-CD1 4.22Å; I124-F135 HydrophobicContact CG1-CE1 3.74Å; I124-F135 HydrophobicContact CG1-CE2 4.14Å; I124-F135 HydrophobicContact CG1-CZ 3.73Å; I124-F135 HydrophobicContact CG2-CE1 3.92Å; I124-F135 HydrophobicContact CG2-CZ 3.62Å; F131-F135 HydrophobicContact CB-CB 4.11Å; F131-F135 HydrophobicContact CB-CD1 4.13Å; F131-F135 HydrophobicContact CB-CG 4.2Å; K133-F135 HydrophobicContact CB-CD1 4.36Å; K133-F135 HydrophobicContact CB-CE1 4.48Å; K133-F135 HydrophobicContact CD-CE1 4.27Å; K133-F135 HydrophobicContact CG-CD1 3.66Å; K133-F135 HydrophobicContact CG-CE1 3.34Å; K133-F135 HydrophobicContact CG-CZ 4.29Å; F135-I149 WeakPolarHBondContact O-CA 3.34Å; F135-Y150 HydrophobicContact CD2-CD2 4.01Å; F135-Y150 AromaticContact CE2-CD2 3.33Å; F135-Y150 HydrophobicContact CE2-CD2 3.33Å; F135-Y150 HydrophobicContact CE2-CE2 4.13Å; F135-Y150 AromaticContact CE2-CG 3.86Å; F135-Y150 HydrophobicContact CE2-CG 3.86Å; F135-Y150 AromaticContact CZ-CD2 3.89Å; F135-Y150 HydrophobicContact CZ-CD2 3.89Å; F135-Y150 AromaticContact CZ-CG 3.95Å; F135-Y150 HydrophobicContact CZ-CG 3.95Å; F135-Y150 PolarHBondContact N-O 2.65Å; F135-Y150 PolarHBondContact O-N 3.11Å; F135-V179 HydrophobicContact CE2-CG1 3.82Å; F135-V179 HydrophobicContact CZ-CG1 3.74Å; F135-Y187 HydrophobicContact CD2-CD1 4.1Å; F135-Y187 AromaticContact CE2-CD1 3.96Å; F135-Y187 HydrophobicContact CE2-CD1 3.96Å; F135-Y187 HydrophobicContact CE2-CE1 4.21Å; F135-E188 WeakPolarHBondContact CA-O 3.31Å; F135-E188 WeakPolarHBondContact CB-O 3.22Å
136	V	96.7	Very high	92.6	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.7	-178	-172.5	0	0	0	0	109.9	K138 I147 Y148 I149 Y187 E188 F190	V136-K138 HydrophobicContact CG1-CG 4.14Å; V136-I147 HydrophobicContact CG1-CG2 3.34Å; V136-Y148 CarbonylContact C-O 3.58Å; V136-Y148 WeakPolarHBondContact CA-O 3.35Å; V136-I149 HydrophobicContact CG1-CG1 4.19Å; V136-I149 HydrophobicContact CG2-CG1 4.1Å; V136-I149 HydrophobicContact CG2-CG2 4.36Å; V136-Y187 CarbonylContact O-C 3.59Å; V136-Y187 WeakPolarHBondContact O-CA 3.49Å; V136-E188 HydrophobicContact CB-CG 3.57Å; V136-E188 HydrophobicContact CG1-CG 4.27Å; V136-E188 HydrophobicContact CG2-CG 4.22Å; V136-E188 PolarHBondContact N-O 3.34Å; V136-E188 PolarHBondContact O-N 2.84Å; V136-F190 HydrophobicContact CG2-CB 4.09Å; V136-F190 HydrophobicContact CG2-CD2 3.81Å; V136-F190 HydrophobicContact CG2-CG 4.46Å
137	E	97.6	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.3	174.1	-176.5	-168.9	73.6	0	0	109.4	I147 Y148 Y150 R180 Y185 I186 Y187	E137-I147 WeakPolarHBondContact O-CA 3.39Å; E137-Y148 PolarHBondContact N-O 3.3Å; E137-Y148 PolarHBondContact O-N 2.95Å; E137-Y150 HydrophobicContact CB-CE2 3.95Å; E137-R180 IonicContact OE1-CZ 2.64Å; E137-R180 IonicContact OE1-NE 3.21Å; E137-R180 PolarHBondContact OE1-NE 3.01Å; E137-R180 IonicContact OE1-NH2 3.91Å; E137-R180 PolarHBondContact OE1-NH2 3.34Å; E137-R180 PolarHBondContact OE2-N 3.18Å; E137-Y185 HydrophobicContact CG-CD1 3.93Å; E137-Y185 HydrophobicContact CG-CD2 4.31Å; E137-Y185 HydrophobicContact CG-CG 3.73Å; E137-I186 CarbonylContact C-O 3.56Å; E137-I186 WeakPolarHBondContact CA-O 3.34Å; E137-Y187 HydrophobicContact CB-CD1 3.9Å; E137-Y187 HydrophobicContact CB-CE1 3.72Å; E137-Y187 HydrophobicContact CG-CD1 3.96Å; E137-Y187 HydrophobicContact CG-CE1 3.42Å; E137-Y187 VanDerWaalsContact CG-CE1 3.42Å; E137-Y187 WeakPolarHBondContact OE2-CE1 3.5Å; E137-Y187 VanDerWaalsContact OE2-CZ 3.23Å; E137-Y187 PolarHBondContact OE2-OH 3.24Å
138	K	96.5	Very high	93.2	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.5	-179.1	-70	176.6	170.1	167.3	0	110.7	Y90 V136 I147 Y185 I186 E188 C271	Y90-K138 PolarHBondContact OH-NZ 3.2Å; V136-K138 HydrophobicContact CG1-CG 4.14Å; K138-I147 HydrophobicContact CG-CD1 4.21Å; K138-I147 HydrophobicContact CG-CG1 4.07Å; K138-I147 HydrophobicContact CG-CG2 3.79Å; K138-Y185 CarbonylContact O-C 3.57Å; K138-Y185 VanDerWaalsContact O-CA 3.29Å; K138-Y185 WeakPolarHBondContact O-CA 3.4Å; K138-I186 HydrophobicContact CB-CB 4.37Å; K138-I186 PolarHBondContact N-O 3.18Å; K138-I186 PolarHBondContact O-N 3.02Å; K138-E188 VanDerWaalsContact CE-CD 3.46Å; K138-E188 WeakPolarHBondContact CE-OE1 3.49Å; K138-E188 WeakPolarHBondContact CE-OE2 3.44Å; K138-E188 IonicContact NZ-OE1 3.52Å; K138-E188 PolarHBondContact NZ-OE1 2.91Å; K138-E188 IonicContact NZ-OE2 3.66Å; K138-E188 PolarHBondContact NZ-OE2 3.01Å; K138-C271 PolarHBondContact NZ-O 2.64Å; K138-C271 VanDerWaalsContact NZ-O 3.09Å
139	P	96.6	Very high	93.4	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.032	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	148.5	169.5	-23.6	33	0	0	0	112.2	R86 S141 D144 N146 Y185	R86-P139 WeakPolarHBondContact CD-O 3.21Å; R86-P139 PolarHBondContact NH1-O 3.26Å; P139-S141 VanDerWaalsContact C-N 3.28Å; P139-S141 PolarHBondContact O-N 3.34Å; P139-D144 HydrophobicContact CB-CB 3.74Å; P139-D144 WeakPolarHBondContact CB-OD2 3.5Å; P139-D144 HydrophobicContact CG-CB 3.89Å; P139-D144 VanDerWaalsContact CG-CG 3.48Å; P139-D144 WeakPolarHBondContact CG-OD2 3.39Å; P139-N146 WeakPolarHBondContact CD-O 3.27Å; P139-N146 WeakPolarHBondContact CG-O 3.19Å; P139-Y185 HydrophobicContact CB-CD1 4.4Å; P139-Y185 HydrophobicContact CB-CE1 4.3Å; P139-Y185 HydrophobicContact CG-CD1 4.41Å; P139-Y185 HydrophobicContact CG-CE1 4.19Å
140	I	94.7	Very high	93.5	Very high	30 Å²	30	34.1 Å²	34.1	15%	0.154	18%	0.183	C	C	.	.	S	Bend	trans	-60.6	-40.2	175.7	-60.3	-39.8	0	0	0	111.7	R86 I87 V105 L107 A142 S184 Y185 I186	R86-I140 PolarHBondContact N-O 2.89Å; I87-I140 HydrophobicContact CD1-CB 4.42Å; I87-I140 HydrophobicContact CD1-CD1 3.71Å; I87-I140 HydrophobicContact CD1-CG1 3.99Å; I87-I140 HydrophobicContact CD1-CG2 3.57Å; I87-I140 HydrophobicContact CG1-CD1 3.89Å; I87-I140 HydrophobicContact CG1-CG2 3.94Å; V105-I140 HydrophobicContact CG1-CD1 3.95Å; L107-I140 HydrophobicContact CD2-CD1 4.46Å; L107-I140 HydrophobicContact CD2-CG1 4.18Å; I140-A142 PolarHBondContact O-N 3.43Å; I140-S184 WeakPolarHBondContact CG1-O 3.21Å; I140-S184 PolarHBondContact N-O 3.42Å; I140-Y185 VanDerWaalsContact CD1-C 3.46Å; I140-I186 HydrophobicContact CD1-CD1 4.42Å; I140-I186 HydrophobicContact CD1-CG1 3.75Å
141	S	93.8	Very high	92.9	Very high	54 Å²	54	33 Å²	33	38%	0.378	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-68.1	120.7	176.5	176.5	0	0	0	0	110.3	R86 P139 E143 D144	R86-S141 PolarHBondContact NH1-O 3.42Å; P139-S141 VanDerWaalsContact C-N 3.28Å; P139-S141 PolarHBondContact O-N 3.34Å; S141-E143 PolarHBondContact O-N 3.41Å; S141-E143 PolarHBondContact OG-N 3.12Å; S141-D144 PolarHBondContact O-N 2.81Å; S141-D144 VanDerWaalsContact O-N 3.15Å
142	A	89.9	Confident	91.9	Very high	18 Å²	18	33.9 Å²	33.9	15%	0.149	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.1	176.4	0	0	0	0	0	112.6	L83 L84 R86 I140 D144	L83-A142 WeakPolarHBondContact O-CB 3.36Å; L84-A142 PolarHBondContact O-N 3.3Å; R86-A142 HydrophobicContact CG-CB 4.02Å; R86-A142 PolarHBondContact NH2-O 3.21Å; I140-A142 PolarHBondContact O-N 3.43Å; A142-D144 VanDerWaalsContact C-N 3.34Å
143	E	89	Confident	91.1	Very high	95 Å²	95	31.3 Å²	31.3	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.2	176.7	-62.2	-160.5	110.5	0	0	113.1	H53 L84 S141 H145	H53-E143 IonicContact CE1-OE1 3.36Å; H53-E143 PolarHBondContact CE1-OE1 3.03Å; L84-E143 HydrophobicContact CD2-CG 4.17Å; S141-E143 PolarHBondContact O-N 3.41Å; S141-E143 PolarHBondContact OG-N 3.12Å; E143-H145 PolarHBondContact O-CE1 3.14Å; E143-H145 VanDerWaalsContact O-CE1 3.27Å; E143-H145 PolarHBondContact O-N 3.38Å; E143-H145 PolarHBondContact O-ND1 3.4Å
144	D	92.3	Very high	90	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.273	20%	0.204	S	C	.	.			trans	-82.3	116.7	171.8	-173.4	0.2	0	0	0	109.9	R86 P139 S141 A142 N146	R86-D144 PolarHBondContact NH1-O 3.23Å; R86-D144 PolarHBondContact NH2-O 3.05Å; P139-D144 HydrophobicContact CB-CB 3.74Å; P139-D144 WeakPolarHBondContact CB-OD2 3.5Å; P139-D144 HydrophobicContact CG-CB 3.89Å; P139-D144 VanDerWaalsContact CG-CG 3.48Å; P139-D144 WeakPolarHBondContact CG-OD2 3.39Å; S141-D144 PolarHBondContact O-N 2.81Å; S141-D144 VanDerWaalsContact O-N 3.15Å; A142-D144 VanDerWaalsContact C-N 3.34Å; D144-N146 VanDerWaalsContact OD1-CB 3.26Å; D144-N146 WeakPolarHBondContact OD1-CB 3.47Å; D144-N146 PolarHBondContact OD1-N 2.74Å; D144-N146 PolarHBondContact OD1-ND2 3.27Å
145	H	90.9	Very high	88.5	Confident	64 Å²	64	37.2 Å²	37.2	30%	0.296	22%	0.218	S	C	.	.			trans	-95.7	4.6	-177.4	-63.1	64.5	0	0	0	112.4	E143 I147 L162 F163 R164	E143-H145 PolarHBondContact O-CE1 3.14Å; E143-H145 VanDerWaalsContact O-CE1 3.27Å; E143-H145 PolarHBondContact O-N 3.38Å; E143-H145 PolarHBondContact O-ND1 3.4Å; H145-I147 VanDerWaalsContact C-N 3.27Å; H145-I147 PolarHBondContact O-N 3.05Å; H145-L162 CarbonylContact O-C 3.58Å; H145-F163 WeakPolarHBondContact O-CA 3.15Å; H145-R164 HydrophobicContact CB-CB 4.29Å; H145-R164 PolarHBondContact CE1-NH1 3.17Å; H145-R164 PolarHBondContact NE2-NH1 2.92Å
146	N	95.3	Very high	86.7	Confident	68 Å²	68	40.2 Å²	40.2	36%	0.364	25%	0.249	S	C	.	.			trans	-77.8	76.6	178.3	-63.5	-59.1	0	0	0	110.9	P139 D144 Y148 L162 R180	P139-N146 WeakPolarHBondContact CD-O 3.27Å; P139-N146 WeakPolarHBondContact CG-O 3.19Å; D144-N146 VanDerWaalsContact OD1-CB 3.26Å; D144-N146 WeakPolarHBondContact OD1-CB 3.47Å; D144-N146 PolarHBondContact OD1-N 2.74Å; D144-N146 PolarHBondContact OD1-ND2 3.27Å; N146-Y148 HydrophobicContact CB-CE1 4.21Å; N146-L162 VanDerWaalsContact CA-O 3.31Å; N146-L162 WeakPolarHBondContact CA-O 3.45Å; N146-R180 PolarHBondContact O-NH1 2.91Å; N146-R180 PolarHBondContact O-NH2 3.37Å; N146-R180 VanDerWaalsContact O-NH2 3.09Å
147	I	96	Very high	85.8	Confident	30 Å²	30	40.1 Å²	40.1	15%	0.154	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126	-177.5	-59.8	172.9	0	0	0	108.8	V136 E137 K138 H145 L162	V136-I147 HydrophobicContact CG1-CG2 3.34Å; E137-I147 WeakPolarHBondContact O-CA 3.39Å; K138-I147 HydrophobicContact CG-CD1 4.21Å; K138-I147 HydrophobicContact CG-CG1 4.07Å; K138-I147 HydrophobicContact CG-CG2 3.79Å; H145-I147 VanDerWaalsContact C-N 3.27Å; H145-I147 PolarHBondContact O-N 3.05Å; I147-L162 HydrophobicContact CB-CB 4.21Å; I147-L162 PolarHBondContact N-O 3.39Å; I147-L162 WeakPolarHBondContact O-CA 3.47Å; I147-L162 VanDerWaalsContact O-CB 3.32Å; I147-L162 WeakPolarHBondContact O-CB 3.35Å; I147-L162 PolarHBondContact O-N 3.19Å
148	Y	97	Very high	85.2	Confident	35 Å²	35	40.1 Å²	40.1	14%	0.137	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.4	-175.6	-62.9	-9.1	0	0	0	110.7	V136 E137 N146 Y150 Q160 R161 R180	V136-Y148 CarbonylContact C-O 3.58Å; V136-Y148 WeakPolarHBondContact CA-O 3.35Å; E137-Y148 PolarHBondContact N-O 3.3Å; E137-Y148 PolarHBondContact O-N 2.95Å; N146-Y148 HydrophobicContact CB-CE1 4.21Å; Y148-Y150 WeakPolarHBondContact CD2-OH 3.12Å; Y148-Q160 CarbonylContact C-O 3.59Å; Y148-Q160 WeakPolarHBondContact CA-O 3.41Å; Y148-R161 HydrophobicContact CD1-CB 3.81Å; Y148-R161 HydrophobicContact CD1-CG 3.77Å; Y148-R161 HydrophobicContact CE1-CB 3.75Å; Y148-R161 HydrophobicContact CE1-CG 3.8Å; Y148-R161 HydrophobicContact CG-CG 4.26Å; Y148-R180 HydrophobicContact CD2-CG 4.14Å; Y148-R180 VanDerWaalsContact CE2-CD 3.44Å; Y148-R180 HydrophobicContact CE2-CG 3.8Å
149	I	92.6	Very high	84.9	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.6	177.5	-50.9	176.7	0	0	0	106.9	F135 V136 Y151 S159 Q160 L162 F190 A217	F135-I149 WeakPolarHBondContact O-CA 3.34Å; V136-I149 HydrophobicContact CG1-CG1 4.19Å; V136-I149 HydrophobicContact CG2-CG1 4.1Å; V136-I149 HydrophobicContact CG2-CG2 4.36Å; I149-Y151 HydrophobicContact CG2-CE1 3.92Å; I149-S159 CarbonylContact O-C 3.58Å; I149-S159 WeakPolarHBondContact O-CA 3.17Å; I149-S159 VanDerWaalsContact O-CB 3.3Å; I149-S159 WeakPolarHBondContact O-CB 3.38Å; I149-Q160 HydrophobicContact CB-CB 4.23Å; I149-Q160 PolarHBondContact N-O 2.86Å; I149-Q160 PolarHBondContact O-N 2.74Å; I149-L162 HydrophobicContact CD1-CD1 3.7Å; I149-L162 HydrophobicContact CD1-CD2 4.4Å; I149-L162 HydrophobicContact CG1-CD1 4Å; I149-F190 HydrophobicContact CD1-CD2 4.33Å; I149-F190 HydrophobicContact CD1-CE2 4.04Å; I149-F190 HydrophobicContact CG2-CD2 3.72Å; I149-F190 HydrophobicContact CG2-CE2 4.07Å; I149-F190 HydrophobicContact CG2-CG 4.4Å; I149-A217 HydrophobicContact CD1-CB 3.41Å; I149-A217 VanDerWaalsContact CD1-CB 3.41Å
150	Y	93.4	Very high	84.3	Confident	3 Å²	3	40 Å²	40	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.3	-176.8	-68	-85	0	0	0	110	P134 F135 E137 Y148 R178 V179	P134-Y150 WeakPolarHBondContact CA-O 3.4Å; P134-Y150 WeakPolarHBondContact CB-O 3.41Å; F135-Y150 HydrophobicContact CD2-CD2 4.01Å; F135-Y150 AromaticContact CE2-CD2 3.33Å; F135-Y150 HydrophobicContact CE2-CD2 3.33Å; F135-Y150 HydrophobicContact CE2-CE2 4.13Å; F135-Y150 AromaticContact CE2-CG 3.86Å; F135-Y150 HydrophobicContact CE2-CG 3.86Å; F135-Y150 AromaticContact CZ-CD2 3.89Å; F135-Y150 HydrophobicContact CZ-CD2 3.89Å; F135-Y150 AromaticContact CZ-CG 3.95Å; F135-Y150 HydrophobicContact CZ-CG 3.95Å; F135-Y150 PolarHBondContact N-O 2.65Å; F135-Y150 PolarHBondContact O-N 3.11Å; E137-Y150 HydrophobicContact CB-CE2 3.95Å; Y148-Y150 WeakPolarHBondContact CD2-OH 3.12Å; Y150-R178 WeakPolarHBondContact CE1-O 3.23Å; Y150-R178 PolarHBondContact OH-O 2.9Å; Y150-R178 VanDerWaalsContact OH-O 3.07Å; Y150-V179 HydrophobicContact CD2-CG1 4.26Å; Y150-V179 HydrophobicContact CE2-CG1 3.95Å; Y150-V179 WeakPolarHBondContact OH-CA 3.12Å
151	Y	82.3	Confident	84.3	Confident	46 Å²	46	42.2 Å²	42.2	18%	0.18	26%	0.256	C	S	.	.			trans	-107.6	146.9	-177.1	-61.2	-62	0	0	0	112.1	K133 P134 I149 G158 Q160 Y173 A217	K133-Y151 WeakPolarHBondContact CD-O 3.25Å; P134-Y151 HydrophobicContact CB-CD1 4.09Å; I149-Y151 HydrophobicContact CG2-CE1 3.92Å; Y151-G158 PolarHBondContact N-O 3.14Å; Y151-Q160 HydrophobicContact CE2-CB 3.82Å; Y151-Q160 WeakPolarHBondContact OH-CB 3.07Å; Y151-Y173 HydrophobicContact CD2-CE2 4.35Å; Y151-A217 PolarHBondContact OH-O 3.09Å
152	P	75.8	Confident	84.3	Confident	18 Å²	18	40.7 Å²	40.7	12%	0.117	24%	0.244	C	C	.	.			trans	-68.6	151.9	179.3	28.9	-33.2	0	0	0	110.6	K133 S154 A155 G157	K133-P152 HydrophobicContact CB-CB 3.87Å; K133-P152 HydrophobicContact CB-CG 4.39Å; P152-S154 PolarHBondContact O-N 3.01Å; P152-A155 HydrophobicContact CG-CB 3.93Å; P152-A155 WeakPolarHBondContact O-CA 3.17Å; P152-A155 WeakPolarHBondContact O-CB 3.34Å; P152-A155 PolarHBondContact O-N 3.26Å; P152-G157 WeakPolarHBondContact O-CA 3.48Å; P152-G157 PolarHBondContact O-N 2.62Å
153	S	72.5	Confident	84.4	Confident	52 Å²	52	42.7 Å²	42.7	36%	0.364	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.1	-32.9	180	-56.8	0	0	0	0	111.2	D122 A155 G156	D122-S153 VanDerWaalsContact CG-N 3.29Å; D122-S153 VanDerWaalsContact OD1-CB 3.27Å; D122-S153 WeakPolarHBondContact OD1-CB 3.19Å; D122-S153 PolarHBondContact OD1-N 3.23Å; D122-S153 PolarHBondContact OD1-OG 2.59Å; D122-S153 WeakPolarHBondContact OD2-CB 3.38Å; D122-S153 PolarHBondContact OD2-N 2.82Å; D122-S153 VanDerWaalsContact OD2-N 3.14Å; S153-A155 PolarHBondContact O-N 3.31Å; S153-G156 PolarHBondContact O-N 3.37Å
154	S	63	Low	84.5	Confident	111 Å²	111	46.4 Å²	46.4	78%	0.776	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-60.2	-24.1	172	60.2	0	0	0	0	114.6	P152	P152-S154 PolarHBondContact O-N 3.01Å
155	A	57.6	Low	84.2	Confident	76 Å²	76	47.7 Å²	47.7	63%	0.628	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-97.2	7.4	174.8	0	0	0	0	0	113.3	P152 S153	P152-A155 HydrophobicContact CG-CB 3.93Å; P152-A155 WeakPolarHBondContact O-CA 3.17Å; P152-A155 WeakPolarHBondContact O-CB 3.34Å; P152-A155 PolarHBondContact O-N 3.26Å; S153-A155 PolarHBondContact O-N 3.31Å
156	G	58.1	Low	84	Confident	63 Å²	63	48.8 Å²	48.8	65%	0.649	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-2.8	-175.8	0	0	0	0	0	114.5	S153	S153-G156 PolarHBondContact O-N 3.37Å
157	G	76.4	Confident	83.5	Confident	7 Å²	7	51.6 Å²	51.6	7%	0.072	29%	0.288	C	S	.	.			trans	68	-156.5	-179.4	0	0	0	0	0	113.5	P152 Y173	P152-G157 WeakPolarHBondContact O-CA 3.48Å; P152-G157 PolarHBondContact O-N 2.62Å; G157-Y173 PolarHBondContact O-OH 3.41Å; G157-Y173 VanDerWaalsContact O-OH 3.12Å
158	G	85.2	Confident	82.8	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.01	30%	0.302	C	S	.	.			trans	77.9	-167.8	-178.8	0	0	0	0	0	114.1	Y151 S174 E176 S177	Y151-G158 PolarHBondContact N-O 3.14Å; G158-S174 CarbonylContact C-O 3.57Å; G158-S174 WeakPolarHBondContact CA-O 3.49Å; G158-E176 CarbonylContact C-O 3.54Å; G158-S177 VanDerWaalsContact CA-OG 3.23Å; G158-S177 WeakPolarHBondContact CA-OG 3.1Å; G158-S177 PolarHBondContact N-OG 3.07Å
159	S	89.5	Confident	82.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.8	178.8	56.4	0	0	0	0	112.8	I149 Y173 S174 E176	I149-S159 CarbonylContact O-C 3.58Å; I149-S159 WeakPolarHBondContact O-CA 3.17Å; I149-S159 VanDerWaalsContact O-CB 3.3Å; I149-S159 WeakPolarHBondContact O-CB 3.38Å; S159-Y173 CarbonylContact O-C 3.51Å; S159-S174 PolarHBondContact N-O 2.9Å; S159-S174 PolarHBondContact O-N 3.43Å; S159-E176 VanDerWaalsContact CB-O 3.28Å; S159-E176 WeakPolarHBondContact CB-O 3.26Å; S159-E176 PolarHBondContact N-O 3.19Å; S159-E176 PolarHBondContact OG-O 2.88Å
160	Q	85.8	Confident	81.9	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.056	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.7	165.6	-163.1	68.5	20.8	0	0	109.4	Y148 I149 Y151 L162 S171 I172	Y148-Q160 CarbonylContact C-O 3.59Å; Y148-Q160 WeakPolarHBondContact CA-O 3.41Å; I149-Q160 HydrophobicContact CB-CB 4.23Å; I149-Q160 PolarHBondContact N-O 2.86Å; I149-Q160 PolarHBondContact O-N 2.74Å; Y151-Q160 HydrophobicContact CE2-CB 3.82Å; Y151-Q160 WeakPolarHBondContact OH-CB 3.07Å; Q160-L162 HydrophobicContact CB-CD1 4.23Å; Q160-L162 HydrophobicContact CG-CD1 3.85Å; Q160-S171 PolarHBondContact NE2-OG 3.33Å; Q160-I172 VanDerWaalsContact NE2-C 3.32Å
161	R	93.8	Very high	81.6	Confident	78 Å²	78	58.8 Å²	58.8	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	102.3	179.2	-59.2	-171.7	-178.9	-175.2	0.4	109.9	Y148 F163 S171 I172 S174 E176	Y148-R161 HydrophobicContact CD1-CB 3.81Å; Y148-R161 HydrophobicContact CD1-CG 3.77Å; Y148-R161 HydrophobicContact CE1-CB 3.75Å; Y148-R161 HydrophobicContact CE1-CG 3.8Å; Y148-R161 HydrophobicContact CG-CG 4.26Å; R161-F163 WeakPolarHBondContact O-CD1 3.35Å; R161-S171 CarbonylContact O-C 3.49Å; R161-S171 WeakPolarHBondContact O-CA 3.44Å; R161-S171 VanDerWaalsContact O-CB 3.29Å; R161-S171 WeakPolarHBondContact O-CB 3.45Å; R161-I172 HydrophobicContact CB-CG2 4.23Å; R161-I172 PolarHBondContact N-O 3.43Å; R161-I172 PolarHBondContact O-N 3.07Å; R161-S174 VanDerWaalsContact CZ-OG 3.28Å; R161-S174 VanDerWaalsContact NE-CB 3.27Å; R161-S174 PolarHBondContact NE-OG 3.13Å; R161-S174 PolarHBondContact NH2-OG 2.72Å; R161-S174 VanDerWaalsContact NH2-OG 3.11Å; R161-E176 VanDerWaalsContact NH2-CB 3.32Å
162	L	92.9	Very high	81.8	Confident	22 Å²	22	61.6 Å²	61.6	12%	0.115	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	144.4	174.5	-70.9	60.5	0	0	0	108.9	H145 N146 I147 I149 Q160 S170 P216	H145-L162 CarbonylContact O-C 3.58Å; N146-L162 VanDerWaalsContact CA-O 3.31Å; N146-L162 WeakPolarHBondContact CA-O 3.45Å; I147-L162 HydrophobicContact CB-CB 4.21Å; I147-L162 PolarHBondContact N-O 3.39Å; I147-L162 WeakPolarHBondContact O-CA 3.47Å; I147-L162 VanDerWaalsContact O-CB 3.32Å; I147-L162 WeakPolarHBondContact O-CB 3.35Å; I147-L162 PolarHBondContact O-N 3.19Å; I149-L162 HydrophobicContact CD1-CD1 3.7Å; I149-L162 HydrophobicContact CD1-CD2 4.4Å; I149-L162 HydrophobicContact CG1-CD1 4Å; Q160-L162 HydrophobicContact CB-CD1 4.23Å; Q160-L162 HydrophobicContact CG-CD1 3.85Å; L162-S170 WeakPolarHBondContact CA-O 3.45Å; L162-P216 HydrophobicContact CD2-CB 4.18Å; L162-P216 HydrophobicContact CD2-CG 3.89Å; L162-P216 HydrophobicContact CG-CB 4.42Å
163	F	93.7	Very high	82.1	Confident	60 Å²	60	66.3 Å²	66.3	26%	0.263	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	171.5	178.9	54.5	-94.4	0	0	0	110.7	H145 R161 K165 V166 R169 S170 I172	H145-F163 WeakPolarHBondContact O-CA 3.15Å; R161-F163 WeakPolarHBondContact O-CD1 3.35Å; F163-K165 PolarHBondContact O-N 2.82Å; F163-K165 VanDerWaalsContact O-N 3.14Å; F163-V166 HydrophobicContact CE2-CG2 4.35Å; F163-R169 HydrophobicContact CE2-CB 4.46Å; F163-R169 HydrophobicContact CZ-CB 4.06Å; F163-S170 PolarHBondContact N-O 2.6Å; F163-I172 HydrophobicContact CE1-CB 4.21Å; F163-I172 HydrophobicContact CE1-CG2 4.06Å
164	R	90.3	Very high	82.8	Confident	172 Å²	172	64.6 Å²	64.6	65%	0.649	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	119.2	175.8	-174.1	94.9	179.3	174.7	-6.6	109.5	H145 V166	H145-R164 HydrophobicContact CB-CB 4.29Å; H145-R164 PolarHBondContact CE1-NH1 3.17Å; H145-R164 PolarHBondContact NE2-NH1 2.92Å; R164-V166 WeakPolarHBondContact O-CG2 3.46Å; R164-V166 PolarHBondContact O-N 2.75Å
165	K	86.5	Confident	83.7	Confident	79 Å²	79	64.4 Å²	64.4	34%	0.343	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-41	119.1	-178.9	-78.5	-178.4	-80.5	-152.1	0	113.7	F163 R169 V222 E230	F163-K165 PolarHBondContact O-N 2.82Å; F163-K165 VanDerWaalsContact O-N 3.14Å; K165-R169 WeakPolarHBondContact CA-O 3.34Å; K165-V222 HydrophobicContact CD-CG1 4.34Å; K165-V222 HydrophobicContact CD-CG2 3.83Å; K165-V222 HydrophobicContact CG-CG2 4.04Å; K165-E230 IonicContact NZ-OE1 3.16Å; K165-E230 PolarHBondContact NZ-OE1 2.88Å; K165-E230 IonicContact NZ-OE2 2.76Å; K165-E230 PolarHBondContact NZ-OE2 3.36Å
166	V	85.5	Confident	85.2	Confident	87 Å²	87	64.9 Å²	64.9	53%	0.527	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.5	170.5	-174.4	0	0	0	0	107.1	F163 R164 N168 R169	F163-V166 HydrophobicContact CE2-CG2 4.35Å; R164-V166 WeakPolarHBondContact O-CG2 3.46Å; R164-V166 PolarHBondContact O-N 2.75Å; V166-N168 PolarHBondContact O-N 3.19Å; V166-N168 VanDerWaalsContact O-N 3.15Å; V166-R169 PolarHBondContact N-O 3.43Å; V166-R169 PolarHBondContact O-N 2.86Å; V166-R169 VanDerWaalsContact O-O 3.13Å
167	D	84.9	Confident	86.5	Confident	127 Å²	127	63.2 Å²	63.2	68%	0.679	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	-118.9	-175.2	-54.9	-38.1	0	0	0	112.4	R224	D167-R224 VanDerWaalsContact O-CZ 3.27Å; D167-R224 PolarHBondContact O-NE 3.41Å; D167-R224 VanDerWaalsContact O-NE 3.12Å; D167-R224 PolarHBondContact O-NH2 3.38Å
168	N	82.7	Confident	87.3	Confident	82 Å²	82	68.8 Å²	68.8	44%	0.439	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	19.1	-178.2	-63.9	-28.4	0	0	0	113	V166 K221 V222 R224	V166-N168 PolarHBondContact O-N 3.19Å; V166-N168 VanDerWaalsContact O-N 3.15Å; N168-K221 CarbonylContact O-C 3.59Å; N168-K221 WeakPolarHBondContact O-CA 3.32Å; N168-V222 PolarHBondContact O-N 3.5Å; N168-R224 WeakPolarHBondContact OD1-CD 3.27Å; N168-R224 WeakPolarHBondContact OD1-CG 3.11Å; N168-R224 PolarHBondContact OD1-NE 2.89Å
169	R	85.7	Confident	87.7	Confident	130 Å²	130	69 Å²	69	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.2	-179.8	-69.3	-65	-171.7	174.4	1.8	112.3	F163 K165 V166 D219 G220	F163-R169 HydrophobicContact CE2-CB 4.46Å; F163-R169 HydrophobicContact CZ-CB 4.06Å; K165-R169 WeakPolarHBondContact CA-O 3.34Å; V166-R169 PolarHBondContact N-O 3.43Å; V166-R169 PolarHBondContact O-N 2.86Å; V166-R169 VanDerWaalsContact O-O 3.13Å; R169-D219 PolarHBondContact NH1-O 3.49Å; R169-G220 CarbonylContact C-O 3.57Å; R169-G220 WeakPolarHBondContact CA-O 3.31Å
170	S	85.3	Confident	88	Confident	10 Å²	10	71 Å²	71	7%	0.07	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	-14	179.3	58.5	0	0	0	0	112.9	L162 F163 G220	L162-S170 WeakPolarHBondContact CA-O 3.45Å; F163-S170 PolarHBondContact N-O 2.6Å; S170-G220 PolarHBondContact N-O 2.9Å; S170-G220 PolarHBondContact OG-O 2.84Å
171	S	86.2	Confident	88.1	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.014	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	163.4	173	69.7	0	0	0	0	111.1	Q160 R161 P216 G220	Q160-S171 PolarHBondContact NE2-OG 3.33Å; R161-S171 CarbonylContact O-C 3.49Å; R161-S171 WeakPolarHBondContact O-CA 3.44Å; R161-S171 VanDerWaalsContact O-CB 3.29Å; R161-S171 WeakPolarHBondContact O-CB 3.45Å; S171-P216 WeakPolarHBondContact CB-O 3.48Å; S171-P216 PolarHBondContact OG-O 3.1Å; S171-G220 WeakPolarHBondContact OG-CA 3.3Å; S171-G220 PolarHBondContact OG-N 3.46Å
172	I	86.1	Confident	87.8	Confident	104 Å²	104	82.7 Å²	82.7	53%	0.533	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.3	174.9	-167.6	166.9	0	0	0	109.9	Q160 R161 F163	Q160-I172 VanDerWaalsContact NE2-C 3.32Å; R161-I172 HydrophobicContact CB-CG2 4.23Å; R161-I172 PolarHBondContact N-O 3.43Å; R161-I172 PolarHBondContact O-N 3.07Å; F163-I172 HydrophobicContact CE1-CB 4.21Å; F163-I172 HydrophobicContact CE1-CG2 4.06Å
173	Y	81.7	Confident	87.7	Confident	117 Å²	117	82.7 Å²	82.7	46%	0.459	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	140.1	172.2	179	-96.1	0	0	0	110.1	Y151 G157 S159	Y151-Y173 HydrophobicContact CD2-CE2 4.35Å; G157-Y173 PolarHBondContact O-OH 3.41Å; G157-Y173 VanDerWaalsContact O-OH 3.12Å; S159-Y173 CarbonylContact O-C 3.51Å
174	S	87.4	Confident	87.6	Confident	17 Å²	17	80.8 Å²	80.8	12%	0.119	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138	173.5	-177.5	0	0	0	0	109	G158 S159 R161 E176	G158-S174 CarbonylContact C-O 3.57Å; G158-S174 WeakPolarHBondContact CA-O 3.49Å; S159-S174 PolarHBondContact N-O 2.9Å; S159-S174 PolarHBondContact O-N 3.43Å; R161-S174 VanDerWaalsContact CZ-OG 3.28Å; R161-S174 VanDerWaalsContact NE-CB 3.27Å; R161-S174 PolarHBondContact NE-OG 3.13Å; R161-S174 PolarHBondContact NH2-OG 2.72Å; R161-S174 VanDerWaalsContact NH2-OG 3.11Å; S174-E176 PolarHBondContact O-N 2.87Å; S174-E176 PolarHBondContact OG-N 3.48Å
175	P	82.3	Confident	87.9	Confident	107 Å²	107	73.7 Å²	73.7	70%	0.695	36%	0.362	S	S	*	.	S	Bend	trans	-69.1	-14	174.7	29.9	-35.6	0	0	0	112.8	S177	P175-S177 PolarHBondContact O-N 3.05Å; P175-S177 PolarHBondContact O-OG 2.63Å
176	E	90.2	Very high	88.3	Confident	85 Å²	85	70 Å²	70	40%	0.397	35%	0.346	S	S	.	.			trans	-65.5	125.4	178.2	-176.7	54.4	-95	0	0	110.6	G158 S159 R161 S174 R178	G158-E176 CarbonylContact C-O 3.54Å; S159-E176 VanDerWaalsContact CB-O 3.28Å; S159-E176 WeakPolarHBondContact CB-O 3.26Å; S159-E176 PolarHBondContact N-O 3.19Å; S159-E176 PolarHBondContact OG-O 2.88Å; R161-E176 VanDerWaalsContact NH2-CB 3.32Å; S174-E176 PolarHBondContact O-N 2.87Å; S174-E176 PolarHBondContact OG-N 3.48Å; E176-R178 VanDerWaalsContact OE1-CB 3.24Å; E176-R178 WeakPolarHBondContact OE1-CB 3.28Å; E176-R178 WeakPolarHBondContact OE1-CG 3.32Å; E176-R178 PolarHBondContact OE1-N 3.49Å
177	S	84.9	Confident	88.8	Confident	28 Å²	28	65.8 Å²	65.8	20%	0.196	32%	0.321	C	S	.	.			trans	-112.1	-0.9	-176.9	-55.7	0	0	0	0	112.6	K133 G158 P175	K133-S177 PolarHBondContact NZ-O 3.02Å; K133-S177 VanDerWaalsContact NZ-O 3.1Å; G158-S177 VanDerWaalsContact CA-OG 3.23Å; G158-S177 WeakPolarHBondContact CA-OG 3.1Å; G158-S177 PolarHBondContact N-OG 3.07Å; P175-S177 PolarHBondContact O-N 3.05Å; P175-S177 PolarHBondContact O-OG 2.63Å
178	R	92.8	Very high	89.3	Confident	124 Å²	124	60.1 Å²	60.1	47%	0.468	29%	0.29	S	S	.	.	S	Bend	trans	-91.2	140.8	179.4	-61.4	-72.8	-178.4	-120	-2.2	112.5	E119 Y150 E176	E119-R178 VanDerWaalsContact CD-CD 3.43Å; E119-R178 WeakPolarHBondContact OE1-CA 3.22Å; E119-R178 WeakPolarHBondContact OE1-CD 3.15Å; E119-R178 VanDerWaalsContact OE2-CD 3.25Å; E119-R178 WeakPolarHBondContact OE2-CD 3.46Å; Y150-R178 WeakPolarHBondContact CE1-O 3.23Å; Y150-R178 PolarHBondContact OH-O 2.9Å; Y150-R178 VanDerWaalsContact OH-O 3.07Å; E176-R178 VanDerWaalsContact OE1-CB 3.24Å; E176-R178 WeakPolarHBondContact OE1-CB 3.28Å; E176-R178 WeakPolarHBondContact OE1-CG 3.32Å; E176-R178 PolarHBondContact OE1-N 3.49Å
179	V	94.5	Very high	89.8	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.042	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.5	155.2	176.4	-62.7	0	0	0	0	112.5	L117 E119 I124 F135 Y150 K181 Y187	L117-V179 HydrophobicContact CD1-CG2 4.26Å; L117-V179 HydrophobicContact CD2-CG2 3.72Å; L117-V179 HydrophobicContact CG-CG2 4.47Å; E119-V179 PolarHBondContact OE1-N 3.24Å; I124-V179 HydrophobicContact CD1-CG1 4.36Å; I124-V179 HydrophobicContact CG2-CG1 3.97Å; F135-V179 HydrophobicContact CE2-CG1 3.82Å; F135-V179 HydrophobicContact CZ-CG1 3.74Å; Y150-V179 HydrophobicContact CD2-CG1 4.26Å; Y150-V179 HydrophobicContact CE2-CG1 3.95Å; Y150-V179 WeakPolarHBondContact OH-CA 3.12Å; V179-K181 PolarHBondContact O-N 2.87Å; V179-Y187 HydrophobicContact CB-CE1 4.23Å; V179-Y187 HydrophobicContact CG1-CE1 3.87Å
180	R	94.1	Very high	90	Very high	42 Å²	42	56.4 Å²	56.4	16%	0.158	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-66.2	130.7	177.9	-77.6	178.3	-72.9	-164.9	-10.1	109.9	R108 E137 N146 Y148 Y185	R108-R180 VanDerWaalsContact CZ-O 3.27Å; R108-R180 PolarHBondContact NH1-O 3.12Å; R108-R180 PolarHBondContact NH2-O 3.31Å; E137-R180 IonicContact OE1-CZ 2.64Å; E137-R180 IonicContact OE1-NE 3.21Å; E137-R180 PolarHBondContact OE1-NE 3.01Å; E137-R180 IonicContact OE1-NH2 3.91Å; E137-R180 PolarHBondContact OE1-NH2 3.34Å; E137-R180 PolarHBondContact OE2-N 3.18Å; N146-R180 PolarHBondContact O-NH1 2.91Å; N146-R180 PolarHBondContact O-NH2 3.37Å; N146-R180 VanDerWaalsContact O-NH2 3.09Å; Y148-R180 HydrophobicContact CD2-CG 4.14Å; Y148-R180 VanDerWaalsContact CE2-CD 3.44Å; Y148-R180 HydrophobicContact CE2-CG 3.8Å; R180-Y185 HydrophobicContact CB-CE2 3.6Å; R180-Y185 VanDerWaalsContact CD-OH 3.29Å; R180-Y185 WeakPolarHBondContact CD-OH 3.42Å; R180-Y185 PolarHBondContact NE-OH 2.91Å
181	K	88.5	Confident	90.1	Very high	171 Å²	171	57 Å²	57	74%	0.743	28%	0.277	S	S	*	.	S	Bend	trans	-84.4	-23.5	-175.9	-64	-173.3	178.3	-177.3	0	114.5	R108 V179	R108-K181 WeakPolarHBondContact CD-O 3.42Å; R108-K181 PolarHBondContact NE-O 3.39Å; R108-K181 PolarHBondContact NH1-O 3.06Å; V179-K181 PolarHBondContact O-N 2.87Å
182	E	88.4	Confident	89.4	Confident	163 Å²	163	60 Å²	60	76%	0.762	30%	0.296	S	S	*	.	S	Bend	trans	-112.9	155.3	-178.5	-65.1	-177.9	177.3	0	0	111.1	R108 Y185	R108-E182 PolarHBondContact NH1-O 3.41Å; E182-Y185 WeakPolarHBondContact O-CE2 3.43Å; E182-Y185 PolarHBondContact O-OH 3.3Å
183	G	89.5	Confident	88.6	Confident	23 Å²	23	55.7 Å²	55.7	24%	0.237	27%	0.274	C	S	.	.	S	Bend	trans	83.1	176.5	-178	0	0	0	0	0	113.5	R108	R108-G183 WeakPolarHBondContact CD-O 3.2Å; R108-G183 WeakPolarHBondContact CG-O 3.46Å; R108-G183 PolarHBondContact NH1-O 3.31Å
184	S	92.8	Very high	87.8	Confident	20 Å²	20	57.8 Å²	57.8	14%	0.14	29%	0.294	C	S	.	.			trans	-113	140.7	-178.2	-60.7	0	0	0	0	110.9	L106 R108 I140	L106-S184 CarbonylContact O-C 3.58Å; L106-S184 VanDerWaalsContact O-CA 3.32Å; L106-S184 WeakPolarHBondContact O-CA 3.45Å; L106-S184 WeakPolarHBondContact O-CB 3.02Å; R108-S184 PolarHBondContact N-OG 3.04Å; I140-S184 WeakPolarHBondContact CG1-O 3.21Å; I140-S184 PolarHBondContact N-O 3.42Å
185	Y	95.2	Very high	86.7	Confident	23 Å²	23	57.9 Å²	57.9	9%	0.09	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.9	-170.6	-59.6	-69.2	0	0	0	113.2	L106 E137 K138 P139 I140 R180 E182	L106-Y185 PolarHBondContact N-O 3.24Å; L106-Y185 PolarHBondContact O-N 3.46Å; E137-Y185 HydrophobicContact CG-CD1 3.93Å; E137-Y185 HydrophobicContact CG-CD2 4.31Å; E137-Y185 HydrophobicContact CG-CG 3.73Å; K138-Y185 CarbonylContact O-C 3.57Å; K138-Y185 VanDerWaalsContact O-CA 3.29Å; K138-Y185 WeakPolarHBondContact O-CA 3.4Å; P139-Y185 HydrophobicContact CB-CD1 4.4Å; P139-Y185 HydrophobicContact CB-CE1 4.3Å; P139-Y185 HydrophobicContact CG-CD1 4.41Å; P139-Y185 HydrophobicContact CG-CE1 4.19Å; I140-Y185 VanDerWaalsContact CD1-C 3.46Å; R180-Y185 HydrophobicContact CB-CE2 3.6Å; R180-Y185 VanDerWaalsContact CD-OH 3.29Å; R180-Y185 WeakPolarHBondContact CD-OH 3.42Å; R180-Y185 PolarHBondContact NE-OH 2.91Å; E182-Y185 WeakPolarHBondContact O-CE2 3.43Å; E182-Y185 PolarHBondContact O-OH 3.3Å
186	I	95.4	Very high	86	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.2	163.1	-65.5	170.9	0	0	0	107.1	R86 I87 Y90 Y103 T104 V105 E137 K138 I140	R86-I186 HydrophobicContact CB-CD1 3.42Å; R86-I186 VanDerWaalsContact CB-CD1 3.42Å; I87-I186 HydrophobicContact CG1-CD1 4.22Å; I87-I186 HydrophobicContact CG1-CG1 4.45Å; Y90-I186 HydrophobicContact CE1-CG2 4.08Å; Y103-I186 HydrophobicContact CD2-CG2 3.84Å; Y103-I186 HydrophobicContact CG-CG2 4.31Å; T104-I186 WeakPolarHBondContact O-CA 3.21Å; V105-I186 HydrophobicContact CG1-CG1 4.48Å; V105-I186 HydrophobicContact CG2-CG1 4.25Å; E137-I186 CarbonylContact C-O 3.56Å; E137-I186 WeakPolarHBondContact CA-O 3.34Å; K138-I186 HydrophobicContact CB-CB 4.37Å; K138-I186 PolarHBondContact N-O 3.18Å; K138-I186 PolarHBondContact O-N 3.02Å; I140-I186 HydrophobicContact CD1-CD1 4.42Å; I140-I186 HydrophobicContact CD1-CG1 3.75Å
187	Y	97.1	Very high	85.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.7	169.1	-65.3	-83.4	0	0	0	108.5	Y103 T104 L106 I124 V126 F135 V136 E137 V179	Y103-Y187 CarbonylContact C-O 3.52Å; Y103-Y187 WeakPolarHBondContact CA-O 3.3Å; Y103-Y187 WeakPolarHBondContact CB-O 3.31Å; T104-Y187 PolarHBondContact N-O 2.86Å; T104-Y187 PolarHBondContact O-N 3.03Å; L106-Y187 HydrophobicContact CB-CD2 4.28Å; L106-Y187 HydrophobicContact CB-CE2 3.87Å; L106-Y187 HydrophobicContact CD2-CE2 3.86Å; I124-Y187 HydrophobicContact CD1-CD1 3.18Å; I124-Y187 HydrophobicContact CD1-CD2 4.29Å; I124-Y187 HydrophobicContact CD1-CE1 3.52Å; I124-Y187 HydrophobicContact CD1-CG 3.61Å; V126-Y187 HydrophobicContact CB-CD2 4.41Å; V126-Y187 HydrophobicContact CG1-CD2 4.2Å; V126-Y187 HydrophobicContact CG2-CD2 3.67Å; V126-Y187 HydrophobicContact CG2-CE2 3.92Å; V126-Y187 HydrophobicContact CG2-CG 4.21Å; F135-Y187 HydrophobicContact CD2-CD1 4.1Å; F135-Y187 AromaticContact CE2-CD1 3.96Å; F135-Y187 HydrophobicContact CE2-CD1 3.96Å; F135-Y187 HydrophobicContact CE2-CE1 4.21Å; V136-Y187 CarbonylContact O-C 3.59Å; V136-Y187 WeakPolarHBondContact O-CA 3.49Å; E137-Y187 HydrophobicContact CB-CD1 3.9Å; E137-Y187 HydrophobicContact CB-CE1 3.72Å; E137-Y187 HydrophobicContact CG-CD1 3.96Å; E137-Y187 HydrophobicContact CG-CE1 3.42Å; E137-Y187 VanDerWaalsContact CG-CE1 3.42Å; E137-Y187 WeakPolarHBondContact OE2-CE1 3.5Å; E137-Y187 VanDerWaalsContact OE2-CZ 3.23Å; E137-Y187 PolarHBondContact OE2-OH 3.24Å; V179-Y187 HydrophobicContact CB-CE1 4.23Å; V179-Y187 HydrophobicContact CG1-CE1 3.87Å
188	E	94.9	Very high	85.5	Confident	7 Å²	7	51.1 Å²	51.1	3%	0.033	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.3	-179	68.3	178.1	-163.1	0	0	111.7	Y90 P101 R102 F135 V136 K138	Y90-E188 PolarHBondContact OH-OE2 3.2Å; P101-E188 HydrophobicContact CB-CB 4.45Å; R102-E188 CarbonylContact O-C 3.54Å; R102-E188 VanDerWaalsContact O-CA 3.24Å; R102-E188 WeakPolarHBondContact O-CA 3.3Å; F135-E188 WeakPolarHBondContact CA-O 3.31Å; F135-E188 WeakPolarHBondContact CB-O 3.22Å; V136-E188 HydrophobicContact CB-CG 3.57Å; V136-E188 HydrophobicContact CG1-CG 4.27Å; V136-E188 HydrophobicContact CG2-CG 4.22Å; V136-E188 PolarHBondContact N-O 3.34Å; V136-E188 PolarHBondContact O-N 2.84Å; K138-E188 VanDerWaalsContact CE-CD 3.46Å; K138-E188 WeakPolarHBondContact CE-OE1 3.49Å; K138-E188 WeakPolarHBondContact CE-OE2 3.44Å; K138-E188 IonicContact NZ-OE1 3.52Å; K138-E188 PolarHBondContact NZ-OE1 2.91Å; K138-E188 IonicContact NZ-OE2 3.66Å; K138-E188 PolarHBondContact NZ-OE2 3.01Å
189	E	93.5	Very high	85.3	Confident	78 Å²	78	46.7 Å²	46.7	36%	0.364	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131	174.8	-174.4	165.1	179.5	0	0	110.5	R102 F131 M191	R102-E189 HydrophobicContact CB-CB 4.12Å; R102-E189 WeakPolarHBondContact CB-OE2 3.46Å; R102-E189 IonicContact CZ-OE2 3.29Å; R102-E189 IonicContact NE-OE2 3.72Å; R102-E189 PolarHBondContact NE-OE2 3.23Å; R102-E189 IonicContact NH2-OE2 3.02Å; R102-E189 PolarHBondContact O-N 2.9Å; F131-E189 HydrophobicContact CE1-CB 4.4Å; E189-M191 HydrophobicContact CB-CE 3.94Å; E189-M191 HydrophobicContact CG-CE 3.87Å; E189-M191 PolarHBondContact O-N 3.3Å
190	F	90.2	Very high	85.3	Confident	57 Å²	57	46.3 Å²	46.3	25%	0.25	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72.1	124.9	178.6	176.6	-98.1	0	0	0	110.4	P134 V136 I149 P192 A217	P134-F190 HydrophobicContact CB-CB 3.96Å; P134-F190 HydrophobicContact CB-CD1 4.14Å; P134-F190 HydrophobicContact CB-CG 4.11Å; P134-F190 HydrophobicContact CG-CB 4.07Å; P134-F190 HydrophobicContact CG-CD1 3.74Å; P134-F190 HydrophobicContact CG-CG 4.16Å; P134-F190 VanDerWaalsContact O-CB 3.28Å; P134-F190 WeakPolarHBondContact O-CB 3.44Å; V136-F190 HydrophobicContact CG2-CB 4.09Å; V136-F190 HydrophobicContact CG2-CD2 3.81Å; V136-F190 HydrophobicContact CG2-CG 4.46Å; I149-F190 HydrophobicContact CD1-CD2 4.33Å; I149-F190 HydrophobicContact CD1-CE2 4.04Å; I149-F190 HydrophobicContact CG2-CD2 3.72Å; I149-F190 HydrophobicContact CG2-CE2 4.07Å; I149-F190 HydrophobicContact CG2-CG 4.4Å; F190-P192 WeakPolarHBondContact O-CD 3.14Å; F190-A217 HydrophobicContact CE2-CB 4.2Å
191	M	85.8	Confident	85.2	Confident	22 Å²	22	44.5 Å²	44.5	11%	0.108	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-95.8	116.3	179.6	-66.7	-63.4	148.5	0	0	110.7	P101 E189 T193 L262 A264 F269	P101-M191 HydrophobicContact CB-CE 3.69Å; P101-M191 HydrophobicContact CB-CG 4.06Å; P101-M191 HydrophobicContact CG-CE 4.5Å; P101-M191 HydrophobicContact CG-CG 3.96Å; E189-M191 HydrophobicContact CB-CE 3.94Å; E189-M191 HydrophobicContact CG-CE 3.87Å; E189-M191 PolarHBondContact O-N 3.3Å; M191-T193 PolarHBondContact O-N 3.04Å; M191-T193 VanDerWaalsContact O-N 3.12Å; M191-L262 HydrophobicContact CB-CB 4.5Å; M191-L262 HydrophobicContact CB-CD1 4.05Å; M191-L262 HydrophobicContact CG-CD1 4.42Å; M191-A264 HydrophobicContact CB-CB 4.25Å; M191-A264 HydrophobicContact SD-CB 4.47Å; M191-F269 HydrophobicContact CG-CD2 4.4Å; M191-F269 HydrophobicContact SD-CD2 4.17Å; M191-F269 HydrophobicContact SD-CE2 4.03Å; M191-F269 HydrophobicContact SD-CZ 4.41Å
192	P	73.2	Confident	85.5	Confident	65 Å²	65	36.3 Å²	36.3	42%	0.422	20%	0.198	S	C	.	.			trans	-74.1	104.6	177.3	29.6	-32.8	0	0	0	110.2	F190	F190-P192 WeakPolarHBondContact O-CD 3.14Å
193	T	68.6	Low	85.6	Confident	13 Å²	13	28.6 Å²	28.6	8%	0.08	16%	0.162	C	C	.	.			trans	-98.6	20.3	-178.2	60.6	0	0	0	0	114.1	M191 G195 T196 L262 R263	M191-T193 PolarHBondContact O-N 3.04Å; M191-T193 VanDerWaalsContact O-N 3.12Å; T193-G195 PolarHBondContact O-N 2.92Å; T193-T196 WeakPolarHBondContact CB-O 3.4Å; T193-T196 PolarHBondContact O-N 3.43Å; T193-T196 VanDerWaalsContact O-N 3.08Å; T193-T196 PolarHBondContact OG1-O 3.1Å; T193-T196 VanDerWaalsContact OG1-O 3.06Å; T193-L262 HydrophobicContact CG2-CB 3.69Å; T193-L262 HydrophobicContact CG2-CD2 3.87Å; T193-L262 HydrophobicContact CG2-CG 4.26Å; T193-R263 WeakPolarHBondContact CA-O 3.47Å
194	D	64.3	Low	85.5	Confident	162 Å²	162	27.6 Å²	27.6	87%	0.866	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	31.1	-173.2	-58.4	-42	0	0	0	113.2
195	G	65.3	Low	85.1	Confident	18 Å²	18	28.2 Å²	28.2	19%	0.186	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	14.9	177.8	0	0	0	0	0	115.2	T193 S215	T193-G195 PolarHBondContact O-N 2.92Å; G195-S215 WeakPolarHBondContact O-CB 3.21Å; G195-S215 PolarHBondContact O-N 2.65Å
196	T	66.8	Low	84.4	Confident	59 Å²	59	28.4 Å²	28.4	36%	0.362	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.7	179.6	-55.5	0	0	0	0	111.9	T193 A212 R213	T193-T196 WeakPolarHBondContact CB-O 3.4Å; T193-T196 PolarHBondContact O-N 3.43Å; T193-T196 VanDerWaalsContact O-N 3.08Å; T193-T196 PolarHBondContact OG1-O 3.1Å; T193-T196 VanDerWaalsContact OG1-O 3.06Å; T196-A212 HydrophobicContact CG2-CB 3.7Å; T196-R213 WeakPolarHBondContact CA-O 3.33Å
197	D	77.5	Confident	83.9	Confident	15 Å²	15	28.8 Å²	28.8	8%	0.08	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.1	172.4	-70.4	6.6	0	0	0	109.9	A212 R213 S215 P216	D197-A212 CarbonylContact O-C 3.51Å; D197-A212 VanDerWaalsContact O-CA 3.28Å; D197-A212 WeakPolarHBondContact O-CA 3.45Å; D197-R213 HydrophobicContact CB-CG 4.09Å; D197-R213 PolarHBondContact N-O 3.11Å; D197-R213 PolarHBondContact O-N 3.23Å; D197-S215 WeakPolarHBondContact OD1-CB 3.42Å; D197-S215 PolarHBondContact OD1-OG 3.23Å; D197-P216 WeakPolarHBondContact OD2-CD 3.37Å
198	V	86.4	Confident	83.4	Confident	4 Å²	4	29 Å²	29	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125	175.2	-178.3	0	0	0	0	109	V200 A210 V235 L237 L261	V198-V200 HydrophobicContact CG1-CG2 4.18Å; V198-A210 HydrophobicContact CG1-CB 3.91Å; V198-V235 HydrophobicContact CG1-CG1 4.42Å; V198-L237 HydrophobicContact CG1-CD2 4.34Å; V198-L261 HydrophobicContact CB-CB 4.31Å; V198-L261 WeakPolarHBondContact CB-O 3.33Å; V198-L261 PolarHBondContact N-O 3.11Å; V198-L261 VanDerWaalsContact N-O 3.15Å; V198-L261 PolarHBondContact O-N 2.87Å
199	K	90.3	Very high	82.9	Confident	31 Å²	31	29 Å²	29	14%	0.135	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.7	172.1	-173.8	162.8	-171.5	-176.8	0	110.1	Y201 A210 E211 D260	K199-Y201 HydrophobicContact CB-CE2 4.28Å; K199-Y201 HydrophobicContact CD-CE1 4.42Å; K199-Y201 HydrophobicContact CD-CE2 4.02Å; K199-Y201 WeakPolarHBondContact CD-OH 3.35Å; K199-Y201 HydrophobicContact CG-CD2 4.4Å; K199-Y201 HydrophobicContact CG-CE2 3.7Å; K199-A210 CarbonylContact O-C 3.49Å; K199-A210 VanDerWaalsContact O-CA 3.26Å; K199-A210 WeakPolarHBondContact O-CA 3.46Å; K199-E211 PolarHBondContact N-O 3.31Å; K199-E211 PolarHBondContact O-N 3.28Å; K199-D260 WeakPolarHBondContact CD-OD1 3.13Å; K199-D260 WeakPolarHBondContact CG-OD1 3.45Å
200	V	93	Very high	82.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.6	-178.9	-172.9	0	0	0	0	110.1	V198 A208 H209 A210 L237 A245 G258 F259 L261	V198-V200 HydrophobicContact CG1-CG2 4.18Å; V200-A208 HydrophobicContact CG1-CB 3.88Å; V200-H209 CarbonylContact C-O 3.56Å; V200-H209 WeakPolarHBondContact CA-O 3.43Å; V200-A210 HydrophobicContact CG2-CB 4.02Å; V200-L237 HydrophobicContact CG1-CD1 3.69Å; V200-L237 HydrophobicContact CG2-CD1 4.13Å; V200-L237 HydrophobicContact CG2-CD2 3.86Å; V200-A245 HydrophobicContact CG1-CB 4.4Å; V200-G258 CarbonylContact O-C 3.55Å; V200-G258 WeakPolarHBondContact O-CA 3.36Å; V200-F259 HydrophobicContact CB-CD1 4.08Å; V200-F259 HydrophobicContact CB-CD2 4.01Å; V200-F259 HydrophobicContact CB-CE1 3.66Å; V200-F259 HydrophobicContact CB-CE2 3.58Å; V200-F259 HydrophobicContact CB-CG 4.25Å; V200-F259 HydrophobicContact CB-CZ 3.39Å; V200-F259 HydrophobicContact CG1-CD1 4.34Å; V200-F259 HydrophobicContact CG1-CE1 3.5Å; V200-F259 HydrophobicContact CG1-CE2 4.05Å; V200-F259 HydrophobicContact CG1-CZ 3.33Å; V200-F259 HydrophobicContact CG2-CD2 4.26Å; V200-F259 HydrophobicContact CG2-CE2 3.66Å; V200-F259 HydrophobicContact CG2-CZ 3.85Å; V200-F259 PolarHBondContact N-O 3.06Å; V200-F259 PolarHBondContact O-N 3.31Å; V200-L261 HydrophobicContact CG2-CB 4.13Å; V200-L261 HydrophobicContact CG2-CD2 4.29Å
201	Y	93.5	Very high	82.3	Confident	3 Å²	3	23 Å²	23	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	109	-179.7	-64.2	-87.2	0	0	0	108.3	K199 A208 H209 R232 F278 V279	K199-Y201 HydrophobicContact CB-CE2 4.28Å; K199-Y201 HydrophobicContact CD-CE1 4.42Å; K199-Y201 HydrophobicContact CD-CE2 4.02Å; K199-Y201 WeakPolarHBondContact CD-OH 3.35Å; K199-Y201 HydrophobicContact CG-CD2 4.4Å; K199-Y201 HydrophobicContact CG-CE2 3.7Å; Y201-A208 CarbonylContact O-C 3.55Å; Y201-A208 WeakPolarHBondContact O-CA 3.13Å; Y201-H209 PolarHBondContact N-O 2.75Å; Y201-H209 PolarHBondContact O-N 2.98Å; Y201-R232 PolarHBondContact OH-NH1 3.1Å; Y201-F278 VanDerWaalsContact CE1-O 3.22Å; Y201-F278 WeakPolarHBondContact CE1-O 3.28Å; Y201-F278 PolarHBondContact OH-O 2.76Å; Y201-V279 HydrophobicContact CD1-CG2 4.29Å; Y201-V279 HydrophobicContact CD2-CG2 3.55Å; Y201-V279 HydrophobicContact CE2-CG2 3.88Å; Y201-V279 HydrophobicContact CG-CG2 3.75Å
202	A	93.2	Very high	81.8	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142	178.5	0	0	0	0	0	110.7	Y207 V249 V256 C257	A202-Y207 VanDerWaalsContact CA-O 3.28Å; A202-Y207 WeakPolarHBondContact CA-O 3.17Å; A202-V249 HydrophobicContact CB-CG2 3.56Å; A202-V256 WeakPolarHBondContact O-CA 3.48Å; A202-C257 PolarHBondContact N-O 3.33Å; A202-C257 PolarHBondContact O-N 3.35Å
203	V	90.5	Very high	81.9	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	96	172.8	-175	0	0	0	0	107.4	Y207 T255 V256 Y285 I292 L293	V203-Y207 HydrophobicContact CB-CD1 3.87Å; V203-Y207 HydrophobicContact CB-CE1 4.49Å; V203-Y207 HydrophobicContact CG2-CD1 4.13Å; V203-Y207 HydrophobicContact CG2-CE1 4.32Å; V203-Y207 PolarHBondContact N-O 2.92Å; V203-Y207 WeakPolarHBondContact O-CB 3.25Å; V203-T255 CarbonylContact C-O 3.5Å; V203-T255 WeakPolarHBondContact CA-O 3.36Å; V203-V256 HydrophobicContact CG1-CG2 4.18Å; V203-V256 HydrophobicContact CG2-CG1 4.33Å; V203-Y285 HydrophobicContact CG2-CE2 3.91Å; V203-I292 HydrophobicContact CG1-CB 4.15Å; V203-I292 HydrophobicContact CG1-CG2 3.91Å; V203-L293 HydrophobicContact CG1-CD2 4.09Å; V203-L293 HydrophobicContact CG1-CG 3.95Å
204	G	87.5	Confident	82	Confident	2 Å²	2	22.3 Å²	22.3	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	73.2	173.1	-164.9	0	0	0	0	0	112.7	D206 T255	G204-D206 PolarHBondContact O-N 2.94Å; G204-T255 PolarHBondContact N-O 2.79Å
205	P	84.3	Confident	82.6	Confident	33 Å²	33	15 Å²	15	21%	0.214	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.9	-171.4	32.6	-38.5	0	0	0	113.9	R246 V249	P205-R246 HydrophobicContact CB-CG 4.13Å; P205-R246 WeakPolarHBondContact O-CB 3.36Å; P205-R246 WeakPolarHBondContact O-CG 3.49Å; P205-R246 PolarHBondContact O-NH1 3.02Å; P205-R246 VanDerWaalsContact O-NH1 3.17Å; P205-V249 HydrophobicContact CB-CG1 4.14Å
206	D	80.7	Confident	83.2	Confident	27 Å²	27	15.1 Å²	15.1	14%	0.144	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-0	-171.7	-73.3	-61.8	0	0	0	114.2	G204 R246 T511 S770	G204-D206 PolarHBondContact O-N 2.94Å; D206-R246 IonicContact OD1-CZ 3.2Å; D206-R246 IonicContact OD1-NH1 2.66Å; D206-R246 PolarHBondContact OD1-NH1 3.46Å; D206-R246 IonicContact OD2-CZ 2.57Å; D206-R246 IonicContact OD2-NH1 3.68Å; D206-R246 PolarHBondContact OD2-NH1 3.14Å; D206-T511 WeakPolarHBondContact O-CG2 3.14Å; D206-S770 WeakPolarHBondContact OD2-CB 3.42Å
207	Y	84.5	Confident	83.6	Confident	7 Å²	7	12.8 Å²	12.8	3%	0.027	7%	0.068	C	C	.	.			trans	-128	127.9	177.3	176.9	-90.7	0	0	0	110.9	A202 V203 H209 Y285 D288 I292 R507 T511	A202-Y207 VanDerWaalsContact CA-O 3.28Å; A202-Y207 WeakPolarHBondContact CA-O 3.17Å; V203-Y207 HydrophobicContact CB-CD1 3.87Å; V203-Y207 HydrophobicContact CB-CE1 4.49Å; V203-Y207 HydrophobicContact CG2-CD1 4.13Å; V203-Y207 HydrophobicContact CG2-CE1 4.32Å; V203-Y207 PolarHBondContact N-O 2.92Å; V203-Y207 WeakPolarHBondContact O-CB 3.25Å; Y207-H209 HydrophobicContact CE1-CB 4.12Å; Y207-Y285 HydrophobicContact CE1-CD2 4.01Å; Y207-Y285 HydrophobicContact CE1-CE2 4.14Å; Y207-D288 HydrophobicContact CE1-CB 4.45Å; Y207-D288 HydrophobicContact CE2-CB 3.69Å; Y207-D288 WeakPolarHBondContact CE2-OD2 3.42Å; Y207-D288 WeakPolarHBondContact OH-CB 3.38Å; Y207-D288 PolarHBondContact OH-OD2 2.82Å; Y207-I292 VanDerWaalsContact CB-CD1 3.49Å; Y207-I292 HydrophobicContact CD1-CD1 3.9Å; Y207-I292 HydrophobicContact CD2-CD1 3.72Å; Y207-I292 HydrophobicContact CE2-CD1 4.37Å; Y207-I292 HydrophobicContact CG-CD1 3.43Å; Y207-I292 VanDerWaalsContact CG-CD1 3.43Å; Y207-R507 HydrophobicContact CD2-CG 4.18Å; Y207-R507 HydrophobicContact CE2-CG 4.22Å; Y207-T511 HydrophobicContact CD2-CG2 4.34Å
208	A	86.7	Confident	83	Confident	4 Å²	4	17.2 Å²	17.2	3%	0.033	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	124.4	172.9	0	0	0	0	0	109.9	V200 Y201 L237 A245	V200-A208 HydrophobicContact CG1-CB 3.88Å; Y201-A208 CarbonylContact O-C 3.55Å; Y201-A208 WeakPolarHBondContact O-CA 3.13Å; A208-L237 HydrophobicContact CB-CD1 3.71Å; A208-A245 HydrophobicContact CB-CB 3.78Å
209	H	85.9	Confident	82.1	Confident	7 Å²	7	20.1 Å²	20.1	3%	0.032	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.9	169	-179.8	89	0	0	0	108.9	V200 Y201 Y207 E211 V279 Y285	V200-H209 CarbonylContact C-O 3.56Å; V200-H209 WeakPolarHBondContact CA-O 3.43Å; Y201-H209 PolarHBondContact N-O 2.75Å; Y201-H209 PolarHBondContact O-N 2.98Å; Y207-H209 HydrophobicContact CE1-CB 4.12Å; H209-E211 WeakPolarHBondContact NE2-CG 3.42Å; H209-E211 IonicContact NE2-OE1 2.79Å; H209-E211 PolarHBondContact NE2-OE1 3.13Å; H209-V279 WeakPolarHBondContact CD2-CG2 3.32Å; H209-Y285 HydrophobicContact CB-CD2 3.67Å; H209-Y285 HydrophobicContact CB-CE2 4.17Å
210	A	86.4	Confident	81.2	Confident	2 Å²	2	18.7 Å²	18.7	2%	0.017	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.5	-179.8	0	0	0	0	0	111.9	V198 K199 V200 P234 V235 L237	V198-A210 HydrophobicContact CG1-CB 3.91Å; K199-A210 CarbonylContact O-C 3.49Å; K199-A210 VanDerWaalsContact O-CA 3.26Å; K199-A210 WeakPolarHBondContact O-CA 3.46Å; V200-A210 HydrophobicContact CG2-CB 4.02Å; A210-P234 CarbonylContact O-C 3.49Å; A210-P234 WeakPolarHBondContact O-CA 3.03Å; A210-V235 HydrophobicContact CB-CB 4.25Å; A210-V235 WeakPolarHBondContact CB-O 3.35Å; A210-V235 PolarHBondContact O-N 2.94Å; A210-L237 HydrophobicContact CB-CD1 4.22Å; A210-L237 HydrophobicContact CB-CD2 3.57Å; A210-L237 HydrophobicContact CB-CG 3.74Å
211	E	83.5	Confident	80.3	Confident	7 Å²	7	24 Å²	24	3%	0.033	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.4	177.8	-60	-175	147.1	0	0	110.4	K199 H209 R232 Y233 V279	K199-E211 PolarHBondContact N-O 3.31Å; K199-E211 PolarHBondContact O-N 3.28Å; H209-E211 WeakPolarHBondContact NE2-CG 3.42Å; H209-E211 IonicContact NE2-OE1 2.79Å; H209-E211 PolarHBondContact NE2-OE1 3.13Å; E211-R232 HydrophobicContact CB-CB 4.16Å; E211-R232 WeakPolarHBondContact OE2-CD 3.21Å; E211-R232 IonicContact OE2-NH1 3.91Å; E211-R232 PolarHBondContact OE2-NH1 3.26Å; E211-Y233 CarbonylContact C-O 3.5Å; E211-Y233 VanDerWaalsContact CA-O 3.23Å; E211-Y233 WeakPolarHBondContact CA-O 3.43Å; E211-V279 WeakPolarHBondContact OE1-CG1 3.25Å
212	A	75.3	Confident	79.5	Confident	3 Å²	3	24.3 Å²	24.3	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	147.8	173	0	0	0	0	0	109.6	T196 D197 R232 Y233 V235	T196-A212 HydrophobicContact CG2-CB 3.7Å; D197-A212 CarbonylContact O-C 3.51Å; D197-A212 VanDerWaalsContact O-CA 3.28Å; D197-A212 WeakPolarHBondContact O-CA 3.45Å; A212-R232 WeakPolarHBondContact O-CA 3.48Å; A212-Y233 PolarHBondContact N-O 2.79Å; A212-Y233 PolarHBondContact O-N 3.1Å; A212-V235 HydrophobicContact CB-CG2 3.26Å
213	R	75.4	Confident	78.4	Confident	31 Å²	31	28.5 Å²	28.5	12%	0.117	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.1	171.8	59.2	-179.7	177.1	145.3	-1.4	109.5	T196 D197 S215 E230 R232 D260	T196-R213 WeakPolarHBondContact CA-O 3.33Å; D197-R213 HydrophobicContact CB-CG 4.09Å; D197-R213 PolarHBondContact N-O 3.11Å; D197-R213 PolarHBondContact O-N 3.23Å; R213-S215 PolarHBondContact O-N 2.89Å; R213-E230 IonicContact NH1-OE1 3.85Å; R213-E230 PolarHBondContact NH1-OE1 3.43Å; R213-R232 HydrophobicContact CB-CG 4.42Å; R213-D260 IonicContact NH2-OD2 2.8Å; R213-D260 PolarHBondContact NH2-OD2 3.27Å
214	K	70.7	Confident	77.9	Confident	52 Å²	52	33 Å²	33	23%	0.226	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	133	167.3	-169.8	173.7	69.7	179.3	0	109.4	L218 D219 K221 E223	K214-L218 HydrophobicContact CD-CD2 4.17Å; K214-L218 HydrophobicContact CG-CD2 4.15Å; K214-D219 WeakPolarHBondContact CE-OD1 3.48Å; K214-D219 IonicContact NZ-OD1 3.25Å; K214-D219 PolarHBondContact NZ-OD1 3.47Å; K214-D219 VanDerWaalsContact NZ-OD1 3.08Å; K214-D219 IonicContact NZ-OD2 2.76Å; K214-D219 PolarHBondContact NZ-OD2 2.98Å; K214-K221 WeakPolarHBondContact CE-O 3.41Å; K214-K221 PolarHBondContact NZ-O 3.3Å; K214-E223 IonicContact NZ-OE1 3.25Å; K214-E223 PolarHBondContact NZ-OE1 2.95Å
215	S	77	Confident	77.3	Confident	9 Å²	9	35.5 Å²	35.5	6%	0.063	18%	0.175	C	C	.	.			trans	-63.6	132.6	179.4	-172.2	0	0	0	0	110.3	G195 D197 R213 A217 L218	G195-S215 WeakPolarHBondContact O-CB 3.21Å; G195-S215 PolarHBondContact O-N 2.65Å; D197-S215 WeakPolarHBondContact OD1-CB 3.42Å; D197-S215 PolarHBondContact OD1-OG 3.23Å; R213-S215 PolarHBondContact O-N 2.89Å; S215-A217 PolarHBondContact O-N 2.71Å; S215-L218 WeakPolarHBondContact O-CB 3.28Å; S215-L218 PolarHBondContact O-N 2.5Å
216	P	78.9	Confident	76.8	Confident	20 Å²	20	39.8 Å²	39.8	13%	0.13	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.3	176.9	29.6	-33	0	0	0	112.4	L162 S171 D197 L218	L162-P216 HydrophobicContact CD2-CB 4.18Å; L162-P216 HydrophobicContact CD2-CG 3.89Å; L162-P216 HydrophobicContact CG-CB 4.42Å; S171-P216 WeakPolarHBondContact CB-O 3.48Å; S171-P216 PolarHBondContact OG-O 3.1Å; D197-P216 WeakPolarHBondContact OD2-CD 3.37Å; P216-L218 VanDerWaalsContact C-N 3.26Å; P216-L218 PolarHBondContact O-N 3.25Å
217	A	73.3	Confident	76.4	Confident	11 Å²	11	44.2 Å²	44.2	9%	0.091	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.5	176	0	0	0	0	0	113.5	I149 Y151 F190 S215	I149-A217 HydrophobicContact CD1-CB 3.41Å; I149-A217 VanDerWaalsContact CD1-CB 3.41Å; Y151-A217 PolarHBondContact OH-O 3.09Å; F190-A217 HydrophobicContact CE2-CB 4.2Å; S215-A217 PolarHBondContact O-N 2.71Å
218	L	65.4	Low	75.9	Confident	107 Å²	107	45.7 Å²	45.7	56%	0.56	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-66.7	-170.2	-169.4	71.7	0	0	0	113.3	K214 S215 P216	K214-L218 HydrophobicContact CD-CD2 4.17Å; K214-L218 HydrophobicContact CG-CD2 4.15Å; S215-L218 WeakPolarHBondContact O-CB 3.28Å; S215-L218 PolarHBondContact O-N 2.5Å; P216-L218 VanDerWaalsContact C-N 3.26Å; P216-L218 PolarHBondContact O-N 3.25Å
219	D	68.8	Low	75.5	Confident	66 Å²	66	48.1 Å²	48.1	35%	0.353	26%	0.256	S	S	.	.	S	Bend	trans	-131.2	-3.7	-178.7	67	1.9	0	0	0	113	R169 K214 K221	R169-D219 PolarHBondContact NH1-O 3.49Å; K214-D219 WeakPolarHBondContact CE-OD1 3.48Å; K214-D219 IonicContact NZ-OD1 3.25Å; K214-D219 PolarHBondContact NZ-OD1 3.47Å; K214-D219 VanDerWaalsContact NZ-OD1 3.08Å; K214-D219 IonicContact NZ-OD2 2.76Å; K214-D219 PolarHBondContact NZ-OD2 2.98Å; D219-K221 PolarHBondContact O-N 3.15Å; D219-K221 VanDerWaalsContact O-N 3.09Å; D219-K221 PolarHBondContact OD1-N 2.78Å
220	G	70.5	Confident	75.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.			trans	67	-3	-174.1	0	0	0	0	0	116	R169 S170 S171	R169-G220 CarbonylContact C-O 3.57Å; R169-G220 WeakPolarHBondContact CA-O 3.31Å; S170-G220 PolarHBondContact N-O 2.9Å; S170-G220 PolarHBondContact OG-O 2.84Å; S171-G220 WeakPolarHBondContact OG-CA 3.3Å; S171-G220 PolarHBondContact OG-N 3.46Å
221	K	74.6	Confident	74.4	Confident	113 Å²	113	51.1 Å²	51.1	49%	0.491	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-81.7	118.7	-179.2	-177.3	-177.8	178	-176.4	0	110	N168 K214 D219	N168-K221 CarbonylContact O-C 3.59Å; N168-K221 WeakPolarHBondContact O-CA 3.32Å; K214-K221 WeakPolarHBondContact CE-O 3.41Å; K214-K221 PolarHBondContact NZ-O 3.3Å; D219-K221 PolarHBondContact O-N 3.15Å; D219-K221 VanDerWaalsContact O-N 3.09Å; D219-K221 PolarHBondContact OD1-N 2.78Å
222	V	77.2	Confident	73.8	Confident	9 Å²	9	52.6 Å²	52.6	6%	0.055	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-85.6	117.2	174.6	-173.7	0	0	0	0	108.5	K165 N168 R224 E230	K165-V222 HydrophobicContact CD-CG1 4.34Å; K165-V222 HydrophobicContact CD-CG2 3.83Å; K165-V222 HydrophobicContact CG-CG2 4.04Å; N168-V222 PolarHBondContact O-N 3.5Å; V222-R224 HydrophobicContact CG1-CG 4.38Å; V222-E230 HydrophobicContact CG1-CB 3.98Å; V222-E230 HydrophobicContact CG1-CG 3.78Å
223	E	69.9	Low	73.3	Confident	88 Å²	88	54 Å²	54	41%	0.411	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-77	133.1	172.8	-72.4	170	-157.9	0	0	109.4	K214 E230 I231	K214-E223 IonicContact NZ-OE1 3.25Å; K214-E223 PolarHBondContact NZ-OE1 2.95Å; E223-E230 CarbonylContact O-C 3.52Å; E223-E230 WeakPolarHBondContact O-CA 3.29Å; E223-I231 HydrophobicContact CB-CB 4.37Å; E223-I231 HydrophobicContact CB-CD1 4.1Å; E223-I231 HydrophobicContact CB-CG1 4.35Å; E223-I231 PolarHBondContact O-N 3.01Å
224	R	80.1	Confident	73	Confident	95 Å²	95	53.4 Å²	53.4	36%	0.358	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-122.9	143.9	-179.4	-62.9	-171	180	-111.2	2.3	111.1	D167 N168 V222 G228 K229	D167-R224 VanDerWaalsContact O-CZ 3.27Å; D167-R224 PolarHBondContact O-NE 3.41Å; D167-R224 VanDerWaalsContact O-NE 3.12Å; D167-R224 PolarHBondContact O-NH2 3.38Å; N168-R224 WeakPolarHBondContact OD1-CD 3.27Å; N168-R224 WeakPolarHBondContact OD1-CG 3.11Å; N168-R224 PolarHBondContact OD1-NE 2.89Å; V222-R224 HydrophobicContact CG1-CG 4.38Å; R224-G228 WeakPolarHBondContact CD-O 3.35Å; R224-G228 PolarHBondContact NH1-O 3.13Å; R224-K229 CarbonylContact C-O 3.56Å; R224-K229 WeakPolarHBondContact CA-O 3.42Å; R224-K229 WeakPolarHBondContact CB-O 3.35Å
225	D	73.3	Confident	72.8	Confident	54 Å²	54	51.4 Å²	51.4	29%	0.289	27%	0.273	S	S	.	.			trans	-73.8	-179	172.2	63.2	20.1	0	0	0	111.4	D227 G228 K229 I231	D225-D227 PolarHBondContact O-N 2.94Å; D225-D227 WeakPolarHBondContact OD1-CA 3.38Å; D225-D227 WeakPolarHBondContact OD1-CB 3.12Å; D225-D227 PolarHBondContact OD1-N 3.49Å; D225-G228 PolarHBondContact O-N 2.92Å; D225-G228 PolarHBondContact OD1-N 3.32Å; D225-G228 VanDerWaalsContact OD1-N 3.15Å; D225-K229 PolarHBondContact N-O 3.43Å; D225-K229 PolarHBondContact OD1-N 2.98Å; D225-I231 HydrophobicContact CB-CG1 4.19Å
226	S	74.4	Confident	72.3	Confident	123 Å²	123	52.3 Å²	52.3	86%	0.86	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.8	177.6	49.9	0	0	0	0	113.8	G228	S226-G228 VanDerWaalsContact C-N 3.29Å
227	D	71.8	Confident	72.1	Confident	121 Å²	121	51.6 Å²	51.6	65%	0.647	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4.7	177.5	-63.4	-25.9	0	0	0	112.2	D225 K229	D225-D227 PolarHBondContact O-N 2.94Å; D225-D227 WeakPolarHBondContact OD1-CA 3.38Å; D225-D227 WeakPolarHBondContact OD1-CB 3.12Å; D225-D227 PolarHBondContact OD1-N 3.49Å; D227-K229 VanDerWaalsContact C-N 3.28Å; D227-K229 HydrophobicContact CB-CG 4.37Å; D227-K229 PolarHBondContact O-N 2.99Å
228	G	75.8	Confident	72	Confident	37 Å²	37	53.3 Å²	53.3	38%	0.381	28%	0.284	S	S	.	.	S	Bend	trans	68.7	24	-175.9	0	0	0	0	0	113	R224 D225 S226	R224-G228 WeakPolarHBondContact CD-O 3.35Å; R224-G228 PolarHBondContact NH1-O 3.13Å; D225-G228 PolarHBondContact O-N 2.92Å; D225-G228 PolarHBondContact OD1-N 3.32Å; D225-G228 VanDerWaalsContact OD1-N 3.15Å; S226-G228 VanDerWaalsContact C-N 3.29Å
229	K	77.4	Confident	72	Confident	55 Å²	55	48.8 Å²	48.8	24%	0.239	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-97.5	146.6	173.1	-61.3	177.5	-173.6	164.1	0	110.6	R224 D225 D227 I231 T281	R224-K229 CarbonylContact C-O 3.56Å; R224-K229 WeakPolarHBondContact CA-O 3.42Å; R224-K229 WeakPolarHBondContact CB-O 3.35Å; D225-K229 PolarHBondContact N-O 3.43Å; D225-K229 PolarHBondContact OD1-N 2.98Å; D227-K229 VanDerWaalsContact C-N 3.28Å; D227-K229 HydrophobicContact CB-CG 4.37Å; D227-K229 PolarHBondContact O-N 2.99Å; K229-I231 PolarHBondContact O-N 3.05Å; K229-T281 HydrophobicContact CD-CG2 3.52Å
230	E	79.7	Confident	72.4	Confident	28 Å²	28	50.8 Å²	50.8	13%	0.131	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-55.7	125.1	174.5	177	178.7	-139.8	0	0	110	K165 R213 V222 E223 R232	K165-E230 IonicContact NZ-OE1 3.16Å; K165-E230 PolarHBondContact NZ-OE1 2.88Å; K165-E230 IonicContact NZ-OE2 2.76Å; K165-E230 PolarHBondContact NZ-OE2 3.36Å; R213-E230 IonicContact NH1-OE1 3.85Å; R213-E230 PolarHBondContact NH1-OE1 3.43Å; V222-E230 HydrophobicContact CG1-CB 3.98Å; V222-E230 HydrophobicContact CG1-CG 3.78Å; E223-E230 CarbonylContact O-C 3.52Å; E223-E230 WeakPolarHBondContact O-CA 3.29Å; E230-R232 HydrophobicContact CG-CG 4.36Å; E230-R232 PolarHBondContact O-N 3.21Å; E230-R232 IonicContact OE2-CZ 3.25Å; E230-R232 IonicContact OE2-NE 3.09Å; E230-R232 PolarHBondContact OE2-NE 3.38Å; E230-R232 IonicContact OE2-NH2 2.88Å; E230-R232 PolarHBondContact OE2-NH2 3.02Å
231	I	70	Confident	73.2	Confident	45 Å²	45	51 Å²	51	23%	0.231	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-66	128.8	178	-63.7	-177	0	0	0	108.7	E223 D225 K229 Y233	E223-I231 HydrophobicContact CB-CB 4.37Å; E223-I231 HydrophobicContact CB-CD1 4.1Å; E223-I231 HydrophobicContact CB-CG1 4.35Å; E223-I231 PolarHBondContact O-N 3.01Å; D225-I231 HydrophobicContact CB-CG1 4.19Å; K229-I231 PolarHBondContact O-N 3.05Å; I231-Y233 HydrophobicContact CG2-CD2 4.42Å; I231-Y233 HydrophobicContact CG2-CE1 4.04Å; I231-Y233 HydrophobicContact CG2-CE2 3.59Å; I231-Y233 VanDerWaalsContact CG2-OH 3.3Å; I231-Y233 WeakPolarHBondContact CG2-OH 3.41Å
232	R	71	Confident	73.5	Confident	37 Å²	37	45.8 Å²	45.8	14%	0.14	24%	0.242	C	C	.	.			trans	-139.7	147.9	179.8	-66.9	-177	-176.1	-160.5	-6.4	109.8	Y201 E211 A212 R213 E230	Y201-R232 PolarHBondContact OH-NH1 3.1Å; E211-R232 HydrophobicContact CB-CB 4.16Å; E211-R232 WeakPolarHBondContact OE2-CD 3.21Å; E211-R232 IonicContact OE2-NH1 3.91Å; E211-R232 PolarHBondContact OE2-NH1 3.26Å; A212-R232 WeakPolarHBondContact O-CA 3.48Å; R213-R232 HydrophobicContact CB-CG 4.42Å; E230-R232 HydrophobicContact CG-CG 4.36Å; E230-R232 PolarHBondContact O-N 3.21Å; E230-R232 IonicContact OE2-CZ 3.25Å; E230-R232 IonicContact OE2-NE 3.09Å; E230-R232 PolarHBondContact OE2-NE 3.38Å; E230-R232 IonicContact OE2-NH2 2.88Å; E230-R232 PolarHBondContact OE2-NH2 3.02Å
233	Y	64.9	Low	73.9	Confident	34 Å²	34	48.3 Å²	48.3	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.1	-179.3	-57.6	-76.1	0	0	0	108.5	E211 A212 I231 V235 Q543 P546	E211-Y233 CarbonylContact C-O 3.5Å; E211-Y233 VanDerWaalsContact CA-O 3.23Å; E211-Y233 WeakPolarHBondContact CA-O 3.43Å; A212-Y233 PolarHBondContact N-O 2.79Å; A212-Y233 PolarHBondContact O-N 3.1Å; I231-Y233 HydrophobicContact CG2-CD2 4.42Å; I231-Y233 HydrophobicContact CG2-CE1 4.04Å; I231-Y233 HydrophobicContact CG2-CE2 3.59Å; I231-Y233 VanDerWaalsContact CG2-OH 3.3Å; I231-Y233 WeakPolarHBondContact CG2-OH 3.41Å; Y233-V235 WeakPolarHBondContact O-CG2 3.28Å; Y233-V235 PolarHBondContact O-N 3.24Å; Y233-Q543 HydrophobicContact CE1-CB 3.93Å; Y233-Q543 HydrophobicContact CE1-CG 4.23Å; Y233-P546 HydrophobicContact CD1-CB 4.24Å; Y233-P546 HydrophobicContact CD1-CG 3.83Å; Y233-P546 HydrophobicContact CD2-CB 3.92Å; Y233-P546 HydrophobicContact CD2-CG 3.52Å; Y233-P546 HydrophobicContact CE1-CG 4.03Å; Y233-P546 HydrophobicContact CE2-CG 3.72Å; Y233-P546 HydrophobicContact CG-CB 3.69Å; Y233-P546 HydrophobicContact CG-CG 3.55Å
234	P	68	Low	74.9	Confident	17 Å²	17	44.7 Å²	44.7	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	141.4	177.4	29.1	-36	0	0	0	110.1	A210 L540 E541	A210-P234 CarbonylContact O-C 3.49Å; A210-P234 WeakPolarHBondContact O-CA 3.03Å; P234-L540 HydrophobicContact CB-CD2 3.95Å; P234-L540 HydrophobicContact CG-CB 3.73Å; P234-L540 HydrophobicContact CG-CD2 3.78Å; P234-L540 HydrophobicContact CG-CG 4.23Å; P234-E541 WeakPolarHBondContact CD-O 3.17Å
235	V	66.2	Low	75.4	Confident	11 Å²	11	40.3 Å²	40.3	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.9	-175.1	-179.2	0	0	0	0	108.4	V198 A210 A212 Y233 Q550	V198-V235 HydrophobicContact CG1-CG1 4.42Å; A210-V235 HydrophobicContact CB-CB 4.25Å; A210-V235 WeakPolarHBondContact CB-O 3.35Å; A210-V235 PolarHBondContact O-N 2.94Å; A212-V235 HydrophobicContact CB-CG2 3.26Å; Y233-V235 WeakPolarHBondContact O-CG2 3.28Å; Y233-V235 PolarHBondContact O-N 3.24Å; V235-Q550 VanDerWaalsContact CG2-NE2 3.28Å
236	I	68.2	Low	76.3	Confident	27 Å²	27	38.4 Å²	38.4	14%	0.138	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-90.8	133.6	171	-83.9	174.2	0	0	0	110.2	R263 H509 L538 M551	I236-R263 PolarHBondContact O-NH2 3.04Å; I236-H509 WeakPolarHBondContact CD1-CD2 3.33Å; I236-H509 WeakPolarHBondContact CG2-NE2 3.48Å; I236-L538 HydrophobicContact CD1-CD1 3.38Å; I236-L538 HydrophobicContact CD1-CD2 4.25Å; I236-L538 HydrophobicContact CD1-CG 4.44Å; I236-M551 HydrophobicContact CB-SD 3.66Å; I236-M551 HydrophobicContact CD1-CE 3.38Å; I236-M551 HydrophobicContact CD1-SD 3.34Å; I236-M551 WeakPolarHBondContact CD1-SD 3.3Å; I236-M551 HydrophobicContact CG1-SD 3.89Å; I236-M551 HydrophobicContact CG2-SD 4.21Å
237	L	73.5	Confident	77.2	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.031	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-82.9	140.2	173.1	-62.7	-179.1	0	0	0	111.3	V198 V200 A208 A210 E241 K242 L261	V198-L237 HydrophobicContact CG1-CD2 4.34Å; V200-L237 HydrophobicContact CG1-CD1 3.69Å; V200-L237 HydrophobicContact CG2-CD1 4.13Å; V200-L237 HydrophobicContact CG2-CD2 3.86Å; A208-L237 HydrophobicContact CB-CD1 3.71Å; A210-L237 HydrophobicContact CB-CD1 4.22Å; A210-L237 HydrophobicContact CB-CD2 3.57Å; A210-L237 HydrophobicContact CB-CG 3.74Å; L237-E241 WeakPolarHBondContact CA-OE2 3.26Å; L237-E241 HydrophobicContact CB-CB 4.04Å; L237-E241 HydrophobicContact CD2-CB 4.05Å; L237-E241 HydrophobicContact CG-CB 4.49Å; L237-K242 HydrophobicContact CB-CB 3.96Å; L237-K242 HydrophobicContact CB-CG 4.09Å; L237-K242 HydrophobicContact CD1-CB 4.4Å; L237-K242 HydrophobicContact CD1-CG 4.33Å; L237-K242 WeakPolarHBondContact O-CE 3.43Å; L237-K242 PolarHBondContact O-NZ 2.95Å; L237-L261 HydrophobicContact CD2-CD2 4.04Å
238	S	70.4	Confident	78.3	Confident	47 Å²	47	30.4 Å²	30.4	33%	0.329	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-67.3	165.2	166.7	81.5	0	0	0	0	110.6	R240 E241 K242	S238-R240 PolarHBondContact O-N 3.33Å; S238-R240 PolarHBondContact OG-N 2.99Å; S238-E241 PolarHBondContact N-OE2 3.45Å; S238-E241 PolarHBondContact O-N 2.86Å; S238-E241 VanDerWaalsContact OG-CG 3.28Å; S238-E241 WeakPolarHBondContact OG-CG 3.32Å; S238-E241 PolarHBondContact OG-N 2.87Å; S238-K242 WeakPolarHBondContact O-CB 2.93Å; S238-K242 PolarHBondContact O-N 3.36Å
239	S	66.8	Low	79.1	Confident	11 Å²	11	29 Å²	29	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-50.6	-46.8	174.3	-125.5	0	0	0	0	113.2	E241 K242 L243 Y512 A761 T762 R763	S239-E241 PolarHBondContact O-N 2.79Å; S239-K242 PolarHBondContact O-N 2.81Å; S239-L243 WeakPolarHBondContact O-CB 3.33Å; S239-L243 WeakPolarHBondContact O-CG 3.18Å; S239-L243 PolarHBondContact O-N 3.04Å; S239-Y512 WeakPolarHBondContact O-CE1 3.18Å; S239-A761 WeakPolarHBondContact CB-O 3.44Å; S239-A761 PolarHBondContact OG-O 2.99Å; S239-T762 WeakPolarHBondContact OG-CA 3.02Å; S239-T762 PolarHBondContact OG-O 2.85Å; S239-R763 PolarHBondContact OG-N 3.48Å; S239-R763 PolarHBondContact OG-O 2.88Å
240	R	75.9	Confident	79.9	Confident	109 Å²	109	33.2 Å²	33.2	41%	0.411	15%	0.153	S	C	.	.	H	α-helix	trans	-64.1	-43.9	-176.6	-175.3	177.7	179.1	-178.2	1.5	111.4	E99 S238 K242 L243 I244	E99-R240 IonicContact OE1-CZ 3.67Å; E99-R240 IonicContact OE1-NH2 3.22Å; E99-R240 PolarHBondContact OE1-NH2 2.81Å; E99-R240 IonicContact OE2-NH2 3.25Å; E99-R240 PolarHBondContact OE2-NH2 3.27Å; S238-R240 PolarHBondContact O-N 3.33Å; S238-R240 PolarHBondContact OG-N 2.99Å; R240-K242 VanDerWaalsContact C-N 3.33Å; R240-L243 WeakPolarHBondContact O-CB 3.4Å; R240-L243 PolarHBondContact O-N 3.18Å; R240-I244 VanDerWaalsContact O-CG1 3.3Å; R240-I244 WeakPolarHBondContact O-CG1 3.45Å; R240-I244 PolarHBondContact O-N 3.28Å
241	E	87.3	Confident	80.6	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-68.6	-36.5	-179.6	-67	174.4	152.3	0	0	112.9	L237 S238 S239 L243 I244 A245 L261 R263 S268	L237-E241 WeakPolarHBondContact CA-OE2 3.26Å; L237-E241 HydrophobicContact CB-CB 4.04Å; L237-E241 HydrophobicContact CD2-CB 4.05Å; L237-E241 HydrophobicContact CG-CB 4.49Å; S238-E241 PolarHBondContact N-OE2 3.45Å; S238-E241 PolarHBondContact O-N 2.86Å; S238-E241 VanDerWaalsContact OG-CG 3.28Å; S238-E241 WeakPolarHBondContact OG-CG 3.32Å; S238-E241 PolarHBondContact OG-N 2.87Å; S239-E241 PolarHBondContact O-N 2.79Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-I244 VanDerWaalsContact O-CB 3.31Å; E241-I244 WeakPolarHBondContact O-CB 3.48Å; E241-I244 PolarHBondContact O-N 2.71Å; E241-A245 PolarHBondContact O-N 3.22Å; E241-L261 HydrophobicContact CB-CD2 3.92Å; E241-L261 HydrophobicContact CG-CD2 3.7Å; E241-R263 WeakPolarHBondContact OE1-CG 2.98Å; E241-R263 IonicContact OE1-CZ 3.97Å; E241-R263 IonicContact OE1-NE 2.79Å; E241-R263 PolarHBondContact OE1-NE 3.08Å; E241-R263 IonicContact OE1-NH2 3.74Å; E241-R263 IonicContact OE2-CZ 2.84Å; E241-R263 IonicContact OE2-NE 3.35Å; E241-R263 PolarHBondContact OE2-NE 2.67Å; E241-R263 IonicContact OE2-NH2 3.18Å; E241-R263 PolarHBondContact OE2-NH2 3.03Å; E241-S268 WeakPolarHBondContact CG-OG 3.47Å; E241-S268 PolarHBondContact OE1-OG 2.69Å
242	K	81.6	Confident	81.8	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-70.3	-38.3	178.6	-148.4	-174.6	-92.2	171.9	0	106.5	L237 S238 S239 R240 I244 A245 R246 H509 S510 Y512	L237-K242 HydrophobicContact CB-CB 3.96Å; L237-K242 HydrophobicContact CB-CG 4.09Å; L237-K242 HydrophobicContact CD1-CB 4.4Å; L237-K242 HydrophobicContact CD1-CG 4.33Å; L237-K242 WeakPolarHBondContact O-CE 3.43Å; L237-K242 PolarHBondContact O-NZ 2.95Å; S238-K242 WeakPolarHBondContact O-CB 2.93Å; S238-K242 PolarHBondContact O-N 3.36Å; S239-K242 PolarHBondContact O-N 2.81Å; R240-K242 VanDerWaalsContact C-N 3.33Å; K242-I244 VanDerWaalsContact C-N 3.3Å; K242-I244 PolarHBondContact O-N 2.76Å; K242-A245 WeakPolarHBondContact O-CA 3.47Å; K242-A245 WeakPolarHBondContact O-CB 3.33Å; K242-A245 PolarHBondContact O-N 3.35Å; K242-R246 PolarHBondContact O-N 2.7Å; K242-H509 PolarHBondContact NZ-O 2.88Å; K242-S510 WeakPolarHBondContact CD-O 3.37Å; K242-Y512 VanDerWaalsContact CA-OH 3.25Å; K242-Y512 WeakPolarHBondContact CA-OH 3.42Å; K242-Y512 HydrophobicContact CB-CD1 4.34Å; K242-Y512 HydrophobicContact CB-CE1 3.39Å; K242-Y512 HydrophobicContact CB-CE2 3.85Å; K242-Y512 WeakPolarHBondContact CB-OH 3.37Å; K242-Y512 HydrophobicContact CD-CD1 3.5Å; K242-Y512 HydrophobicContact CD-CD2 3.49Å; K242-Y512 VanDerWaalsContact CD-CD2 3.49Å; K242-Y512 HydrophobicContact CD-CE1 3.38Å; K242-Y512 HydrophobicContact CD-CE2 3.28Å; K242-Y512 HydrophobicContact CD-CG 3.6Å; K242-Y512 HydrophobicContact CG-CD1 4.28Å; K242-Y512 HydrophobicContact CG-CD2 4.02Å; K242-Y512 HydrophobicContact CG-CE1 3.65Å; K242-Y512 HydrophobicContact CG-CE2 3.26Å; K242-Y512 HydrophobicContact CG-CG 4.47Å; K242-Y512 WeakPolarHBondContact CG-OH 3.45Å; K242-Y512 PolarHBondContact O-OH 3.35Å
243	L	85.6	Confident	82.9	Confident	62 Å²	62	36.5 Å²	36.5	33%	0.325	17%	0.168	S	C	.	.	H	α-helix	trans	-66	-37	176.8	-85.2	170.7	0	0	0	110.8	S239 R240 E241 A245 R246 K247 Y512 L764	S239-L243 WeakPolarHBondContact O-CB 3.33Å; S239-L243 WeakPolarHBondContact O-CG 3.18Å; S239-L243 PolarHBondContact O-N 3.04Å; R240-L243 WeakPolarHBondContact O-CB 3.4Å; R240-L243 PolarHBondContact O-N 3.18Å; E241-L243 VanDerWaalsContact C-N 3.29Å; L243-A245 VanDerWaalsContact C-N 3.31Å; L243-R246 WeakPolarHBondContact O-CB 3.5Å; L243-R246 PolarHBondContact O-N 3.22Å; L243-K247 WeakPolarHBondContact O-CG 3.5Å; L243-K247 PolarHBondContact O-N 3.05Å; L243-Y512 WeakPolarHBondContact CA-OH 3.28Å; L243-Y512 PolarHBondContact N-OH 2.8Å; L243-L764 HydrophobicContact CD2-CD1 4.3Å; L243-L764 HydrophobicContact CD2-CD2 3.41Å; L243-L764 VanDerWaalsContact CD2-CD2 3.41Å; L243-L764 HydrophobicContact CD2-CG 3.65Å; L243-L764 HydrophobicContact CG-CG 4.38Å
244	I	91.1	Very high	84.3	Confident	11 Å²	11	34.9 Å²	34.9	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-56.3	-47.6	168.3	-71.7	166.2	0	0	0	109.7	I98 R240 E241 K242 R246 K247 I248 F259 V270	I98-I244 HydrophobicContact CG2-CG1 4.4Å; I98-I244 HydrophobicContact CG2-CG2 3.88Å; R240-I244 VanDerWaalsContact O-CG1 3.3Å; R240-I244 WeakPolarHBondContact O-CG1 3.45Å; R240-I244 PolarHBondContact O-N 3.28Å; E241-I244 VanDerWaalsContact O-CB 3.31Å; E241-I244 WeakPolarHBondContact O-CB 3.48Å; E241-I244 PolarHBondContact O-N 2.71Å; K242-I244 VanDerWaalsContact C-N 3.3Å; K242-I244 PolarHBondContact O-N 2.76Å; I244-R246 VanDerWaalsContact C-N 3.34Å; I244-R246 PolarHBondContact O-N 3.17Å; I244-K247 PolarHBondContact O-N 2.79Å; I244-I248 HydrophobicContact CG2-CD1 3.88Å; I244-I248 HydrophobicContact CG2-CG1 4.43Å; I244-I248 VanDerWaalsContact O-CG1 3.32Å; I244-I248 WeakPolarHBondContact O-CG1 3.13Å; I244-I248 PolarHBondContact O-N 2.72Å; I244-F259 HydrophobicContact CG2-CE2 4.32Å; I244-V270 HydrophobicContact CG2-CG2 3.31Å
245	A	91.4	Very high	85.5	Confident	3 Å²	3	35 Å²	35	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-56	-46.8	176.6	0	0	0	0	0	112.5	V200 A208 E241 K242 L243 I248 V249 F259	V200-A245 HydrophobicContact CG1-CB 4.4Å; A208-A245 HydrophobicContact CB-CB 3.78Å; E241-A245 PolarHBondContact O-N 3.22Å; K242-A245 WeakPolarHBondContact O-CA 3.47Å; K242-A245 WeakPolarHBondContact O-CB 3.33Å; K242-A245 PolarHBondContact O-N 3.35Å; L243-A245 VanDerWaalsContact C-N 3.31Å; A245-I248 PolarHBondContact O-N 2.71Å; A245-V249 WeakPolarHBondContact O-CG2 3.46Å; A245-V249 PolarHBondContact O-N 3.07Å; A245-V249 VanDerWaalsContact O-N 3.11Å; A245-F259 HydrophobicContact CB-CE1 3.75Å; A245-F259 HydrophobicContact CB-CZ 3.53Å
246	R	90.4	Very high	86.8	Confident	14 Å²	14	34.6 Å²	34.6	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-50.1	175.5	178.4	174.4	-172.6	85.9	-7.1	112	P205 D206 K242 L243 I244 I248 V249 W250 K768	P205-R246 HydrophobicContact CB-CG 4.13Å; P205-R246 WeakPolarHBondContact O-CB 3.36Å; P205-R246 WeakPolarHBondContact O-CG 3.49Å; P205-R246 PolarHBondContact O-NH1 3.02Å; P205-R246 VanDerWaalsContact O-NH1 3.17Å; D206-R246 IonicContact OD1-CZ 3.2Å; D206-R246 IonicContact OD1-NH1 2.66Å; D206-R246 PolarHBondContact OD1-NH1 3.46Å; D206-R246 IonicContact OD2-CZ 2.57Å; D206-R246 IonicContact OD2-NH1 3.68Å; D206-R246 PolarHBondContact OD2-NH1 3.14Å; K242-R246 PolarHBondContact O-N 2.7Å; L243-R246 WeakPolarHBondContact O-CB 3.5Å; L243-R246 PolarHBondContact O-N 3.22Å; I244-R246 VanDerWaalsContact C-N 3.34Å; I244-R246 PolarHBondContact O-N 3.17Å; R246-I248 VanDerWaalsContact C-N 3.28Å; R246-I248 PolarHBondContact O-N 2.9Å; R246-V249 PolarHBondContact O-N 3.34Å; R246-W250 HydrophobicContact CG-CD2 4.28Å; R246-W250 HydrophobicContact CG-CE3 4.13Å; R246-W250 HydrophobicContact CG-CH2 4.48Å; R246-W250 HydrophobicContact CG-CZ3 4.22Å; R246-W250 VanDerWaalsContact CZ-CH2 3.41Å; R246-W250 PolarHBondContact O-N 3.48Å; R246-K768 VanDerWaalsContact CZ-O 3.29Å; R246-K768 PolarHBondContact NH2-O 2.94Å
247	K	93.7	Very high	88.1	Confident	77 Å²	77	33.3 Å²	33.3	34%	0.335	15%	0.153	S	C	.	.	H	α-helix	trans	-60.6	-38.2	179.3	-74.5	179.5	167.1	-158	0	111.6	A96 Y97 I98 L243 I244 W250 A251	A96-K247 PolarHBondContact O-NZ 3.3Å; Y97-K247 PolarHBondContact O-NZ 3.39Å; Y97-K247 VanDerWaalsContact O-NZ 3.1Å; I98-K247 HydrophobicContact CD1-CB 3.75Å; I98-K247 HydrophobicContact CG1-CB 4.04Å; I98-K247 HydrophobicContact CG1-CD 3.99Å; L243-K247 WeakPolarHBondContact O-CG 3.5Å; L243-K247 PolarHBondContact O-N 3.05Å; I244-K247 PolarHBondContact O-N 2.79Å; K247-W250 PolarHBondContact O-N 3.18Å; K247-A251 WeakPolarHBondContact O-CB 3.21Å; K247-A251 PolarHBondContact O-N 2.86Å
248	I	95.3	Very high	89.1	Confident	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-50.4	176	-71.7	171	0	0	0	110.6	L93 I98 I244 A245 R246 W250 A251 F252 F259 V270 V273	L93-I248 HydrophobicContact CD2-CG1 4.04Å; I98-I248 HydrophobicContact CD1-CG1 3.71Å; I244-I248 HydrophobicContact CG2-CD1 3.88Å; I244-I248 HydrophobicContact CG2-CG1 4.43Å; I244-I248 VanDerWaalsContact O-CG1 3.32Å; I244-I248 WeakPolarHBondContact O-CG1 3.13Å; I244-I248 PolarHBondContact O-N 2.72Å; A245-I248 PolarHBondContact O-N 2.71Å; R246-I248 VanDerWaalsContact C-N 3.28Å; R246-I248 PolarHBondContact O-N 2.9Å; I248-W250 PolarHBondContact O-N 3.44Å; I248-A251 PolarHBondContact O-N 2.93Å; I248-F252 HydrophobicContact CG2-CD2 3.89Å; I248-F252 HydrophobicContact CG2-CE2 4.39Å; I248-F252 WeakPolarHBondContact O-CB 3.49Å; I248-F252 WeakPolarHBondContact O-CD2 3.4Å; I248-F252 PolarHBondContact O-N 3.45Å; I248-F259 HydrophobicContact CD1-CB 4.14Å; I248-F259 HydrophobicContact CD1-CD1 3.59Å; I248-F259 HydrophobicContact CD1-CD2 3.56Å; I248-F259 HydrophobicContact CD1-CE1 3.73Å; I248-F259 HydrophobicContact CD1-CE2 3.7Å; I248-F259 HydrophobicContact CD1-CG 3.49Å; I248-F259 VanDerWaalsContact CD1-CG 3.49Å; I248-F259 HydrophobicContact CD1-CZ 3.77Å; I248-F259 HydrophobicContact CG2-CD1 4.2Å; I248-V270 HydrophobicContact CD1-CG1 4.08Å; I248-V270 HydrophobicContact CD1-CG2 4.02Å; I248-V273 HydrophobicContact CD1-CG2 4.45Å; I248-V273 HydrophobicContact CG2-CG1 3.91Å
249	V	93.7	Very high	90.3	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-54.2	-44.9	179.3	169.6	0	0	0	0	111	A202 P205 A245 R246 R253 Q254	A202-V249 HydrophobicContact CB-CG2 3.56Å; P205-V249 HydrophobicContact CB-CG1 4.14Å; A245-V249 WeakPolarHBondContact O-CG2 3.46Å; A245-V249 PolarHBondContact O-N 3.07Å; A245-V249 VanDerWaalsContact O-N 3.11Å; R246-V249 PolarHBondContact O-N 3.34Å; V249-R253 VanDerWaalsContact O-CA 3.23Å; V249-R253 WeakPolarHBondContact O-CA 3.37Å; V249-R253 PolarHBondContact O-N 3.29Å; V249-Q254 PolarHBondContact O-N 3.35Å
250	W	93.1	Very high	91.6	Very high	143 Å²	143	31.1 Å²	31.1	54%	0.542	14%	0.137	S	C	.	.	H	α-helix	trans	-71.1	-45.6	177.9	-73.4	-19.5	0	0	0	114.2	R246 K247 I248 F252 R253	R246-W250 HydrophobicContact CG-CD2 4.28Å; R246-W250 HydrophobicContact CG-CE3 4.13Å; R246-W250 HydrophobicContact CG-CH2 4.48Å; R246-W250 HydrophobicContact CG-CZ3 4.22Å; R246-W250 VanDerWaalsContact CZ-CH2 3.41Å; R246-W250 PolarHBondContact O-N 3.48Å; K247-W250 PolarHBondContact O-N 3.18Å; I248-W250 PolarHBondContact O-N 3.44Å; W250-F252 VanDerWaalsContact C-N 3.35Å; W250-F252 PolarHBondContact O-N 2.83Å; W250-R253 PolarHBondContact O-N 3.07Å
251	A	94.8	Very high	92.4	Very high	32 Å²	32	26 Å²	26	26%	0.264	12%	0.118	S	C	.	.	H	α-helix	trans	-66.1	-38.3	-175.7	0	0	0	0	0	111.9	I92 A96 K247 I248	I92-A251 HydrophobicContact CG2-CB 3.73Å; A96-A251 HydrophobicContact CB-CB 3.88Å; K247-A251 WeakPolarHBondContact O-CB 3.21Å; K247-A251 PolarHBondContact O-N 2.86Å; I248-A251 PolarHBondContact O-N 2.93Å
252	F	95.3	Very high	92.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-93.9	-8.2	179.3	-70.6	-86.8	0	0	0	113.8	R79 L83 V89 I92 L93 I248 W250 Q254 V273	R79-F252 WeakPolarHBondContact CB-O 3.4Å; L83-F252 HydrophobicContact CD2-CD1 3.4Å; L83-F252 HydrophobicContact CD2-CE1 3.72Å; L83-F252 HydrophobicContact CD2-CG 4.21Å; L83-F252 HydrophobicContact CG-CD1 4.45Å; V89-F252 HydrophobicContact CB-CE1 4.29Å; V89-F252 HydrophobicContact CB-CZ 4.3Å; V89-F252 HydrophobicContact CG1-CE1 4.21Å; V89-F252 HydrophobicContact CG1-CZ 3.84Å; V89-F252 HydrophobicContact CG2-CE1 4.09Å; I92-F252 HydrophobicContact CB-CE1 4.03Å; I92-F252 HydrophobicContact CB-CE2 4.39Å; I92-F252 HydrophobicContact CB-CZ 3.84Å; I92-F252 HydrophobicContact CD1-CD1 4.1Å; I92-F252 HydrophobicContact CD1-CE1 3.8Å; I92-F252 HydrophobicContact CD1-CZ 4.49Å; I92-F252 HydrophobicContact CG2-CD1 4.19Å; I92-F252 HydrophobicContact CG2-CD2 4.03Å; I92-F252 HydrophobicContact CG2-CE1 3.89Å; I92-F252 HydrophobicContact CG2-CE2 3.71Å; I92-F252 HydrophobicContact CG2-CG 4.27Å; I92-F252 HydrophobicContact CG2-CZ 3.63Å; L93-F252 HydrophobicContact CD2-CE2 3.75Å; L93-F252 HydrophobicContact CD2-CZ 4.28Å; L93-F252 HydrophobicContact CG-CE2 4Å; L93-F252 HydrophobicContact CG-CZ 4.02Å; I248-F252 HydrophobicContact CG2-CD2 3.89Å; I248-F252 HydrophobicContact CG2-CE2 4.39Å; I248-F252 WeakPolarHBondContact O-CB 3.49Å; I248-F252 WeakPolarHBondContact O-CD2 3.4Å; I248-F252 PolarHBondContact O-N 3.45Å; W250-F252 VanDerWaalsContact C-N 3.35Å; W250-F252 PolarHBondContact O-N 2.83Å; F252-Q254 HydrophobicContact CB-CB 4.47Å; F252-Q254 HydrophobicContact CB-CG 3.98Å; F252-Q254 PolarHBondContact O-N 2.83Å; F252-Q254 PolarHBondContact O-NE2 3.44Å; F252-V273 HydrophobicContact CD1-CG1 4.45Å; F252-V273 HydrophobicContact CD2-CG1 4.07Å; F252-V273 HydrophobicContact CE1-CG1 4.42Å; F252-V273 HydrophobicContact CE2-CB 4.36Å; F252-V273 HydrophobicContact CE2-CG1 4.06Å; F252-V273 HydrophobicContact CE2-CG2 4.02Å; F252-V273 HydrophobicContact CG-CG1 4.27Å; F252-V273 HydrophobicContact CZ-CB 4.24Å; F252-V273 HydrophobicContact CZ-CG1 4.24Å; F252-V273 HydrophobicContact CZ-CG2 4.13Å
253	R	93.7	Very high	92.6	Very high	146 Å²	146	29.8 Å²	29.8	55%	0.551	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	36	-172.7	-57.6	-175.9	175.1	-172.5	-3.8	113	D76 R79 V249 W250	D76-R253 HydrophobicContact CB-CB 3.68Å; D76-R253 WeakPolarHBondContact CB-O 3.28Å; D76-R253 PolarHBondContact N-O 3.2Å; D76-R253 VanDerWaalsContact N-O 3.09Å; D76-R253 VanDerWaalsContact OD2-CD 3.29Å; D76-R253 WeakPolarHBondContact OD2-CD 3.03Å; D76-R253 IonicContact OD2-NH1 2.94Å; R79-R253 HydrophobicContact CG-CB 4.33Å; V249-R253 VanDerWaalsContact O-CA 3.23Å; V249-R253 WeakPolarHBondContact O-CA 3.37Å; V249-R253 PolarHBondContact O-N 3.29Å; W250-R253 PolarHBondContact O-N 3.07Å
254	Q	94.5	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-107.3	98.7	174.1	-58.7	-57.7	-63	0	0	107.7	N75 D76 L83 V249 F252 V256 C257	N75-Q254 PolarHBondContact ND2-OE1 2.56Å; D76-Q254 PolarHBondContact O-NE2 3.27Å; L83-Q254 HydrophobicContact CD1-CG 4.1Å; V249-Q254 PolarHBondContact O-N 3.35Å; F252-Q254 HydrophobicContact CB-CB 4.47Å; F252-Q254 HydrophobicContact CB-CG 3.98Å; F252-Q254 PolarHBondContact O-N 2.83Å; F252-Q254 PolarHBondContact O-NE2 3.44Å; Q254-V256 VanDerWaalsContact C-N 3.26Å; Q254-V256 PolarHBondContact O-N 2.8Å; Q254-C257 HydrophobicContact CB-CB 3.76Å
255	T	92.4	Very high	91.4	Very high	20 Å²	20	33.5 Å²	33.5	12%	0.123	15%	0.154	C	C	.	.	S	Bend	trans	-55.9	-44.6	174.7	-63.8	0	0	0	0	110.9	I74 N75 V203 G204 L293 M296	I74-T255 HydrophobicContact CG2-CG2 4.01Å; I74-T255 WeakPolarHBondContact O-CB 3.16Å; I74-T255 PolarHBondContact O-OG1 3.29Å; N75-T255 WeakPolarHBondContact OD1-CA 3.28Å; N75-T255 PolarHBondContact OD1-N 3.09Å; V203-T255 CarbonylContact C-O 3.5Å; V203-T255 WeakPolarHBondContact CA-O 3.36Å; G204-T255 PolarHBondContact N-O 2.79Å; T255-L293 HydrophobicContact CG2-CD2 4.4Å; T255-M296 HydrophobicContact CG2-CE 3.42Å; T255-M296 VanDerWaalsContact CG2-CE 3.42Å; T255-M296 HydrophobicContact CG2-SD 3.77Å
256	V	94.3	Very high	90.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.9	173.9	-169.7	0	0	0	0	109.6	I74 N75 A202 V203 Q254 F276 L293	I74-V256 HydrophobicContact CG2-CG2 4.14Å; N75-V256 PolarHBondContact ND2-O 2.88Å; N75-V256 PolarHBondContact OD1-N 3.16Å; A202-V256 WeakPolarHBondContact O-CA 3.48Å; V203-V256 HydrophobicContact CG1-CG2 4.18Å; V203-V256 HydrophobicContact CG2-CG1 4.33Å; Q254-V256 VanDerWaalsContact C-N 3.26Å; Q254-V256 PolarHBondContact O-N 2.8Å; V256-F276 HydrophobicContact CB-CD1 4.06Å; V256-F276 HydrophobicContact CB-CD2 4.05Å; V256-F276 HydrophobicContact CB-CE1 3.67Å; V256-F276 HydrophobicContact CB-CE2 3.75Å; V256-F276 HydrophobicContact CB-CG 4.22Å; V256-F276 HydrophobicContact CB-CZ 3.56Å; V256-F276 HydrophobicContact CG1-CD1 3.69Å; V256-F276 HydrophobicContact CG1-CE1 3.3Å; V256-F276 HydrophobicContact CG1-CE2 4.33Å; V256-F276 HydrophobicContact CG1-CG 4.3Å; V256-F276 HydrophobicContact CG1-CZ 3.73Å; V256-F276 HydrophobicContact CG2-CE1 4.13Å; V256-F276 HydrophobicContact CG2-CE2 3.95Å; V256-F276 HydrophobicContact CG2-CZ 3.63Å; V256-F276 WeakPolarHBondContact O-CA 3.32Å; V256-L293 HydrophobicContact CG2-CD1 4.41Å; V256-L293 HydrophobicContact CG2-CD2 3.81Å
257	C	94.9	Very high	90.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.9	-178.9	63.7	0	0	0	0	111.4	A202 Q254 N274	A202-C257 PolarHBondContact N-O 3.33Å; A202-C257 PolarHBondContact O-N 3.35Å; Q254-C257 HydrophobicContact CB-CB 3.76Å; C257-N274 WeakPolarHBondContact CB-O 3.44Å
258	G	94.8	Very high	90	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.1	170.2	0	0	0	0	0	110.5	V200 N274 G275	V200-G258 CarbonylContact O-C 3.55Å; V200-G258 WeakPolarHBondContact O-CA 3.36Å; G258-N274 PolarHBondContact N-O 2.94Å; G258-N274 VanDerWaalsContact N-O 3.17Å; G258-N274 CarbonylContact O-C 3.55Å; G258-N274 VanDerWaalsContact O-CA 3.32Å; G258-N274 WeakPolarHBondContact O-CA 3.33Å; G258-N274 VanDerWaalsContact O-CB 3.31Å; G258-N274 WeakPolarHBondContact O-CB 3.34Å; G258-N274 PolarHBondContact O-N 3.1Å; G258-G275 PolarHBondContact N-O 3.09Å
259	F	96.3	Very high	89.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153	176.9	61.5	-90.5	0	0	0	110.6	V200 I244 A245 I248 L261 V270 D272 V273	V200-F259 HydrophobicContact CB-CD1 4.08Å; V200-F259 HydrophobicContact CB-CD2 4.01Å; V200-F259 HydrophobicContact CB-CE1 3.66Å; V200-F259 HydrophobicContact CB-CE2 3.58Å; V200-F259 HydrophobicContact CB-CG 4.25Å; V200-F259 HydrophobicContact CB-CZ 3.39Å; V200-F259 HydrophobicContact CG1-CD1 4.34Å; V200-F259 HydrophobicContact CG1-CE1 3.5Å; V200-F259 HydrophobicContact CG1-CE2 4.05Å; V200-F259 HydrophobicContact CG1-CZ 3.33Å; V200-F259 HydrophobicContact CG2-CD2 4.26Å; V200-F259 HydrophobicContact CG2-CE2 3.66Å; V200-F259 HydrophobicContact CG2-CZ 3.85Å; V200-F259 PolarHBondContact N-O 3.06Å; V200-F259 PolarHBondContact O-N 3.31Å; I244-F259 HydrophobicContact CG2-CE2 4.32Å; A245-F259 HydrophobicContact CB-CE1 3.75Å; A245-F259 HydrophobicContact CB-CZ 3.53Å; I248-F259 HydrophobicContact CD1-CB 4.14Å; I248-F259 HydrophobicContact CD1-CD1 3.59Å; I248-F259 HydrophobicContact CD1-CD2 3.56Å; I248-F259 HydrophobicContact CD1-CE1 3.73Å; I248-F259 HydrophobicContact CD1-CE2 3.7Å; I248-F259 HydrophobicContact CD1-CG 3.49Å; I248-F259 VanDerWaalsContact CD1-CG 3.49Å; I248-F259 HydrophobicContact CD1-CZ 3.77Å; I248-F259 HydrophobicContact CG2-CD1 4.2Å; F259-L261 HydrophobicContact CE2-CB 4.41Å; F259-L261 HydrophobicContact CE2-CD1 4.38Å; F259-V270 HydrophobicContact CD2-CG1 4.31Å; F259-V270 HydrophobicContact CD2-CG2 4.35Å; F259-V270 HydrophobicContact CE2-CG2 4.49Å; F259-D272 CarbonylContact C-O 3.55Å; F259-D272 WeakPolarHBondContact CA-O 3.47Å; F259-D272 WeakPolarHBondContact CB-O 3.26Å; F259-V273 HydrophobicContact CB-CB 4.46Å; F259-V273 HydrophobicContact CB-CG2 4.13Å
260	D	93.6	Very high	90	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.4	178.6	-73	13	0	0	0	109	K199 R213 C271 D272	K199-D260 WeakPolarHBondContact CD-OD1 3.13Å; K199-D260 WeakPolarHBondContact CG-OD1 3.45Å; R213-D260 IonicContact NH2-OD2 2.8Å; R213-D260 PolarHBondContact NH2-OD2 3.27Å; D260-C271 PolarHBondContact O-N 3.36Å; D260-C271 VanDerWaalsContact O-N 3.14Å; D260-D272 HydrophobicContact CB-CB 4.18Å; D260-D272 PolarHBondContact N-O 3.35Å
261	L	92.7	Very high	89.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.9	-172.9	-174.1	80.2	0	0	0	109.4	V198 V200 L237 E241 F259 F269 V270	V198-L261 HydrophobicContact CB-CB 4.31Å; V198-L261 WeakPolarHBondContact CB-O 3.33Å; V198-L261 PolarHBondContact N-O 3.11Å; V198-L261 VanDerWaalsContact N-O 3.15Å; V198-L261 PolarHBondContact O-N 2.87Å; V200-L261 HydrophobicContact CG2-CB 4.13Å; V200-L261 HydrophobicContact CG2-CD2 4.29Å; L237-L261 HydrophobicContact CD2-CD2 4.04Å; E241-L261 HydrophobicContact CB-CD2 3.92Å; E241-L261 HydrophobicContact CG-CD2 3.7Å; F259-L261 HydrophobicContact CE2-CB 4.41Å; F259-L261 HydrophobicContact CE2-CD1 4.38Å; L261-F269 WeakPolarHBondContact CA-O 3.4Å; L261-V270 HydrophobicContact CD1-CG2 3.97Å
262	L	90	Very high	89.6	Confident	18 Å²	18	34.9 Å²	34.9	9%	0.094	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.6	179	-55.4	-180	0	0	0	109.1	M191 T193 S268 F269 C271	M191-L262 HydrophobicContact CB-CB 4.5Å; M191-L262 HydrophobicContact CB-CD1 4.05Å; M191-L262 HydrophobicContact CG-CD1 4.42Å; T193-L262 HydrophobicContact CG2-CB 3.69Å; T193-L262 HydrophobicContact CG2-CD2 3.87Å; T193-L262 HydrophobicContact CG2-CG 4.26Å; L262-S268 CarbonylContact O-C 3.38Å; L262-S268 WeakPolarHBondContact O-CA 3.31Å; L262-F269 HydrophobicContact CB-CB 4.48Å; L262-F269 PolarHBondContact N-O 3.15Å; L262-F269 PolarHBondContact O-N 3.25Å; L262-C271 HydrophobicContact CD1-CB 3.8Å; L262-C271 HydrophobicContact CG-CB 4.2Å
263	R	82.5	Confident	89.6	Confident	71 Å²	71	35 Å²	35	27%	0.268	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	115.2	174.4	-69.8	175.1	174.8	169.9	-1.3	108.6	T193 I236 E241 R267	T193-R263 WeakPolarHBondContact CA-O 3.47Å; I236-R263 PolarHBondContact O-NH2 3.04Å; E241-R263 WeakPolarHBondContact OE1-CG 2.98Å; E241-R263 IonicContact OE1-CZ 3.97Å; E241-R263 IonicContact OE1-NE 2.79Å; E241-R263 PolarHBondContact OE1-NE 3.08Å; E241-R263 IonicContact OE1-NH2 3.74Å; E241-R263 IonicContact OE2-CZ 2.84Å; E241-R263 IonicContact OE2-NE 3.35Å; E241-R263 PolarHBondContact OE2-NE 2.67Å; E241-R263 IonicContact OE2-NH2 3.18Å; E241-R263 PolarHBondContact OE2-NH2 3.03Å; R263-R267 WeakPolarHBondContact CA-O 3.4Å
264	A	78.1	Confident	89.4	Confident	4 Å²	4	30.3 Å²	30.3	3%	0.033	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	135.4	-180	0	0	0	0	0	110.1	M191 G266 R267 F269	M191-A264 HydrophobicContact CB-CB 4.25Å; M191-A264 HydrophobicContact SD-CB 4.47Å; A264-G266 PolarHBondContact O-N 3.34Å; A264-G266 VanDerWaalsContact O-N 3.15Å; A264-R267 PolarHBondContact N-O 3.39Å; A264-R267 PolarHBondContact O-N 3.18Å; A264-R267 VanDerWaalsContact O-O 3.14Å; A264-F269 HydrophobicContact CB-CE2 4.31Å
265	N	73	Confident	89.1	Confident	147 Å²	147	31.1 Å²	31.1	79%	0.786	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.5	176.1	-58.7	-32.3	0	0	0	114.3	R267	N265-R267 PolarHBondContact O-N 3.36Å
266	G	72.3	Confident	88.9	Confident	86 Å²	86	30.4 Å²	30.4	89%	0.887	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	6.2	-178	0	0	0	0	0	115	A264	A264-G266 PolarHBondContact O-N 3.34Å; A264-G266 VanDerWaalsContact O-N 3.15Å
267	R	84.2	Confident	88.6	Confident	137 Å²	137	31.2 Å²	31.2	52%	0.517	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	163.6	175.8	-60	-174.5	-175.7	-172.5	2	110.6	R263 A264 N265 F269	R263-R267 WeakPolarHBondContact CA-O 3.4Å; A264-R267 PolarHBondContact N-O 3.39Å; A264-R267 PolarHBondContact O-N 3.18Å; A264-R267 VanDerWaalsContact O-O 3.14Å; N265-R267 PolarHBondContact O-N 3.36Å; R267-F269 HydrophobicContact CB-CE2 3.66Å; R267-F269 HydrophobicContact CB-CZ 3.75Å
268	S	89.9	Confident	88.2	Confident	9 Å²	9	32.2 Å²	32.2	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121	-177.3	-49.8	0	0	0	0	109.7	E241 L262	E241-S268 WeakPolarHBondContact CG-OG 3.47Å; E241-S268 PolarHBondContact OE1-OG 2.69Å; L262-S268 CarbonylContact O-C 3.38Å; L262-S268 WeakPolarHBondContact O-CA 3.31Å
269	F	93.6	Very high	87.7	Confident	24 Å²	24	32.2 Å²	32.2	11%	0.105	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.2	-174.2	-57.1	-86.3	0	0	0	110.2	E99 P101 M191 L261 L262 A264 R267	E99-F269 HydrophobicContact CB-CD1 3.94Å; E99-F269 HydrophobicContact CB-CE1 4.24Å; P101-F269 HydrophobicContact CG-CB 4.21Å; M191-F269 HydrophobicContact CG-CD2 4.4Å; M191-F269 HydrophobicContact SD-CD2 4.17Å; M191-F269 HydrophobicContact SD-CE2 4.03Å; M191-F269 HydrophobicContact SD-CZ 4.41Å; L261-F269 WeakPolarHBondContact CA-O 3.4Å; L262-F269 HydrophobicContact CB-CB 4.48Å; L262-F269 PolarHBondContact N-O 3.15Å; L262-F269 PolarHBondContact O-N 3.25Å; A264-F269 HydrophobicContact CB-CE2 4.31Å; R267-F269 HydrophobicContact CB-CE2 3.66Å; R267-F269 HydrophobicContact CB-CZ 3.75Å
270	V	95.3	Very high	87	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.7	173.8	-179.8	0	0	0	0	108.1	L93 I98 E99 L100 I244 I248 F259 L261 V273	L93-V270 HydrophobicContact CD1-CB 4.49Å; L93-V270 HydrophobicContact CD1-CG1 4.03Å; L93-V270 HydrophobicContact CD2-CG1 4.25Å; I98-V270 HydrophobicContact CG2-CB 4.08Å; I98-V270 HydrophobicContact CG2-CG2 3.63Å; E99-V270 PolarHBondContact O-N 3.02Å; L100-V270 WeakPolarHBondContact CD2-O 3.3Å; I244-V270 HydrophobicContact CG2-CG2 3.31Å; I248-V270 HydrophobicContact CD1-CG1 4.08Å; I248-V270 HydrophobicContact CD1-CG2 4.02Å; F259-V270 HydrophobicContact CD2-CG1 4.31Å; F259-V270 HydrophobicContact CD2-CG2 4.35Å; F259-V270 HydrophobicContact CE2-CG2 4.49Å; L261-V270 HydrophobicContact CD1-CG2 3.97Å; V270-V273 HydrophobicContact CG1-CG2 3.86Å
271	C	89.4	Confident	86.1	Confident	14 Å²	14	39.3 Å²	39.3	10%	0.095	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-13	-176.5	70.1	0	0	0	0	114.1	Y90 K138 D260 L262	Y90-C271 PolarHBondContact OH-O 2.95Å; K138-C271 PolarHBondContact NZ-O 2.64Å; K138-C271 VanDerWaalsContact NZ-O 3.09Å; D260-C271 PolarHBondContact O-N 3.36Å; D260-C271 VanDerWaalsContact O-N 3.14Å; L262-C271 HydrophobicContact CD1-CB 3.8Å; L262-C271 HydrophobicContact CG-CB 4.2Å
272	D	91.5	Very high	85.4	Confident	35 Å²	35	39.8 Å²	39.8	19%	0.187	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	138.5	175.4	-171.9	38	0	0	0	110.7	F259 D260 N274	F259-D272 CarbonylContact C-O 3.55Å; F259-D272 WeakPolarHBondContact CA-O 3.47Å; F259-D272 WeakPolarHBondContact CB-O 3.26Å; D260-D272 HydrophobicContact CB-CB 4.18Å; D260-D272 PolarHBondContact N-O 3.35Å; D272-N274 PolarHBondContact OD2-ND2 3.2Å
273	V	94.5	Very high	84.9	Confident	3 Å²	3	42 Å²	42	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.5	175.1	-178.1	0	0	0	0	108.3	L83 V89 L93 I248 F252 F259 V270	L83-V273 HydrophobicContact CD2-CB 4.47Å; L83-V273 HydrophobicContact CD2-CG1 3.97Å; V89-V273 HydrophobicContact CG1-CB 3.99Å; V89-V273 HydrophobicContact CG1-CG2 4.03Å; L93-V273 HydrophobicContact CD1-CG2 4.02Å; L93-V273 HydrophobicContact CD2-CG2 4.17Å; I248-V273 HydrophobicContact CD1-CG2 4.45Å; I248-V273 HydrophobicContact CG2-CG1 3.91Å; F252-V273 HydrophobicContact CD1-CG1 4.45Å; F252-V273 HydrophobicContact CD2-CG1 4.07Å; F252-V273 HydrophobicContact CE1-CG1 4.42Å; F252-V273 HydrophobicContact CE2-CB 4.36Å; F252-V273 HydrophobicContact CE2-CG1 4.06Å; F252-V273 HydrophobicContact CE2-CG2 4.02Å; F252-V273 HydrophobicContact CG-CG1 4.27Å; F252-V273 HydrophobicContact CZ-CB 4.24Å; F252-V273 HydrophobicContact CZ-CG1 4.24Å; F252-V273 HydrophobicContact CZ-CG2 4.13Å; F259-V273 HydrophobicContact CB-CB 4.46Å; F259-V273 HydrophobicContact CB-CG2 4.13Å; V270-V273 HydrophobicContact CG1-CG2 3.86Å
274	N	90.5	Very high	84.6	Confident	49 Å²	49	39.4 Å²	39.4	26%	0.262	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	150.8	178.3	-66.3	-87.6	0	0	0	110.2	C257 G258 D272	C257-N274 WeakPolarHBondContact CB-O 3.44Å; G258-N274 PolarHBondContact N-O 2.94Å; G258-N274 VanDerWaalsContact N-O 3.17Å; G258-N274 CarbonylContact O-C 3.55Å; G258-N274 VanDerWaalsContact O-CA 3.32Å; G258-N274 WeakPolarHBondContact O-CA 3.33Å; G258-N274 VanDerWaalsContact O-CB 3.31Å; G258-N274 WeakPolarHBondContact O-CB 3.34Å; G258-N274 PolarHBondContact O-N 3.1Å; D272-N274 PolarHBondContact OD2-ND2 3.2Å
275	G	86.9	Confident	84.9	Confident	17 Å²	17	39.2 Å²	39.2	18%	0.175	22%	0.223	C	C	.	.	S	Bend	trans	-69.6	-149.8	169.1	0	0	0	0	0	111.8	G258 S277	G258-G275 PolarHBondContact N-O 3.09Å; G275-S277 WeakPolarHBondContact O-CB 3.39Å; G275-S277 PolarHBondContact O-N 3.14Å; G275-S277 PolarHBondContact O-OG 3.13Å
276	F	88.6	Confident	85.6	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.018	19%	0.186	C	C	.	.	S	Bend	trans	-50.8	108.6	-173.8	-145.9	-54.5	0	0	0	112.9	K4 I50 F52 I74 N75 V256 F278	K4-F276 VanDerWaalsContact CE-O 3.32Å; K4-F276 WeakPolarHBondContact CE-O 3.42Å; K4-F276 PolarHBondContact NZ-O 3.01Å; I50-F276 HydrophobicContact CG2-CD2 4.46Å; I50-F276 HydrophobicContact CG2-CE2 3.67Å; I50-F276 HydrophobicContact CG2-CZ 4.19Å; F52-F276 HydrophobicContact CB-CB 3.38Å; F52-F276 HydrophobicContact CB-CD2 4.12Å; F52-F276 HydrophobicContact CB-CG 4.05Å; F52-F276 HydrophobicContact CD1-CB 3.67Å; F52-F276 HydrophobicContact CD1-CD1 4.14Å; F52-F276 AromaticContact CD1-CD2 3.45Å; F52-F276 HydrophobicContact CD1-CD2 3.45Å; F52-F276 VanDerWaalsContact CD1-CD2 3.45Å; F52-F276 HydrophobicContact CD1-CE2 4.12Å; F52-F276 AromaticContact CD1-CG 3.44Å; F52-F276 HydrophobicContact CD1-CG 3.44Å; F52-F276 VanDerWaalsContact CD1-CG 3.44Å; F52-F276 HydrophobicContact CD2-CB 4.37Å; F52-F276 HydrophobicContact CE1-CD1 4.37Å; F52-F276 HydrophobicContact CE1-CD2 4.26Å; F52-F276 HydrophobicContact CE1-CG 4.11Å; F52-F276 HydrophobicContact CG-CB 3.54Å; F52-F276 HydrophobicContact CG-CD2 4.13Å; F52-F276 AromaticContact CG-CG 3.9Å; F52-F276 HydrophobicContact CG-CG 3.9Å; I74-F276 HydrophobicContact CG2-CE2 4.49Å; N75-F276 WeakPolarHBondContact ND2-CD2 3.37Å; V256-F276 HydrophobicContact CB-CD1 4.06Å; V256-F276 HydrophobicContact CB-CD2 4.05Å; V256-F276 HydrophobicContact CB-CE1 3.67Å; V256-F276 HydrophobicContact CB-CE2 3.75Å; V256-F276 HydrophobicContact CB-CG 4.22Å; V256-F276 HydrophobicContact CB-CZ 3.56Å; V256-F276 HydrophobicContact CG1-CD1 3.69Å; V256-F276 HydrophobicContact CG1-CE1 3.3Å; V256-F276 HydrophobicContact CG1-CE2 4.33Å; V256-F276 HydrophobicContact CG1-CG 4.3Å; V256-F276 HydrophobicContact CG1-CZ 3.73Å; V256-F276 HydrophobicContact CG2-CE1 4.13Å; V256-F276 HydrophobicContact CG2-CE2 3.95Å; V256-F276 HydrophobicContact CG2-CZ 3.63Å; V256-F276 WeakPolarHBondContact O-CA 3.32Å; F276-F278 HydrophobicContact CD1-CD2 4.39Å; F276-F278 AromaticContact CD1-CE1 3.82Å; F276-F278 HydrophobicContact CD1-CE1 3.82Å; F276-F278 AromaticContact CD1-CE2 3.6Å; F276-F278 HydrophobicContact CD1-CE2 3.6Å; F276-F278 AromaticContact CD1-CZ 3.26Å; F276-F278 HydrophobicContact CD1-CZ 3.26Å; F276-F278 HydrophobicContact CE1-CD1 4.09Å; F276-F278 AromaticContact CE1-CE1 3.17Å; F276-F278 HydrophobicContact CE1-CE1 3.17Å; F276-F278 AromaticContact CE1-CE2 3.82Å; F276-F278 HydrophobicContact CE1-CE2 3.82Å; F276-F278 AromaticContact CE1-CZ 2.98Å; F276-F278 HydrophobicContact CE1-CZ 2.98Å; F276-F278 HydrophobicContact CG-CZ 4.49Å; F276-F278 HydrophobicContact CZ-CE1 4.15Å; F276-F278 AromaticContact CZ-CZ 3.99Å; F276-F278 HydrophobicContact CZ-CZ 3.99Å
277	S	88.4	Confident	86.1	Confident	19 Å²	19	30 Å²	30	13%	0.133	15%	0.152	C	C	.	.			trans	-134.4	142.6	-171.7	-67.6	0	0	0	0	110.4	G275 Y285	G275-S277 WeakPolarHBondContact O-CB 3.39Å; G275-S277 PolarHBondContact O-N 3.14Å; G275-S277 PolarHBondContact O-OG 3.13Å; S277-Y285 PolarHBondContact O-OH 3.05Å
278	F	86.5	Confident	86.1	Confident	21 Å²	21	23.5 Å²	23.5	9%	0.092	13%	0.127	C	C	.	.			trans	-125.7	151.5	179.6	-49.8	-89.9	0	0	0	111.7	P9 M10 I13 Y201 F276 Y285	P9-F278 HydrophobicContact CB-CB 3.64Å; P9-F278 HydrophobicContact CB-CG 4.03Å; P9-F278 HydrophobicContact CG-CB 4.35Å; M10-F278 HydrophobicContact CB-CZ 4.31Å; M10-F278 HydrophobicContact CG-CZ 4.38Å; M10-F278 HydrophobicContact SD-CE1 3.77Å; M10-F278 HydrophobicContact SD-CE2 4.3Å; M10-F278 HydrophobicContact SD-CZ 3.34Å; M10-F278 WeakPolarHBondContact SD-CZ 3.31Å; I13-F278 HydrophobicContact CD1-CD1 3.4Å; I13-F278 VanDerWaalsContact CD1-CD1 3.4Å; I13-F278 HydrophobicContact CD1-CE1 3.54Å; Y201-F278 VanDerWaalsContact CE1-O 3.22Å; Y201-F278 WeakPolarHBondContact CE1-O 3.28Å; Y201-F278 PolarHBondContact OH-O 2.76Å; F276-F278 HydrophobicContact CD1-CD2 4.39Å; F276-F278 AromaticContact CD1-CE1 3.82Å; F276-F278 HydrophobicContact CD1-CE1 3.82Å; F276-F278 AromaticContact CD1-CE2 3.6Å; F276-F278 HydrophobicContact CD1-CE2 3.6Å; F276-F278 AromaticContact CD1-CZ 3.26Å; F276-F278 HydrophobicContact CD1-CZ 3.26Å; F276-F278 HydrophobicContact CE1-CD1 4.09Å; F276-F278 AromaticContact CE1-CE1 3.17Å; F276-F278 HydrophobicContact CE1-CE1 3.17Å; F276-F278 AromaticContact CE1-CE2 3.82Å; F276-F278 HydrophobicContact CE1-CE2 3.82Å; F276-F278 AromaticContact CE1-CZ 2.98Å; F276-F278 HydrophobicContact CE1-CZ 2.98Å; F276-F278 HydrophobicContact CG-CZ 4.49Å; F276-F278 HydrophobicContact CZ-CE1 4.15Å; F276-F278 AromaticContact CZ-CZ 3.99Å; F276-F278 HydrophobicContact CZ-CZ 3.99Å; F278-Y285 HydrophobicContact CB-CE1 4.15Å; F278-Y285 HydrophobicContact CD1-CE1 4.27Å
279	V	84.5	Confident	86	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.			trans	-65.8	146	161	-177.3	0	0	0	0	108.9	P9 Y201 H209 E211 S282 Y285 Y286	P9-V279 WeakPolarHBondContact CB-O 3.41Å; P9-V279 WeakPolarHBondContact CG-O 3.18Å; Y201-V279 HydrophobicContact CD1-CG2 4.29Å; Y201-V279 HydrophobicContact CD2-CG2 3.55Å; Y201-V279 HydrophobicContact CE2-CG2 3.88Å; Y201-V279 HydrophobicContact CG-CG2 3.75Å; H209-V279 WeakPolarHBondContact CD2-CG2 3.32Å; E211-V279 WeakPolarHBondContact OE1-CG1 3.25Å; V279-S282 VanDerWaalsContact CG1-CB 3.5Å; V279-Y285 HydrophobicContact CB-CD1 3.58Å; V279-Y285 HydrophobicContact CB-CD2 4.33Å; V279-Y285 HydrophobicContact CB-CE1 4.11Å; V279-Y285 HydrophobicContact CB-CG 3.71Å; V279-Y285 HydrophobicContact CG2-CD1 3.72Å; V279-Y285 HydrophobicContact CG2-CD2 3.57Å; V279-Y285 HydrophobicContact CG2-CE1 4.06Å; V279-Y285 HydrophobicContact CG2-CE2 3.89Å; V279-Y285 HydrophobicContact CG2-CG 3.47Å; V279-Y285 VanDerWaalsContact CG2-CG 3.47Å; V279-Y286 VanDerWaalsContact O-CE1 3.28Å; V279-Y286 WeakPolarHBondContact O-CE1 3.41Å; V279-Y286 PolarHBondContact O-OH 2.82Å; V279-Y286 VanDerWaalsContact O-OH 3.09Å
280	K	80.7	Confident	85.8	Confident	120 Å²	120	22 Å²	22	52%	0.522	12%	0.12	S	C	.	.	S	Bend	trans	-96.8	-21.6	-172.9	-70	-174.4	178.6	-178.2	0	114.8	Y286	K280-Y286 WeakPolarHBondContact CA-OH 2.94Å; K280-Y286 PolarHBondContact O-OH 3.09Å
281	T	74.6	Confident	85.4	Confident	47 Å²	47	23.9 Å²	23.9	29%	0.288	13%	0.128	S	C	.	.	S	Bend	trans	-126.9	-25	-168.3	44.5	0	0	0	0	113.2	K229 T283 Y286	K229-T281 HydrophobicContact CD-CG2 3.52Å; T281-T283 PolarHBondContact O-N 3.45Å; T281-T283 VanDerWaalsContact O-N 3.16Å; T281-Y286 PolarHBondContact N-OH 2.86Å
282	S	79	Confident	85.2	Confident	10 Å²	10	24.7 Å²	24.7	7%	0.07	13%	0.131	C	C	.	.			trans	-76.6	104.1	-175.9	-175.2	0	0	0	0	112.5	V279 R284 Y285 Y286	V279-S282 VanDerWaalsContact CG1-CB 3.5Å; S282-R284 PolarHBondContact O-N 3.2Å; S282-Y285 PolarHBondContact O-N 3.06Å; S282-Y285 PolarHBondContact OG-N 3.28Å; S282-Y285 VanDerWaalsContact OG-N 3.1Å; S282-Y286 WeakPolarHBondContact O-CD2 3.47Å; S282-Y286 WeakPolarHBondContact O-CE2 3.29Å; S282-Y286 PolarHBondContact O-N 2.89Å
283	T	80	Confident	85.2	Confident	64 Å²	64	23.4 Å²	23.4	39%	0.393	12%	0.124	S	C	.	.	H	α-helix	trans	-55.3	-38.8	167.8	50.5	0	0	0	0	111.4	T281 Y286 E287	T281-T283 PolarHBondContact O-N 3.45Å; T281-T283 VanDerWaalsContact O-N 3.16Å; T283-Y286 WeakPolarHBondContact O-CA 3.42Å; T283-Y286 WeakPolarHBondContact O-CB 3.06Å; T283-Y286 PolarHBondContact O-N 2.73Å; T283-E287 PolarHBondContact O-N 3.25Å
284	R	74.7	Confident	85	Confident	17 Å²	17	23.2 Å²	23.2	6%	0.064	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-46.2	178.7	-174.5	69.6	-173.5	115.4	28.2	113	S282 Y286 E287 D288 L503 L506	S282-R284 PolarHBondContact O-N 3.2Å; R284-Y286 PolarHBondContact O-N 2.67Å; R284-E287 IonicContact NH1-OE2 3.23Å; R284-E287 PolarHBondContact O-N 2.77Å; R284-D288 IonicContact CZ-OD1 2.85Å; R284-D288 VanDerWaalsContact CZ-OD1 3.25Å; R284-D288 IonicContact CZ-OD2 3.95Å; R284-D288 IonicContact NE-OD2 3.2Å; R284-D288 IonicContact NH1-OD1 3.57Å; R284-D288 PolarHBondContact NH1-OD1 2.91Å; R284-D288 VanDerWaalsContact NH1-OD1 3.09Å; R284-D288 IonicContact NH1-OD2 3.08Å; R284-D288 IonicContact NH2-OD1 3.12Å; R284-D288 PolarHBondContact NH2-OD1 3.48Å; R284-D288 IonicContact NH2-OD2 2.83Å; R284-D288 PolarHBondContact NH2-OD2 3.13Å; R284-D288 PolarHBondContact O-N 2.62Å; R284-L503 VanDerWaalsContact CZ-C 3.47Å; R284-L503 VanDerWaalsContact NH1-CA 3.26Å; R284-L503 VanDerWaalsContact NH1-CB 3.31Å; R284-L503 PolarHBondContact NH1-O 2.78Å; R284-L503 VanDerWaalsContact NH1-O 3.09Å; R284-L503 PolarHBondContact NH2-O 2.67Å; R284-L506 HydrophobicContact CG-CD2 4.24Å
285	Y	84.4	Confident	84.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.8	-38.8	173	173.5	-97.4	0	0	0	111	I13 V203 Y207 H209 S277 F278 V279 S282 S289	I13-Y285 HydrophobicContact CD1-CE1 4.3Å; V203-Y285 HydrophobicContact CG2-CE2 3.91Å; Y207-Y285 HydrophobicContact CE1-CD2 4.01Å; Y207-Y285 HydrophobicContact CE1-CE2 4.14Å; H209-Y285 HydrophobicContact CB-CD2 3.67Å; H209-Y285 HydrophobicContact CB-CE2 4.17Å; S277-Y285 PolarHBondContact O-OH 3.05Å; F278-Y285 HydrophobicContact CB-CE1 4.15Å; F278-Y285 HydrophobicContact CD1-CE1 4.27Å; V279-Y285 HydrophobicContact CB-CD1 3.58Å; V279-Y285 HydrophobicContact CB-CD2 4.33Å; V279-Y285 HydrophobicContact CB-CE1 4.11Å; V279-Y285 HydrophobicContact CB-CG 3.71Å; V279-Y285 HydrophobicContact CG2-CD1 3.72Å; V279-Y285 HydrophobicContact CG2-CD2 3.57Å; V279-Y285 HydrophobicContact CG2-CE1 4.06Å; V279-Y285 HydrophobicContact CG2-CE2 3.89Å; V279-Y285 HydrophobicContact CG2-CG 3.47Å; V279-Y285 VanDerWaalsContact CG2-CG 3.47Å; S282-Y285 PolarHBondContact O-N 3.06Å; S282-Y285 PolarHBondContact OG-N 3.28Å; S282-Y285 VanDerWaalsContact OG-N 3.1Å; Y285-S289 WeakPolarHBondContact CE1-OG 3.43Å; Y285-S289 WeakPolarHBondContact O-CB 3.49Å; Y285-S289 PolarHBondContact O-N 3.03Å; Y285-S289 PolarHBondContact O-OG 2.89Å
286	Y	87.9	Confident	84.7	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-67.3	-42.7	179.8	-50.6	-35	0	0	0	112.8	P9 E12 I13 V279 K280 T281 S282 T283 R284 S289 A290	P9-Y286 HydrophobicContact CB-CD1 4.48Å; P9-Y286 HydrophobicContact CB-CE1 3.63Å; P9-Y286 HydrophobicContact CG-CE1 4.31Å; E12-Y286 HydrophobicContact CB-CD2 3.44Å; E12-Y286 VanDerWaalsContact CB-CD2 3.44Å; E12-Y286 HydrophobicContact CB-CE2 3.97Å; E12-Y286 HydrophobicContact CB-CG 3.81Å; E12-Y286 HydrophobicContact CG-CD2 3.88Å; E12-Y286 HydrophobicContact CG-CE2 3.99Å; I13-Y286 HydrophobicContact CD1-CD1 4.03Å; I13-Y286 HydrophobicContact CG1-CD1 3.84Å; I13-Y286 HydrophobicContact CG1-CG 4.18Å; V279-Y286 VanDerWaalsContact O-CE1 3.28Å; V279-Y286 WeakPolarHBondContact O-CE1 3.41Å; V279-Y286 PolarHBondContact O-OH 2.82Å; V279-Y286 VanDerWaalsContact O-OH 3.09Å; K280-Y286 WeakPolarHBondContact CA-OH 2.94Å; K280-Y286 PolarHBondContact O-OH 3.09Å; T281-Y286 PolarHBondContact N-OH 2.86Å; S282-Y286 WeakPolarHBondContact O-CD2 3.47Å; S282-Y286 WeakPolarHBondContact O-CE2 3.29Å; S282-Y286 PolarHBondContact O-N 2.89Å; T283-Y286 WeakPolarHBondContact O-CA 3.42Å; T283-Y286 WeakPolarHBondContact O-CB 3.06Å; T283-Y286 PolarHBondContact O-N 2.73Å; R284-Y286 PolarHBondContact O-N 2.67Å; Y286-S289 PolarHBondContact O-N 2.85Å; Y286-A290 VanDerWaalsContact O-CB 3.26Å; Y286-A290 WeakPolarHBondContact O-CB 3.5Å; Y286-A290 PolarHBondContact O-N 3.14Å
287	E	83.8	Confident	84.9	Confident	37 Å²	37	24.7 Å²	24.7	17%	0.173	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-48.5	176.8	-67.3	168.8	163	0	0	111.8	T283 R284 A290 K291 L503	T283-E287 PolarHBondContact O-N 3.25Å; R284-E287 IonicContact NH1-OE2 3.23Å; R284-E287 PolarHBondContact O-N 2.77Å; E287-A290 PolarHBondContact O-N 2.69Å; E287-K291 WeakPolarHBondContact O-CG 3.4Å; E287-K291 PolarHBondContact O-N 3.24Å; E287-L503 WeakPolarHBondContact OE2-CD2 3.35Å
288	D	83.2	Confident	84.9	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-44.3	178.3	-75.1	-19.6	0	0	0	110.6	Y207 R284 A290 K291 I292	Y207-D288 HydrophobicContact CE1-CB 4.45Å; Y207-D288 HydrophobicContact CE2-CB 3.69Å; Y207-D288 WeakPolarHBondContact CE2-OD2 3.42Å; Y207-D288 WeakPolarHBondContact OH-CB 3.38Å; Y207-D288 PolarHBondContact OH-OD2 2.82Å; R284-D288 IonicContact CZ-OD1 2.85Å; R284-D288 VanDerWaalsContact CZ-OD1 3.25Å; R284-D288 IonicContact CZ-OD2 3.95Å; R284-D288 IonicContact NE-OD2 3.2Å; R284-D288 IonicContact NH1-OD1 3.57Å; R284-D288 PolarHBondContact NH1-OD1 2.91Å; R284-D288 VanDerWaalsContact NH1-OD1 3.09Å; R284-D288 IonicContact NH1-OD2 3.08Å; R284-D288 IonicContact NH2-OD1 3.12Å; R284-D288 PolarHBondContact NH2-OD1 3.48Å; R284-D288 IonicContact NH2-OD2 2.83Å; R284-D288 PolarHBondContact NH2-OD2 3.13Å; R284-D288 PolarHBondContact O-N 2.62Å; D288-A290 PolarHBondContact O-N 3.29Å; D288-K291 PolarHBondContact O-N 3.23Å; D288-I292 HydrophobicContact CB-CD1 4.47Å; D288-I292 WeakPolarHBondContact O-CB 3.13Å; D288-I292 WeakPolarHBondContact O-CD1 3.13Å; D288-I292 WeakPolarHBondContact O-CG1 3.17Å; D288-I292 PolarHBondContact O-N 3.44Å
289	S	88.8	Confident	84.8	Confident	2 Å²	2	27 Å²	27	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-46.2	177.6	-59.8	0	0	0	0	111.9	Y285 Y286 I292 L293	Y285-S289 WeakPolarHBondContact CE1-OG 3.43Å; Y285-S289 WeakPolarHBondContact O-CB 3.49Å; Y285-S289 PolarHBondContact O-N 3.03Å; Y285-S289 PolarHBondContact O-OG 2.89Å; Y286-S289 PolarHBondContact O-N 2.85Å; S289-I292 PolarHBondContact O-N 3.25Å; S289-L293 WeakPolarHBondContact O-CB 3.36Å; S289-L293 VanDerWaalsContact O-CG 3.25Å; S289-L293 WeakPolarHBondContact O-CG 3.47Å; S289-L293 PolarHBondContact O-N 3.06Å
290	A	89.8	Confident	84.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-44.6	179.8	0	0	0	0	0	111.9	I13 R16 M17 Y20 Y286 E287 D288 G294	I13-A290 HydrophobicContact CG2-CB 4.28Å; R16-A290 HydrophobicContact CB-CB 3.74Å; M17-A290 HydrophobicContact CB-CB 4.2Å; Y20-A290 HydrophobicContact CD2-CB 4.27Å; Y20-A290 HydrophobicContact CE2-CB 4.19Å; Y286-A290 VanDerWaalsContact O-CB 3.26Å; Y286-A290 WeakPolarHBondContact O-CB 3.5Å; Y286-A290 PolarHBondContact O-N 3.14Å; E287-A290 PolarHBondContact O-N 2.69Å; D288-A290 PolarHBondContact O-N 3.29Å; A290-G294 PolarHBondContact O-N 2.6Å
291	K	85.8	Confident	85.4	Confident	39 Å²	39	28.8 Å²	28.8	17%	0.17	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-44.1	176.8	-71.6	177.9	-178.8	-179.9	0	112.1	Y20 Y21 E287 D288 N295	Y20-K291 HydrophobicContact CD2-CG 3.66Å; Y20-K291 HydrophobicContact CE2-CD 4.23Å; Y20-K291 HydrophobicContact CE2-CG 3.58Å; Y21-K291 PolarHBondContact OH-O 2.73Å; E287-K291 WeakPolarHBondContact O-CG 3.4Å; E287-K291 PolarHBondContact O-N 3.24Å; D288-K291 PolarHBondContact O-N 3.23Å; K291-N295 VanDerWaalsContact O-CB 3.25Å; K291-N295 WeakPolarHBondContact O-CB 3.26Å; K291-N295 VanDerWaalsContact O-CG 3.23Å; K291-N295 PolarHBondContact O-N 3.42Å; K291-N295 PolarHBondContact O-ND2 2.93Å
292	I	86.2	Confident	86.1	Confident	32 Å²	32	26.7 Å²	26.7	16%	0.164	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-50.1	-179.8	-68	162.7	0	0	0	109.9	V203 Y207 D288 S289 N295 M296	V203-I292 HydrophobicContact CG1-CB 4.15Å; V203-I292 HydrophobicContact CG1-CG2 3.91Å; Y207-I292 VanDerWaalsContact CB-CD1 3.49Å; Y207-I292 HydrophobicContact CD1-CD1 3.9Å; Y207-I292 HydrophobicContact CD2-CD1 3.72Å; Y207-I292 HydrophobicContact CE2-CD1 4.37Å; Y207-I292 HydrophobicContact CG-CD1 3.43Å; Y207-I292 VanDerWaalsContact CG-CD1 3.43Å; D288-I292 HydrophobicContact CB-CD1 4.47Å; D288-I292 WeakPolarHBondContact O-CB 3.13Å; D288-I292 WeakPolarHBondContact O-CD1 3.13Å; D288-I292 WeakPolarHBondContact O-CG1 3.17Å; D288-I292 PolarHBondContact O-N 3.44Å; S289-I292 PolarHBondContact O-N 3.25Å; I292-N295 PolarHBondContact O-N 2.96Å; I292-M296 HydrophobicContact CG2-CG 4.38Å; I292-M296 HydrophobicContact CG2-SD 3.94Å; I292-M296 WeakPolarHBondContact O-CB 3Å; I292-M296 VanDerWaalsContact O-CG 3.27Å; I292-M296 WeakPolarHBondContact O-CG 3.25Å; I292-M296 PolarHBondContact O-N 2.73Å
293	L	90.8	Very high	86.4	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-48.5	-179.3	-70	173.4	0	0	0	112	I13 M17 I74 V203 T255 V256 S289 N295 M296 I297	I13-L293 HydrophobicContact CG2-CD1 4.35Å; M17-L293 HydrophobicContact SD-CB 4.3Å; I74-L293 HydrophobicContact CD1-CD2 4.42Å; I74-L293 HydrophobicContact CG2-CD2 3.99Å; V203-L293 HydrophobicContact CG1-CD2 4.09Å; V203-L293 HydrophobicContact CG1-CG 3.95Å; T255-L293 HydrophobicContact CG2-CD2 4.4Å; V256-L293 HydrophobicContact CG2-CD1 4.41Å; V256-L293 HydrophobicContact CG2-CD2 3.81Å; S289-L293 WeakPolarHBondContact O-CB 3.36Å; S289-L293 VanDerWaalsContact O-CG 3.25Å; S289-L293 WeakPolarHBondContact O-CG 3.47Å; S289-L293 PolarHBondContact O-N 3.06Å; L293-N295 VanDerWaalsContact C-N 3.32Å; L293-N295 PolarHBondContact O-N 2.69Å; L293-M296 PolarHBondContact O-N 3.11Å; L293-M296 VanDerWaalsContact O-N 3.14Å; L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.43Å; L293-I297 PolarHBondContact O-N 3.27Å
294	G	89.6	Confident	86.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-42.9	178.2	0	0	0	0	0	112.5	A290 I297 L298	A290-G294 PolarHBondContact O-N 2.6Å; G294-I297 PolarHBondContact O-N 3.01Å; G294-L298 WeakPolarHBondContact O-CB 3.32Å; G294-L298 WeakPolarHBondContact O-CG 3.01Å; G294-L298 PolarHBondContact O-N 2.99Å
295	N	85	Confident	87.4	Confident	50 Å²	50	34.9 Å²	34.9	27%	0.267	18%	0.175	S	C	.	.	H	α-helix	trans	-65	-40.2	174.5	-76.5	-24.5	0	0	0	112.8	Y21 K291 I292 L293 I297 R299	Y21-N295 PolarHBondContact OH-ND2 3.3Å; Y21-N295 PolarHBondContact OH-OD1 2.86Å; K291-N295 VanDerWaalsContact O-CB 3.25Å; K291-N295 WeakPolarHBondContact O-CB 3.26Å; K291-N295 VanDerWaalsContact O-CG 3.23Å; K291-N295 PolarHBondContact O-N 3.42Å; K291-N295 PolarHBondContact O-ND2 2.93Å; I292-N295 PolarHBondContact O-N 2.96Å; L293-N295 VanDerWaalsContact C-N 3.32Å; L293-N295 PolarHBondContact O-N 2.69Å; N295-I297 VanDerWaalsContact C-N 3.35Å; N295-R299 WeakPolarHBondContact O-CB 3.07Å; N295-R299 PolarHBondContact O-N 2.85Å
296	M	87	Confident	87.5	Confident	42 Å²	42	42.9 Å²	42.9	21%	0.207	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-44.5	176.8	-75.6	-179.8	64.4	0	0	111.4	T255 I292 L293 Y300	T255-M296 HydrophobicContact CG2-CE 3.42Å; T255-M296 VanDerWaalsContact CG2-CE 3.42Å; T255-M296 HydrophobicContact CG2-SD 3.77Å; I292-M296 HydrophobicContact CG2-CG 4.38Å; I292-M296 HydrophobicContact CG2-SD 3.94Å; I292-M296 WeakPolarHBondContact O-CB 3Å; I292-M296 VanDerWaalsContact O-CG 3.27Å; I292-M296 WeakPolarHBondContact O-CG 3.25Å; I292-M296 PolarHBondContact O-N 2.73Å; L293-M296 PolarHBondContact O-N 3.11Å; L293-M296 VanDerWaalsContact O-N 3.14Å; M296-Y300 PolarHBondContact O-N 2.79Å
297	I	91.7	Very high	87.3	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-55.7	179.1	-65	168.4	0	0	0	110.4	M17 L25 C48 Y72 I74 L293 G294 N295 R299 Y300 L301	M17-I297 HydrophobicContact SD-CD1 4.37Å; L25-I297 HydrophobicContact CD2-CG2 3.84Å; C48-I297 HydrophobicContact CB-CG2 3.98Å; Y72-I297 HydrophobicContact CD1-CG1 4.45Å; Y72-I297 HydrophobicContact CE1-CG1 4.34Å; I74-I297 HydrophobicContact CD1-CD1 4.4Å; I74-I297 HydrophobicContact CD1-CG1 3.92Å; L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.43Å; L293-I297 PolarHBondContact O-N 3.27Å; G294-I297 PolarHBondContact O-N 3.01Å; N295-I297 VanDerWaalsContact C-N 3.35Å; I297-R299 VanDerWaalsContact C-N 3.28Å; I297-R299 PolarHBondContact O-N 3.14Å; I297-Y300 PolarHBondContact O-N 2.93Å; I297-Y300 VanDerWaalsContact O-N 3.15Å; I297-L301 HydrophobicContact CG2-CD1 3.87Å; I297-L301 WeakPolarHBondContact O-CB 3.36Å; I297-L301 PolarHBondContact O-N 3Å
298	L	89.1	Confident	87.2	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-35.5	-178.2	-70.8	171.1	0	0	0	111.6	Y21 K24 L25 G294 Y300 A302 W309	Y21-L298 HydrophobicContact CD1-CD1 3.39Å; Y21-L298 HydrophobicContact CE1-CD1 3.92Å; Y21-L298 HydrophobicContact CG-CD1 4.03Å; K24-L298 HydrophobicContact CB-CD1 4.48Å; K24-L298 HydrophobicContact CB-CD2 3.88Å; K24-L298 HydrophobicContact CD-CD1 4.17Å; K24-L298 HydrophobicContact CD-CD2 4.28Å; L25-L298 HydrophobicContact CD1-CD1 4.44Å; L25-L298 HydrophobicContact CD1-CG 4.29Å; L25-L298 HydrophobicContact CD2-CD2 3.68Å; L25-L298 HydrophobicContact CD2-CG 4.07Å; L25-L298 HydrophobicContact CG-CD1 4.45Å; L25-L298 HydrophobicContact CG-CD2 4.08Å; L25-L298 HydrophobicContact CG-CG 4.22Å; G294-L298 WeakPolarHBondContact O-CB 3.32Å; G294-L298 WeakPolarHBondContact O-CG 3.01Å; G294-L298 PolarHBondContact O-N 2.99Å; L298-Y300 VanDerWaalsContact C-N 3.3Å; L298-Y300 PolarHBondContact O-N 2.77Å; L298-A302 WeakPolarHBondContact O-CA 3.39Å; L298-A302 WeakPolarHBondContact O-CB 3.22Å; L298-A302 PolarHBondContact O-N 2.88Å; L298-W309 HydrophobicContact CB-CD2 3.95Å; L298-W309 HydrophobicContact CB-CE3 4.47Å; L298-W309 HydrophobicContact CB-CG 4.19Å; L298-W309 HydrophobicContact CB-CZ2 4.18Å; L298-W309 HydrophobicContact CD1-CG 4.39Å
299	R	83.8	Confident	86.6	Confident	88 Å²	88	51.1 Å²	51.1	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-37.9	176.4	-174.3	175.1	-169.1	-167.7	8.5	112.6	N295 I297 W309 K771 D772	N295-R299 WeakPolarHBondContact O-CB 3.07Å; N295-R299 PolarHBondContact O-N 2.85Å; I297-R299 VanDerWaalsContact C-N 3.28Å; I297-R299 PolarHBondContact O-N 3.14Å; R299-W309 HydrophobicContact CB-CH2 4.05Å; R299-W309 HydrophobicContact CB-CZ3 4.13Å; R299-K771 PolarHBondContact NH2-O 3.31Å; R299-D772 VanDerWaalsContact CD-OD1 3.25Å; R299-D772 WeakPolarHBondContact CD-OD1 3.34Å; R299-D772 IonicContact CZ-OD1 3.33Å; R299-D772 IonicContact NE-OD1 3.5Å; R299-D772 PolarHBondContact NE-OD1 3.09Å; R299-D772 IonicContact NH1-OD1 3.71Å; R299-D772 PolarHBondContact NH1-OD1 3.39Å; R299-D772 IonicContact NH1-OD2 3.31Å; R299-D772 PolarHBondContact NH1-OD2 3.3Å
300	Y	87.5	Confident	85.5	Confident	137 Å²	137	57.3 Å²	57.3	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-77.8	-43.2	179.9	-170.9	-91.1	0	0	0	111.8	Y72 M296 I297 L298	Y72-Y300 HydrophobicContact CD1-CD1 4.25Å; Y72-Y300 HydrophobicContact CD1-CG 4.37Å; Y72-Y300 AromaticContact CD2-CD1 3.41Å; Y72-Y300 HydrophobicContact CD2-CD1 3.41Å; Y72-Y300 VanDerWaalsContact CD2-CD1 3.41Å; Y72-Y300 AromaticContact CD2-CD2 3.9Å; Y72-Y300 HydrophobicContact CD2-CD2 3.9Å; Y72-Y300 AromaticContact CD2-CE1 3.58Å; Y72-Y300 HydrophobicContact CD2-CE1 3.58Å; Y72-Y300 HydrophobicContact CD2-CE2 4.05Å; Y72-Y300 AromaticContact CD2-CG 3.58Å; Y72-Y300 HydrophobicContact CD2-CG 3.58Å; Y72-Y300 AromaticContact CD2-CZ 3.9Å; Y72-Y300 HydrophobicContact CE2-CD1 4.1Å; Y72-Y300 AromaticContact CE2-CD2 3.8Å; Y72-Y300 HydrophobicContact CE2-CD2 3.8Å; Y72-Y300 HydrophobicContact CE2-CE1 4.44Å; Y72-Y300 HydrophobicContact CE2-CE2 4.16Å; Y72-Y300 AromaticContact CE2-CG 3.76Å; Y72-Y300 HydrophobicContact CE2-CG 3.76Å; Y72-Y300 AromaticContact CG-CD1 3.51Å; Y72-Y300 HydrophobicContact CG-CD1 3.51Å; Y72-Y300 AromaticContact CG-CE1 3.95Å; Y72-Y300 HydrophobicContact CG-CE1 3.95Å; Y72-Y300 AromaticContact CG-CG 3.92Å; Y72-Y300 HydrophobicContact CG-CG 3.92Å; M296-Y300 PolarHBondContact O-N 2.79Å; I297-Y300 PolarHBondContact O-N 2.93Å; I297-Y300 VanDerWaalsContact O-N 3.15Å; L298-Y300 VanDerWaalsContact C-N 3.3Å; L298-Y300 PolarHBondContact O-N 2.77Å
301	L	91.8	Very high	84.1	Confident	21 Å²	21	62 Å²	62	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-95.9	-31.9	-169.8	-67.3	175.8	0	0	0	114.6	D47 C48 I297 T304 L305	D47-L301 HydrophobicContact CB-CD1 3.73Å; D47-L301 HydrophobicContact CB-CD2 4.4Å; C48-L301 HydrophobicContact CB-CD1 3.93Å; I297-L301 HydrophobicContact CG2-CD1 3.87Å; I297-L301 WeakPolarHBondContact O-CB 3.36Å; I297-L301 PolarHBondContact O-N 3Å; L301-T304 PolarHBondContact O-N 2.85Å; L301-T304 VanDerWaalsContact O-N 3.15Å; L301-L305 HydrophobicContact CB-CD1 3.99Å; L301-L305 HydrophobicContact CB-CG 4.45Å; L301-L305 WeakPolarHBondContact O-CB 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.35Å; L301-L305 PolarHBondContact O-N 2.86Å
302	A	87.5	Confident	82.7	Confident	3 Å²	3	63 Å²	63	3%	0.025	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-41.1	-173.8	0	0	0	0	0	113.9	L298 H306 I307 W309	L298-A302 WeakPolarHBondContact O-CA 3.39Å; L298-A302 WeakPolarHBondContact O-CB 3.22Å; L298-A302 PolarHBondContact O-N 2.88Å; A302-H306 CarbonylContact O-C 3.59Å; A302-H306 WeakPolarHBondContact O-CA 3.31Å; A302-H306 PolarHBondContact O-N 2.72Å; A302-I307 HydrophobicContact CB-CB 3.93Å; A302-I307 PolarHBondContact O-N 2.82Å; A302-W309 HydrophobicContact CB-CB 3.82Å; A302-W309 HydrophobicContact CB-CE3 4.34Å; A302-W309 HydrophobicContact CB-CG 4.44Å
303	P	85.2	Confident	81	Confident	92 Å²	92	69.4 Å²	69.4	60%	0.597	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-44	175.7	-22.4	34.4	0	0	0	112.5	H306	P303-H306 PolarHBondContact O-N 2.94Å
304	T	87.3	Confident	79.1	Confident	100 Å²	100	71.3 Å²	71.3	61%	0.613	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-37.9	-177.5	-49.9	0	0	0	0	112	L301 H306	L301-T304 PolarHBondContact O-N 2.85Å; L301-T304 VanDerWaalsContact O-N 3.15Å; T304-H306 VanDerWaalsContact C-N 3.34Å; T304-H306 PolarHBondContact O-ND1 3.36Å
305	L	89.1	Confident	77.1	Confident	70 Å²	70	75 Å²	75	37%	0.366	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.1	-179.8	-60.5	-178.8	0	0	0	113.1	D47 L301 I307	D47-L305 HydrophobicContact CB-CD1 4.04Å; L301-L305 HydrophobicContact CB-CD1 3.99Å; L301-L305 HydrophobicContact CB-CG 4.45Å; L301-L305 WeakPolarHBondContact O-CB 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.35Å; L301-L305 PolarHBondContact O-N 2.86Å; L305-I307 HydrophobicContact CB-CD1 3.91Å; L305-I307 HydrophobicContact CB-CG1 3.86Å; L305-I307 HydrophobicContact CD1-CD1 4.13Å; L305-I307 PolarHBondContact O-N 2.76Å; L305-I307 VanDerWaalsContact O-N 3.13Å
306	H	86.7	Confident	75.5	Confident	168 Å²	168	73 Å²	73	78%	0.778	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	32.1	-178.6	-55.6	79.6	0	0	0	113.7	A302 P303 T304 P308	A302-H306 CarbonylContact O-C 3.59Å; A302-H306 WeakPolarHBondContact O-CA 3.31Å; A302-H306 PolarHBondContact O-N 2.72Å; P303-H306 PolarHBondContact O-N 2.94Å; T304-H306 VanDerWaalsContact C-N 3.34Å; T304-H306 PolarHBondContact O-ND1 3.36Å; H306-P308 WeakPolarHBondContact O-CD 3.27Å
307	I	84.6	Confident	73.9	Confident	45 Å²	45	71.5 Å²	71.5	23%	0.231	36%	0.363	C	S	.	.			trans	-75.5	124.5	178.2	-59.3	170.1	0	0	0	107.4	K24 A302 L305 W309	K24-I307 HydrophobicContact CB-CG2 4.37Å; K24-I307 HydrophobicContact CD-CG2 4.11Å; K24-I307 HydrophobicContact CG-CG2 4.17Å; A302-I307 HydrophobicContact CB-CB 3.93Å; A302-I307 PolarHBondContact O-N 2.82Å; L305-I307 HydrophobicContact CB-CD1 3.91Å; L305-I307 HydrophobicContact CB-CG1 3.86Å; L305-I307 HydrophobicContact CD1-CD1 4.13Å; L305-I307 PolarHBondContact O-N 2.76Å; L305-I307 VanDerWaalsContact O-N 3.13Å; I307-W309 HydrophobicContact CG2-CB 4.44Å; I307-W309 PolarHBondContact O-N 3.45Å
308	P	80	Confident	72.1	Confident	122 Å²	122	71.6 Å²	71.6	79%	0.792	36%	0.364	S	S	*	.			trans	-68.8	86.3	176.6	28.5	-33.7	0	0	0	109.5	H306	H306-P308 WeakPolarHBondContact O-CD 3.27Å
309	W	71.2	Confident	70.3	Confident	47 Å²	47	72.6 Å²	72.6	18%	0.178	37%	0.37	C	S	.	.			trans	-123.7	108.2	179.7	178.5	78.1	0	0	0	109	K24 L298 R299 A302 I307 R311	K24-W309 HydrophobicContact CD-CB 4.27Å; K24-W309 HydrophobicContact CD-CG 4.38Å; L298-W309 HydrophobicContact CB-CD2 3.95Å; L298-W309 HydrophobicContact CB-CE3 4.47Å; L298-W309 HydrophobicContact CB-CG 4.19Å; L298-W309 HydrophobicContact CB-CZ2 4.18Å; L298-W309 HydrophobicContact CD1-CG 4.39Å; R299-W309 HydrophobicContact CB-CH2 4.05Å; R299-W309 HydrophobicContact CB-CZ3 4.13Å; A302-W309 HydrophobicContact CB-CB 3.82Å; A302-W309 HydrophobicContact CB-CE3 4.34Å; A302-W309 HydrophobicContact CB-CG 4.44Å; I307-W309 HydrophobicContact CG2-CB 4.44Å; I307-W309 PolarHBondContact O-N 3.45Å; W309-R311 HydrophobicContact CH2-CB 4.11Å; W309-R311 HydrophobicContact CH2-CG 4.3Å; W309-R311 HydrophobicContact CZ2-CB 4.44Å; W309-R311 HydrophobicContact CZ3-CB 4.43Å
310	V	66.1	Low	68.9	Low	132 Å²	132	73.5 Å²	73.5	80%	0.8	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-87.1	131.8	162.8	-175.6	0	0	0	0	106.6	P312	V310-P312 WeakPolarHBondContact O-CD 3.05Å; V310-P312 VanDerWaalsContact O-N 3.1Å
311	R	59.3	Low	67.5	Low	98 Å²	98	67 Å²	67	37%	0.37	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-47.3	122	172.7	-177	-166.1	-66.9	-170.9	-0.1	108.1	W309 F313 K771 D772	W309-R311 HydrophobicContact CH2-CB 4.11Å; W309-R311 HydrophobicContact CH2-CG 4.3Å; W309-R311 HydrophobicContact CZ2-CB 4.44Å; W309-R311 HydrophobicContact CZ3-CB 4.43Å; R311-F313 PolarHBondContact O-N 2.92Å; R311-K771 PolarHBondContact NH2-O 2.82Å; R311-D772 VanDerWaalsContact NH1-C 3.28Å; R311-D772 PolarHBondContact NH1-O 2.91Å
312	P	57.1	Low	65.8	Low	59 Å²	59	67.9 Å²	67.9	38%	0.383	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-54	135.5	174	-20.8	29.2	0	0	0	108.5	V310 Q314	V310-P312 WeakPolarHBondContact O-CD 3.05Å; V310-P312 VanDerWaalsContact O-N 3.1Å; P312-Q314 PolarHBondContact O-N 2.81Å; P312-Q314 VanDerWaalsContact O-N 3.09Å
313	F	50.9	Low	64.6	Low	168 Å²	168	67.8 Å²	67.8	74%	0.737	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-49.3	125.8	168	-173.2	-96.1	0	0	0	107.1	R311 L315	R311-F313 PolarHBondContact O-N 2.92Å; F313-L315 PolarHBondContact O-N 2.79Å
314	Q	50.6	Low	63.3	Low	46 Å²	46	65.2 Å²	65.2	22%	0.215	35%	0.348	C	S	.	.			trans	-71.2	89.9	-173.4	-155.6	163.5	11.7	0	0	106.3	P312 D316 D317 D772	P312-Q314 PolarHBondContact O-N 2.81Å; P312-Q314 VanDerWaalsContact O-N 3.09Å; Q314-D316 PolarHBondContact O-N 2.87Å; Q314-D317 PolarHBondContact O-N 3.15Å; Q314-D772 PolarHBondContact OE1-O 3.27Å
315	L	48	Very low	61.9	Low	79 Å²	79	65.6 Å²	65.6	41%	0.414	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-15.8	-175.4	-99.9	149.6	0	0	0	113.8	F313 F498 F499	F313-L315 PolarHBondContact O-N 2.79Å; L315-F498 HydrophobicContact CD1-CD1 4.43Å; L315-F498 HydrophobicContact CD2-CB 3.7Å; L315-F498 HydrophobicContact CD2-CD1 3.33Å; L315-F498 HydrophobicContact CD2-CE1 4.12Å; L315-F498 HydrophobicContact CD2-CG 3.69Å; L315-F499 WeakPolarHBondContact O-CZ 3.35Å
316	D	50.5	Low	60.4	Low	8 Å²	8	64.9 Å²	64.9	4%	0.043	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	21.6	178.8	-39.7	-83.6	0	0	0	113.4	Q314 G504 R507 L508 R513	Q314-D316 PolarHBondContact O-N 2.87Å; D316-G504 WeakPolarHBondContact OD1-CA 2.85Å; D316-G504 PolarHBondContact OD1-N 2.9Å; D316-R507 VanDerWaalsContact CG-NH2 3.29Å; D316-R507 IonicContact OD2-CZ 3.61Å; D316-R507 IonicContact OD2-NE 3.31Å; D316-R507 IonicContact OD2-NH1 3.61Å; D316-R507 PolarHBondContact OD2-NH1 3.3Å; D316-R507 IonicContact OD2-NH2 3.64Å; D316-R507 PolarHBondContact OD2-NH2 3.42Å; D316-L508 WeakPolarHBondContact O-CD2 3.17Å; D316-L508 VanDerWaalsContact O-CG 3.27Å; D316-L508 WeakPolarHBondContact O-CG 3.46Å; D316-R513 PolarHBondContact O-NH1 2.94Å; D316-R513 PolarHBondContact O-NH2 3.22Å
317	D	52.9	Low	59.3	Low	10 Å²	10	59.3 Å²	59.3	5%	0.053	33%	0.326	C	S	.	.	S	Bend	trans	-73.4	143.3	152.6	-82.9	-31.9	0	0	0	108.5	Q314 R513 A774	Q314-D317 PolarHBondContact O-N 3.15Å; D317-R513 IonicContact OD1-CZ 3.27Å; D317-R513 IonicContact OD1-NH1 2.71Å; D317-R513 PolarHBondContact OD1-NH1 3.25Å; D317-A774 VanDerWaalsContact OD2-CB 3.26Å; D317-A774 WeakPolarHBondContact OD2-CB 3.41Å
318	P	54	Low	58.5	Low	10 Å²	10	61.4 Å²	61.4	7%	0.065	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-58.8	129.9	173.4	-15.5	29.8	0	0	0	107.8	Y492 L508 R778 V780	P318-Y492 HydrophobicContact CB-CD1 4.18Å; P318-Y492 HydrophobicContact CB-CE1 3.87Å; P318-L508 HydrophobicContact CG-CD1 4.5Å; P318-L508 HydrophobicContact CG-CD2 4.18Å; P318-R778 VanDerWaalsContact O-CZ 3.24Å; P318-R778 PolarHBondContact O-NH1 3.45Å; P318-V780 HydrophobicContact CB-CG2 4.24Å; P318-V780 HydrophobicContact CG-CG2 4.11Å
319	P	52.2	Low	58.2	Low	21 Å²	21	56 Å²	56	14%	0.136	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-66.4	151.8	-178.7	26.8	-33.5	0	0	0	110.1	V321 R778	P319-V321 WeakPolarHBondContact O-CG2 3.48Å; P319-V321 PolarHBondContact O-N 3.02Å; P319-R778 PolarHBondContact O-NH1 3.36Å; P319-R778 PolarHBondContact O-NH2 3.1Å
320	L	55.2	Low	58.4	Low	108 Å²	108	55.1 Å²	55.1	57%	0.565	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-61.8	130	162.6	-74.7	170.7	0	0	0	107.7	V328 E330	L320-V328 HydrophobicContact CB-CG1 3.49Å; L320-V328 VanDerWaalsContact CB-CG1 3.49Å; L320-V328 HydrophobicContact CD1-CG1 3.92Å; L320-V328 HydrophobicContact CD2-CG1 4.31Å; L320-V328 HydrophobicContact CG-CG1 4.12Å; L320-E330 HydrophobicContact CD2-CG 3.89Å
321	V	56.5	Low	58.9	Low	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.9	-171.2	-173	0	0	0	0	107.7	P319 T323 M329 L331 N493 Y837	P319-V321 WeakPolarHBondContact O-CG2 3.48Å; P319-V321 PolarHBondContact O-N 3.02Å; V321-T323 PolarHBondContact O-N 3.27Å; V321-T323 VanDerWaalsContact O-N 3.13Å; V321-M329 PolarHBondContact N-O 3.11Å; V321-M329 VanDerWaalsContact N-O 3.14Å; V321-M329 PolarHBondContact O-N 2.98Å; V321-L331 HydrophobicContact CG2-CB 4.41Å; V321-N493 HydrophobicContact CG1-CB 4.08Å; V321-N493 WeakPolarHBondContact CG1-ND2 3.02Å; V321-Y837 HydrophobicContact CB-CD1 4.33Å; V321-Y837 HydrophobicContact CB-CE1 3.75Å; V321-Y837 HydrophobicContact CG1-CE1 3.69Å; V321-Y837 HydrophobicContact CG2-CE1 4.27Å
322	A	56.6	Low	59.8	Low	38 Å²	38	46.5 Å²	46.5	31%	0.314	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	109.4	166	0	0	0	0	0	108.9	N493	A322-N493 PolarHBondContact N-ND2 3.23Å; A322-N493 VanDerWaalsContact N-ND2 3.19Å; A322-N493 PolarHBondContact O-ND2 2.75Å
323	T	62.6	Low	61.1	Low	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.238	C	C	.	.			trans	-60.9	169.9	174.4	56.7	0	0	0	0	111.2	V321 Y325 G326 T327 M329 Y837	V321-T323 PolarHBondContact O-N 3.27Å; V321-T323 VanDerWaalsContact O-N 3.13Å; T323-Y325 PolarHBondContact O-N 3.01Å; T323-Y325 VanDerWaalsContact O-N 3.07Å; T323-G326 PolarHBondContact O-N 2.72Å; T323-T327 WeakPolarHBondContact CB-O 3.32Å; T323-T327 PolarHBondContact N-O 3.17Å; T323-T327 PolarHBondContact OG1-N 3.46Å; T323-T327 PolarHBondContact OG1-O 3.27Å; T323-T327 PolarHBondContact OG1-OG1 2.75Å; T323-M329 HydrophobicContact CG2-CB 3.85Å; T323-M329 HydrophobicContact CG2-CG 3.94Å; T323-M329 HydrophobicContact CG2-SD 3.69Å; T323-Y837 HydrophobicContact CG2-CD1 4.28Å; T323-Y837 HydrophobicContact CG2-CD2 4.31Å; T323-Y837 HydrophobicContact CG2-CG 4.03Å
324	T	58.9	Low	62.6	Low	38 Å²	38	35.7 Å²	35.7	23%	0.233	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.4	176.6	54.3	0	0	0	0	113.8	E853 L888 A891	T324-E853 HydrophobicContact CG2-CG 4.43Å; T324-E853 VanDerWaalsContact CG2-OE1 3.27Å; T324-E853 WeakPolarHBondContact CG2-OE1 3.49Å; T324-E853 PolarHBondContact N-OE1 2.8Å; T324-E853 PolarHBondContact OG1-OE1 2.73Å; T324-L888 HydrophobicContact CG2-CD1 4.2Å; T324-L888 HydrophobicContact CG2-CD2 3.26Å; T324-L888 HydrophobicContact CG2-CG 4.35Å; T324-A891 WeakPolarHBondContact OG1-CB 3.26Å
325	Y	57.5	Low	64.5	Low	109 Å²	109	33.5 Å²	33.5	43%	0.427	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	7.1	173.9	-63.8	-65.6	0	0	0	114.5	T323 T327 H851 A891	T323-Y325 PolarHBondContact O-N 3.01Å; T323-Y325 VanDerWaalsContact O-N 3.07Å; Y325-T327 PolarHBondContact O-N 2.96Å; Y325-H851 AromaticContact CD2-CE1 3.42Å; Y325-H851 VanDerWaalsContact CD2-CE1 3.42Å; Y325-H851 WeakPolarHBondContact CD2-CE1 3.35Å; Y325-H851 AromaticContact CD2-ND1 3.86Å; Y325-H851 AromaticContact CE2-CE1 3.35Å; Y325-H851 WeakPolarHBondContact CE2-CE1 3.25Å; Y325-H851 AromaticContact CE2-ND1 3.81Å; Y325-A891 HydrophobicContact CE2-CB 4.06Å; Y325-A891 PolarHBondContact OH-O 2.82Å
326	G	57.5	Low	66.5	Low	54 Å²	54	29.8 Å²	29.8	56%	0.557	17%	0.173	S	C	*	.	S	Bend	trans	75.6	-4.5	-178.7	0	0	0	0	0	114.5	T323	T323-G326 PolarHBondContact O-N 2.72Å
327	T	64.3	Low	68.5	Low	52 Å²	52	29.4 Å²	29.4	32%	0.319	17%	0.171	S	C	.	.			trans	-73.6	130.4	172.9	33.1	0	0	0	0	110.8	T323 Y325 M329	T323-T327 WeakPolarHBondContact CB-O 3.32Å; T323-T327 PolarHBondContact N-O 3.17Å; T323-T327 PolarHBondContact OG1-N 3.46Å; T323-T327 PolarHBondContact OG1-O 3.27Å; T323-T327 PolarHBondContact OG1-OG1 2.75Å; Y325-T327 PolarHBondContact O-N 2.96Å; T327-M329 PolarHBondContact O-N 2.59Å
328	V	66.6	Low	70.5	Confident	89 Å²	89	28.9 Å²	28.9	54%	0.539	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	109.7	176.9	-177.9	0	0	0	0	108.2	L320	L320-V328 HydrophobicContact CB-CG1 3.49Å; L320-V328 VanDerWaalsContact CB-CG1 3.49Å; L320-V328 HydrophobicContact CD1-CG1 3.92Å; L320-V328 HydrophobicContact CD2-CG1 4.31Å; L320-V328 HydrophobicContact CG-CG1 4.12Å
329	M	74.6	Confident	72.4	Confident	7 Å²	7	28.9 Å²	28.9	3%	0.034	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	161.7	-179.2	-64.4	176.9	74.8	0	0	110.9	V321 T323 T327 D839 R849 H851	V321-M329 PolarHBondContact N-O 3.11Å; V321-M329 VanDerWaalsContact N-O 3.14Å; V321-M329 PolarHBondContact O-N 2.98Å; T323-M329 HydrophobicContact CG2-CB 3.85Å; T323-M329 HydrophobicContact CG2-CG 3.94Å; T323-M329 HydrophobicContact CG2-SD 3.69Å; T327-M329 PolarHBondContact O-N 2.59Å; M329-D839 HydrophobicContact CE-CB 3.79Å; M329-D839 VanDerWaalsContact CE-N 3.27Å; M329-D839 HydrophobicContact CG-CB 4.25Å; M329-R849 WeakPolarHBondContact CE-O 3.23Å; M329-H851 HydrophobicContact CE-CB 3.61Å; M329-H851 HydrophobicContact SD-CB 3.68Å
330	E	74.4	Confident	74.3	Confident	30 Å²	30	28 Å²	28	14%	0.14	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.1	176.2	-67.2	-174.4	173.1	0	0	111.1	L320 R332 Y837 E838 T840	L320-E330 HydrophobicContact CD2-CG 3.89Å; E330-R332 PolarHBondContact O-N 3.32Å; E330-R332 IonicContact OE2-CZ 2.95Å; E330-R332 IonicContact OE2-NE 2.62Å; E330-R332 PolarHBondContact OE2-NE 3.09Å; E330-R332 IonicContact OE2-NH2 3.81Å; E330-R332 PolarHBondContact OE2-NH2 3.32Å; E330-Y837 CarbonylContact O-C 3.54Å; E330-Y837 VanDerWaalsContact O-CA 3.25Å; E330-Y837 WeakPolarHBondContact O-CA 3.45Å; E330-E838 PolarHBondContact N-O 3.36Å; E330-E838 PolarHBondContact O-N 2.97Å; E330-T840 VanDerWaalsContact CD-CG2 3.49Å; E330-T840 HydrophobicContact CG-CG2 4.35Å; E330-T840 VanDerWaalsContact OE2-CG2 3.24Å; E330-T840 WeakPolarHBondContact OE2-CG2 3.19Å
331	L	77.5	Confident	76.1	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130	168	-174	73.9	0	0	0	110.4	V321 V334 L491 Y492 V780 M835 Y837	V321-L331 HydrophobicContact CG2-CB 4.41Å; L331-V334 HydrophobicContact CD1-CG2 4.09Å; L331-V334 HydrophobicContact CD2-CG2 3.68Å; L331-V334 HydrophobicContact CG-CG2 4.2Å; L331-L491 WeakPolarHBondContact CD2-O 3.42Å; L331-Y492 HydrophobicContact CD2-CD1 3.76Å; L331-Y492 HydrophobicContact CD2-CE1 3.25Å; L331-V780 HydrophobicContact CD2-CG1 3.87Å; L331-V780 HydrophobicContact CD2-CG2 4.47Å; L331-V780 HydrophobicContact CG-CG1 4.17Å; L331-V780 WeakPolarHBondContact O-CG2 2.97Å; L331-M835 HydrophobicContact CD1-CB 3.98Å; L331-Y837 HydrophobicContact CB-CD1 4.05Å; L331-Y837 HydrophobicContact CB-CE1 4.04Å; L331-Y837 HydrophobicContact CD1-CD1 3.85Å; L331-Y837 HydrophobicContact CD1-CE1 3.51Å; L331-Y837 HydrophobicContact CD1-CE2 4.38Å; L331-Y837 HydrophobicContact CD1-CG 4.42Å; L331-Y837 HydrophobicContact CG-CE1 4.36Å
332	R	78.5	Confident	77.8	Confident	48 Å²	48	22.9 Å²	22.9	18%	0.181	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-38.9	179.2	-65.8	-53.6	-170.1	75.9	8.4	113.5	E330 V780 R781 L836 E838	E330-R332 PolarHBondContact O-N 3.32Å; E330-R332 IonicContact OE2-CZ 2.95Å; E330-R332 IonicContact OE2-NE 2.62Å; E330-R332 PolarHBondContact OE2-NE 3.09Å; E330-R332 IonicContact OE2-NH2 3.81Å; E330-R332 PolarHBondContact OE2-NH2 3.32Å; R332-V780 WeakPolarHBondContact O-CA 3.42Å; R332-R781 PolarHBondContact O-N 3.45Å; R332-L836 PolarHBondContact N-O 3.28Å; R332-E838 HydrophobicContact CG-CB 3.64Å; R332-E838 IonicContact CZ-OE1 2.84Å; R332-E838 IonicContact CZ-OE2 3.93Å; R332-E838 IonicContact NE-OE2 2.67Å; R332-E838 VanDerWaalsContact NH1-CD 3.3Å; R332-E838 IonicContact NH1-OE1 2.81Å; R332-E838 PolarHBondContact NH1-OE1 3.03Å; R332-E838 IonicContact NH1-OE2 3.13Å; R332-E838 PolarHBondContact NH1-OE2 3.29Å; R332-E838 IonicContact NH2-OE1 2.69Å; R332-E838 PolarHBondContact NH2-OE1 2.94Å; R332-E838 IonicContact NH2-OE2 3.97Å; R332-E838 PolarHBondContact NH2-OE2 2.97Å
333	C	83	Confident	79.6	Confident	1 Å²	1	22 Å²	22	1%	0.007	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145	-178.1	-163.1	0	0	0	0	111.8	L748 C751 R781 M835 L836	C333-L748 HydrophobicContact CB-CD2 4.48Å; C333-C751 HydrophobicContact CB-CB 4.4Å; C333-C751 VanDerWaalsContact CB-SG 3.57Å; C333-R781 CarbonylContact C-O 3.57Å; C333-R781 WeakPolarHBondContact CA-O 3.38Å; C333-M835 WeakPolarHBondContact O-CA 3.2Å; C333-L836 HydrophobicContact CB-CB 3.84Å; C333-L836 HydrophobicContact CB-CD2 4.2Å; C333-L836 PolarHBondContact N-O 3.48Å; C333-L836 PolarHBondContact O-N 2.93Å
334	V	84.1	Confident	80.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.7	170.5	176.2	0	0	0	0	107.9	L331 L491 V780 R781 T782 R783 V833 L834 M835	L331-V334 HydrophobicContact CD1-CG2 4.09Å; L331-V334 HydrophobicContact CD2-CG2 3.68Å; L331-V334 HydrophobicContact CG-CG2 4.2Å; V334-L491 HydrophobicContact CB-CD1 4.11Å; V334-L491 HydrophobicContact CB-CD2 3.98Å; V334-L491 HydrophobicContact CG1-CD1 3.56Å; V334-L491 HydrophobicContact CG1-CD2 3.17Å; V334-L491 HydrophobicContact CG1-CG 3.99Å; V334-L491 HydrophobicContact CG2-CB 4.39Å; V334-L491 HydrophobicContact CG2-CD1 3.91Å; V334-L491 HydrophobicContact CG2-CD2 3.62Å; V334-L491 HydrophobicContact CG2-CG 4.16Å; V334-V780 HydrophobicContact CG2-CG1 4.34Å; V334-R781 PolarHBondContact N-O 2.95Å; V334-T782 HydrophobicContact CB-CG2 4.32Å; V334-T782 HydrophobicContact CG1-CG2 4.29Å; V334-T782 CarbonylContact O-C 3.54Å; V334-T782 VanDerWaalsContact O-CA 3.25Å; V334-T782 WeakPolarHBondContact O-CA 3.36Å; V334-R783 PolarHBondContact O-N 3.18Å; V334-V833 HydrophobicContact CG1-CG1 4.17Å; V334-L834 WeakPolarHBondContact CA-O 3.34Å; V334-M835 HydrophobicContact CG2-CG 4.48Å
335	L	89.6	Confident	82.5	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.9	170.5	-51.5	-179.2	0	0	0	107.9	L744 D747 L748 R783 V833 L834	L335-L744 HydrophobicContact CB-CD2 4.06Å; L335-L744 HydrophobicContact CD1-CB 4.21Å; L335-L744 HydrophobicContact CD1-CD2 3.86Å; L335-L744 HydrophobicContact CG-CD2 4.47Å; L335-D747 HydrophobicContact CD2-CB 4.02Å; L335-L748 HydrophobicContact CD1-CD1 4.21Å; L335-L748 HydrophobicContact CD1-CD2 3.54Å; L335-L748 HydrophobicContact CD1-CG 3.55Å; L335-L748 HydrophobicContact CG-CD2 4.18Å; L335-R783 CarbonylContact C-O 3.44Å; L335-R783 WeakPolarHBondContact CA-O 3.25Å; L335-R783 HydrophobicContact CD2-CB 3.5Å; L335-R783 VanDerWaalsContact CD2-CB 3.5Å; L335-R783 HydrophobicContact CD2-CG 3.52Å; L335-V833 CarbonylContact O-C 3.58Å; L335-V833 WeakPolarHBondContact O-CA 3.1Å; L335-L834 HydrophobicContact CB-CB 4.28Å; L335-L834 HydrophobicContact CB-CD1 4.18Å; L335-L834 PolarHBondContact N-O 3.07Å; L335-L834 PolarHBondContact O-N 2.93Å
336	A	90.5	Very high	84	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137.8	173.6	0	0	0	0	0	113	I338 F487 R783 L784 Y785 M832 V833	A336-I338 HydrophobicContact CB-CD1 4.49Å; A336-I338 HydrophobicContact CB-CG1 4.32Å; A336-F487 HydrophobicContact CB-CE1 3.53Å; A336-F487 HydrophobicContact CB-CE2 4.46Å; A336-F487 HydrophobicContact CB-CZ 3.23Å; A336-R783 PolarHBondContact N-O 3.32Å; A336-L784 HydrophobicContact CB-CD2 3.89Å; A336-L784 CarbonylContact O-C 3.5Å; A336-L784 WeakPolarHBondContact O-CA 3.39Å; A336-Y785 WeakPolarHBondContact O-CD2 3.45Å; A336-Y785 PolarHBondContact O-N 3.47Å; A336-M832 CarbonylContact C-O 3.56Å; A336-M832 VanDerWaalsContact CA-O 3.25Å; A336-M832 WeakPolarHBondContact CA-O 3.27Å; A336-V833 HydrophobicContact CB-CB 4.47Å; A336-V833 HydrophobicContact CB-CG1 4.42Å; A336-V833 HydrophobicContact CB-CG2 3.96Å
337	I	92.7	Very high	85.5	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.1	177.2	-52.5	84.9	0	0	0	106.8	L740 L744 Y785 T787 I792 L795 Q831 M832 L834	I337-L740 HydrophobicContact CG1-CD2 4.29Å; I337-L740 HydrophobicContact CG2-CD2 4.26Å; I337-L744 HydrophobicContact CD1-CD1 4Å; I337-L744 HydrophobicContact CD1-CD2 4.22Å; I337-L744 HydrophobicContact CG1-CD1 4.45Å; I337-Y785 CarbonylContact C-O 3.58Å; I337-Y785 WeakPolarHBondContact CA-O 3.24Å; I337-Y785 HydrophobicContact CG1-CD2 4.43Å; I337-T787 HydrophobicContact CG2-CG2 3.7Å; I337-I792 HydrophobicContact CG2-CD1 3.99Å; I337-L795 HydrophobicContact CB-CD1 3.97Å; I337-L795 HydrophobicContact CD1-CD1 4.39Å; I337-L795 HydrophobicContact CG1-CD1 3.9Å; I337-L795 HydrophobicContact CG2-CD1 3.69Å; I337-Q831 CarbonylContact O-C 3.42Å; I337-Q831 WeakPolarHBondContact O-CA 3.41Å; I337-M832 HydrophobicContact CD1-CB 4.46Å; I337-M832 HydrophobicContact CD1-SD 4.36Å; I337-M832 PolarHBondContact N-O 2.83Å; I337-M832 PolarHBondContact O-N 3.17Å; I337-L834 HydrophobicContact CD1-CD1 3.88Å
338	I	93.1	Very high	86.8	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.9	-167.8	-50.3	172.6	0	0	0	109	A336 L481 F487 F533 Y785 F786 T787 M829 Q831	A336-I338 HydrophobicContact CB-CD1 4.49Å; A336-I338 HydrophobicContact CB-CG1 4.32Å; I338-L481 HydrophobicContact CG2-CD2 4.29Å; I338-F487 HydrophobicContact CD1-CE2 3.84Å; I338-F487 HydrophobicContact CD1-CZ 3.6Å; I338-F487 HydrophobicContact CG1-CE2 4.48Å; I338-F487 HydrophobicContact CG1-CZ 4.22Å; I338-F533 HydrophobicContact CD1-CD2 4.32Å; I338-F533 HydrophobicContact CD1-CE1 4.49Å; I338-F533 HydrophobicContact CD1-CE2 3.91Å; I338-F533 HydrophobicContact CD1-CZ 4.01Å; I338-Y785 PolarHBondContact N-O 3.39Å; I338-F786 HydrophobicContact CB-CD1 3.97Å; I338-F786 HydrophobicContact CB-CE1 3.97Å; I338-F786 HydrophobicContact CD1-CE1 3.78Å; I338-F786 HydrophobicContact CD1-CE2 4.42Å; I338-F786 HydrophobicContact CD1-CZ 3.7Å; I338-F786 HydrophobicContact CG1-CE1 4.46Å; I338-F786 HydrophobicContact CG2-CD1 4.17Å; I338-F786 HydrophobicContact CG2-CE1 3.97Å; I338-F786 CarbonylContact O-C 3.52Å; I338-F786 VanDerWaalsContact O-CA 3.32Å; I338-F786 WeakPolarHBondContact O-CA 3.18Å; I338-T787 PolarHBondContact O-N 3.46Å; I338-M829 HydrophobicContact CG2-CE 3.73Å; I338-Q831 HydrophobicContact CG1-CB 4.16Å; I338-Q831 HydrophobicContact CG2-CB 4.45Å
339	R	93.9	Very high	87.9	Confident	9 Å²	9	17.4 Å²	17.4	3%	0.034	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	148.1	171.9	-166.8	178.1	175.9	-128.2	6.6	110.2	T787 E789 I792 Y826 N827 M829 A830	R339-T787 WeakPolarHBondContact CA-O 3.44Å; R339-E789 IonicContact CZ-OE2 2.74Å; R339-E789 IonicContact NE-OE2 3.81Å; R339-E789 IonicContact NH2-OE2 3.86Å; R339-E789 PolarHBondContact NH2-OE2 3.19Å; R339-I792 HydrophobicContact CB-CG1 4.06Å; R339-Y826 PolarHBondContact NH1-O 2.87Å; R339-N827 WeakPolarHBondContact CD-O 3.3Å; R339-N827 PolarHBondContact NH1-O 3.43Å; R339-N827 VanDerWaalsContact NH1-O 3.1Å; R339-M829 WeakPolarHBondContact O-CA 3.42Å; R339-A830 HydrophobicContact CB-CB 4.32Å; R339-A830 PolarHBondContact N-O 3.23Å
340	H	93.6	Very high	88.7	Confident	3 Å²	3	22.4 Å²	22.4	1%	0.014	10%	0.099	C	C	.	.			trans	-56.3	156.8	170.7	67.6	67.5	0	0	0	113.1	R525 V526 T529 T787 Y828 M829	H340-R525 HydrophobicContact CB-CG 4.49Å; H340-R525 PolarHBondContact CD2-NE 3.35Å; H340-R525 VanDerWaalsContact CD2-NE 3.28Å; H340-R525 PolarHBondContact CE1-NE 3.16Å; H340-R525 PolarHBondContact NE2-NE 3.32Å; H340-R525 PolarHBondContact NE2-NH2 3.31Å; H340-V526 HydrophobicContact CB-CG2 4.05Å; H340-T529 WeakPolarHBondContact CB-OG1 3.35Å; H340-T787 PolarHBondContact N-O 3.47Å; H340-Y828 AromaticContact CE1-CE1 3.99Å; H340-M829 PolarHBondContact O-N 2.93Å
341	G	92.2	Very high	89.5	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	9%	0.094	C	C	.	.			trans	-73	-178.4	175.1	0	0	0	0	0	113.6	T529 Y828 M829	G341-T529 PolarHBondContact N-OG1 2.82Å; G341-T529 VanDerWaalsContact N-OG1 3.17Å; G341-Y828 WeakPolarHBondContact O-CD1 3.37Å; G341-M829 VanDerWaalsContact CA-SD 3.56Å
342	D	93.3	Very high	90.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	10%	0.104	C	C	.	.			trans	-52.5	142.5	178.6	174.4	47	0	0	0	113.7	L470 T471 H692 Y828	D342-L470 WeakPolarHBondContact O-CD1 3.44Å; D342-T471 PolarHBondContact O-N 2.91Å; D342-T471 PolarHBondContact O-OG1 3.09Å; D342-T471 WeakPolarHBondContact OD2-CB 3.46Å; D342-T471 VanDerWaalsContact OD2-CG2 3.27Å; D342-T471 WeakPolarHBondContact OD2-CG2 3.39Å; D342-T471 PolarHBondContact OD2-OG1 2.89Å; D342-H692 IonicContact OD1-NE2 3.79Å; D342-H692 IonicContact OD2-CD2 2.98Å; D342-H692 IonicContact OD2-CE1 2.76Å; D342-H692 PolarHBondContact OD2-CE1 3.42Å; D342-H692 IonicContact OD2-NE2 3.15Å; D342-H692 PolarHBondContact OD2-NE2 2.99Å; D342-Y828 HydrophobicContact CB-CD2 3.64Å; D342-Y828 HydrophobicContact CB-CE2 3.76Å; D342-Y828 HydrophobicContact CB-CG 4.12Å; D342-Y828 WeakPolarHBondContact OD1-CE2 3.5Å; D342-Y828 PolarHBondContact OD1-OH 3.39Å
343	R	92.7	Very high	90.8	Very high	19 Å²	19	21.1 Å²	21.1	7%	0.072	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-148.9	149.5	-170.5	61.8	112.7	177.6	116.1	0.5	113.5	E469 D684 Y828	R343-E469 CarbonylContact C-O 3.47Å; R343-E469 WeakPolarHBondContact CA-O 3.31Å; R343-E469 VanDerWaalsContact CB-O 3.27Å; R343-E469 WeakPolarHBondContact CB-O 3.49Å; R343-D684 IonicContact CZ-OD2 2.82Å; R343-D684 VanDerWaalsContact CZ-OD2 3.25Å; R343-D684 IonicContact NH1-OD2 3.87Å; R343-D684 PolarHBondContact NH1-OD2 3.02Å; R343-D684 IonicContact NH2-OD2 3.63Å; R343-D684 PolarHBondContact NH2-OD2 3.06Å; R343-Y828 HydrophobicContact CG-CE1 3.94Å
344	T	91.4	Very high	91	Very high	15 Å²	15	23.2 Å²	23.2	9%	0.092	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-62.9	147.2	176.1	59.7	0	0	0	0	112	K346 G468 E469 T471 M646 Y688	T344-K346 PolarHBondContact O-N 2.9Å; T344-G468 WeakPolarHBondContact O-CA 3.09Å; T344-G468 PolarHBondContact O-N 3.25Å; T344-G468 PolarHBondContact OG1-N 3Å; T344-G468 VanDerWaalsContact OG1-N 3.09Å; T344-E469 PolarHBondContact N-O 3.15Å; T344-E469 PolarHBondContact OG1-N 2.93Å; T344-E469 VanDerWaalsContact OG1-N 3.07Å; T344-T471 HydrophobicContact CG2-CG2 4.01Å; T344-M646 HydrophobicContact CG2-SD 3.83Å; T344-Y688 HydrophobicContact CG2-CE2 3.93Å
345	P	91.6	Very high	91.2	Very high	9 Å²	9	24.6 Å²	24.6	6%	0.058	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-57.9	134	178.1	-27.8	35.6	0	0	0	112.6	Q347 Y688	P345-Q347 PolarHBondContact O-N 3.31Å; P345-Y688 HydrophobicContact CG-CD1 3.8Å; P345-Y688 HydrophobicContact CG-CD2 4.33Å; P345-Y688 HydrophobicContact CG-CG 3.67Å
346	K	89.9	Confident	91.2	Very high	98 Å²	98	30.3 Å²	30.3	43%	0.426	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-71	127	176.6	-75.7	179.2	174.2	175.2	0	110.1	T344 E523	T344-K346 PolarHBondContact O-N 2.9Å; K346-E523 IonicContact NZ-OE1 3.39Å; K346-E523 PolarHBondContact NZ-OE1 3.42Å
347	Q	89.2	Confident	91.3	Very high	19 Å²	19	34 Å²	34	9%	0.089	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152.7	177.4	-68.5	-59.9	-35.1	0	0	112	P345 K465 W466	P345-Q347 PolarHBondContact O-N 3.31Å; Q347-K465 WeakPolarHBondContact O-CA 3.48Å; Q347-W466 HydrophobicContact CB-CD2 3.76Å; Q347-W466 HydrophobicContact CB-CE3 4.25Å; Q347-W466 HydrophobicContact CB-CG 4.32Å; Q347-W466 HydrophobicContact CB-CH2 3.91Å; Q347-W466 HydrophobicContact CB-CZ2 3.39Å; Q347-W466 HydrophobicContact CB-CZ3 4.32Å; Q347-W466 HydrophobicContact CG-CZ2 4.12Å; Q347-W466 PolarHBondContact N-O 2.86Å; Q347-W466 PolarHBondContact O-N 2.94Å; Q347-W466 VanDerWaalsContact O-O 3.12Å
348	K	90.9	Very high	91.3	Very high	91 Å²	91	34 Å²	34	40%	0.396	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	136.5	177.4	71	-169.7	179.2	-159.9	0	111.1	V464 K465 K659	K348-V464 CarbonylContact C-O 3.58Å; K348-V464 VanDerWaalsContact CA-O 3.26Å; K348-V464 WeakPolarHBondContact CA-O 3.49Å; K348-K465 HydrophobicContact CB-CG 3.81Å; K348-K659 PolarHBondContact O-NZ 2.72Å
349	L	90.5	Very high	91.2	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.084	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.1	171.7	175.1	64.4	0	0	0	108.4	K411 Q414 I415 I463 V464 W466	L349-K411 HydrophobicContact CD1-CD 4.11Å; L349-K411 HydrophobicContact CD1-CG 4.18Å; L349-K411 HydrophobicContact CD2-CB 4.35Å; L349-Q414 HydrophobicContact CD2-CB 3.84Å; L349-Q414 HydrophobicContact CD2-CG 4.13Å; L349-I415 HydrophobicContact CD2-CD1 4.29Å; L349-I415 HydrophobicContact CD2-CG1 3.68Å; L349-I463 CarbonylContact O-C 3.59Å; L349-I463 VanDerWaalsContact O-CA 3.25Å; L349-I463 WeakPolarHBondContact O-CA 3.37Å; L349-V464 PolarHBondContact N-O 3.39Å; L349-V464 PolarHBondContact O-N 3.27Å; L349-W466 HydrophobicContact CB-CH2 4.13Å; L349-W466 HydrophobicContact CB-CZ3 3.75Å
350	K	91.4	Very high	91.2	Very high	112 Å²	112	38.9 Å²	38.9	49%	0.487	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.4	172.8	-64.2	-177.3	-178.8	176.2	0	109.4	K411 L461 V462 I463	K350-K411 PolarHBondContact O-NZ 3.28Å; K350-L461 HydrophobicContact CB-CD1 4.26Å; K350-V462 WeakPolarHBondContact CA-O 3.25Å; K350-I463 HydrophobicContact CG-CG1 4.22Å; K350-I463 HydrophobicContact CG-CG2 4.12Å
351	M	91.1	Very high	91.2	Very high	5 Å²	5	39 Å²	39	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.7	173.2	75.5	-178.1	-75.8	0	0	111.4	V353 E407 K411 L412 I415 V462	M351-V353 HydrophobicContact CE-CG1 3.86Å; M351-V353 HydrophobicContact CG-CG1 3.87Å; M351-V353 HydrophobicContact SD-CG1 4.29Å; M351-E407 HydrophobicContact CE-CB 3.89Å; M351-E407 HydrophobicContact CE-CG 3.95Å; M351-K411 HydrophobicContact CB-CD 3.61Å; M351-K411 HydrophobicContact CE-CB 4.18Å; M351-K411 HydrophobicContact SD-CB 3.88Å; M351-L412 HydrophobicContact CE-CD2 3.73Å; M351-L412 HydrophobicContact CE-CG 4.12Å; M351-L412 HydrophobicContact SD-CD2 4.31Å; M351-I415 HydrophobicContact CG-CD1 4.32Å; M351-I415 HydrophobicContact SD-CD1 3.35Å; M351-I415 WeakPolarHBondContact SD-CD1 3.42Å; M351-I415 HydrophobicContact SD-CG1 4.43Å; M351-V462 HydrophobicContact CG-CB 4.07Å; M351-V462 PolarHBondContact N-O 3.04Å; M351-V462 PolarHBondContact O-N 3.16Å
352	E	90.5	Very high	91.2	Very high	46 Å²	46	39 Å²	39	22%	0.215	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	136.1	167.4	-65.6	179.9	-175.7	0	0	108.1	S440 K441 C442 L460 L461	E352-S440 VanDerWaalsContact CD-OG 3.3Å; E352-S440 PolarHBondContact OE1-OG 2.83Å; E352-S440 WeakPolarHBondContact OE2-CB 3.49Å; E352-S440 PolarHBondContact OE2-OG 3.47Å; E352-K441 PolarHBondContact OE1-N 2.8Å; E352-C442 PolarHBondContact OE1-SG 3.36Å; E352-L460 CarbonylContact C-O 3.59Å; E352-L460 WeakPolarHBondContact CA-O 3.27Å; E352-L461 HydrophobicContact CG-CD1 4.22Å
353	V	91	Very high	91.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.4	174.9	-53.3	0	0	0	0	109.1	M351 F358 E407 L460 V462	M351-V353 HydrophobicContact CE-CG1 3.86Å; M351-V353 HydrophobicContact CG-CG1 3.87Å; M351-V353 HydrophobicContact SD-CG1 4.29Å; V353-F358 HydrophobicContact CB-CD2 3.58Å; V353-F358 HydrophobicContact CB-CE2 3.9Å; V353-F358 HydrophobicContact CB-CG 4.12Å; V353-F358 HydrophobicContact CG1-CD2 3.98Å; V353-F358 HydrophobicContact CG1-CE2 3.79Å; V353-F358 HydrophobicContact CG1-CZ 4.19Å; V353-F358 HydrophobicContact CG2-CB 3.65Å; V353-F358 HydrophobicContact CG2-CD1 4.22Å; V353-F358 HydrophobicContact CG2-CD2 3.59Å; V353-F358 HydrophobicContact CG2-CE2 4.25Å; V353-F358 HydrophobicContact CG2-CG 3.58Å; V353-E407 WeakPolarHBondContact CA-OE1 3.45Å; V353-E407 HydrophobicContact CB-CG 4.06Å; V353-E407 HydrophobicContact CG1-CG 3.95Å; V353-L460 HydrophobicContact CG2-CB 3.71Å; V353-L460 PolarHBondContact N-O 2.92Å; V353-L460 PolarHBondContact O-N 3.17Å; V353-V462 HydrophobicContact CB-CG2 4.29Å; V353-V462 HydrophobicContact CG1-CB 4.28Å; V353-V462 HydrophobicContact CG1-CG2 3.72Å; V353-V462 HydrophobicContact CG2-CG2 3.5Å
354	R	88.2	Confident	91.1	Very high	44 Å²	44	47.1 Å²	47.1	17%	0.166	22%	0.223	C	C	.	.			trans	-125.1	-11.5	178.6	-63.6	179.2	175.9	-103.4	-2	112.3	Q356 F359 E407 M454 L455 G457 C459	R354-Q356 PolarHBondContact O-N 2.87Å; R354-F359 WeakPolarHBondContact O-CE2 3.46Å; R354-E407 PolarHBondContact N-OE1 3.43Å; R354-M454 PolarHBondContact NH1-O 3.44Å; R354-L455 PolarHBondContact NH1-O 2.72Å; R354-L455 PolarHBondContact NH2-O 3.15Å; R354-G457 PolarHBondContact NH1-O 3.29Å; R354-C459 HydrophobicContact CG-CB 3.98Å
355	H	88.5	Confident	91.1	Very high	30 Å²	30	49.5 Å²	49.5	14%	0.139	23%	0.23	C	C	.	.			trans	-63.8	133.1	-176.8	-170.4	-87.8	0	0	0	112.2	K357 F358 L391 E407	H355-K357 WeakPolarHBondContact ND1-CB 3.34Å; H355-K357 PolarHBondContact ND1-N 3.44Å; H355-K357 PolarHBondContact O-N 3.4Å; H355-F358 HydrophobicContact CB-CD2 4.19Å; H355-F358 PolarHBondContact O-N 2.66Å; H355-L391 HydrophobicContact CB-CD1 4.36Å; H355-L391 HydrophobicContact CB-CD2 4.32Å; H355-L391 VanDerWaalsContact CD2-CD2 3.4Å; H355-L391 WeakPolarHBondContact CD2-CD2 3.17Å; H355-E407 VanDerWaalsContact CB-OE1 3.29Å; H355-E407 WeakPolarHBondContact CB-OE1 3.37Å; H355-E407 PolarHBondContact N-OE1 2.77Å
356	Q	89.1	Confident	90.9	Very high	119 Å²	119	54.7 Å²	54.7	56%	0.556	26%	0.258	S	S	*	.	H	α-helix	trans	-54	-34.2	-173.4	-171.4	59.6	38.7	0	0	113.6	R354 F358 F359 N360	R354-Q356 PolarHBondContact O-N 2.87Å; Q356-F358 VanDerWaalsContact C-N 3.27Å; Q356-F358 PolarHBondContact O-N 2.97Å; Q356-F359 CarbonylContact O-C 3.57Å; Q356-F359 WeakPolarHBondContact O-CB 3.44Å; Q356-F359 PolarHBondContact O-N 2.86Å; Q356-N360 PolarHBondContact NE2-OD1 2.84Å; Q356-N360 VanDerWaalsContact O-CG 3.26Å; Q356-N360 PolarHBondContact O-N 2.71Å; Q356-N360 PolarHBondContact O-OD1 2.89Å
357	K	91.9	Very high	90.7	Very high	78 Å²	78	50 Å²	50	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-58.8	-34.9	176.6	-72.7	-177.7	173.5	-174.2	0	113.5	H355 N360 L361 I387 H390	H355-K357 WeakPolarHBondContact ND1-CB 3.34Å; H355-K357 PolarHBondContact ND1-N 3.44Å; H355-K357 PolarHBondContact O-N 3.4Å; K357-N360 PolarHBondContact O-N 2.96Å; K357-L361 WeakPolarHBondContact O-CB 2.93Å; K357-L361 PolarHBondContact O-N 2.8Å; K357-I387 HydrophobicContact CB-CD1 4.12Å; K357-I387 HydrophobicContact CB-CG1 3.98Å; K357-I387 HydrophobicContact CB-CG2 3.96Å; K357-H390 PolarHBondContact NZ-CD2 2.89Å; K357-H390 PolarHBondContact NZ-CE1 3.2Å; K357-H390 VanDerWaalsContact NZ-CG 3.32Å; K357-H390 PolarHBondContact NZ-NE2 2.6Å
358	F	93.2	Very high	90.6	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-69.2	-39.2	174.4	-75.1	-69.3	0	0	0	111.6	V353 H355 Q356 L361 F362 I387 V388 L391 M434 L460 V462	V353-F358 HydrophobicContact CB-CD2 3.58Å; V353-F358 HydrophobicContact CB-CE2 3.9Å; V353-F358 HydrophobicContact CB-CG 4.12Å; V353-F358 HydrophobicContact CG1-CD2 3.98Å; V353-F358 HydrophobicContact CG1-CE2 3.79Å; V353-F358 HydrophobicContact CG1-CZ 4.19Å; V353-F358 HydrophobicContact CG2-CB 3.65Å; V353-F358 HydrophobicContact CG2-CD1 4.22Å; V353-F358 HydrophobicContact CG2-CD2 3.59Å; V353-F358 HydrophobicContact CG2-CE2 4.25Å; V353-F358 HydrophobicContact CG2-CG 3.58Å; H355-F358 HydrophobicContact CB-CD2 4.19Å; H355-F358 PolarHBondContact O-N 2.66Å; Q356-F358 VanDerWaalsContact C-N 3.27Å; Q356-F358 PolarHBondContact O-N 2.97Å; F358-L361 PolarHBondContact O-N 3.33Å; F358-F362 WeakPolarHBondContact O-CB 3.42Å; F358-F362 PolarHBondContact O-N 2.75Å; F358-I387 HydrophobicContact CD1-CD1 4.38Å; F358-I387 HydrophobicContact CD1-CG2 4.23Å; F358-I387 HydrophobicContact CD2-CG2 4.06Å; F358-I387 HydrophobicContact CE1-CB 4.49Å; F358-I387 HydrophobicContact CE1-CG2 3.92Å; F358-I387 HydrophobicContact CE2-CG2 3.74Å; F358-I387 HydrophobicContact CG-CG2 4.29Å; F358-I387 HydrophobicContact CZ-CG2 3.66Å; F358-V388 HydrophobicContact CZ-CG2 4.31Å; F358-L391 HydrophobicContact CD2-CD1 4.47Å; F358-L391 HydrophobicContact CE2-CD1 3.64Å; F358-L391 HydrophobicContact CZ-CD1 4.36Å; F358-M434 HydrophobicContact CD1-CE 4.05Å; F358-L460 HydrophobicContact CB-CD1 4.14Å; F358-V462 HydrophobicContact CD1-CG2 4.34Å; F358-V462 HydrophobicContact CE1-CG2 4.45Å
359	F	91.7	Very high	90.2	Very high	23 Å²	23	54.6 Å²	54.6	10%	0.101	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-39.3	174	-74.2	-82.7	0	0	0	112.6	R354 Q356 L361 F362 S363 F368 Y436 L460	R354-F359 WeakPolarHBondContact O-CE2 3.46Å; Q356-F359 CarbonylContact O-C 3.57Å; Q356-F359 WeakPolarHBondContact O-CB 3.44Å; Q356-F359 PolarHBondContact O-N 2.86Å; F359-L361 VanDerWaalsContact C-N 3.35Å; F359-F362 PolarHBondContact O-N 2.84Å; F359-S363 WeakPolarHBondContact O-CB 3.06Å; F359-S363 PolarHBondContact O-N 2.81Å; F359-F368 HydrophobicContact CD1-CZ 4.16Å; F359-Y436 HydrophobicContact CE1-CD2 4.38Å; F359-Y436 HydrophobicContact CE1-CE2 4.16Å; F359-L460 HydrophobicContact CD1-CD1 3.93Å; F359-L460 HydrophobicContact CD1-CD2 4.27Å; F359-L460 HydrophobicContact CD1-CG 3.94Å; F359-L460 HydrophobicContact CD2-CD1 4.5Å; F359-L460 HydrophobicContact CE1-CD1 4.19Å; F359-L460 HydrophobicContact CE1-CD2 3.98Å; F359-L460 HydrophobicContact CE1-CG 3.68Å; F359-L460 HydrophobicContact CE2-CG 4.47Å; F359-L460 HydrophobicContact CG-CD1 4.11Å; F359-L460 HydrophobicContact CG-CG 4.46Å; F359-L460 HydrophobicContact CZ-CG 3.98Å
360	N	93.5	Very high	89.7	Confident	87 Å²	87	61.6 Å²	61.6	47%	0.465	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-44.3	175	-66.2	-2.4	0	0	0	110.8	Q356 K357 F362 S363 K364	Q356-N360 PolarHBondContact NE2-OD1 2.84Å; Q356-N360 VanDerWaalsContact O-CG 3.26Å; Q356-N360 PolarHBondContact O-N 2.71Å; Q356-N360 PolarHBondContact O-OD1 2.89Å; K357-N360 PolarHBondContact O-N 2.96Å; N360-F362 VanDerWaalsContact C-N 3.34Å; N360-S363 PolarHBondContact O-N 2.76Å; N360-K364 VanDerWaalsContact O-CB 3.26Å; N360-K364 WeakPolarHBondContact O-CB 3.29Å; N360-K364 PolarHBondContact O-N 3.4Å
361	L	93.3	Very high	89.5	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-41.6	174.7	-173.2	67.7	0	0	0	111.7	K357 F358 F359 K364 Y365 L375 E383 V384 I387 M434	K357-L361 WeakPolarHBondContact O-CB 2.93Å; K357-L361 PolarHBondContact O-N 2.8Å; F358-L361 PolarHBondContact O-N 3.33Å; F359-L361 VanDerWaalsContact C-N 3.35Å; L361-K364 PolarHBondContact O-N 3.19Å; L361-Y365 HydrophobicContact CD1-CD2 3.8Å; L361-Y365 HydrophobicContact CD1-CE2 3.52Å; L361-Y365 HydrophobicContact CG-CD2 4.28Å; L361-Y365 HydrophobicContact CG-CE2 4.44Å; L361-Y365 WeakPolarHBondContact O-CD2 3.33Å; L361-Y365 PolarHBondContact O-N 2.72Å; L361-L375 HydrophobicContact CD2-CD1 4.06Å; L361-E383 HydrophobicContact CD1-CB 3.81Å; L361-E383 HydrophobicContact CD1-CG 4.42Å; L361-E383 VanDerWaalsContact CD1-OE2 3.27Å; L361-E383 WeakPolarHBondContact CD1-OE2 3.4Å; L361-V384 HydrophobicContact CD2-CG2 3.6Å; L361-I387 HydrophobicContact CB-CD1 4.07Å; L361-I387 HydrophobicContact CD2-CD1 3.86Å; L361-I387 HydrophobicContact CG-CD1 4.5Å; L361-M434 HydrophobicContact CD2-CE 3.83Å
362	F	92.7	Very high	89.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-42.8	177.3	-169	-104.9	0	0	0	111.9	F358 F359 N360 G367 F368 L373 M434 L460	F358-F362 WeakPolarHBondContact O-CB 3.42Å; F358-F362 PolarHBondContact O-N 2.75Å; F359-F362 PolarHBondContact O-N 2.84Å; N360-F362 VanDerWaalsContact C-N 3.34Å; F362-G367 WeakPolarHBondContact CE1-O 3.36Å; F362-G367 WeakPolarHBondContact CZ-O 3.41Å; F362-G367 WeakPolarHBondContact O-CA 3.17Å; F362-G367 PolarHBondContact O-N 2.81Å; F362-F368 HydrophobicContact CD1-CD1 4.1Å; F362-F368 AromaticContact CD1-CD2 3.93Å; F362-F368 HydrophobicContact CD1-CD2 3.93Å; F362-F368 HydrophobicContact CD1-CE1 4.04Å; F362-F368 AromaticContact CD1-CE2 3.87Å; F362-F368 HydrophobicContact CD1-CE2 3.87Å; F362-F368 HydrophobicContact CD1-CG 4.05Å; F362-F368 AromaticContact CD1-CZ 3.93Å; F362-F368 HydrophobicContact CD1-CZ 3.93Å; F362-F368 HydrophobicContact CE1-CB 4.48Å; F362-F368 AromaticContact CE1-CD1 3.85Å; F362-F368 HydrophobicContact CE1-CD1 3.85Å; F362-F368 HydrophobicContact CE1-CD2 4.31Å; F362-F368 HydrophobicContact CE1-CE1 4.12Å; F362-F368 AromaticContact CE1-CG 3.96Å; F362-F368 HydrophobicContact CE1-CG 3.96Å; F362-F368 HydrophobicContact CE1-CZ 4.46Å; F362-F368 VanDerWaalsContact CE1-N 3.34Å; F362-L373 HydrophobicContact CD2-CB 3.68Å; F362-L373 HydrophobicContact CD2-CD2 3.92Å; F362-L373 HydrophobicContact CD2-CG 4.48Å; F362-L373 HydrophobicContact CE2-CB 3.57Å; F362-M434 HydrophobicContact CD2-CB 3.71Å; F362-M434 HydrophobicContact CD2-SD 4.34Å; F362-M434 HydrophobicContact CE2-CB 3.87Å; F362-L460 HydrophobicContact CB-CD1 3.69Å; F362-L460 HydrophobicContact CD1-CD2 3.99Å; F362-L460 HydrophobicContact CD2-CD1 4.3Å; F362-L460 HydrophobicContact CD2-CD2 4.17Å; F362-L460 HydrophobicContact CE1-CD2 4.11Å; F362-L460 HydrophobicContact CE2-CD2 4.3Å; F362-L460 HydrophobicContact CG-CD1 3.96Å; F362-L460 HydrophobicContact CG-CD2 4.01Å; F362-L460 HydrophobicContact CZ-CD2 4.27Å
363	S	91.2	Very high	89.5	Confident	66 Å²	66	60.8 Å²	60.8	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-48.7	174.7	-162.3	0	0	0	0	111.9	F359 N360 Y365 N366	F359-S363 WeakPolarHBondContact O-CB 3.06Å; F359-S363 PolarHBondContact O-N 2.81Å; N360-S363 PolarHBondContact O-N 2.76Å; S363-Y365 PolarHBondContact O-N 2.74Å; S363-Y365 VanDerWaalsContact O-N 3.11Å; S363-N366 PolarHBondContact O-N 3.27Å
364	K	93.1	Very high	89.4	Confident	124 Å²	124	65.9 Å²	65.9	54%	0.539	32%	0.324	S	S	.	.	H	α-helix	trans	-53.1	-35.8	-179.3	179	-179.5	174.8	-173	0	113	N360 L361 E383	N360-K364 VanDerWaalsContact O-CB 3.26Å; N360-K364 WeakPolarHBondContact O-CB 3.29Å; N360-K364 PolarHBondContact O-N 3.4Å; L361-K364 PolarHBondContact O-N 3.19Å; K364-E383 IonicContact NZ-OE1 3.91Å; K364-E383 PolarHBondContact NZ-OE1 3.15Å; K364-E383 IonicContact NZ-OE2 2.79Å; K364-E383 PolarHBondContact NZ-OE2 3.29Å
365	Y	91.6	Very high	89.5	Confident	65 Å²	65	63.8 Å²	63.8	26%	0.255	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	28.1	179	-68	-70.7	0	0	0	113.5	L361 S363 G367 L373 L375 Q380 E383	L361-Y365 HydrophobicContact CD1-CD2 3.8Å; L361-Y365 HydrophobicContact CD1-CE2 3.52Å; L361-Y365 HydrophobicContact CG-CD2 4.28Å; L361-Y365 HydrophobicContact CG-CE2 4.44Å; L361-Y365 WeakPolarHBondContact O-CD2 3.33Å; L361-Y365 PolarHBondContact O-N 2.72Å; S363-Y365 PolarHBondContact O-N 2.74Å; S363-Y365 VanDerWaalsContact O-N 3.11Å; Y365-G367 PolarHBondContact O-N 3.47Å; Y365-L373 VanDerWaalsContact CB-CD1 3.48Å; Y365-L373 HydrophobicContact CG-CD1 4.49Å; Y365-L375 HydrophobicContact CD2-CD2 4.06Å; Y365-L375 HydrophobicContact CG-CD2 4.2Å; Y365-Q380 HydrophobicContact CE1-CG 4.03Å; Y365-Q380 HydrophobicContact CE2-CG 4.3Å; Y365-E383 PolarHBondContact OH-OE1 3.02Å
366	N	87.4	Confident	89.1	Confident	118 Å²	118	69.3 Å²	69.3	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	27.1	175.5	-62.8	-16.2	0	0	0	114.9	S363 F368 T369	S363-N366 PolarHBondContact O-N 3.27Å; N366-F368 VanDerWaalsContact C-N 3.29Å; N366-F368 PolarHBondContact O-N 2.93Å; N366-T369 PolarHBondContact O-N 2.71Å; N366-T369 PolarHBondContact O-OG1 3.15Å
367	G	85	Confident	88.8	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-29.5	-174.4	0	0	0	0	0	114.7	F362 Y365 T369 K370 S371 E372	F362-G367 WeakPolarHBondContact CE1-O 3.36Å; F362-G367 WeakPolarHBondContact CZ-O 3.41Å; F362-G367 WeakPolarHBondContact O-CA 3.17Å; F362-G367 PolarHBondContact O-N 2.81Å; Y365-G367 PolarHBondContact O-N 3.47Å; G367-T369 VanDerWaalsContact C-N 3.31Å; G367-T369 PolarHBondContact O-N 2.8Å; G367-K370 PolarHBondContact O-N 2.78Å; G367-S371 WeakPolarHBondContact O-CA 3.41Å; G367-S371 PolarHBondContact O-N 2.98Å; G367-E372 PolarHBondContact O-N 2.73Å
368	F	86	Confident	88.1	Confident	93 Å²	93	72 Å²	72	41%	0.408	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-33.8	-179.9	-72.4	-72.9	0	0	0	113	F359 F362 N366 K370 S371 Y436	F359-F368 HydrophobicContact CD1-CZ 4.16Å; F362-F368 HydrophobicContact CD1-CD1 4.1Å; F362-F368 AromaticContact CD1-CD2 3.93Å; F362-F368 HydrophobicContact CD1-CD2 3.93Å; F362-F368 HydrophobicContact CD1-CE1 4.04Å; F362-F368 AromaticContact CD1-CE2 3.87Å; F362-F368 HydrophobicContact CD1-CE2 3.87Å; F362-F368 HydrophobicContact CD1-CG 4.05Å; F362-F368 AromaticContact CD1-CZ 3.93Å; F362-F368 HydrophobicContact CD1-CZ 3.93Å; F362-F368 HydrophobicContact CE1-CB 4.48Å; F362-F368 AromaticContact CE1-CD1 3.85Å; F362-F368 HydrophobicContact CE1-CD1 3.85Å; F362-F368 HydrophobicContact CE1-CD2 4.31Å; F362-F368 HydrophobicContact CE1-CE1 4.12Å; F362-F368 AromaticContact CE1-CG 3.96Å; F362-F368 HydrophobicContact CE1-CG 3.96Å; F362-F368 HydrophobicContact CE1-CZ 4.46Å; F362-F368 VanDerWaalsContact CE1-N 3.34Å; N366-F368 VanDerWaalsContact C-N 3.29Å; N366-F368 PolarHBondContact O-N 2.93Å; F368-K370 VanDerWaalsContact C-N 3.33Å; F368-K370 PolarHBondContact O-N 2.96Å; F368-S371 PolarHBondContact O-N 2.76Å; F368-Y436 HydrophobicContact CD1-CD2 4.26Å; F368-Y436 HydrophobicContact CD1-CE2 4.46Å; F368-Y436 AromaticContact CE1-CD2 3.76Å; F368-Y436 HydrophobicContact CE1-CD2 3.76Å; F368-Y436 AromaticContact CE1-CE2 3.76Å; F368-Y436 HydrophobicContact CE1-CE2 3.76Å
369	T	83.4	Confident	87.7	Confident	112 Å²	112	75.1 Å²	75.1	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-62.8	-37.5	-178	61	0	0	0	0	113.2	N366 G367	N366-T369 PolarHBondContact O-N 2.71Å; N366-T369 PolarHBondContact O-OG1 3.15Å; G367-T369 VanDerWaalsContact C-N 3.31Å; G367-T369 PolarHBondContact O-N 2.8Å
370	K	80.3	Confident	87.6	Confident	164 Å²	164	75 Å²	75	71%	0.713	38%	0.379	S	S	*	.	H	α-helix	trans	-103.6	-0.7	-179.5	-63.6	-175.5	-178.9	-177.8	0	113	G367 F368 E372	G367-K370 PolarHBondContact O-N 2.78Å; F368-K370 VanDerWaalsContact C-N 3.33Å; F368-K370 PolarHBondContact O-N 2.96Å; K370-E372 HydrophobicContact CB-CG 4.26Å; K370-E372 PolarHBondContact O-N 3.4Å
371	S	86.5	Confident	87.4	Confident	67 Å²	67	71.2 Å²	71.2	47%	0.469	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	11.4	-165.9	-48.7	0	0	0	0	114.7	G367 F368 Y436	G367-S371 WeakPolarHBondContact O-CA 3.41Å; G367-S371 PolarHBondContact O-N 2.98Å; F368-S371 PolarHBondContact O-N 2.76Å; S371-Y436 PolarHBondContact O-N 3.09Å
372	E	89.7	Confident	87.2	Confident	63 Å²	63	73.9 Å²	73.9	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146	176.5	67.7	164.7	-149.2	0	0	111.4	G367 K370 K374 M434 K435	G367-E372 PolarHBondContact O-N 2.73Å; K370-E372 HydrophobicContact CB-CG 4.26Å; K370-E372 PolarHBondContact O-N 3.4Å; E372-K374 WeakPolarHBondContact OE1-CE 3.39Å; E372-K374 IonicContact OE1-NZ 2.69Å; E372-K374 PolarHBondContact OE1-NZ 3.4Å; E372-K374 IonicContact OE2-NZ 3.98Å; E372-M434 CarbonylContact C-O 3.51Å; E372-M434 VanDerWaalsContact CA-O 3.28Å; E372-M434 WeakPolarHBondContact CA-O 3.37Å; E372-K435 HydrophobicContact CB-CG 4.29Å; E372-K435 IonicContact OE2-NZ 2.8Å
373	L	92.3	Very high	87.2	Confident	15 Å²	15	76 Å²	76	8%	0.079	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.4	176.2	174.5	60.6	0	0	0	109	F362 Y365 L375 Q433 M434	F362-L373 HydrophobicContact CD2-CB 3.68Å; F362-L373 HydrophobicContact CD2-CD2 3.92Å; F362-L373 HydrophobicContact CD2-CG 4.48Å; F362-L373 HydrophobicContact CE2-CB 3.57Å; Y365-L373 VanDerWaalsContact CB-CD1 3.48Å; Y365-L373 HydrophobicContact CG-CD1 4.49Å; L373-L375 HydrophobicContact CD1-CD2 3.72Å; L373-L375 HydrophobicContact CD1-CG 4.46Å; L373-L375 HydrophobicContact CD2-CD1 4.31Å; L373-L375 HydrophobicContact CD2-CD2 3.92Å; L373-L375 HydrophobicContact CD2-CG 4.18Å; L373-L375 HydrophobicContact CG-CD2 3.76Å; L373-L375 HydrophobicContact CG-CG 4.01Å; L373-Q433 CarbonylContact O-C 3.58Å; L373-Q433 WeakPolarHBondContact O-CA 2.94Å; L373-M434 HydrophobicContact CB-CB 4.28Å; L373-M434 HydrophobicContact CD2-SD 4.35Å; L373-M434 PolarHBondContact N-O 3Å; L373-M434 PolarHBondContact O-N 3.22Å
374	K	89.7	Confident	87.3	Confident	107 Å²	107	72.9 Å²	72.9	47%	0.465	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110.6	177.5	-63.7	175.9	-176	146.2	0	109	E372 Q433	E372-K374 WeakPolarHBondContact OE1-CE 3.39Å; E372-K374 IonicContact OE1-NZ 2.69Å; E372-K374 PolarHBondContact OE1-NZ 3.4Å; E372-K374 IonicContact OE2-NZ 3.98Å; K374-Q433 HydrophobicContact CG-CG 4.09Å
375	L	89.9	Confident	87.3	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.7	178.7	-55.2	179.6	0	0	0	109.6	L361 Y365 L373 Q380 L381 V384 K431 V432 M434	L361-L375 HydrophobicContact CD2-CD1 4.06Å; Y365-L375 HydrophobicContact CD2-CD2 4.06Å; Y365-L375 HydrophobicContact CG-CD2 4.2Å; L373-L375 HydrophobicContact CD1-CD2 3.72Å; L373-L375 HydrophobicContact CD1-CG 4.46Å; L373-L375 HydrophobicContact CD2-CD1 4.31Å; L373-L375 HydrophobicContact CD2-CD2 3.92Å; L373-L375 HydrophobicContact CD2-CG 4.18Å; L373-L375 HydrophobicContact CG-CD2 3.76Å; L373-L375 HydrophobicContact CG-CG 4.01Å; L375-Q380 HydrophobicContact CB-CB 3.99Å; L375-Q380 HydrophobicContact CD1-CB 4.44Å; L375-Q380 HydrophobicContact CD2-CB 4Å; L375-Q380 HydrophobicContact CD2-CG 4.08Å; L375-Q380 HydrophobicContact CG-CB 4.36Å; L375-L381 HydrophobicContact CB-CD2 4.44Å; L375-V384 HydrophobicContact CD1-CG2 3.71Å; L375-K431 WeakPolarHBondContact O-CA 3.27Å; L375-V432 HydrophobicContact CB-CB 4.33Å; L375-V432 PolarHBondContact N-O 2.85Å; L375-V432 PolarHBondContact O-N 3.37Å; L375-M434 HydrophobicContact CD1-CE 4.12Å
376	K	80.5	Confident	87.4	Confident	146 Å²	146	67.7 Å²	67.7	64%	0.635	34%	0.341	S	S	*	.			trans	-133.5	-23.5	178.2	-67.9	-174.6	-179.5	-179.5	0	112.9	K431	K376-K431 HydrophobicContact CG-CB 4.11Å
377	R	81	Confident	87.8	Confident	179 Å²	179	62.8 Å²	62.8	68%	0.675	32%	0.315	S	S	*	.	S	Bend	trans	-74.4	142.5	-174.2	-62.1	179.8	-178.6	167.5	-0.1	110.3	A379 Q380 L381	R377-A379 VanDerWaalsContact C-N 3.32Å; R377-A379 PolarHBondContact O-N 2.78Å; R377-Q380 HydrophobicContact CB-CB 4.45Å; R377-Q380 HydrophobicContact CB-CG 4.04Å; R377-Q380 VanDerWaalsContact N-OE1 3.12Å; R377-Q380 WeakPolarHBondContact O-CB 3.44Å; R377-Q380 PolarHBondContact O-N 2.88Å; R377-L381 WeakPolarHBondContact O-CG 3.48Å; R377-L381 PolarHBondContact O-N 2.97Å
378	P	78.7	Confident	88.2	Confident	74 Å²	74	62.8 Å²	62.8	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-46.1	-48.8	177.3	-34.3	38.4	0	0	0	114.5	Q380 L381 Q382 F425	P378-Q380 VanDerWaalsContact C-N 3.33Å; P378-Q380 PolarHBondContact O-N 2.84Å; P378-L381 PolarHBondContact O-N 2.77Å; P378-Q382 PolarHBondContact O-N 2.76Å; P378-F425 HydrophobicContact CB-CB 3.82Å; P378-F425 HydrophobicContact CB-CD2 4.11Å; P378-F425 HydrophobicContact CB-CG 4.27Å; P378-F425 HydrophobicContact CG-CB 4.09Å
379	A	84.3	Confident	88.5	Confident	68 Å²	68	63.2 Å²	63.2	56%	0.562	31%	0.313	S	S	*	.	H	α-helix	trans	-60.1	-40.1	178.6	0	0	0	0	0	113	R377 Q382 E383	R377-A379 VanDerWaalsContact C-N 3.32Å; R377-A379 PolarHBondContact O-N 2.78Å; A379-Q382 WeakPolarHBondContact O-CB 3.32Å; A379-Q382 PolarHBondContact O-N 2.91Å; A379-E383 PolarHBondContact O-N 2.88Å; A379-E383 VanDerWaalsContact O-N 3.15Å
380	Q	89.4	Confident	88.9	Confident	21 Å²	21	61.1 Å²	61.1	10%	0.098	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-39.5	177.4	-63.7	173.6	-32.4	0	0	111.8	Y365 L375 R377 P378 Q382 E383 V384	Y365-Q380 HydrophobicContact CE1-CG 4.03Å; Y365-Q380 HydrophobicContact CE2-CG 4.3Å; L375-Q380 HydrophobicContact CB-CB 3.99Å; L375-Q380 HydrophobicContact CD1-CB 4.44Å; L375-Q380 HydrophobicContact CD2-CB 4Å; L375-Q380 HydrophobicContact CD2-CG 4.08Å; L375-Q380 HydrophobicContact CG-CB 4.36Å; R377-Q380 HydrophobicContact CB-CB 4.45Å; R377-Q380 HydrophobicContact CB-CG 4.04Å; R377-Q380 VanDerWaalsContact N-OE1 3.12Å; R377-Q380 WeakPolarHBondContact O-CB 3.44Å; R377-Q380 PolarHBondContact O-N 2.88Å; P378-Q380 VanDerWaalsContact C-N 3.33Å; P378-Q380 PolarHBondContact O-N 2.84Å; Q380-Q382 VanDerWaalsContact C-N 3.34Å; Q380-E383 PolarHBondContact O-N 3.1Å; Q380-V384 PolarHBondContact O-N 3.41Å
381	L	89	Confident	89.4	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-69.9	-33.9	177.4	-61.8	-179.2	0	0	0	111.3	L375 R377 P378 V384 L385 F425 R430 V432	L375-L381 HydrophobicContact CB-CD2 4.44Å; R377-L381 WeakPolarHBondContact O-CG 3.48Å; R377-L381 PolarHBondContact O-N 2.97Å; P378-L381 PolarHBondContact O-N 2.77Å; L381-V384 PolarHBondContact O-N 3.25Å; L381-L385 PolarHBondContact O-N 2.92Å; L381-F425 HydrophobicContact CB-CD1 3.82Å; L381-F425 HydrophobicContact CB-CE1 3.55Å; L381-F425 HydrophobicContact CB-CE2 4.47Å; L381-F425 HydrophobicContact CB-CG 4.42Å; L381-F425 HydrophobicContact CB-CZ 3.91Å; L381-F425 HydrophobicContact CD1-CD1 4Å; L381-F425 HydrophobicContact CD1-CE1 4.44Å; L381-R430 HydrophobicContact CD1-CB 4.11Å; L381-V432 HydrophobicContact CD2-CB 4.24Å; L381-V432 HydrophobicContact CD2-CG2 3.73Å
382	Q	89.9	Confident	89.6	Confident	62 Å²	62	50.8 Å²	50.8	29%	0.29	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-45.1	172.5	-169.3	55.7	65	0	0	111	P378 A379 Q380 V384 L385 D386 F425	P378-Q382 PolarHBondContact O-N 2.76Å; A379-Q382 WeakPolarHBondContact O-CB 3.32Å; A379-Q382 PolarHBondContact O-N 2.91Å; Q380-Q382 VanDerWaalsContact C-N 3.34Å; Q382-V384 VanDerWaalsContact C-N 3.31Å; Q382-V384 PolarHBondContact O-N 2.89Å; Q382-L385 CarbonylContact O-C 3.42Å; Q382-L385 WeakPolarHBondContact O-CA 3.33Å; Q382-L385 WeakPolarHBondContact O-CB 3.21Å; Q382-L385 PolarHBondContact O-N 2.95Å; Q382-D386 PolarHBondContact NE2-OD1 2.77Å; Q382-D386 PolarHBondContact O-N 3.45Å; Q382-F425 HydrophobicContact CB-CE2 3.65Å; Q382-F425 HydrophobicContact CB-CZ 4.18Å; Q382-F425 HydrophobicContact CG-CE2 4.3Å
383	E	93.1	Very high	89.5	Confident	46 Å²	46	50.4 Å²	50.4	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-40.2	177	-70.1	-175.5	-113.6	0	0	112.4	L361 K364 Y365 A379 Q380 D386 I387	L361-E383 HydrophobicContact CD1-CB 3.81Å; L361-E383 HydrophobicContact CD1-CG 4.42Å; L361-E383 VanDerWaalsContact CD1-OE2 3.27Å; L361-E383 WeakPolarHBondContact CD1-OE2 3.4Å; K364-E383 IonicContact NZ-OE1 3.91Å; K364-E383 PolarHBondContact NZ-OE1 3.15Å; K364-E383 IonicContact NZ-OE2 2.79Å; K364-E383 PolarHBondContact NZ-OE2 3.29Å; Y365-E383 PolarHBondContact OH-OE1 3.02Å; A379-E383 PolarHBondContact O-N 2.88Å; A379-E383 VanDerWaalsContact O-N 3.15Å; Q380-E383 PolarHBondContact O-N 3.1Å; E383-D386 PolarHBondContact O-N 3.39Å; E383-I387 VanDerWaalsContact O-CG1 3.27Å; E383-I387 WeakPolarHBondContact O-CG1 3.35Å; E383-I387 PolarHBondContact O-N 3.24Å; E383-I387 VanDerWaalsContact O-N 3.12Å
384	V	93.2	Very high	89.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-44.1	174.2	178.2	0	0	0	0	110.7	L361 L375 Q380 L381 Q382 D386 I387 V388 I415 L419 V432 M434	L361-V384 HydrophobicContact CD2-CG2 3.6Å; L375-V384 HydrophobicContact CD1-CG2 3.71Å; Q380-V384 PolarHBondContact O-N 3.41Å; L381-V384 PolarHBondContact O-N 3.25Å; Q382-V384 VanDerWaalsContact C-N 3.31Å; Q382-V384 PolarHBondContact O-N 2.89Å; V384-D386 VanDerWaalsContact C-N 3.34Å; V384-D386 PolarHBondContact O-N 3.18Å; V384-I387 PolarHBondContact O-N 2.84Å; V384-V388 VanDerWaalsContact O-CG2 3.3Å; V384-V388 WeakPolarHBondContact O-CG2 3.34Å; V384-V388 PolarHBondContact O-N 2.82Å; V384-I415 HydrophobicContact CG1-CG2 4.44Å; V384-L419 HydrophobicContact CB-CD1 4.22Å; V384-L419 HydrophobicContact CG1-CD1 3.97Å; V384-V432 HydrophobicContact CG1-CG1 4.41Å; V384-V432 HydrophobicContact CG1-CG2 4.35Å; V384-V432 HydrophobicContact CG2-CG1 4.25Å; V384-M434 HydrophobicContact CG2-CE 3.94Å
385	L	91.8	Very high	88.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-40.4	178.4	177.2	56.7	0	0	0	111.8	L381 Q382 V388 R389 K416 L419 E420 F425	L381-L385 PolarHBondContact O-N 2.92Å; Q382-L385 CarbonylContact O-C 3.42Å; Q382-L385 WeakPolarHBondContact O-CA 3.33Å; Q382-L385 WeakPolarHBondContact O-CB 3.21Å; Q382-L385 PolarHBondContact O-N 2.95Å; L385-V388 PolarHBondContact O-N 3.46Å; L385-R389 HydrophobicContact CD1-CG 4.09Å; L385-R389 HydrophobicContact CG-CG 4.42Å; L385-R389 WeakPolarHBondContact O-CB 3.46Å; L385-R389 WeakPolarHBondContact O-CG 3.29Å; L385-R389 PolarHBondContact O-N 2.87Å; L385-K416 HydrophobicContact CD1-CB 4.49Å; L385-K416 HydrophobicContact CD1-CG 4.24Å; L385-L419 HydrophobicContact CB-CB 4.3Å; L385-L419 HydrophobicContact CB-CD1 3.92Å; L385-L419 HydrophobicContact CD1-CB 4.11Å; L385-L419 HydrophobicContact CD2-CB 4.3Å; L385-L419 HydrophobicContact CG-CB 4.47Å; L385-E420 HydrophobicContact CD1-CG 3.87Å; L385-E420 HydrophobicContact CD2-CG 3.83Å; L385-E420 HydrophobicContact CG-CG 4.49Å; L385-F425 HydrophobicContact CB-CZ 4.5Å; L385-F425 HydrophobicContact CD2-CZ 4.06Å
386	D	95.1	Very high	88.5	Confident	76 Å²	76	57.7 Å²	57.7	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-39.5	178.8	-64.9	-24.5	0	0	0	111.7	Q382 E383 V384 R389 H390	Q382-D386 PolarHBondContact NE2-OD1 2.77Å; Q382-D386 PolarHBondContact O-N 3.45Å; E383-D386 PolarHBondContact O-N 3.39Å; V384-D386 VanDerWaalsContact C-N 3.34Å; V384-D386 PolarHBondContact O-N 3.18Å; D386-R389 IonicContact OD1-NH1 3.79Å; D386-H390 VanDerWaalsContact O-CB 3.26Å; D386-H390 WeakPolarHBondContact O-CB 3.42Å; D386-H390 PolarHBondContact O-N 2.69Å
387	I	94.3	Very high	88.4	Confident	16 Å²	16	55.5 Å²	55.5	8%	0.082	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-47.7	172	-64.5	168.2	0	0	0	110	K357 F358 L361 E383 V384 H390 L391	K357-I387 HydrophobicContact CB-CD1 4.12Å; K357-I387 HydrophobicContact CB-CG1 3.98Å; K357-I387 HydrophobicContact CB-CG2 3.96Å; F358-I387 HydrophobicContact CD1-CD1 4.38Å; F358-I387 HydrophobicContact CD1-CG2 4.23Å; F358-I387 HydrophobicContact CD2-CG2 4.06Å; F358-I387 HydrophobicContact CE1-CB 4.49Å; F358-I387 HydrophobicContact CE1-CG2 3.92Å; F358-I387 HydrophobicContact CE2-CG2 3.74Å; F358-I387 HydrophobicContact CG-CG2 4.29Å; F358-I387 HydrophobicContact CZ-CG2 3.66Å; L361-I387 HydrophobicContact CB-CD1 4.07Å; L361-I387 HydrophobicContact CD2-CD1 3.86Å; L361-I387 HydrophobicContact CG-CD1 4.5Å; E383-I387 VanDerWaalsContact O-CG1 3.27Å; E383-I387 WeakPolarHBondContact O-CG1 3.35Å; E383-I387 PolarHBondContact O-N 3.24Å; E383-I387 VanDerWaalsContact O-N 3.12Å; V384-I387 PolarHBondContact O-N 2.84Å; I387-H390 WeakPolarHBondContact O-CB 3.33Å; I387-H390 PolarHBondContact O-N 3.49Å; I387-L391 HydrophobicContact CG2-CD1 4.13Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CG 3.47Å; I387-L391 PolarHBondContact O-N 2.8Å
388	V	93.6	Very high	87.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-46.3	-179.5	169.9	0	0	0	0	111.7	F358 V384 L385 H390 L391 L392 L412 I415 K416	F358-V388 HydrophobicContact CZ-CG2 4.31Å; V384-V388 VanDerWaalsContact O-CG2 3.3Å; V384-V388 WeakPolarHBondContact O-CG2 3.34Å; V384-V388 PolarHBondContact O-N 2.82Å; L385-V388 PolarHBondContact O-N 3.46Å; V388-H390 VanDerWaalsContact C-N 3.32Å; V388-H390 PolarHBondContact O-N 2.73Å; V388-L391 PolarHBondContact O-N 3.18Å; V388-L392 HydrophobicContact CG1-CD1 3.97Å; V388-L392 WeakPolarHBondContact O-CG 3.37Å; V388-L392 PolarHBondContact O-N 3.02Å; V388-L412 HydrophobicContact CG1-CB 4.2Å; V388-L412 HydrophobicContact CG1-CD2 4.43Å; V388-L412 WeakPolarHBondContact CG1-O 3.49Å; V388-L412 HydrophobicContact CG2-CD2 4.2Å; V388-I415 HydrophobicContact CG1-CB 4.4Å; V388-I415 HydrophobicContact CG2-CB 4.18Å; V388-I415 HydrophobicContact CG2-CG2 3.78Å; V388-K416 HydrophobicContact CG1-CB 3.97Å
389	R	93.6	Very high	86.6	Confident	102 Å²	102	48.2 Å²	48.2	39%	0.385	26%	0.258	S	S	.	.	H	α-helix	trans	-59.4	-43.2	176.2	-75.9	172.3	172.7	170.8	-6.1	111.5	L385 D386 L392 S393 E420	L385-R389 HydrophobicContact CD1-CG 4.09Å; L385-R389 HydrophobicContact CG-CG 4.42Å; L385-R389 WeakPolarHBondContact O-CB 3.46Å; L385-R389 WeakPolarHBondContact O-CG 3.29Å; L385-R389 PolarHBondContact O-N 2.87Å; D386-R389 IonicContact OD1-NH1 3.79Å; R389-L392 PolarHBondContact O-N 3.06Å; R389-S393 WeakPolarHBondContact O-CB 3.31Å; R389-S393 PolarHBondContact O-N 3.41Å; R389-E420 IonicContact CZ-OE1 2.75Å; R389-E420 IonicContact NE-OE1 2.67Å; R389-E420 PolarHBondContact NE-OE1 3.08Å; R389-E420 IonicContact NH2-OE1 3.49Å; R389-E420 PolarHBondContact NH2-OE1 2.8Å
390	H	91.7	Very high	85	Confident	69 Å²	69	54.4 Å²	54.4	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-61.8	-46.5	176.9	177.4	75.1	0	0	0	112.1	K357 D386 I387 V388 S393 L394	K357-H390 PolarHBondContact NZ-CD2 2.89Å; K357-H390 PolarHBondContact NZ-CE1 3.2Å; K357-H390 VanDerWaalsContact NZ-CG 3.32Å; K357-H390 PolarHBondContact NZ-NE2 2.6Å; D386-H390 VanDerWaalsContact O-CB 3.26Å; D386-H390 WeakPolarHBondContact O-CB 3.42Å; D386-H390 PolarHBondContact O-N 2.69Å; I387-H390 WeakPolarHBondContact O-CB 3.33Å; I387-H390 PolarHBondContact O-N 3.49Å; V388-H390 VanDerWaalsContact C-N 3.32Å; V388-H390 PolarHBondContact O-N 2.73Å; H390-S393 WeakPolarHBondContact O-CB 3.48Å; H390-S393 PolarHBondContact O-N 3.28Å; H390-L394 WeakPolarHBondContact NE2-CD1 3.26Å; H390-L394 WeakPolarHBondContact O-CG 3.28Å; H390-L394 PolarHBondContact O-N 3.03Å
391	L	90.1	Very high	83.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-42.6	178.1	-67.2	178.9	0	0	0	112.2	H355 F358 I387 V388 S393 L394 I395 I405 L412	H355-L391 HydrophobicContact CB-CD1 4.36Å; H355-L391 HydrophobicContact CB-CD2 4.32Å; H355-L391 VanDerWaalsContact CD2-CD2 3.4Å; H355-L391 WeakPolarHBondContact CD2-CD2 3.17Å; F358-L391 HydrophobicContact CD2-CD1 4.47Å; F358-L391 HydrophobicContact CE2-CD1 3.64Å; F358-L391 HydrophobicContact CZ-CD1 4.36Å; I387-L391 HydrophobicContact CG2-CD1 4.13Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CG 3.47Å; I387-L391 PolarHBondContact O-N 2.8Å; V388-L391 PolarHBondContact O-N 3.18Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 2.68Å; L391-L394 PolarHBondContact O-N 3.43Å; L391-I395 VanDerWaalsContact O-CG1 3.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.44Å; L391-I395 PolarHBondContact O-N 3.2Å; L391-I405 HydrophobicContact CD2-CD1 4.25Å; L391-I405 HydrophobicContact CD2-CG1 4.4Å; L391-L412 HydrophobicContact CB-CD1 3.87Å; L391-L412 HydrophobicContact CD1-CD1 4.35Å; L391-L412 HydrophobicContact CD1-CD2 4.24Å
392	L	90	Very high	81.4	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-37.4	175.3	-72.3	171.8	0	0	0	112.2	V388 R389 R396 R409 L412 E413 K416	V388-L392 HydrophobicContact CG1-CD1 3.97Å; V388-L392 WeakPolarHBondContact O-CG 3.37Å; V388-L392 PolarHBondContact O-N 3.02Å; R389-L392 PolarHBondContact O-N 3.06Å; L392-R396 WeakPolarHBondContact O-CB 3.46Å; L392-R396 PolarHBondContact O-N 2.84Å; L392-R409 HydrophobicContact CD2-CG 4.01Å; L392-L412 HydrophobicContact CD1-CB 4.36Å; L392-L412 HydrophobicContact CD2-CB 3.68Å; L392-L412 HydrophobicContact CD2-CD1 4.35Å; L392-L412 HydrophobicContact CG-CB 3.95Å; L392-E413 HydrophobicContact CD1-CG 4.36Å; L392-E413 HydrophobicContact CD2-CG 3.83Å; L392-K416 HydrophobicContact CD1-CB 4.08Å; L392-K416 HydrophobicContact CD1-CD 3.72Å; L392-K416 HydrophobicContact CD1-CG 4.5Å
393	S	88.2	Confident	79.9	Confident	54 Å²	54	63.5 Å²	63.5	38%	0.378	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-45.5	174.4	-173.8	0	0	0	0	111.8	R389 H390 L391 I395 R396 N397	R389-S393 WeakPolarHBondContact O-CB 3.31Å; R389-S393 PolarHBondContact O-N 3.41Å; H390-S393 WeakPolarHBondContact O-CB 3.48Å; H390-S393 PolarHBondContact O-N 3.28Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 2.68Å; S393-I395 PolarHBondContact O-N 2.83Å; S393-R396 PolarHBondContact O-N 3.31Å; S393-N397 WeakPolarHBondContact O-CB 3.41Å; S393-N397 VanDerWaalsContact O-CG 3.28Å; S393-N397 PolarHBondContact O-N 3.37Å
394	L	85.5	Confident	78.3	Confident	38 Å²	38	65.4 Å²	65.4	20%	0.199	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-42.7	176.4	-70.5	177	0	0	0	112.6	H390 L391 R396 N397 G398 T402 I405	H390-L394 WeakPolarHBondContact NE2-CD1 3.26Å; H390-L394 WeakPolarHBondContact O-CG 3.28Å; H390-L394 PolarHBondContact O-N 3.03Å; L391-L394 PolarHBondContact O-N 3.43Å; L394-R396 VanDerWaalsContact C-N 3.29Å; L394-R396 PolarHBondContact O-N 2.84Å; L394-N397 PolarHBondContact O-N 3.27Å; L394-G398 PolarHBondContact O-N 2.71Å; L394-T402 WeakPolarHBondContact O-CG2 3.38Å; L394-I405 HydrophobicContact CB-CD1 3.51Å; L394-I405 HydrophobicContact CD1-CD1 3.97Å; L394-I405 HydrophobicContact CG-CD1 4.42Å
395	I	83.4	Confident	77.1	Confident	40 Å²	40	66.7 Å²	66.7	21%	0.205	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-38.2	176.1	-66.3	163.9	0	0	0	111	L391 S393 I405 R409 L412	L391-I395 VanDerWaalsContact O-CG1 3.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.44Å; L391-I395 PolarHBondContact O-N 3.2Å; S393-I395 PolarHBondContact O-N 2.83Å; I395-I405 HydrophobicContact CD1-CG2 4.05Å; I395-I405 HydrophobicContact CG1-CD1 3.98Å; I395-I405 HydrophobicContact CG1-CG2 4.12Å; I395-R409 HydrophobicContact CD1-CB 4.29Å; I395-R409 HydrophobicContact CD1-CG 4.47Å; I395-R409 HydrophobicContact CG2-CG 4.28Å; I395-L412 HydrophobicContact CD1-CD1 3.83Å
396	R	82.4	Confident	76.2	Confident	197 Å²	197	68.5 Å²	68.5	74%	0.743	37%	0.37	S	S	*	.	H	α-helix	trans	-73.8	-39.5	-179.6	176.9	180	152.2	-175.4	-6.7	112.8	L392 S393 L394 G398	L392-R396 WeakPolarHBondContact O-CB 3.46Å; L392-R396 PolarHBondContact O-N 2.84Å; S393-R396 PolarHBondContact O-N 3.31Å; L394-R396 VanDerWaalsContact C-N 3.29Å; L394-R396 PolarHBondContact O-N 2.84Å; R396-G398 PolarHBondContact O-N 3.01Å
397	N	78.4	Confident	75.6	Confident	101 Å²	101	65.3 Å²	65.3	54%	0.54	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.4	-174.7	-66.9	-9.2	0	0	0	113.5	S393 L394 S399	S393-N397 WeakPolarHBondContact O-CB 3.41Å; S393-N397 VanDerWaalsContact O-CG 3.28Å; S393-N397 PolarHBondContact O-N 3.37Å; L394-N397 PolarHBondContact O-N 3.27Å; N397-S399 PolarHBondContact O-N 3.4Å
398	G	66.6	Low	75	Confident	56 Å²	56	69.6 Å²	69.6	58%	0.577	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	21.4	174.8	0	0	0	0	0	114.3	L394 R396	L394-G398 PolarHBondContact O-N 2.71Å; R396-G398 PolarHBondContact O-N 3.01Å
399	S	55.6	Low	74.6	Confident	44 Å²	44	75.8 Å²	75.8	31%	0.308	40%	0.396	S	S	.	.			trans	-57.9	141.8	-176.2	-46.7	0	0	0	0	110	N397 K401 T402	N397-S399 PolarHBondContact O-N 3.4Å; S399-K401 PolarHBondContact O-N 3.37Å; S399-T402 VanDerWaalsContact O-CB 3.26Å; S399-T402 WeakPolarHBondContact O-CB 3.3Å; S399-T402 WeakPolarHBondContact O-CG2 3.5Å; S399-T402 PolarHBondContact O-N 3.41Å; S399-T402 PolarHBondContact O-OG1 2.72Å
400	E	50.5	Low	74.2	Confident	198 Å²	198	74.5 Å²	74.5	93%	0.925	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-53.2	-24.3	178.9	-69.9	179.4	152.4	0	0	113.3	T402	E400-T402 PolarHBondContact O-N 3.07Å
401	K	52.2	Low	74.1	Confident	169 Å²	169	73.6 Å²	73.6	74%	0.735	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-68.2	-4.4	171.6	-64.7	-173.2	179.2	-179.5	0	114.7	S399 G403 C404	S399-K401 PolarHBondContact O-N 3.37Å; K401-G403 PolarHBondContact O-N 3.43Å; K401-C404 VanDerWaalsContact O-CB 3.29Å; K401-C404 WeakPolarHBondContact O-CB 3.35Å; K401-C404 PolarHBondContact O-N 3.17Å
402	T	50.7	Low	74.1	Confident	53 Å²	53	73.6 Å²	73.6	33%	0.325	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-59.4	-29.5	176	42.7	0	0	0	0	112.1	L394 S399 E400 C404 I405	L394-T402 WeakPolarHBondContact O-CG2 3.38Å; S399-T402 VanDerWaalsContact O-CB 3.26Å; S399-T402 WeakPolarHBondContact O-CB 3.3Å; S399-T402 WeakPolarHBondContact O-CG2 3.5Å; S399-T402 PolarHBondContact O-N 3.41Å; S399-T402 PolarHBondContact O-OG1 2.72Å; E400-T402 PolarHBondContact O-N 3.07Å; T402-C404 PolarHBondContact O-N 2.83Å; T402-I405 PolarHBondContact O-N 3.02Å
403	G	57.2	Low	74.1	Confident	58 Å²	58	75.5 Å²	75.5	60%	0.598	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-57	-18.1	172.2	0	0	0	0	0	114.4	K401	K401-G403 PolarHBondContact O-N 3.43Å
404	C	59.7	Low	74	Confident	86 Å²	86	74.1 Å²	74.1	58%	0.581	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-88	-16.6	177	-168	0	0	0	0	113.6	K401 T402 T406	K401-C404 VanDerWaalsContact O-CB 3.29Å; K401-C404 WeakPolarHBondContact O-CB 3.35Å; K401-C404 PolarHBondContact O-N 3.17Å; T402-C404 PolarHBondContact O-N 2.83Å; C404-T406 PolarHBondContact O-N 2.88Å
405	I	68.5	Low	74.2	Confident	26 Å²	26	72.3 Å²	72.3	13%	0.133	38%	0.384	C	S	.	.			trans	-88.1	106.1	-176.8	-56.2	177.4	0	0	0	109.3	L391 L394 I395 T402 E407	L391-I405 HydrophobicContact CD2-CD1 4.25Å; L391-I405 HydrophobicContact CD2-CG1 4.4Å; L394-I405 HydrophobicContact CB-CD1 3.51Å; L394-I405 HydrophobicContact CD1-CD1 3.97Å; L394-I405 HydrophobicContact CG-CD1 4.42Å; I395-I405 HydrophobicContact CD1-CG2 4.05Å; I395-I405 HydrophobicContact CG1-CD1 3.98Å; I395-I405 HydrophobicContact CG1-CG2 4.12Å; T402-I405 PolarHBondContact O-N 3.02Å; I405-E407 HydrophobicContact CG2-CB 4.3Å
406	T	74	Confident	74.6	Confident	41 Å²	41	73.5 Å²	73.5	25%	0.252	39%	0.388	S	S	.	.			trans	-92.8	-9.1	179	58.8	0	0	0	0	112.5	C404 L450 M454	C404-T406 PolarHBondContact O-N 2.88Å; T406-L450 HydrophobicContact CG2-CD1 4.06Å; T406-M454 HydrophobicContact CG2-CE 4.49Å
407	E	81.1	Confident	74.7	Confident	10 Å²	10	65.9 Å²	65.9	5%	0.047	36%	0.363	C	S	.	.	S	Bend	trans	-74	137.5	-176	-70.7	77	-173.3	0	0	113.5	M351 V353 R354 H355 I405 R409 L412	M351-E407 HydrophobicContact CE-CB 3.89Å; M351-E407 HydrophobicContact CE-CG 3.95Å; V353-E407 WeakPolarHBondContact CA-OE1 3.45Å; V353-E407 HydrophobicContact CB-CG 4.06Å; V353-E407 HydrophobicContact CG1-CG 3.95Å; R354-E407 PolarHBondContact N-OE1 3.43Å; H355-E407 VanDerWaalsContact CB-OE1 3.29Å; H355-E407 WeakPolarHBondContact CB-OE1 3.37Å; H355-E407 PolarHBondContact N-OE1 2.77Å; I405-E407 HydrophobicContact CG2-CB 4.3Å; E407-R409 PolarHBondContact O-N 2.81Å; E407-L412 HydrophobicContact CB-CD1 3.93Å; E407-L412 HydrophobicContact CB-CD2 4.3Å; E407-L412 HydrophobicContact CB-CG 4.22Å
408	Q	82	Confident	75.1	Confident	106 Å²	106	61.1 Å²	61.1	50%	0.495	34%	0.338	S	S	.	.			trans	-69.3	116.3	178.8	-66.5	178.9	-4	0	0	111.9	S410 K411 L412	Q408-S410 VanDerWaalsContact C-N 3.31Å; Q408-S410 PolarHBondContact O-N 2.88Å; Q408-K411 HydrophobicContact CB-CB 4.25Å; Q408-K411 HydrophobicContact CB-CD 4.3Å; Q408-K411 HydrophobicContact CB-CG 4.08Å; Q408-K411 PolarHBondContact O-N 2.97Å; Q408-K411 VanDerWaalsContact OE1-CD 3.31Å; Q408-L412 PolarHBondContact O-N 3.28Å
409	R	86.2	Confident	76	Confident	129 Å²	129	58.5 Å²	58.5	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-49.6	-46.6	178.3	-174.6	-176.6	177.7	155.9	-3.8	113.3	L392 I395 E407 K411 L412 E413	L392-R409 HydrophobicContact CD2-CG 4.01Å; I395-R409 HydrophobicContact CD1-CB 4.29Å; I395-R409 HydrophobicContact CD1-CG 4.47Å; I395-R409 HydrophobicContact CG2-CG 4.28Å; E407-R409 PolarHBondContact O-N 2.81Å; R409-K411 VanDerWaalsContact C-N 3.27Å; R409-K411 PolarHBondContact O-N 3.24Å; R409-L412 PolarHBondContact O-N 3.15Å; R409-E413 WeakPolarHBondContact O-CG 3.35Å; R409-E413 PolarHBondContact O-N 3.1Å
410	S	84.9	Confident	77.3	Confident	76 Å²	76	59.3 Å²	59.3	53%	0.531	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-35.2	-178.8	57.1	0	0	0	0	113.3	Q408 Q414 R655	Q408-S410 VanDerWaalsContact C-N 3.31Å; Q408-S410 PolarHBondContact O-N 2.88Å; S410-Q414 PolarHBondContact O-N 2.86Å; S410-Q414 VanDerWaalsContact O-N 3.16Å; S410-R655 PolarHBondContact O-NH1 2.8Å
411	K	88.6	Confident	78.5	Confident	49 Å²	49	51.5 Å²	51.5	21%	0.213	27%	0.273	C	S	.	.	H	α-helix	trans	-75.3	-39.4	176.1	-65.5	-167.5	176.5	171	0	111.8	L349 K350 M351 Q408 R409 Q414 I415	L349-K411 HydrophobicContact CD1-CD 4.11Å; L349-K411 HydrophobicContact CD1-CG 4.18Å; L349-K411 HydrophobicContact CD2-CB 4.35Å; K350-K411 PolarHBondContact O-NZ 3.28Å; M351-K411 HydrophobicContact CB-CD 3.61Å; M351-K411 HydrophobicContact CE-CB 4.18Å; M351-K411 HydrophobicContact SD-CB 3.88Å; Q408-K411 HydrophobicContact CB-CB 4.25Å; Q408-K411 HydrophobicContact CB-CD 4.3Å; Q408-K411 HydrophobicContact CB-CG 4.08Å; Q408-K411 PolarHBondContact O-N 2.97Å; Q408-K411 VanDerWaalsContact OE1-CD 3.31Å; R409-K411 VanDerWaalsContact C-N 3.27Å; R409-K411 PolarHBondContact O-N 3.24Å; K411-Q414 WeakPolarHBondContact O-CA 3.4Å; K411-Q414 VanDerWaalsContact O-CB 3.23Å; K411-Q414 WeakPolarHBondContact O-CB 3.23Å; K411-Q414 PolarHBondContact O-N 3.44Å; K411-Q414 VanDerWaalsContact O-N 3.1Å; K411-I415 WeakPolarHBondContact O-CG1 3.43Å; K411-I415 PolarHBondContact O-N 3.08Å
412	L	91.6	Very high	79.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-45.6	173.4	-67.6	176.7	0	0	0	111.2	M351 V388 L391 L392 I395 E407 Q408 R409 Q414 I415 K416	M351-L412 HydrophobicContact CE-CD2 3.73Å; M351-L412 HydrophobicContact CE-CG 4.12Å; M351-L412 HydrophobicContact SD-CD2 4.31Å; V388-L412 HydrophobicContact CG1-CB 4.2Å; V388-L412 HydrophobicContact CG1-CD2 4.43Å; V388-L412 WeakPolarHBondContact CG1-O 3.49Å; V388-L412 HydrophobicContact CG2-CD2 4.2Å; L391-L412 HydrophobicContact CB-CD1 3.87Å; L391-L412 HydrophobicContact CD1-CD1 4.35Å; L391-L412 HydrophobicContact CD1-CD2 4.24Å; L392-L412 HydrophobicContact CD1-CB 4.36Å; L392-L412 HydrophobicContact CD2-CB 3.68Å; L392-L412 HydrophobicContact CD2-CD1 4.35Å; L392-L412 HydrophobicContact CG-CB 3.95Å; I395-L412 HydrophobicContact CD1-CD1 3.83Å; E407-L412 HydrophobicContact CB-CD1 3.93Å; E407-L412 HydrophobicContact CB-CD2 4.3Å; E407-L412 HydrophobicContact CB-CG 4.22Å; Q408-L412 PolarHBondContact O-N 3.28Å; R409-L412 PolarHBondContact O-N 3.15Å; L412-Q414 PolarHBondContact O-N 2.98Å; L412-I415 PolarHBondContact O-N 3.15Å; L412-I415 VanDerWaalsContact O-N 3.12Å; L412-K416 PolarHBondContact O-N 3.12Å
413	E	89	Confident	79.6	Confident	55 Å²	55	48.4 Å²	48.4	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-36.8	173.5	-69.2	-67.7	-177.5	0	0	111.3	L392 R409 K416 T417	L392-E413 HydrophobicContact CD1-CG 4.36Å; L392-E413 HydrophobicContact CD2-CG 3.83Å; R409-E413 WeakPolarHBondContact O-CG 3.35Å; R409-E413 PolarHBondContact O-N 3.1Å; E413-K416 WeakPolarHBondContact O-CB 3.5Å; E413-K416 PolarHBondContact O-N 3.41Å; E413-T417 PolarHBondContact O-N 2.82Å; E413-T417 PolarHBondContact O-OG1 3.24Å
414	Q	86.7	Confident	79.8	Confident	24 Å²	24	50.9 Å²	50.9	11%	0.112	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-47	175	-158.5	165	-2.2	0	0	112.2	L349 S410 K411 L412 K416 T417 V418 W466	L349-Q414 HydrophobicContact CD2-CB 3.84Å; L349-Q414 HydrophobicContact CD2-CG 4.13Å; S410-Q414 PolarHBondContact O-N 2.86Å; S410-Q414 VanDerWaalsContact O-N 3.16Å; K411-Q414 WeakPolarHBondContact O-CA 3.4Å; K411-Q414 VanDerWaalsContact O-CB 3.23Å; K411-Q414 WeakPolarHBondContact O-CB 3.23Å; K411-Q414 PolarHBondContact O-N 3.44Å; K411-Q414 VanDerWaalsContact O-N 3.1Å; L412-Q414 PolarHBondContact O-N 2.98Å; Q414-K416 PolarHBondContact O-N 3.35Å; Q414-T417 PolarHBondContact O-N 3.32Å; Q414-V418 HydrophobicContact CG-CG2 4.37Å; Q414-V418 WeakPolarHBondContact O-CB 3.47Å; Q414-V418 VanDerWaalsContact O-CG2 3.25Å; Q414-V418 WeakPolarHBondContact O-CG2 3.13Å; Q414-V418 PolarHBondContact O-N 3.1Å; Q414-W466 VanDerWaalsContact NE2-CH2 3.34Å
415	I	90.1	Very high	79.9	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-41.6	179.8	-62.8	178.7	0	0	0	109.2	L349 M351 V384 V388 K411 L412 V418 L419 V462 V464	L349-I415 HydrophobicContact CD2-CD1 4.29Å; L349-I415 HydrophobicContact CD2-CG1 3.68Å; M351-I415 HydrophobicContact CG-CD1 4.32Å; M351-I415 HydrophobicContact SD-CD1 3.35Å; M351-I415 WeakPolarHBondContact SD-CD1 3.42Å; M351-I415 HydrophobicContact SD-CG1 4.43Å; V384-I415 HydrophobicContact CG1-CG2 4.44Å; V388-I415 HydrophobicContact CG1-CB 4.4Å; V388-I415 HydrophobicContact CG2-CB 4.18Å; V388-I415 HydrophobicContact CG2-CG2 3.78Å; K411-I415 WeakPolarHBondContact O-CG1 3.43Å; K411-I415 PolarHBondContact O-N 3.08Å; L412-I415 PolarHBondContact O-N 3.15Å; L412-I415 VanDerWaalsContact O-N 3.12Å; I415-V418 PolarHBondContact O-N 2.95Å; I415-L419 HydrophobicContact CG2-CD1 3.61Å; I415-L419 HydrophobicContact CG2-CG 4.03Å; I415-L419 VanDerWaalsContact O-CB 3.3Å; I415-L419 WeakPolarHBondContact O-CB 3.41Å; I415-L419 VanDerWaalsContact O-CG 3.28Å; I415-L419 WeakPolarHBondContact O-CG 3.24Å; I415-L419 PolarHBondContact O-N 2.63Å; I415-V462 HydrophobicContact CD1-CG1 4.5Å; I415-V464 HydrophobicContact CD1-CG2 3.79Å; I415-V464 HydrophobicContact CG1-CG2 3.8Å; I415-V464 HydrophobicContact CG2-CG2 4.25Å
416	K	90.3	Very high	78.9	Confident	65 Å²	65	51 Å²	51	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-57.7	-56.3	174	-178.8	-177.2	166.8	-166.3	0	111.3	L385 V388 L392 L412 E413 Q414 V418 L419 E420	L385-K416 HydrophobicContact CD1-CB 4.49Å; L385-K416 HydrophobicContact CD1-CG 4.24Å; V388-K416 HydrophobicContact CG1-CB 3.97Å; L392-K416 HydrophobicContact CD1-CB 4.08Å; L392-K416 HydrophobicContact CD1-CD 3.72Å; L392-K416 HydrophobicContact CD1-CG 4.5Å; L412-K416 PolarHBondContact O-N 3.12Å; E413-K416 WeakPolarHBondContact O-CB 3.5Å; E413-K416 PolarHBondContact O-N 3.41Å; Q414-K416 PolarHBondContact O-N 3.35Å; K416-V418 VanDerWaalsContact C-N 3.3Å; K416-V418 PolarHBondContact O-N 2.76Å; K416-L419 PolarHBondContact O-N 3.29Å; K416-E420 WeakPolarHBondContact CE-OE1 3.32Å; K416-E420 WeakPolarHBondContact CE-OE2 3.3Å; K416-E420 VanDerWaalsContact CG-CD 3.43Å; K416-E420 HydrophobicContact CG-CG 4.23Å; K416-E420 VanDerWaalsContact CG-OE2 3.25Å; K416-E420 WeakPolarHBondContact CG-OE2 2.84Å; K416-E420 VanDerWaalsContact O-CB 3.3Å; K416-E420 WeakPolarHBondContact O-CB 2.86Å; K416-E420 WeakPolarHBondContact O-CG 3.24Å; K416-E420 PolarHBondContact O-N 3.4Å
417	T	85	Confident	77.7	Confident	36 Å²	36	52.7 Å²	52.7	22%	0.221	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-43.6	179.1	-54.2	0	0	0	0	112	E413 Q414 M421 L652	E413-T417 PolarHBondContact O-N 2.82Å; E413-T417 PolarHBondContact O-OG1 3.24Å; Q414-T417 PolarHBondContact O-N 3.32Å; T417-M421 WeakPolarHBondContact O-CB 3.12Å; T417-M421 PolarHBondContact O-N 2.93Å; T417-M421 VanDerWaalsContact O-N 3.09Å; T417-L652 HydrophobicContact CG2-CD1 4.21Å; T417-L652 HydrophobicContact CG2-CD2 4.17Å; T417-L652 HydrophobicContact CG2-CG 4.11Å
418	V	85.8	Confident	76.4	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-44.7	179.3	170.3	0	0	0	0	111.1	Q414 I415 K416 R430 V464 W466 L652	Q414-V418 HydrophobicContact CG-CG2 4.37Å; Q414-V418 WeakPolarHBondContact O-CB 3.47Å; Q414-V418 VanDerWaalsContact O-CG2 3.25Å; Q414-V418 WeakPolarHBondContact O-CG2 3.13Å; Q414-V418 PolarHBondContact O-N 3.1Å; I415-V418 PolarHBondContact O-N 2.95Å; K416-V418 VanDerWaalsContact C-N 3.3Å; K416-V418 PolarHBondContact O-N 2.76Å; V418-R430 HydrophobicContact CG1-CG 4.46Å; V418-R430 WeakPolarHBondContact O-CD 3.4Å; V418-R430 PolarHBondContact O-NE 3.17Å; V418-R430 PolarHBondContact O-NH1 3.38Å; V418-R430 PolarHBondContact O-NH2 2.9Å; V418-V464 HydrophobicContact CG1-CG1 4.19Å; V418-W466 HydrophobicContact CB-CD2 4.48Å; V418-W466 HydrophobicContact CG1-CB 3.72Å; V418-W466 HydrophobicContact CG1-CD2 3.81Å; V418-W466 HydrophobicContact CG1-CE3 4Å; V418-W466 HydrophobicContact CG1-CG 3.7Å; V418-W466 HydrophobicContact CG2-CD2 3.75Å; V418-W466 HydrophobicContact CG2-CE3 4.01Å; V418-W466 HydrophobicContact CG2-CG 4.23Å; V418-W466 HydrophobicContact CG2-CH2 4.28Å; V418-W466 HydrophobicContact CG2-CZ2 4.01Å; V418-W466 HydrophobicContact CG2-CZ3 4.26Å; V418-L652 HydrophobicContact CG2-CD2 3.96Å
419	L	86.2	Confident	75.7	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-77.1	-25.7	-177.3	-67.6	-177.2	0	0	0	113.2	V384 L385 I415 K416 F425 R430	V384-L419 HydrophobicContact CB-CD1 4.22Å; V384-L419 HydrophobicContact CG1-CD1 3.97Å; L385-L419 HydrophobicContact CB-CB 4.3Å; L385-L419 HydrophobicContact CB-CD1 3.92Å; L385-L419 HydrophobicContact CD1-CB 4.11Å; L385-L419 HydrophobicContact CD2-CB 4.3Å; L385-L419 HydrophobicContact CG-CB 4.47Å; I415-L419 HydrophobicContact CG2-CD1 3.61Å; I415-L419 HydrophobicContact CG2-CG 4.03Å; I415-L419 VanDerWaalsContact O-CB 3.3Å; I415-L419 WeakPolarHBondContact O-CB 3.41Å; I415-L419 VanDerWaalsContact O-CG 3.28Å; I415-L419 WeakPolarHBondContact O-CG 3.24Å; I415-L419 PolarHBondContact O-N 2.63Å; K416-L419 PolarHBondContact O-N 3.29Å; L419-F425 HydrophobicContact CB-CE1 4.17Å; L419-F425 HydrophobicContact CD2-CE1 4.29Å; L419-F425 WeakPolarHBondContact O-CE1 3.45Å; L419-R430 HydrophobicContact CD2-CB 4.49Å; L419-R430 PolarHBondContact O-NH1 3.5Å
420	E	84.2	Confident	75.4	Confident	61 Å²	61	46.7 Å²	46.7	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-89.3	-14.8	178.2	-70.7	179.6	162.4	0	0	114.4	L385 R389 K416 H422 G423	L385-E420 HydrophobicContact CD1-CG 3.87Å; L385-E420 HydrophobicContact CD2-CG 3.83Å; L385-E420 HydrophobicContact CG-CG 4.49Å; R389-E420 IonicContact CZ-OE1 2.75Å; R389-E420 IonicContact NE-OE1 2.67Å; R389-E420 PolarHBondContact NE-OE1 3.08Å; R389-E420 IonicContact NH2-OE1 3.49Å; R389-E420 PolarHBondContact NH2-OE1 2.8Å; K416-E420 WeakPolarHBondContact CE-OE1 3.32Å; K416-E420 WeakPolarHBondContact CE-OE2 3.3Å; K416-E420 VanDerWaalsContact CG-CD 3.43Å; K416-E420 HydrophobicContact CG-CG 4.23Å; K416-E420 VanDerWaalsContact CG-OE2 3.25Å; K416-E420 WeakPolarHBondContact CG-OE2 2.84Å; K416-E420 VanDerWaalsContact O-CB 3.3Å; K416-E420 WeakPolarHBondContact O-CB 2.86Å; K416-E420 WeakPolarHBondContact O-CG 3.24Å; K416-E420 PolarHBondContact O-N 3.4Å; E420-H422 PolarHBondContact O-N 2.67Å; E420-G423 PolarHBondContact O-N 2.85Å
421	M	74.3	Confident	75.5	Confident	33 Å²	33	46.9 Å²	46.9	16%	0.163	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	138	-179.5	170.9	-150	-70	0	0	110.7	T417 G423 R430 L652	T417-M421 WeakPolarHBondContact O-CB 3.12Å; T417-M421 PolarHBondContact O-N 2.93Å; T417-M421 VanDerWaalsContact O-N 3.09Å; M421-G423 PolarHBondContact O-N 3.06Å; M421-R430 VanDerWaalsContact C-NH2 3.34Å; M421-R430 PolarHBondContact O-NH1 2.83Å; M421-R430 VanDerWaalsContact O-NH1 3.08Å; M421-R430 PolarHBondContact O-NH2 2.9Å; M421-R430 PolarHBondContact SD-NH2 3.17Å; M421-L652 HydrophobicContact CE-CD1 3.05Å; M421-L652 HydrophobicContact CE-CG 4.49Å
422	H	65.8	Low	75.7	Confident	84 Å²	84	44.6 Å²	44.6	39%	0.389	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	4.8	-172	-47.6	103.4	0	0	0	116.3	E420 H424 I428 R430 M646	E420-H422 PolarHBondContact O-N 2.67Å; H422-H424 PolarHBondContact O-N 2.77Å; H422-H424 PolarHBondContact O-ND1 2.77Å; H422-I428 HydrophobicContact CB-CD1 3.57Å; H422-I428 WeakPolarHBondContact ND1-CD1 3.09Å; H422-R430 PolarHBondContact ND1-NH2 2.81Å; H422-M646 PolarHBondContact NE2-O 3.18Å
423	G	60.2	Low	75.8	Confident	73 Å²	73	45.8 Å²	45.8	75%	0.753	27%	0.267	S	S	*	.	S	Bend	trans	77.1	-7.2	173.3	0	0	0	0	0	115.8	E420 M421	E420-G423 PolarHBondContact O-N 2.85Å; M421-G423 PolarHBondContact O-N 3.06Å
424	H	61.4	Low	76.2	Confident	110 Å²	110	43.2 Å²	43.2	51%	0.509	25%	0.254	S	S	.	.	S	Bend	trans	-155.7	163.4	178	60.5	-64	0	0	0	111.3	H422 S426 I428	H422-H424 PolarHBondContact O-N 2.77Å; H422-H424 PolarHBondContact O-ND1 2.77Å; H424-S426 VanDerWaalsContact CD2-CB 3.4Å; H424-S426 WeakPolarHBondContact CD2-CB 3.1Å; H424-I428 WeakPolarHBondContact O-CD1 2.85Å
425	F	61.1	Low	76.5	Confident	29 Å²	29	46.2 Å²	46.2	13%	0.127	27%	0.267	C	S	.	.	S	Bend	trans	-84.4	-6.3	179.6	-61.6	-68.9	0	0	0	114.6	P378 L381 Q382 L385 L419	P378-F425 HydrophobicContact CB-CB 3.82Å; P378-F425 HydrophobicContact CB-CD2 4.11Å; P378-F425 HydrophobicContact CB-CG 4.27Å; P378-F425 HydrophobicContact CG-CB 4.09Å; L381-F425 HydrophobicContact CB-CD1 3.82Å; L381-F425 HydrophobicContact CB-CE1 3.55Å; L381-F425 HydrophobicContact CB-CE2 4.47Å; L381-F425 HydrophobicContact CB-CG 4.42Å; L381-F425 HydrophobicContact CB-CZ 3.91Å; L381-F425 HydrophobicContact CD1-CD1 4Å; L381-F425 HydrophobicContact CD1-CE1 4.44Å; Q382-F425 HydrophobicContact CB-CE2 3.65Å; Q382-F425 HydrophobicContact CB-CZ 4.18Å; Q382-F425 HydrophobicContact CG-CE2 4.3Å; L385-F425 HydrophobicContact CB-CZ 4.5Å; L385-F425 HydrophobicContact CD2-CZ 4.06Å; L419-F425 HydrophobicContact CB-CE1 4.17Å; L419-F425 HydrophobicContact CD2-CE1 4.29Å; L419-F425 WeakPolarHBondContact O-CE1 3.45Å
426	S	48.3	Very low	76.6	Confident	85 Å²	85	49.6 Å²	49.6	59%	0.594	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	137.3	-175.2	-159.4	0	0	0	0	111	H424 I428	H424-S426 VanDerWaalsContact CD2-CB 3.4Å; H424-S426 WeakPolarHBondContact CD2-CB 3.1Å; S426-I428 PolarHBondContact O-N 3.07Å
427	G	48.8	Very low	76.4	Confident	78 Å²	78	48 Å²	48	80%	0.804	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	4.7	173.3	0	0	0	0	0	116.5
428	I	54.1	Low	75.9	Confident	29 Å²	29	53.4 Å²	53.4	15%	0.149	30%	0.297	C	S	.	.			trans	-125.5	137.4	-171.1	-53.5	146.4	0	0	0	111	H422 H424 S426 R430 E469	H422-I428 HydrophobicContact CB-CD1 3.57Å; H422-I428 WeakPolarHBondContact ND1-CD1 3.09Å; H424-I428 WeakPolarHBondContact O-CD1 2.85Å; S426-I428 PolarHBondContact O-N 3.07Å; I428-R430 HydrophobicContact CG2-CG 4.22Å; I428-R430 PolarHBondContact O-N 3.31Å; I428-E469 WeakPolarHBondContact CG2-OE1 3.38Å
429	N	67.9	Low	75.1	Confident	77 Å²	77	63.5 Å²	63.5	41%	0.412	34%	0.335	S	S	.	.			trans	-89.9	83.2	-173.3	-79.4	-58.3	0	0	0	111.9	E469	N429-E469 HydrophobicContact CB-CG 3.67Å; N429-E469 PolarHBondContact N-OE1 2.85Å
430	R	79.3	Confident	74	Confident	12 Å²	12	64.2 Å²	64.2	5%	0.045	34%	0.34	C	S	.	.			trans	-113.9	136.3	173.5	-62.2	168.3	-165.5	158	3	110.3	L381 V418 L419 M421 H422 I428 W466	L381-R430 HydrophobicContact CD1-CB 4.11Å; V418-R430 HydrophobicContact CG1-CG 4.46Å; V418-R430 WeakPolarHBondContact O-CD 3.4Å; V418-R430 PolarHBondContact O-NE 3.17Å; V418-R430 PolarHBondContact O-NH1 3.38Å; V418-R430 PolarHBondContact O-NH2 2.9Å; L419-R430 HydrophobicContact CD2-CB 4.49Å; L419-R430 PolarHBondContact O-NH1 3.5Å; M421-R430 VanDerWaalsContact C-NH2 3.34Å; M421-R430 PolarHBondContact O-NH1 2.83Å; M421-R430 VanDerWaalsContact O-NH1 3.08Å; M421-R430 PolarHBondContact O-NH2 2.9Å; M421-R430 PolarHBondContact SD-NH2 3.17Å; H422-R430 PolarHBondContact ND1-NH2 2.81Å; I428-R430 HydrophobicContact CG2-CG 4.22Å; I428-R430 PolarHBondContact O-N 3.31Å; R430-W466 HydrophobicContact CG-CB 4.19Å
431	K	87	Confident	72.8	Confident	81 Å²	81	69.8 Å²	69.8	35%	0.352	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.4	171.6	63.2	-174.8	166.6	-170.6	0	110.9	L375 K376 K465	L375-K431 WeakPolarHBondContact O-CA 3.27Å; K376-K431 HydrophobicContact CG-CB 4.11Å; K431-K465 HydrophobicContact CD-CB 4.36Å; K431-K465 HydrophobicContact CD-CD 4.24Å; K431-K465 HydrophobicContact CG-CB 3.71Å; K431-K465 HydrophobicContact CG-CD 4.28Å; K431-K465 HydrophobicContact CG-CG 4.43Å; K431-K465 PolarHBondContact N-O 3.01Å; K431-K465 PolarHBondContact O-N 3.48Å
432	V	93.2	Very high	71.7	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.5	172.3	179.4	0	0	0	0	107.4	L375 L381 V384 M434 V462 V464	L375-V432 HydrophobicContact CB-CB 4.33Å; L375-V432 PolarHBondContact N-O 2.85Å; L375-V432 PolarHBondContact O-N 3.37Å; L381-V432 HydrophobicContact CD2-CB 4.24Å; L381-V432 HydrophobicContact CD2-CG2 3.73Å; V384-V432 HydrophobicContact CG1-CG1 4.41Å; V384-V432 HydrophobicContact CG1-CG2 4.35Å; V384-V432 HydrophobicContact CG2-CG1 4.25Å; V432-M434 HydrophobicContact CG1-CE 3.89Å; V432-M434 HydrophobicContact CG1-CG 4.41Å; V432-V462 HydrophobicContact CG1-CG1 3.93Å; V432-V464 HydrophobicContact CG1-CG2 4.5Å; V432-V464 HydrophobicContact CG2-CG1 4.29Å; V432-V464 HydrophobicContact CG2-CG2 4.14Å
433	Q	93.8	Very high	70.6	Confident	26 Å²	26	72 Å²	72	12%	0.121	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.9	173.2	-50.8	-173.6	-61.4	0	0	108.7	L373 K374 V462 I463	L373-Q433 CarbonylContact O-C 3.58Å; L373-Q433 WeakPolarHBondContact O-CA 2.94Å; K374-Q433 HydrophobicContact CG-CG 4.09Å; Q433-V462 CarbonylContact O-C 3.55Å; Q433-I463 HydrophobicContact CB-CB 4.26Å; Q433-I463 PolarHBondContact N-O 3.37Å; Q433-I463 PolarHBondContact O-N 2.87Å
434	M	96.1	Very high	69.7	Low	0 Å²	0	79.5 Å²	79.5	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136	174.1	-54.2	-174.4	-179.9	0	0	108.2	F358 L361 F362 E372 L373 L375 V384 V432 L461 V462	F358-M434 HydrophobicContact CD1-CE 4.05Å; L361-M434 HydrophobicContact CD2-CE 3.83Å; F362-M434 HydrophobicContact CD2-CB 3.71Å; F362-M434 HydrophobicContact CD2-SD 4.34Å; F362-M434 HydrophobicContact CE2-CB 3.87Å; E372-M434 CarbonylContact C-O 3.51Å; E372-M434 VanDerWaalsContact CA-O 3.28Å; E372-M434 WeakPolarHBondContact CA-O 3.37Å; L373-M434 HydrophobicContact CB-CB 4.28Å; L373-M434 HydrophobicContact CD2-SD 4.35Å; L373-M434 PolarHBondContact N-O 3Å; L373-M434 PolarHBondContact O-N 3.22Å; L375-M434 HydrophobicContact CD1-CE 4.12Å; V384-M434 HydrophobicContact CG2-CE 3.94Å; V432-M434 HydrophobicContact CG1-CE 3.89Å; V432-M434 HydrophobicContact CG1-CG 4.41Å; M434-L461 WeakPolarHBondContact CA-O 3.32Å; M434-V462 HydrophobicContact CE-CG2 4.41Å; M434-V462 HydrophobicContact CG-CG2 4.19Å; M434-V462 HydrophobicContact SD-CG2 4.49Å
435	K	93.8	Very high	68.9	Low	88 Å²	88	84.7 Å²	84.7	38%	0.383	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.7	174.2	-65.5	-166.2	170.4	-153.5	0	109.7	E372 L460 L461	E372-K435 HydrophobicContact CB-CG 4.29Å; E372-K435 IonicContact OE2-NZ 2.8Å; K435-L460 WeakPolarHBondContact O-CA 2.76Å; K435-L461 HydrophobicContact CB-CB 4.39Å; K435-L461 PolarHBondContact N-O 3.49Å; K435-L461 PolarHBondContact O-N 2.92Å
436	Y	91.8	Very high	68	Low	71 Å²	71	86.8 Å²	86.8	28%	0.278	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.1	175.7	-177.1	-101.5	0	0	0	110.5	F359 F368 S371 E438 P458 L460	F359-Y436 HydrophobicContact CE1-CD2 4.38Å; F359-Y436 HydrophobicContact CE1-CE2 4.16Å; F368-Y436 HydrophobicContact CD1-CD2 4.26Å; F368-Y436 HydrophobicContact CD1-CE2 4.46Å; F368-Y436 AromaticContact CE1-CD2 3.76Å; F368-Y436 HydrophobicContact CE1-CD2 3.76Å; F368-Y436 AromaticContact CE1-CE2 3.76Å; F368-Y436 HydrophobicContact CE1-CE2 3.76Å; S371-Y436 PolarHBondContact O-N 3.09Å; Y436-E438 HydrophobicContact CD1-CG 4.44Å; Y436-E438 HydrophobicContact CE1-CG 3.65Å; Y436-P458 HydrophobicContact CE2-CB 3.84Å; Y436-P458 WeakPolarHBondContact OH-CB 3.34Å; Y436-L460 HydrophobicContact CD2-CD2 3.8Å; Y436-L460 HydrophobicContact CG-CD2 4.45Å
437	Q	85.6	Confident	67.6	Low	31 Å²	31	85.4 Å²	85.4	15%	0.145	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.8	175.7	-63.8	-174.6	-27.8	0	0	108.7	R439 C459	Q437-R439 PolarHBondContact O-N 3.34Å; Q437-C459 PolarHBondContact N-O 2.89Å; Q437-C459 PolarHBondContact O-N 2.86Å; Q437-C459 VanDerWaalsContact O-O 3.08Å
438	E	76.1	Confident	67.3	Low	150 Å²	150	84.9 Å²	84.9	70%	0.701	43%	0.426	S	S	*	.	S	Bend	trans	-62.5	-34.6	177.5	-69.4	175.3	-167.6	0	0	112.1	Y436	Y436-E438 HydrophobicContact CD1-CG 4.44Å; Y436-E438 HydrophobicContact CE1-CG 3.65Å
439	R	68.3	Low	67	Low	214 Å²	214	91.3 Å²	91.3	81%	0.808	46%	0.46	S	S	*	.	S	Bend	trans	-130.7	137.6	173.6	-70.3	180	176.2	171.2	-1.2	110	Q437 K441	Q437-R439 PolarHBondContact O-N 3.34Å; R439-K441 PolarHBondContact O-N 2.94Å
440	S	63.2	Low	65.9	Low	16 Å²	16	90.8 Å²	90.8	11%	0.112	46%	0.457	C	S	.	.			trans	-56.7	133.5	170.8	169.5	0	0	0	0	110.2	E352 C442	E352-S440 VanDerWaalsContact CD-OG 3.3Å; E352-S440 PolarHBondContact OE1-OG 2.83Å; E352-S440 WeakPolarHBondContact OE2-CB 3.49Å; E352-S440 PolarHBondContact OE2-OG 3.47Å; S440-C442 WeakPolarHBondContact OG-CB 3.27Å; S440-C442 PolarHBondContact OG-N 3.17Å
441	K	59.4	Low	64.4	Low	179 Å²	179	93.7 Å²	93.7	78%	0.778	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.1	170.3	-72.3	-168.4	176.9	-170.5	0	111.7	E352 R439 S443	E352-K441 PolarHBondContact OE1-N 2.8Å; R439-K441 PolarHBondContact O-N 2.94Å; K441-S443 VanDerWaalsContact C-N 3.27Å; K441-S443 PolarHBondContact O-N 3.47Å
442	C	49.9	Very low	62.6	Low	75 Å²	75	93.2 Å²	93.2	51%	0.507	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	20.8	-176.3	-70.2	0	0	0	0	114.5	E352 S440 R444	E352-C442 PolarHBondContact OE1-SG 3.36Å; S440-C442 WeakPolarHBondContact OG-CB 3.27Å; S440-C442 PolarHBondContact OG-N 3.17Å; C442-R444 PolarHBondContact O-N 2.94Å
443	S	42.5	Very low	60.6	Low	88 Å²	88	100.9 Å²	100.9	62%	0.615	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	4.9	-173.2	72.3	0	0	0	0	116.7	K441	K441-S443 VanDerWaalsContact C-N 3.27Å; K441-S443 PolarHBondContact O-N 3.47Å
444	R	43.3	Very low	58.5	Low	231 Å²	231	104 Å²	104	87%	0.872	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.7	-0.1	-176.7	-68.1	-168.6	-167.3	171.8	4.4	119.4	C442	C442-R444 PolarHBondContact O-N 2.94Å
445	R	43.9	Very low	56.5	Low	219 Å²	219	106.1 Å²	106.1	83%	0.826	55%	0.551	S	S	*	*	S	Bend	trans	-138.2	18.1	-170	-85.8	-167.5	-171.3	-172.6	1.9	119.5
446	G	41.5	Very low	54.7	Low	72 Å²	72	109.3 Å²	109.3	74%	0.742	57%	0.568	S	S	*	*	S	Bend	trans	173.4	9.1	169.5	0	0	0	0	0	120.6	G448	G446-G448 PolarHBondContact O-N 2.97Å
447	S	41.1	Very low	53.6	Low	56 Å²	56	107.1 Å²	107.1	39%	0.392	57%	0.567	S	S	.	*			trans	-87.3	88.2	167.3	51.9	0	0	0	0	108.5	D449	S447-D449 VanDerWaalsContact C-N 3.33Å; S447-D449 PolarHBondContact O-N 2.84Å
448	G	41.8	Very low	53.3	Low	68 Å²	68	108.5 Å²	108.5	70%	0.701	58%	0.578	S	S	*	*			trans	-68.1	-15.5	-171.6	0	0	0	0	0	116.8	G446	G446-G448 PolarHBondContact O-N 2.97Å
449	D	48.2	Very low	53.9	Low	163 Å²	163	101.4 Å²	101.4	87%	0.872	55%	0.545	S	S	*	.	S	Bend	trans	-148.2	16.2	-171	-76.1	-49.6	0	0	0	115	S447	S447-D449 VanDerWaalsContact C-N 3.33Å; S447-D449 PolarHBondContact O-N 2.84Å
450	L	45	Very low	55	Low	67 Å²	67	91.2 Å²	91.2	35%	0.351	51%	0.506	S	S	.	.	S	Bend	trans	-95.9	130.2	175.2	-70.1	173.1	0	0	0	110.2	T406 A452 L455	T406-L450 HydrophobicContact CG2-CD1 4.06Å; L450-A452 PolarHBondContact O-N 2.97Å; L450-L455 HydrophobicContact CB-CD1 4.41Å; L450-L455 HydrophobicContact CB-CG 4.43Å
451	P	47.4	Very low	56.4	Low	72 Å²	72	91.8 Å²	91.8	47%	0.468	51%	0.508	S	S	.	.			trans	-50.9	135.9	174.4	-23.9	31	0	0	0	110.7	E453 M454 L455	P451-E453 PolarHBondContact O-N 3.14Å; P451-M454 PolarHBondContact O-N 2.87Å; P451-L455 PolarHBondContact O-N 3.49Å
452	A	49.4	Very low	58.1	Low	71 Å²	71	83.3 Å²	83.3	59%	0.587	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.3	179.4	0	0	0	0	0	112.5	L450 L455	L450-A452 PolarHBondContact O-N 2.97Å; A452-L455 WeakPolarHBondContact O-CB 3.08Å; A452-L455 PolarHBondContact O-N 3.23Å
453	E	50.2	Low	60.2	Low	162 Å²	162	80.3 Å²	80.3	76%	0.757	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-42.9	176.7	-67.3	171.9	176.6	0	0	112.8	P451 L455 Q456	P451-E453 PolarHBondContact O-N 3.14Å; E453-L455 PolarHBondContact O-N 2.89Å; E453-Q456 PolarHBondContact O-N 3.03Å; E453-Q456 VanDerWaalsContact O-N 3.15Å
454	M	49.8	Very low	62.6	Low	92 Å²	92	76.2 Å²	76.2	45%	0.453	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-67	-23.3	175.4	-76.3	-170.8	76.2	0	0	112.6	R354 T406 P451 Q456	R354-M454 PolarHBondContact NH1-O 3.44Å; T406-M454 HydrophobicContact CG2-CE 4.49Å; P451-M454 PolarHBondContact O-N 2.87Å; M454-Q456 VanDerWaalsContact C-N 3.31Å
455	L	54.5	Low	64.8	Low	44 Å²	44	68 Å²	68	23%	0.23	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-77.5	-11.9	176.7	-73.6	160.8	0	0	0	113.2	R354 L450 P451 A452 E453 G457	R354-L455 PolarHBondContact NH1-O 2.72Å; R354-L455 PolarHBondContact NH2-O 3.15Å; L450-L455 HydrophobicContact CB-CD1 4.41Å; L450-L455 HydrophobicContact CB-CG 4.43Å; P451-L455 PolarHBondContact O-N 3.49Å; A452-L455 WeakPolarHBondContact O-CB 3.08Å; A452-L455 PolarHBondContact O-N 3.23Å; E453-L455 PolarHBondContact O-N 2.89Å; L455-G457 PolarHBondContact O-N 3.39Å
456	Q	56.7	Low	67	Low	155 Å²	155	59 Å²	59	72%	0.724	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-81.1	-6.1	-174.2	-75.1	-178.4	17.1	0	0	115.8	E453 M454	E453-Q456 PolarHBondContact O-N 3.03Å; E453-Q456 VanDerWaalsContact O-N 3.15Å; M454-Q456 VanDerWaalsContact C-N 3.31Å
457	G	66.9	Low	69.1	Low	25 Å²	25	56.3 Å²	56.3	26%	0.258	33%	0.331	S	S	.	.	S	Bend	trans	-80.5	165.5	178.9	0	0	0	0	0	115.3	R354 L455	R354-G457 PolarHBondContact NH1-O 3.29Å; L455-G457 PolarHBondContact O-N 3.39Å
458	P	81.2	Confident	71.3	Confident	60 Å²	60	53.8 Å²	53.8	39%	0.39	31%	0.314	S	S	.	.			trans	-60.8	150.1	171.2	28	-35.1	0	0	0	111.1	Y436	Y436-P458 HydrophobicContact CE2-CB 3.84Å; Y436-P458 WeakPolarHBondContact OH-CB 3.34Å
459	C	87	Confident	73.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.7	176.7	65.6	0	0	0	0	111.5	R354 Q437	R354-C459 HydrophobicContact CG-CB 3.98Å; Q437-C459 PolarHBondContact N-O 2.89Å; Q437-C459 PolarHBondContact O-N 2.86Å; Q437-C459 VanDerWaalsContact O-O 3.08Å
460	L	91.7	Very high	75.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131	170.6	-62.6	177.8	0	0	0	109.6	E352 V353 F358 F359 F362 K435 Y436 V462	E352-L460 CarbonylContact C-O 3.59Å; E352-L460 WeakPolarHBondContact CA-O 3.27Å; V353-L460 HydrophobicContact CG2-CB 3.71Å; V353-L460 PolarHBondContact N-O 2.92Å; V353-L460 PolarHBondContact O-N 3.17Å; F358-L460 HydrophobicContact CB-CD1 4.14Å; F359-L460 HydrophobicContact CD1-CD1 3.93Å; F359-L460 HydrophobicContact CD1-CD2 4.27Å; F359-L460 HydrophobicContact CD1-CG 3.94Å; F359-L460 HydrophobicContact CD2-CD1 4.5Å; F359-L460 HydrophobicContact CE1-CD1 4.19Å; F359-L460 HydrophobicContact CE1-CD2 3.98Å; F359-L460 HydrophobicContact CE1-CG 3.68Å; F359-L460 HydrophobicContact CE2-CG 4.47Å; F359-L460 HydrophobicContact CG-CD1 4.11Å; F359-L460 HydrophobicContact CG-CG 4.46Å; F359-L460 HydrophobicContact CZ-CG 3.98Å; F362-L460 HydrophobicContact CB-CD1 3.69Å; F362-L460 HydrophobicContact CD1-CD2 3.99Å; F362-L460 HydrophobicContact CD2-CD1 4.3Å; F362-L460 HydrophobicContact CD2-CD2 4.17Å; F362-L460 HydrophobicContact CE1-CD2 4.11Å; F362-L460 HydrophobicContact CE2-CD2 4.3Å; F362-L460 HydrophobicContact CG-CD1 3.96Å; F362-L460 HydrophobicContact CG-CD2 4.01Å; F362-L460 HydrophobicContact CZ-CD2 4.27Å; K435-L460 WeakPolarHBondContact O-CA 2.76Å; Y436-L460 HydrophobicContact CD2-CD2 3.8Å; Y436-L460 HydrophobicContact CG-CD2 4.45Å; L460-V462 PolarHBondContact O-N 3.42Å
461	L	93.2	Very high	77.6	Confident	29 Å²	29	41.2 Å²	41.2	15%	0.152	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	102.6	168.1	-178.9	67.1	0	0	0	109	K350 E352 M434 K435 I463	K350-L461 HydrophobicContact CB-CD1 4.26Å; E352-L461 HydrophobicContact CG-CD1 4.22Å; M434-L461 WeakPolarHBondContact CA-O 3.32Å; K435-L461 HydrophobicContact CB-CB 4.39Å; K435-L461 PolarHBondContact N-O 3.49Å; K435-L461 PolarHBondContact O-N 2.92Å; L461-I463 HydrophobicContact CD2-CD1 4.07Å; L461-I463 HydrophobicContact CD2-CG1 4.25Å; L461-I463 HydrophobicContact CG-CD1 4.35Å; L461-I463 HydrophobicContact CG-CG1 4Å
462	V	94.1	Very high	79.6	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.8	173	179.8	0	0	0	0	109.3	K350 M351 V353 F358 I415 V432 Q433 M434 L460 V464	K350-V462 WeakPolarHBondContact CA-O 3.25Å; M351-V462 HydrophobicContact CG-CB 4.07Å; M351-V462 PolarHBondContact N-O 3.04Å; M351-V462 PolarHBondContact O-N 3.16Å; V353-V462 HydrophobicContact CB-CG2 4.29Å; V353-V462 HydrophobicContact CG1-CB 4.28Å; V353-V462 HydrophobicContact CG1-CG2 3.72Å; V353-V462 HydrophobicContact CG2-CG2 3.5Å; F358-V462 HydrophobicContact CD1-CG2 4.34Å; F358-V462 HydrophobicContact CE1-CG2 4.45Å; I415-V462 HydrophobicContact CD1-CG1 4.5Å; V432-V462 HydrophobicContact CG1-CG1 3.93Å; Q433-V462 CarbonylContact O-C 3.55Å; M434-V462 HydrophobicContact CE-CG2 4.41Å; M434-V462 HydrophobicContact CG-CG2 4.19Å; M434-V462 HydrophobicContact SD-CG2 4.49Å; L460-V462 PolarHBondContact O-N 3.42Å; V462-V464 HydrophobicContact CG1-CG2 4.03Å
463	I	94.1	Very high	81.4	Confident	12 Å²	12	39.7 Å²	39.7	6%	0.062	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103.4	-179.3	-47.7	176.7	0	0	0	108	L349 K350 Q433 L461 K465	L349-I463 CarbonylContact O-C 3.59Å; L349-I463 VanDerWaalsContact O-CA 3.25Å; L349-I463 WeakPolarHBondContact O-CA 3.37Å; K350-I463 HydrophobicContact CG-CG1 4.22Å; K350-I463 HydrophobicContact CG-CG2 4.12Å; Q433-I463 HydrophobicContact CB-CB 4.26Å; Q433-I463 PolarHBondContact N-O 3.37Å; Q433-I463 PolarHBondContact O-N 2.87Å; L461-I463 HydrophobicContact CD2-CD1 4.07Å; L461-I463 HydrophobicContact CD2-CG1 4.25Å; L461-I463 HydrophobicContact CG-CD1 4.35Å; L461-I463 HydrophobicContact CG-CG1 4Å; I463-K465 HydrophobicContact CG2-CD 4.39Å; I463-K465 HydrophobicContact CG2-CG 4.05Å
464	V	93.2	Very high	83.4	Confident	1 Å²	1	32 Å²	32	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.1	174.9	-172.5	0	0	0	0	108.1	K348 L349 I415 V418 V432 V462 W466	K348-V464 CarbonylContact C-O 3.58Å; K348-V464 VanDerWaalsContact CA-O 3.26Å; K348-V464 WeakPolarHBondContact CA-O 3.49Å; L349-V464 PolarHBondContact N-O 3.39Å; L349-V464 PolarHBondContact O-N 3.27Å; I415-V464 HydrophobicContact CD1-CG2 3.79Å; I415-V464 HydrophobicContact CG1-CG2 3.8Å; I415-V464 HydrophobicContact CG2-CG2 4.25Å; V418-V464 HydrophobicContact CG1-CG1 4.19Å; V432-V464 HydrophobicContact CG1-CG2 4.5Å; V432-V464 HydrophobicContact CG2-CG1 4.29Å; V432-V464 HydrophobicContact CG2-CG2 4.14Å; V462-V464 HydrophobicContact CG1-CG2 4.03Å; V464-W466 HydrophobicContact CG1-CE3 4.28Å
465	K	90.7	Very high	85.2	Confident	60 Å²	60	30.7 Å²	30.7	26%	0.261	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.5	177.2	-59.7	171.6	170.8	171.4	0	108.9	Q347 K348 K431 I463	Q347-K465 WeakPolarHBondContact O-CA 3.48Å; K348-K465 HydrophobicContact CB-CG 3.81Å; K431-K465 HydrophobicContact CD-CB 4.36Å; K431-K465 HydrophobicContact CD-CD 4.24Å; K431-K465 HydrophobicContact CG-CB 3.71Å; K431-K465 HydrophobicContact CG-CD 4.28Å; K431-K465 HydrophobicContact CG-CG 4.43Å; K431-K465 PolarHBondContact N-O 3.01Å; K431-K465 PolarHBondContact O-N 3.48Å; I463-K465 HydrophobicContact CG2-CD 4.39Å; I463-K465 HydrophobicContact CG2-CG 4.05Å
466	W	89.2	Confident	86.9	Confident	28 Å²	28	32.9 Å²	32.9	11%	0.106	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	171	179.7	71.9	97.9	0	0	0	110.2	Q347 L349 Q414 V418 R430 V464	Q347-W466 HydrophobicContact CB-CD2 3.76Å; Q347-W466 HydrophobicContact CB-CE3 4.25Å; Q347-W466 HydrophobicContact CB-CG 4.32Å; Q347-W466 HydrophobicContact CB-CH2 3.91Å; Q347-W466 HydrophobicContact CB-CZ2 3.39Å; Q347-W466 HydrophobicContact CB-CZ3 4.32Å; Q347-W466 HydrophobicContact CG-CZ2 4.12Å; Q347-W466 PolarHBondContact N-O 2.86Å; Q347-W466 PolarHBondContact O-N 2.94Å; Q347-W466 VanDerWaalsContact O-O 3.12Å; L349-W466 HydrophobicContact CB-CH2 4.13Å; L349-W466 HydrophobicContact CB-CZ3 3.75Å; Q414-W466 VanDerWaalsContact NE2-CH2 3.34Å; V418-W466 HydrophobicContact CB-CD2 4.48Å; V418-W466 HydrophobicContact CG1-CB 3.72Å; V418-W466 HydrophobicContact CG1-CD2 3.81Å; V418-W466 HydrophobicContact CG1-CE3 4Å; V418-W466 HydrophobicContact CG1-CG 3.7Å; V418-W466 HydrophobicContact CG2-CD2 3.75Å; V418-W466 HydrophobicContact CG2-CE3 4.01Å; V418-W466 HydrophobicContact CG2-CG 4.23Å; V418-W466 HydrophobicContact CG2-CH2 4.28Å; V418-W466 HydrophobicContact CG2-CZ2 4.01Å; V418-W466 HydrophobicContact CG2-CZ3 4.26Å; R430-W466 HydrophobicContact CG-CB 4.19Å; V464-W466 HydrophobicContact CG1-CE3 4.28Å
467	G	86.6	Confident	88.4	Confident	17 Å²	17	27.2 Å²	27.2	18%	0.175	15%	0.152	C	C	.	.			trans	74.3	-173	-174.4	0	0	0	0	0	112.5	E469	G467-E469 VanDerWaalsContact C-N 3.29Å
468	G	87.5	Confident	89.5	Confident	3 Å²	3	26 Å²	26	3%	0.031	14%	0.14	C	C	.	.			trans	76.1	21.9	-167.9	0	0	0	0	0	112.9	T344 R525	T344-G468 WeakPolarHBondContact O-CA 3.09Å; T344-G468 PolarHBondContact O-N 3.25Å; T344-G468 PolarHBondContact OG1-N 3Å; T344-G468 VanDerWaalsContact OG1-N 3.09Å; G468-R525 VanDerWaalsContact O-CD 3.31Å; G468-R525 WeakPolarHBondContact O-CD 3.46Å; G468-R525 PolarHBondContact O-NH1 2.84Å
469	E	86.1	Confident	89.6	Confident	22 Å²	22	24.8 Å²	24.8	10%	0.103	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-85.8	142.3	178.7	-71.7	163.9	-157.1	0	0	110.1	R343 T344 I428 N429 G467 T471	R343-E469 CarbonylContact C-O 3.47Å; R343-E469 WeakPolarHBondContact CA-O 3.31Å; R343-E469 VanDerWaalsContact CB-O 3.27Å; R343-E469 WeakPolarHBondContact CB-O 3.49Å; T344-E469 PolarHBondContact N-O 3.15Å; T344-E469 PolarHBondContact OG1-N 2.93Å; T344-E469 VanDerWaalsContact OG1-N 3.07Å; I428-E469 WeakPolarHBondContact CG2-OE1 3.38Å; N429-E469 HydrophobicContact CB-CG 3.67Å; N429-E469 PolarHBondContact N-OE1 2.85Å; G467-E469 VanDerWaalsContact C-N 3.29Å; E469-T471 PolarHBondContact O-N 3.18Å
470	L	90	Very high	89.4	Confident	12 Å²	12	27.8 Å²	27.8	6%	0.063	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-63.1	123.9	174.9	-164.8	73.4	0	0	0	109.2	D342 K475 R525 M528 T529	D342-L470 WeakPolarHBondContact O-CD1 3.44Å; L470-K475 HydrophobicContact CD2-CG 3.66Å; L470-K475 HydrophobicContact CG-CG 4.24Å; L470-R525 HydrophobicContact CB-CB 3.87Å; L470-R525 HydrophobicContact CD1-CB 4.35Å; L470-M528 HydrophobicContact CD2-CB 3.76Å; L470-T529 VanDerWaalsContact CD1-OG1 3.3Å; L470-T529 WeakPolarHBondContact CD1-OG1 3.28Å
471	T	90.9	Very high	88.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-73.2	171.5	177.3	63	0	0	0	0	110.7	D342 T344 E469 A473 G474 K475 Y645 M646 Y688	D342-T471 PolarHBondContact O-N 2.91Å; D342-T471 PolarHBondContact O-OG1 3.09Å; D342-T471 WeakPolarHBondContact OD2-CB 3.46Å; D342-T471 VanDerWaalsContact OD2-CG2 3.27Å; D342-T471 WeakPolarHBondContact OD2-CG2 3.39Å; D342-T471 PolarHBondContact OD2-OG1 2.89Å; T344-T471 HydrophobicContact CG2-CG2 4.01Å; E469-T471 PolarHBondContact O-N 3.18Å; T471-A473 VanDerWaalsContact C-N 3.29Å; T471-A473 PolarHBondContact OG1-N 2.72Å; T471-G474 PolarHBondContact O-N 2.69Å; T471-G474 PolarHBondContact OG1-N 2.81Å; T471-K475 WeakPolarHBondContact O-CG 3.35Å; T471-K475 PolarHBondContact O-N 3.41Å; T471-K475 VanDerWaalsContact O-N 3.1Å; T471-Y645 HydrophobicContact CG2-CE1 3.99Å; T471-M646 HydrophobicContact CG2-SD 3.97Å; T471-Y688 HydrophobicContact CG2-CE2 4.23Å
472	N	88.3	Confident	88.1	Confident	81 Å²	81	26.5 Å²	26.5	43%	0.433	14%	0.136	S	C	.	.	H	α-helix	trans	-67.3	-35.1	170.6	-70.6	-26.4	0	0	0	111.2	G474 K475 I476 Y645	N472-G474 VanDerWaalsContact C-N 3.33Å; N472-G474 PolarHBondContact O-N 2.84Å; N472-K475 PolarHBondContact O-N 2.79Å; N472-K475 PolarHBondContact OD1-NZ 2.87Å; N472-I476 WeakPolarHBondContact O-CG1 3.43Å; N472-I476 PolarHBondContact O-N 2.66Å; N472-Y645 PolarHBondContact N-OH 2.88Å
473	A	88.5	Confident	87.1	Confident	30 Å²	30	31.6 Å²	31.6	25%	0.248	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-44.1	170.9	0	0	0	0	0	111.2	T471 K475 I476 Q477	T471-A473 VanDerWaalsContact C-N 3.29Å; T471-A473 PolarHBondContact OG1-N 2.72Å; A473-K475 VanDerWaalsContact C-N 3.33Å; A473-K475 PolarHBondContact O-N 2.69Å; A473-I476 PolarHBondContact O-N 2.99Å; A473-I476 VanDerWaalsContact O-N 3.12Å; A473-Q477 WeakPolarHBondContact O-CB 3.43Å; A473-Q477 VanDerWaalsContact O-CG 3.28Å; A473-Q477 WeakPolarHBondContact O-CG 3.49Å; A473-Q477 PolarHBondContact O-N 3.12Å
474	G	90.8	Very high	85.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-34.8	176.6	0	0	0	0	0	114	T471 N472 A478	T471-G474 PolarHBondContact O-N 2.69Å; T471-G474 PolarHBondContact OG1-N 2.81Å; N472-G474 VanDerWaalsContact C-N 3.33Å; N472-G474 PolarHBondContact O-N 2.84Å; G474-A478 WeakPolarHBondContact O-CB 3.46Å; G474-A478 PolarHBondContact O-N 3.01Å; G474-A478 VanDerWaalsContact O-N 3.15Å
475	K	88.3	Confident	83.2	Confident	64 Å²	64	35.8 Å²	35.8	28%	0.278	19%	0.185	S	C	.	.	H	α-helix	trans	-66.3	-43.7	171.7	-66.4	169.7	-165.4	162.3	0	111.4	L470 T471 N472 A473 A478 E479 L544	L470-K475 HydrophobicContact CD2-CG 3.66Å; L470-K475 HydrophobicContact CG-CG 4.24Å; T471-K475 WeakPolarHBondContact O-CG 3.35Å; T471-K475 PolarHBondContact O-N 3.41Å; T471-K475 VanDerWaalsContact O-N 3.1Å; N472-K475 PolarHBondContact O-N 2.79Å; N472-K475 PolarHBondContact OD1-NZ 2.87Å; A473-K475 VanDerWaalsContact C-N 3.33Å; A473-K475 PolarHBondContact O-N 2.69Å; K475-A478 PolarHBondContact O-N 3.26Å; K475-E479 WeakPolarHBondContact O-CB 3.35Å; K475-E479 PolarHBondContact O-N 3.19Å; K475-L544 HydrophobicContact CD-CD1 4.03Å; K475-L544 HydrophobicContact CG-CD1 3.98Å
476	I	89.2	Confident	80.8	Confident	90 Å²	90	33.2 Å²	33.2	46%	0.462	17%	0.174	S	C	.	.	H	α-helix	trans	-64.5	-49.2	178.7	-67.5	165.9	0	0	0	109.8	N472 A473 A478 E479 E480	N472-I476 WeakPolarHBondContact O-CG1 3.43Å; N472-I476 PolarHBondContact O-N 2.66Å; A473-I476 PolarHBondContact O-N 2.99Å; A473-I476 VanDerWaalsContact O-N 3.12Å; I476-A478 VanDerWaalsContact C-N 3.27Å; I476-A478 PolarHBondContact O-N 3.15Å; I476-E479 PolarHBondContact O-N 3.21Å; I476-E479 VanDerWaalsContact O-N 3.17Å; I476-E480 HydrophobicContact CG2-CG 3.93Å; I476-E480 WeakPolarHBondContact CG2-OE1 3.36Å; I476-E480 WeakPolarHBondContact O-CB 3.4Å; I476-E480 WeakPolarHBondContact O-CG 3.17Å; I476-E480 PolarHBondContact O-N 2.85Å
477	Q	88.7	Confident	78.7	Confident	36 Å²	36	32.2 Å²	32.2	17%	0.168	17%	0.17	C	C	.	.	H	α-helix	trans	-51.4	-45.7	175	-73.1	169.8	-7.7	0	0	112	A473 L481 M829	A473-Q477 WeakPolarHBondContact O-CB 3.43Å; A473-Q477 VanDerWaalsContact O-CG 3.28Å; A473-Q477 WeakPolarHBondContact O-CG 3.49Å; A473-Q477 PolarHBondContact O-N 3.12Å; Q477-L481 VanDerWaalsContact O-CB 3.32Å; Q477-L481 WeakPolarHBondContact O-CB 3.47Å; Q477-L481 PolarHBondContact O-N 2.86Å; Q477-M829 HydrophobicContact CB-CG 3.84Å
478	A	89.7	Confident	76.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-46.9	178.9	0	0	0	0	0	112.6	G474 K475 I476 E480 L481 G482 T529 A532 F533 M829	G474-A478 WeakPolarHBondContact O-CB 3.46Å; G474-A478 PolarHBondContact O-N 3.01Å; G474-A478 VanDerWaalsContact O-N 3.15Å; K475-A478 PolarHBondContact O-N 3.26Å; I476-A478 VanDerWaalsContact C-N 3.27Å; I476-A478 PolarHBondContact O-N 3.15Å; A478-E480 VanDerWaalsContact C-N 3.32Å; A478-E480 PolarHBondContact O-N 2.98Å; A478-L481 PolarHBondContact O-N 2.99Å; A478-G482 PolarHBondContact O-N 3.01Å; A478-T529 HydrophobicContact CB-CG2 3.66Å; A478-A532 HydrophobicContact CB-CB 3.71Å; A478-F533 HydrophobicContact CB-CB 4.45Å; A478-F533 VanDerWaalsContact O-CA 3.31Å; A478-F533 WeakPolarHBondContact O-CA 3.38Å; A478-M829 HydrophobicContact CB-CE 4.03Å; A478-M829 HydrophobicContact CB-SD 3.97Å
479	E	84.5	Confident	74.2	Confident	35 Å²	35	33.4 Å²	33.4	16%	0.164	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-41.3	176.9	-173.3	177.5	144.9	0	0	111.2	K475 I476 G482 K483 A532 K535 G536	K475-E479 WeakPolarHBondContact O-CB 3.35Å; K475-E479 PolarHBondContact O-N 3.19Å; I476-E479 PolarHBondContact O-N 3.21Å; I476-E479 VanDerWaalsContact O-N 3.17Å; E479-G482 PolarHBondContact O-N 2.58Å; E479-K483 HydrophobicContact CG-CD 4.34Å; E479-K483 WeakPolarHBondContact O-CB 3.15Å; E479-K483 VanDerWaalsContact O-CG 3.31Å; E479-K483 WeakPolarHBondContact O-CG 3.41Å; E479-K483 PolarHBondContact O-N 3.45Å; E479-K483 WeakPolarHBondContact OE1-CE 3.49Å; E479-K483 IonicContact OE1-NZ 2.73Å; E479-K483 PolarHBondContact OE1-NZ 3.04Å; E479-A532 VanDerWaalsContact CA-O 3.29Å; E479-A532 WeakPolarHBondContact CA-O 3.45Å; E479-K535 IonicContact OE1-NZ 2.75Å; E479-K535 WeakPolarHBondContact OE2-CD 3.21Å; E479-K535 IonicContact OE2-NZ 3.97Å; E479-K535 PolarHBondContact OE2-NZ 2.94Å; E479-G536 WeakPolarHBondContact O-CA 3.4Å
480	E	81.9	Confident	72.1	Confident	62 Å²	62	33.2 Å²	33.2	29%	0.29	17%	0.174	S	C	.	.	H	α-helix	trans	-69.7	-39.6	177.5	-77.3	-173.7	171.5	0	0	112.8	I476 A478 G482 K483 H484 L880	I476-E480 HydrophobicContact CG2-CG 3.93Å; I476-E480 WeakPolarHBondContact CG2-OE1 3.36Å; I476-E480 WeakPolarHBondContact O-CB 3.4Å; I476-E480 WeakPolarHBondContact O-CG 3.17Å; I476-E480 PolarHBondContact O-N 2.85Å; A478-E480 VanDerWaalsContact C-N 3.32Å; A478-E480 PolarHBondContact O-N 2.98Å; E480-G482 PolarHBondContact O-N 3.4Å; E480-K483 PolarHBondContact O-N 3.03Å; E480-H484 WeakPolarHBondContact O-CA 3.39Å; E480-H484 VanDerWaalsContact O-CB 3.25Å; E480-H484 WeakPolarHBondContact O-CB 3.37Å; E480-H484 PolarHBondContact O-N 3.31Å; E480-H484 PolarHBondContact O-ND1 3.03Å; E480-H484 VanDerWaalsContact O-ND1 3.07Å; E480-L880 HydrophobicContact CB-CD2 4.07Å
481	L	80.8	Confident	69.9	Low	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-33	172.4	-172.5	69.8	0	0	0	111.4	I338 Q477 A478 H484 N486 F533 M829	I338-L481 HydrophobicContact CG2-CD2 4.29Å; Q477-L481 VanDerWaalsContact O-CB 3.32Å; Q477-L481 WeakPolarHBondContact O-CB 3.47Å; Q477-L481 PolarHBondContact O-N 2.86Å; A478-L481 PolarHBondContact O-N 2.99Å; L481-H484 VanDerWaalsContact O-O 3.12Å; L481-N486 HydrophobicContact CD1-CB 4.09Å; L481-F533 HydrophobicContact CB-CD2 4.23Å; L481-F533 HydrophobicContact CB-CE2 4.15Å; L481-F533 HydrophobicContact CD2-CD2 4.18Å; L481-F533 HydrophobicContact CD2-CE2 3.8Å; L481-F533 HydrophobicContact CG-CD2 4.32Å; L481-F533 HydrophobicContact CG-CE2 3.81Å; L481-M829 HydrophobicContact CB-CE 4.12Å; L481-M829 HydrophobicContact CD2-CB 4.21Å; L481-M829 HydrophobicContact CD2-CE 3.41Å; L481-M829 VanDerWaalsContact CD2-CE 3.41Å; L481-M829 HydrophobicContact CG-CE 4.4Å
482	G	77.8	Confident	67.7	Low	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69	-40.9	171.4	0	0	0	0	0	112.7	A478 E479 E480 G536 L537	A478-G482 PolarHBondContact O-N 3.01Å; E479-G482 PolarHBondContact O-N 2.58Å; E480-G482 PolarHBondContact O-N 3.4Å; G482-G536 VanDerWaalsContact C-C 3.44Å; G482-G536 CarbonylContact O-C 3.57Å; G482-L537 VanDerWaalsContact O-CA 3.24Å; G482-L537 WeakPolarHBondContact O-CA 3.49Å; G482-L537 PolarHBondContact O-N 2.81Å
483	K	71.7	Confident	65.3	Low	109 Å²	109	31.3 Å²	31.3	47%	0.474	16%	0.162	S	C	.	.	H	α-helix	trans	-71.2	-57.9	179.7	-77.3	174	-179	166.8	0	112.2	E479 E480 G485	E479-K483 HydrophobicContact CG-CD 4.34Å; E479-K483 WeakPolarHBondContact O-CB 3.15Å; E479-K483 VanDerWaalsContact O-CG 3.31Å; E479-K483 WeakPolarHBondContact O-CG 3.41Å; E479-K483 PolarHBondContact O-N 3.45Å; E479-K483 WeakPolarHBondContact OE1-CE 3.49Å; E479-K483 IonicContact OE1-NZ 2.73Å; E479-K483 PolarHBondContact OE1-NZ 3.04Å; E480-K483 PolarHBondContact O-N 3.03Å; K483-G485 PolarHBondContact O-N 3.38Å
484	H	59.8	Low	62.9	Low	74 Å²	74	32 Å²	32	34%	0.343	17%	0.168	S	C	.	.	S	Bend	trans	-65.6	128.9	-177.7	-72.4	88.4	0	0	0	107.9	E480 L481 N486 F879 L880	E480-H484 WeakPolarHBondContact O-CA 3.39Å; E480-H484 VanDerWaalsContact O-CB 3.25Å; E480-H484 WeakPolarHBondContact O-CB 3.37Å; E480-H484 PolarHBondContact O-N 3.31Å; E480-H484 PolarHBondContact O-ND1 3.03Å; E480-H484 VanDerWaalsContact O-ND1 3.07Å; L481-H484 VanDerWaalsContact O-O 3.12Å; H484-N486 PolarHBondContact O-N 2.88Å; H484-F879 VanDerWaalsContact CB-O 3.32Å; H484-F879 WeakPolarHBondContact CB-O 3.48Å; H484-F879 PolarHBondContact CD2-O 3.42Å; H484-L880 HydrophobicContact CB-CG 4.29Å; H484-L880 VanDerWaalsContact CE1-CD2 3.49Å; H484-L880 WeakPolarHBondContact CE1-CD2 3.49Å; H484-L880 WeakPolarHBondContact ND1-CD2 3.27Å
485	G	45.4	Very low	60.2	Low	26 Å²	26	40.4 Å²	40.4	27%	0.268	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	28.7	-170.1	0	0	0	0	0	114.5	K483 F487 K488 S489	K483-G485 PolarHBondContact O-N 3.38Å; G485-F487 PolarHBondContact O-N 3.07Å; G485-K488 CarbonylContact O-C 3.43Å; G485-K488 PolarHBondContact O-N 2.82Å; G485-K488 VanDerWaalsContact O-N 3.11Å; G485-S489 WeakPolarHBondContact O-CA 3.28Å; G485-S489 WeakPolarHBondContact O-CB 3.25Å; G485-S489 PolarHBondContact O-N 2.89Å
486	N	41.8	Very low	57.7	Low	7 Å²	7	39.9 Å²	39.9	4%	0.037	21%	0.21	C	C	.	.	I	π-helix	trans	-55.2	-48.7	160.5	-125.1	-31.7	0	0	0	109.3	L481 H484 K488 V490 F879 C886	L481-N486 HydrophobicContact CD1-CB 4.09Å; H484-N486 PolarHBondContact O-N 2.88Å; N486-K488 VanDerWaalsContact C-N 3.31Å; N486-K488 PolarHBondContact O-N 2.83Å; N486-V490 WeakPolarHBondContact O-CA 3.46Å; N486-V490 WeakPolarHBondContact O-CB 3.04Å; N486-V490 VanDerWaalsContact O-CG2 3.27Å; N486-V490 WeakPolarHBondContact O-CG2 3.32Å; N486-V490 PolarHBondContact O-N 3.18Å; N486-V490 VanDerWaalsContact OD1-CG2 3.31Å; N486-V490 WeakPolarHBondContact OD1-CG2 3.47Å; N486-F879 HydrophobicContact CB-CD1 3.75Å; N486-F879 HydrophobicContact CB-CE1 4.05Å; N486-F879 HydrophobicContact CB-CG 4.21Å; N486-F879 VanDerWaalsContact ND2-CB 3.27Å; N486-F879 WeakPolarHBondContact ND2-CB 3.42Å; N486-F879 WeakPolarHBondContact ND2-CD1 3.5Å; N486-F879 VanDerWaalsContact ND2-CD2 3.34Å; N486-F879 WeakPolarHBondContact ND2-CD2 3.45Å; N486-F879 WeakPolarHBondContact ND2-CG 3.33Å; N486-F879 WeakPolarHBondContact OD1-CD1 3.33Å; N486-F879 WeakPolarHBondContact OD1-CD2 3.44Å; N486-F879 WeakPolarHBondContact OD1-CE1 3.39Å; N486-F879 VanDerWaalsContact OD1-CE2 3.24Å; N486-F879 WeakPolarHBondContact OD1-CE2 3.23Å; N486-F879 WeakPolarHBondContact OD1-CG 3.46Å; N486-F879 WeakPolarHBondContact OD1-CZ 3.35Å; N486-C886 PolarHBondContact OD1-SG 2.96Å
487	F	43.9	Very low	54.9	Low	6 Å²	6	43.7 Å²	43.7	3%	0.026	22%	0.224	C	C	.	.	I	π-helix	trans	-77.7	-2.6	172.2	-94.6	-98.1	0	0	0	115.7	A336 I338 G485 L491 F533 L537 L784 V833	A336-F487 HydrophobicContact CB-CE1 3.53Å; A336-F487 HydrophobicContact CB-CE2 4.46Å; A336-F487 HydrophobicContact CB-CZ 3.23Å; I338-F487 HydrophobicContact CD1-CE2 3.84Å; I338-F487 HydrophobicContact CD1-CZ 3.6Å; I338-F487 HydrophobicContact CG1-CE2 4.48Å; I338-F487 HydrophobicContact CG1-CZ 4.22Å; G485-F487 PolarHBondContact O-N 3.07Å; F487-L491 HydrophobicContact CB-CD1 4.5Å; F487-L491 HydrophobicContact CD1-CD1 3.74Å; F487-L491 HydrophobicContact CD1-CG 4.31Å; F487-L491 HydrophobicContact CE1-CD1 4.47Å; F487-L491 WeakPolarHBondContact O-CB 3.41Å; F487-L491 WeakPolarHBondContact O-CD1 3.45Å; F487-L491 WeakPolarHBondContact O-CG 3.29Å; F487-F533 HydrophobicContact CB-CZ 4.23Å; F487-F533 AromaticContact CD1-CZ 3.99Å; F487-F533 HydrophobicContact CD1-CZ 3.99Å; F487-F533 AromaticContact CD2-CE2 3.87Å; F487-F533 HydrophobicContact CD2-CE2 3.87Å; F487-F533 AromaticContact CD2-CZ 3.5Å; F487-F533 HydrophobicContact CD2-CZ 3.5Å; F487-F533 VanDerWaalsContact CD2-CZ 3.5Å; F487-F533 HydrophobicContact CE1-CZ 4.22Å; F487-F533 AromaticContact CE2-CE2 3.96Å; F487-F533 HydrophobicContact CE2-CE2 3.96Å; F487-F533 AromaticContact CE2-CZ 3.7Å; F487-F533 HydrophobicContact CE2-CZ 3.7Å; F487-F533 HydrophobicContact CG-CE2 4.42Å; F487-F533 AromaticContact CG-CZ 3.63Å; F487-F533 HydrophobicContact CG-CZ 3.63Å; F487-F533 HydrophobicContact CZ-CZ 4.04Å; F487-L537 HydrophobicContact CB-CD1 4.12Å; F487-L784 HydrophobicContact CD1-CD2 4.21Å; F487-L784 HydrophobicContact CE1-CD2 3.4Å; F487-L784 VanDerWaalsContact CE1-CD2 3.4Å; F487-L784 HydrophobicContact CZ-CD2 4.06Å; F487-V833 HydrophobicContact CE2-CG2 4.4Å; F487-V833 HydrophobicContact CZ-CG2 4.12Å
488	K	42.1	Very low	52.3	Low	19 Å²	19	49.2 Å²	49.2	8%	0.083	25%	0.248	C	C	.	.	I	π-helix	trans	-112.1	-48.3	175.4	-69.5	179.6	-178.8	164.6	0	111.9	G485 N486 Y492 L537	G485-K488 CarbonylContact O-C 3.43Å; G485-K488 PolarHBondContact O-N 2.82Å; G485-K488 VanDerWaalsContact O-N 3.11Å; N486-K488 VanDerWaalsContact C-N 3.31Å; N486-K488 PolarHBondContact O-N 2.83Å; K488-Y492 VanDerWaalsContact O-CA 3.28Å; K488-Y492 WeakPolarHBondContact O-CA 3.4Å; K488-Y492 WeakPolarHBondContact O-CB 3.42Å; K488-Y492 WeakPolarHBondContact O-CD2 3.32Å; K488-Y492 PolarHBondContact O-N 2.99Å; K488-L537 WeakPolarHBondContact CE-O 3.17Å; K488-L537 PolarHBondContact NZ-O 3.4Å; K488-L537 VanDerWaalsContact NZ-O 3.09Å
489	S	39.1	Very low	49.7	Very low	26 Å²	26	51.4 Å²	51.4	18%	0.182	26%	0.257	C	S	.	.	I	π-helix	trans	-68.7	-42.5	172	-170.5	0	0	0	0	114.1	G485 Y492 N493 A494	G485-S489 WeakPolarHBondContact O-CA 3.28Å; G485-S489 WeakPolarHBondContact O-CB 3.25Å; G485-S489 PolarHBondContact O-N 2.89Å; S489-Y492 CarbonylContact O-C 3.59Å; S489-N493 CarbonylContact O-C 3.57Å; S489-N493 VanDerWaalsContact O-C 3.25Å; S489-N493 WeakPolarHBondContact O-CA 3.36Å; S489-N493 PolarHBondContact O-N 3.45Å; S489-A494 PolarHBondContact O-N 3.45Å; S489-A494 WeakPolarHBondContact OG-CA 3.21Å; S489-A494 WeakPolarHBondContact OG-CB 3.34Å; S489-A494 PolarHBondContact OG-N 3.37Å
490	V	41.1	Very low	47.3	Very low	19 Å²	19	56.8 Å²	56.8	12%	0.115	29%	0.287	C	S	.	.	I	π-helix	trans	-71.6	-42.8	174	-178.6	0	0	0	0	109.9	N486 Y492 M835 H855 F879	N486-V490 WeakPolarHBondContact O-CA 3.46Å; N486-V490 WeakPolarHBondContact O-CB 3.04Å; N486-V490 VanDerWaalsContact O-CG2 3.27Å; N486-V490 WeakPolarHBondContact O-CG2 3.32Å; N486-V490 PolarHBondContact O-N 3.18Å; N486-V490 VanDerWaalsContact OD1-CG2 3.31Å; N486-V490 WeakPolarHBondContact OD1-CG2 3.47Å; V490-Y492 VanDerWaalsContact C-N 3.29Å; V490-Y492 PolarHBondContact O-N 3.42Å; V490-M835 HydrophobicContact CG1-CE 3.57Å; V490-M835 HydrophobicContact CG1-SD 4.21Å; V490-M835 WeakPolarHBondContact O-CE 3.33Å; V490-H855 HydrophobicContact CG1-CB 4.5Å; V490-F879 HydrophobicContact CG2-CE1 3.75Å; V490-F879 HydrophobicContact CG2-CZ 3.47Å; V490-F879 VanDerWaalsContact CG2-CZ 3.47Å
491	L	43.7	Very low	45.3	Very low	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-30.2	176.8	-59.5	-168.5	0	0	0	113.4	L331 V334 F487 V833 M835	L331-L491 WeakPolarHBondContact CD2-O 3.42Å; V334-L491 HydrophobicContact CB-CD1 4.11Å; V334-L491 HydrophobicContact CB-CD2 3.98Å; V334-L491 HydrophobicContact CG1-CD1 3.56Å; V334-L491 HydrophobicContact CG1-CD2 3.17Å; V334-L491 HydrophobicContact CG1-CG 3.99Å; V334-L491 HydrophobicContact CG2-CB 4.39Å; V334-L491 HydrophobicContact CG2-CD1 3.91Å; V334-L491 HydrophobicContact CG2-CD2 3.62Å; V334-L491 HydrophobicContact CG2-CG 4.16Å; F487-L491 HydrophobicContact CB-CD1 4.5Å; F487-L491 HydrophobicContact CD1-CD1 3.74Å; F487-L491 HydrophobicContact CD1-CG 4.31Å; F487-L491 HydrophobicContact CE1-CD1 4.47Å; F487-L491 WeakPolarHBondContact O-CB 3.41Å; F487-L491 WeakPolarHBondContact O-CD1 3.45Å; F487-L491 WeakPolarHBondContact O-CG 3.29Å; L491-V833 HydrophobicContact CD2-CG1 3.79Å; L491-M835 HydrophobicContact CD2-CG 3.94Å; L491-M835 HydrophobicContact CD2-SD 3.57Å; L491-M835 VanDerWaalsContact CD2-SD 3.57Å
492	Y	44.6	Very low	43.3	Very low	14 Å²	14	58.4 Å²	58.4	6%	0.055	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	47.9	-170.7	-51	-82.5	0	0	0	112.2	P318 L331 K488 S489 V490 F505 H514 V780	P318-Y492 HydrophobicContact CB-CD1 4.18Å; P318-Y492 HydrophobicContact CB-CE1 3.87Å; L331-Y492 HydrophobicContact CD2-CD1 3.76Å; L331-Y492 HydrophobicContact CD2-CE1 3.25Å; K488-Y492 VanDerWaalsContact O-CA 3.28Å; K488-Y492 WeakPolarHBondContact O-CA 3.4Å; K488-Y492 WeakPolarHBondContact O-CB 3.42Å; K488-Y492 WeakPolarHBondContact O-CD2 3.32Å; K488-Y492 PolarHBondContact O-N 2.99Å; S489-Y492 CarbonylContact O-C 3.59Å; V490-Y492 VanDerWaalsContact C-N 3.29Å; V490-Y492 PolarHBondContact O-N 3.42Å; Y492-F505 HydrophobicContact CE2-CE2 4.2Å; Y492-H514 PolarHBondContact OH-CE1 3.5Å; Y492-V780 HydrophobicContact CE1-CG2 4.21Å; Y492-V780 WeakPolarHBondContact OH-CG1 3.28Å
493	N	37.1	Very low	41.8	Very low	37 Å²	37	60 Å²	60	20%	0.198	31%	0.314	C	S	.	.			trans	44.5	133.5	176.6	-103.7	-39.6	0	0	0	119.4	V321 A322 S489 H495 C496	V321-N493 HydrophobicContact CG1-CB 4.08Å; V321-N493 WeakPolarHBondContact CG1-ND2 3.02Å; A322-N493 PolarHBondContact N-ND2 3.23Å; A322-N493 VanDerWaalsContact N-ND2 3.19Å; A322-N493 PolarHBondContact O-ND2 2.75Å; S489-N493 CarbonylContact O-C 3.57Å; S489-N493 VanDerWaalsContact O-C 3.25Å; S489-N493 WeakPolarHBondContact O-CA 3.36Å; S489-N493 PolarHBondContact O-N 3.45Å; N493-H495 PolarHBondContact O-N 3.26Å; N493-H495 VanDerWaalsContact O-N 3.07Å; N493-C496 PolarHBondContact O-N 3.05Å
494	A	38.1	Very low	40.9	Very low	44 Å²	44	54.8 Å²	54.8	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.3	178.7	0	0	0	0	0	116.3	S489 C496 V877	S489-A494 PolarHBondContact O-N 3.45Å; S489-A494 WeakPolarHBondContact OG-CA 3.21Å; S489-A494 WeakPolarHBondContact OG-CB 3.34Å; S489-A494 PolarHBondContact OG-N 3.37Å; A494-C496 PolarHBondContact O-N 3.06Å; A494-V877 HydrophobicContact CB-CG1 4.23Å; A494-V877 HydrophobicContact CB-CG2 3.97Å
495	H	35.9	Very low	40.9	Very low	178 Å²	178	51.7 Å²	51.7	82%	0.824	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-11	179.1	-79.5	-73.9	0	0	0	114	N493 F497	N493-H495 PolarHBondContact O-N 3.26Å; N493-H495 VanDerWaalsContact O-N 3.07Å; H495-F497 PolarHBondContact O-N 3.24Å
496	C	34.2	Very low	41.5	Very low	52 Å²	52	51 Å²	51	35%	0.351	27%	0.267	S	S	.	.			trans	-83	72.8	169.3	-87.7	0	0	0	0	110.6	N493 A494 F498 F499	N493-C496 PolarHBondContact O-N 3.05Å; A494-C496 PolarHBondContact O-N 3.06Å; C496-F498 PolarHBondContact O-N 3.07Å; C496-F499 HydrophobicContact CB-CD2 4.29Å; C496-F499 PolarHBondContact O-N 3.08Å; C496-F499 VanDerWaalsContact O-N 3.11Å
497	F	31.6	Very low	42.4	Very low	170 Å²	170	51.6 Å²	51.6	75%	0.746	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-51.2	-16.4	168.5	-141.5	-95.3	0	0	0	112.9	H495	H495-F497 PolarHBondContact O-N 3.24Å
498	F	33.3	Very low	43.3	Very low	153 Å²	153	51.5 Å²	51.5	67%	0.671	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-77.8	-12.4	178.9	-94.8	-85.1	0	0	0	115.8	L315 C496 L500	L315-F498 HydrophobicContact CD1-CD1 4.43Å; L315-F498 HydrophobicContact CD2-CB 3.7Å; L315-F498 HydrophobicContact CD2-CD1 3.33Å; L315-F498 HydrophobicContact CD2-CE1 4.12Å; L315-F498 HydrophobicContact CD2-CG 3.69Å; C496-F498 PolarHBondContact O-N 3.07Å; F498-L500 VanDerWaalsContact C-N 3.35Å
499	F	35.7	Very low	44.2	Very low	45 Å²	45	50.8 Å²	50.8	20%	0.197	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-93.4	17.4	173.1	-84.2	-68.8	0	0	0	114.1	L315 C496 T501	L315-F499 WeakPolarHBondContact O-CZ 3.35Å; C496-F499 HydrophobicContact CB-CD2 4.29Å; C496-F499 PolarHBondContact O-N 3.08Å; C496-F499 VanDerWaalsContact O-N 3.11Å; F499-T501 PolarHBondContact O-N 3.39Å; F499-T501 VanDerWaalsContact O-N 3.08Å
500	L	33.7	Very low	45	Very low	149 Å²	149	50 Å²	50	78%	0.78	26%	0.26	S	S	*	.	S	Bend	trans	-57.9	-24	173.9	-145.8	91.6	0	0	0	112.4	F498	F498-L500 VanDerWaalsContact C-N 3.35Å
501	T	40.1	Very low	45.8	Very low	74 Å²	74	50.3 Å²	50.3	45%	0.454	26%	0.262	S	S	.	.	S	Bend	trans	-104.1	126.3	173.5	58.6	0	0	0	0	107.9	F499 L503	F499-T501 PolarHBondContact O-N 3.39Å; F499-T501 VanDerWaalsContact O-N 3.08Å; T501-L503 HydrophobicContact CG2-CD1 4.36Å; T501-L503 PolarHBondContact O-N 2.86Å; T501-L503 WeakPolarHBondContact OG1-CD1 3.49Å; T501-L503 VanDerWaalsContact OG1-CG 3.26Å; T501-L503 WeakPolarHBondContact OG1-CG 3.46Å
502	G	39.4	Very low	46.4	Very low	24 Å²	24	50.8 Å²	50.8	25%	0.247	26%	0.263	C	S	.	.			trans	-62.6	24.7	-178.2	0	0	0	0	0	116.7	G504	G502-G504 VanDerWaalsContact C-N 3.3Å; G502-G504 PolarHBondContact O-N 3.11Å
503	L	44.8	Very low	47.2	Very low	32 Å²	32	51 Å²	51	17%	0.168	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.7	-169.1	-60.4	176	0	0	0	115.2	R284 E287 T501	R284-L503 VanDerWaalsContact CZ-C 3.47Å; R284-L503 VanDerWaalsContact NH1-CA 3.26Å; R284-L503 VanDerWaalsContact NH1-CB 3.31Å; R284-L503 PolarHBondContact NH1-O 2.78Å; R284-L503 VanDerWaalsContact NH1-O 3.09Å; R284-L503 PolarHBondContact NH2-O 2.67Å; E287-L503 WeakPolarHBondContact OE2-CD2 3.35Å; T501-L503 HydrophobicContact CG2-CD1 4.36Å; T501-L503 PolarHBondContact O-N 2.86Å; T501-L503 WeakPolarHBondContact OG1-CD1 3.49Å; T501-L503 VanDerWaalsContact OG1-CG 3.26Å; T501-L503 WeakPolarHBondContact OG1-CG 3.46Å
504	G	54.2	Low	48.6	Very low	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-42.4	-177.4	0	0	0	0	0	114.2	D316 G502 R507 L508	D316-G504 WeakPolarHBondContact OD1-CA 2.85Å; D316-G504 PolarHBondContact OD1-N 2.9Å; G502-G504 VanDerWaalsContact C-N 3.3Å; G502-G504 PolarHBondContact O-N 3.11Å; G504-R507 CarbonylContact O-C 2.96Å; G504-R507 PolarHBondContact O-N 2.94Å; G504-L508 WeakPolarHBondContact O-CB 3.32Å; G504-L508 WeakPolarHBondContact O-CG 3.31Å; G504-L508 PolarHBondContact O-N 3.42Å
505	F	60.3	Low	50.2	Low	9 Å²	9	47.5 Å²	47.5	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-73.6	-43.3	-157.4	-155.1	-101.7	0	0	0	113.1	Y492 R507 L508 H509 H514 L516 L537 L538	Y492-F505 HydrophobicContact CE2-CE2 4.2Å; F505-R507 VanDerWaalsContact C-N 3.29Å; F505-R507 PolarHBondContact O-N 2.88Å; F505-L508 PolarHBondContact O-N 2.9Å; F505-H509 VanDerWaalsContact O-CB 3.29Å; F505-H509 WeakPolarHBondContact O-CB 3.29Å; F505-H509 PolarHBondContact O-N 3.41Å; F505-H514 AromaticContact CE1-CD2 3.88Å; F505-H514 AromaticContact CE1-NE2 3.9Å; F505-H514 AromaticContact CE2-CD2 3.92Å; F505-H514 AromaticContact CE2-CE1 3.47Å; F505-H514 VanDerWaalsContact CE2-CE1 3.47Å; F505-H514 WeakPolarHBondContact CE2-CE1 3.21Å; F505-H514 AromaticContact CE2-CG 3.99Å; F505-H514 AromaticContact CE2-ND1 3.7Å; F505-H514 AromaticContact CE2-NE2 3.62Å; F505-H514 AromaticContact CZ-CD2 3.41Å; F505-H514 VanDerWaalsContact CZ-CD2 3.41Å; F505-H514 WeakPolarHBondContact CZ-CD2 3.33Å; F505-H514 AromaticContact CZ-CE1 3.42Å; F505-H514 VanDerWaalsContact CZ-CE1 3.42Å; F505-H514 WeakPolarHBondContact CZ-CE1 3.36Å; F505-H514 AromaticContact CZ-CG 3.95Å; F505-H514 AromaticContact CZ-ND1 3.94Å; F505-H514 AromaticContact CZ-NE2 3.06Å; F505-H514 WeakPolarHBondContact CZ-NE2 3.08Å; F505-L516 HydrophobicContact CE1-CD2 4.15Å; F505-L537 HydrophobicContact CD1-CD2 4.31Å; F505-L537 HydrophobicContact CD1-CG 4.11Å; F505-L537 HydrophobicContact CE1-CD1 4.41Å; F505-L537 HydrophobicContact CE1-CD2 3.77Å; F505-L537 HydrophobicContact CE1-CG 4.03Å; F505-L537 HydrophobicContact CZ-CD2 4.49Å; F505-L538 HydrophobicContact CD1-CD2 3.74Å; F505-L538 HydrophobicContact CE1-CD2 4.33Å
506	L	58.1	Low	52	Low	11 Å²	11	39.5 Å²	39.5	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-42.1	172.5	-177.9	62.9	0	0	0	110.3	R284 H509 S510 L538 L540	R284-L506 HydrophobicContact CG-CD2 4.24Å; L506-H509 PolarHBondContact O-N 2.86Å; L506-S510 VanDerWaalsContact O-CB 3.29Å; L506-S510 WeakPolarHBondContact O-CB 3.27Å; L506-S510 PolarHBondContact O-N 2.83Å; L506-S510 PolarHBondContact O-OG 2.8Å; L506-L538 HydrophobicContact CB-CD2 4.46Å; L506-L538 HydrophobicContact CD1-CB 4.39Å; L506-L538 HydrophobicContact CD1-CD2 4.16Å; L506-L540 HydrophobicContact CD1-CD2 4.17Å; L506-L540 HydrophobicContact CD2-CD2 4.46Å
507	R	60.2	Low	54.2	Low	20 Å²	20	38.8 Å²	38.8	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-45.5	176.2	-169.7	178.3	87.2	-172.3	8.5	112.3	Y207 D316 G504 F505 H509 S510 T511	Y207-R507 HydrophobicContact CD2-CG 4.18Å; Y207-R507 HydrophobicContact CE2-CG 4.22Å; D316-R507 VanDerWaalsContact CG-NH2 3.29Å; D316-R507 IonicContact OD2-CZ 3.61Å; D316-R507 IonicContact OD2-NE 3.31Å; D316-R507 IonicContact OD2-NH1 3.61Å; D316-R507 PolarHBondContact OD2-NH1 3.3Å; D316-R507 IonicContact OD2-NH2 3.64Å; D316-R507 PolarHBondContact OD2-NH2 3.42Å; G504-R507 CarbonylContact O-C 2.96Å; G504-R507 PolarHBondContact O-N 2.94Å; F505-R507 VanDerWaalsContact C-N 3.29Å; F505-R507 PolarHBondContact O-N 2.88Å; R507-H509 PolarHBondContact O-N 3.43Å; R507-S510 CarbonylContact O-C 3.55Å; R507-S510 PolarHBondContact O-N 3.2Å; R507-T511 HydrophobicContact CG-CG2 3.87Å; R507-T511 WeakPolarHBondContact O-CA 3.3Å; R507-T511 VanDerWaalsContact O-CB 3.22Å; R507-T511 WeakPolarHBondContact O-CB 3.34Å; R507-T511 WeakPolarHBondContact O-CG2 3.33Å; R507-T511 PolarHBondContact O-N 3.14Å; R507-T511 PolarHBondContact O-OG1 3.23Å
508	L	62.2	Low	56.5	Low	5 Å²	5	30.8 Å²	30.8	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-54.2	-44.4	174.6	-86.4	166	0	0	0	110.7	D316 P318 G504 F505 T511 Y512 R513 H514	D316-L508 WeakPolarHBondContact O-CD2 3.17Å; D316-L508 VanDerWaalsContact O-CG 3.27Å; D316-L508 WeakPolarHBondContact O-CG 3.46Å; P318-L508 HydrophobicContact CG-CD1 4.5Å; P318-L508 HydrophobicContact CG-CD2 4.18Å; G504-L508 WeakPolarHBondContact O-CB 3.32Å; G504-L508 WeakPolarHBondContact O-CG 3.31Å; G504-L508 PolarHBondContact O-N 3.42Å; F505-L508 PolarHBondContact O-N 2.9Å; L508-T511 WeakPolarHBondContact CA-OG1 3.38Å; L508-T511 CarbonylContact O-C 3.57Å; L508-T511 PolarHBondContact O-OG1 3.45Å; L508-Y512 PolarHBondContact O-N 3.33Å; L508-R513 HydrophobicContact CD2-CB 3.67Å; L508-R513 VanDerWaalsContact CD2-NH1 3.35Å; L508-R513 PolarHBondContact O-N 2.94Å; L508-H514 HydrophobicContact CB-CB 3.93Å; L508-H514 PolarHBondContact O-N 3.29Å
509	H	60.7	Low	59.2	Low	4 Å²	4	24.5 Å²	24.5	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-49.7	175.7	-172.8	67.6	0	0	0	111.9	I236 K242 F505 L506 R507 T511 Y512 H514	I236-H509 WeakPolarHBondContact CD1-CD2 3.33Å; I236-H509 WeakPolarHBondContact CG2-NE2 3.48Å; K242-H509 PolarHBondContact NZ-O 2.88Å; F505-H509 VanDerWaalsContact O-CB 3.29Å; F505-H509 WeakPolarHBondContact O-CB 3.29Å; F505-H509 PolarHBondContact O-N 3.41Å; L506-H509 PolarHBondContact O-N 2.86Å; R507-H509 PolarHBondContact O-N 3.43Å; H509-T511 PolarHBondContact O-N 2.82Å; H509-Y512 PolarHBondContact O-N 2.65Å; H509-H514 PolarHBondContact ND1-O 3.38Å
510	S	56.1	Low	61.5	Low	10 Å²	10	22.4 Å²	22.4	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-65	-22.5	177.7	-64.6	0	0	0	0	113.9	K242 L506 R507	K242-S510 WeakPolarHBondContact CD-O 3.37Å; L506-S510 VanDerWaalsContact O-CB 3.29Å; L506-S510 WeakPolarHBondContact O-CB 3.27Å; L506-S510 PolarHBondContact O-N 2.83Å; L506-S510 PolarHBondContact O-OG 2.8Å; R507-S510 CarbonylContact O-C 3.55Å; R507-S510 PolarHBondContact O-N 3.2Å
511	T	57	Low	63.9	Low	24 Å²	24	15.9 Å²	15.9	15%	0.147	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	16.1	174.4	59.4	0	0	0	0	112.3	D206 Y207 R507 L508 H509 R513	D206-T511 WeakPolarHBondContact O-CG2 3.14Å; Y207-T511 HydrophobicContact CD2-CG2 4.34Å; R507-T511 HydrophobicContact CG-CG2 3.87Å; R507-T511 WeakPolarHBondContact O-CA 3.3Å; R507-T511 VanDerWaalsContact O-CB 3.22Å; R507-T511 WeakPolarHBondContact O-CB 3.34Å; R507-T511 WeakPolarHBondContact O-CG2 3.33Å; R507-T511 PolarHBondContact O-N 3.14Å; R507-T511 PolarHBondContact O-OG1 3.23Å; L508-T511 WeakPolarHBondContact CA-OG1 3.38Å; L508-T511 CarbonylContact O-C 3.57Å; L508-T511 PolarHBondContact O-OG1 3.45Å; H509-T511 PolarHBondContact O-N 2.82Å; T511-R513 PolarHBondContact O-N 3.41Å; T511-R513 PolarHBondContact OG1-NE 3.31Å; T511-R513 VanDerWaalsContact OG1-NE 3.09Å; T511-R513 PolarHBondContact OG1-NH2 3.25Å
512	Y	57.1	Low	65.5	Low	11 Å²	11	16.3 Å²	16.3	4%	0.043	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	9.1	174.1	-49.5	-112.4	0	0	0	116.3	S239 K242 L243 L508 H509 H514 T762 L764	S239-Y512 WeakPolarHBondContact O-CE1 3.18Å; K242-Y512 VanDerWaalsContact CA-OH 3.25Å; K242-Y512 WeakPolarHBondContact CA-OH 3.42Å; K242-Y512 HydrophobicContact CB-CD1 4.34Å; K242-Y512 HydrophobicContact CB-CE1 3.39Å; K242-Y512 HydrophobicContact CB-CE2 3.85Å; K242-Y512 WeakPolarHBondContact CB-OH 3.37Å; K242-Y512 HydrophobicContact CD-CD1 3.5Å; K242-Y512 HydrophobicContact CD-CD2 3.49Å; K242-Y512 VanDerWaalsContact CD-CD2 3.49Å; K242-Y512 HydrophobicContact CD-CE1 3.38Å; K242-Y512 HydrophobicContact CD-CE2 3.28Å; K242-Y512 HydrophobicContact CD-CG 3.6Å; K242-Y512 HydrophobicContact CG-CD1 4.28Å; K242-Y512 HydrophobicContact CG-CD2 4.02Å; K242-Y512 HydrophobicContact CG-CE1 3.65Å; K242-Y512 HydrophobicContact CG-CE2 3.26Å; K242-Y512 HydrophobicContact CG-CG 4.47Å; K242-Y512 WeakPolarHBondContact CG-OH 3.45Å; K242-Y512 PolarHBondContact O-OH 3.35Å; L243-Y512 WeakPolarHBondContact CA-OH 3.28Å; L243-Y512 PolarHBondContact N-OH 2.8Å; L508-Y512 PolarHBondContact O-N 3.33Å; H509-Y512 PolarHBondContact O-N 2.65Å; Y512-H514 PolarHBondContact O-N 2.83Å; Y512-T762 VanDerWaalsContact CD1-O 3.28Å; Y512-T762 WeakPolarHBondContact CD1-O 3.25Å; Y512-L764 HydrophobicContact CD1-CB 4.14Å; Y512-L764 HydrophobicContact CD1-CD1 4.33Å; Y512-L764 HydrophobicContact CD1-CG 4.29Å; Y512-L764 HydrophobicContact CD2-CB 4.39Å; Y512-L764 HydrophobicContact CD2-CD1 3.64Å; Y512-L764 HydrophobicContact CD2-CG 4.4Å; Y512-L764 HydrophobicContact CE1-CB 4.38Å; Y512-L764 HydrophobicContact CE1-CD1 3.98Å; Y512-L764 HydrophobicContact CE1-CG 4.02Å; Y512-L764 HydrophobicContact CE2-CD1 3.34Å; Y512-L764 HydrophobicContact CE2-CG 4.27Å; Y512-L764 HydrophobicContact CG-CB 4.06Å; Y512-L764 HydrophobicContact CG-CD1 4.11Å; Y512-L764 HydrophobicContact CG-CG 4.39Å; Y512-L764 VanDerWaalsContact CZ-CD1 3.4Å; Y512-L764 WeakPolarHBondContact OH-CD1 3.33Å
513	R	61.2	Low	67.4	Low	20 Å²	20	17.6 Å²	17.6	8%	0.075	8%	0.084	C	C	.	.	S	Bend	trans	-82.9	-4.8	179.3	-68.5	-175.5	-65.1	129.2	9.9	111.8	D316 D317 L508 T511 I773	D316-R513 PolarHBondContact O-NH1 2.94Å; D316-R513 PolarHBondContact O-NH2 3.22Å; D317-R513 IonicContact OD1-CZ 3.27Å; D317-R513 IonicContact OD1-NH1 2.71Å; D317-R513 PolarHBondContact OD1-NH1 3.25Å; L508-R513 HydrophobicContact CD2-CB 3.67Å; L508-R513 VanDerWaalsContact CD2-NH1 3.35Å; L508-R513 PolarHBondContact O-N 2.94Å; T511-R513 PolarHBondContact O-N 3.41Å; T511-R513 PolarHBondContact OG1-NE 3.31Å; T511-R513 VanDerWaalsContact OG1-NE 3.09Å; T511-R513 PolarHBondContact OG1-NH2 3.25Å; R513-I773 HydrophobicContact CG-CD1 4.46Å
514	H	66.5	Low	69	Low	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	115.6	-179.4	-166.5	88.7	0	0	0	113.1	Y492 F505 L508 H509 Y512 L516 T782	Y492-H514 PolarHBondContact OH-CE1 3.5Å; F505-H514 AromaticContact CE1-CD2 3.88Å; F505-H514 AromaticContact CE1-NE2 3.9Å; F505-H514 AromaticContact CE2-CD2 3.92Å; F505-H514 AromaticContact CE2-CE1 3.47Å; F505-H514 VanDerWaalsContact CE2-CE1 3.47Å; F505-H514 WeakPolarHBondContact CE2-CE1 3.21Å; F505-H514 AromaticContact CE2-CG 3.99Å; F505-H514 AromaticContact CE2-ND1 3.7Å; F505-H514 AromaticContact CE2-NE2 3.62Å; F505-H514 AromaticContact CZ-CD2 3.41Å; F505-H514 VanDerWaalsContact CZ-CD2 3.41Å; F505-H514 WeakPolarHBondContact CZ-CD2 3.33Å; F505-H514 AromaticContact CZ-CE1 3.42Å; F505-H514 VanDerWaalsContact CZ-CE1 3.42Å; F505-H514 WeakPolarHBondContact CZ-CE1 3.36Å; F505-H514 AromaticContact CZ-CG 3.95Å; F505-H514 AromaticContact CZ-ND1 3.94Å; F505-H514 AromaticContact CZ-NE2 3.06Å; F505-H514 WeakPolarHBondContact CZ-NE2 3.08Å; L508-H514 HydrophobicContact CB-CB 3.93Å; L508-H514 PolarHBondContact O-N 3.29Å; H509-H514 PolarHBondContact ND1-O 3.38Å; Y512-H514 PolarHBondContact O-N 2.83Å; H514-L516 PolarHBondContact O-N 2.82Å; H514-T782 PolarHBondContact CE1-OG1 3.35Å; H514-T782 VanDerWaalsContact NE2-CB 3.31Å; H514-T782 WeakPolarHBondContact NE2-CB 3.28Å; H514-T782 PolarHBondContact NE2-OG1 3.42Å
515	D	71.8	Confident	70.5	Confident	6 Å²	6	17.5 Å²	17.5	3%	0.032	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	97	177.6	177.8	23	0	0	0	110.9	K517 T762 H779 V780 R781 T782 R783	D515-K517 WeakPolarHBondContact OD1-CE 3.46Å; D515-T762 WeakPolarHBondContact CA-OG1 3.46Å; D515-T762 VanDerWaalsContact CB-OG1 3.26Å; D515-T762 WeakPolarHBondContact CB-OG1 3.33Å; D515-T762 PolarHBondContact OD1-OG1 3.17Å; D515-H779 WeakPolarHBondContact CB-CE1 3.12Å; D515-H779 WeakPolarHBondContact CB-NE2 3.24Å; D515-V780 PolarHBondContact N-O 3.35Å; D515-V780 VanDerWaalsContact N-O 3.11Å; D515-R781 HydrophobicContact CB-CG 4.17Å; D515-R781 WeakPolarHBondContact O-CA 3.3Å; D515-T782 PolarHBondContact O-N 3.29Å; D515-R783 PolarHBondContact O-NH1 3Å; D515-R783 IonicContact OD1-NH1 2.65Å; D515-R783 IonicContact OD1-NH2 3.43Å; D515-R783 IonicContact OD2-CZ 2.68Å; D515-R783 IonicContact OD2-NH1 3.01Å; D515-R783 PolarHBondContact OD2-NH1 3.44Å; D515-R783 IonicContact OD2-NH2 3.67Å; D515-R783 PolarHBondContact OD2-NH2 2.89Å
516	L	74.9	Confident	72	Confident	10 Å²	10	17.1 Å²	17.1	5%	0.052	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.2	177.8	176.3	67.4	0	0	0	110.8	F505 H514 M518 L537 L538 M551 T782 L784	F505-L516 HydrophobicContact CE1-CD2 4.15Å; H514-L516 PolarHBondContact O-N 2.82Å; L516-M518 HydrophobicContact CD1-CE 4.16Å; L516-M518 HydrophobicContact CD1-CG 4.47Å; L516-M518 HydrophobicContact CD2-CE 3.78Å; L516-M518 HydrophobicContact CG-CE 4.28Å; L516-L537 HydrophobicContact CD1-CD2 4.18Å; L516-L537 HydrophobicContact CD2-CD2 4.05Å; L516-L538 HydrophobicContact CD2-CD1 3.95Å; L516-L538 HydrophobicContact CD2-CD2 4.17Å; L516-L538 HydrophobicContact CD2-CG 4.26Å; L516-M551 HydrophobicContact CD2-CE 4.02Å; L516-T782 WeakPolarHBondContact CA-O 3.38Å; L516-T782 HydrophobicContact CD1-CG2 3.61Å; L516-L784 HydrophobicContact CD1-CD1 4.19Å; L516-L784 HydrophobicContact CD1-CG 4.29Å
517	K	78.7	Confident	73.3	Confident	38 Å²	38	18.3 Å²	18.3	17%	0.165	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.7	167.7	-60.7	179.2	-175.5	173.9	0	110.2	D515 Y519 T782 R783 L784	D515-K517 WeakPolarHBondContact OD1-CE 3.46Å; K517-Y519 HydrophobicContact CB-CE2 3.9Å; K517-T782 PolarHBondContact N-O 2.93Å; K517-R783 WeakPolarHBondContact O-CA 3.22Å; K517-L784 PolarHBondContact O-N 3.16Å
518	M	81.8	Confident	74.5	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.2	176.1	-53.4	-165.9	-177.2	0	0	110.1	L516 F533 A534 L537 K553 L784 F786	L516-M518 HydrophobicContact CD1-CE 4.16Å; L516-M518 HydrophobicContact CD1-CG 4.47Å; L516-M518 HydrophobicContact CD2-CE 3.78Å; L516-M518 HydrophobicContact CG-CE 4.28Å; M518-F533 HydrophobicContact CE-CD1 4.3Å; M518-A534 HydrophobicContact CE-CB 3.56Å; M518-A534 HydrophobicContact SD-CB 3.59Å; M518-A534 VanDerWaalsContact SD-CB 3.59Å; M518-L537 HydrophobicContact CE-CD2 3.67Å; M518-K553 PolarHBondContact O-N 3.22Å; M518-L784 CarbonylContact C-O 3.52Å; M518-L784 WeakPolarHBondContact CA-O 3.48Å; M518-L784 HydrophobicContact CB-CB 4.48Å; M518-L784 HydrophobicContact CE-CD1 3.59Å; M518-L784 HydrophobicContact CG-CB 4.14Å; M518-L784 HydrophobicContact CG-CD1 4.04Å; M518-L784 HydrophobicContact CG-CG 4.34Å; M518-L784 HydrophobicContact SD-CD1 4.01Å; M518-F786 HydrophobicContact SD-CE2 4.2Å
519	Y	87.9	Confident	75.9	Confident	22 Å²	22	19.3 Å²	19.3	9%	0.086	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139	178.4	-57.9	-85.9	0	0	0	108.4	K517 K553 L784 Y785 F786	K517-Y519 HydrophobicContact CB-CE2 3.9Å; Y519-K553 WeakPolarHBondContact CA-O 3.35Å; Y519-K553 HydrophobicContact CD1-CB 4.09Å; Y519-K553 HydrophobicContact CE1-CB 4.4Å; Y519-K553 HydrophobicContact CE1-CD 4.19Å; Y519-L784 PolarHBondContact N-O 3.23Å; Y519-Y785 AromaticContact CD2-CD1 3.83Å; Y519-Y785 HydrophobicContact CD2-CD1 3.83Å; Y519-Y785 AromaticContact CD2-CE1 3.54Å; Y519-Y785 HydrophobicContact CD2-CE1 3.54Å; Y519-Y785 HydrophobicContact CE2-CE1 4.07Å; Y519-Y785 HydrophobicContact CG-CD1 4.11Å; Y519-Y785 HydrophobicContact CG-CE1 4.09Å; Y519-Y785 CarbonylContact O-C 3.25Å; Y519-Y785 WeakPolarHBondContact O-CA 3.36Å; Y519-F786 PolarHBondContact O-N 2.99Å
520	A	85.5	Confident	77.3	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.4	174.6	0	0	0	0	0	110.7	V526 Q527 A530 V552 K553 A555 F786	A520-V526 HydrophobicContact CB-CG1 4.18Å; A520-Q527 HydrophobicContact CB-CG 4.15Å; A520-A530 HydrophobicContact CB-CB 4.11Å; A520-V552 HydrophobicContact CB-CG1 3.36Å; A520-K553 PolarHBondContact N-O 3.21Å; A520-A555 PolarHBondContact O-N 2.82Å; A520-F786 HydrophobicContact CB-CB 4.17Å
521	S	83.7	Confident	78.4	Confident	13 Å²	13	18.7 Å²	18.7	9%	0.091	9%	0.094	C	C	.	.			trans	-56.4	150.2	164.2	174.6	0	0	0	0	110.4	E523 Q527 F786	S521-E523 PolarHBondContact O-N 3.36Å; S521-Q527 WeakPolarHBondContact O-CG 2.96Å; S521-F786 PolarHBondContact N-O 3.19Å
522	E	73.9	Confident	79.8	Confident	82 Å²	82	17.5 Å²	17.5	38%	0.383	9%	0.087	S	C	.	.	S	Bend	trans	-59.8	-3.8	176.4	-66.9	-63.8	137.6	0	0	114.2	G524 S554 A555 N556	E522-G524 PolarHBondContact O-N 2.94Å; E522-S554 WeakPolarHBondContact OE1-CB 3.06Å; E522-S554 PolarHBondContact OE1-OG 3.06Å; E522-S554 PolarHBondContact OE2-OG 2.99Å; E522-A555 PolarHBondContact OE1-N 3.35Å; E522-N556 PolarHBondContact OE1-N 2.93Å; E522-N556 PolarHBondContact OE1-OD1 3.37Å
523	E	78.4	Confident	81.3	Confident	51 Å²	51	17 Å²	17	24%	0.238	9%	0.085	C	C	.	.	S	Bend	trans	-74	123.4	176.1	-171	169.5	-141.5	0	0	111.6	K346 S521 R525 V526 Q527	K346-E523 IonicContact NZ-OE1 3.39Å; K346-E523 PolarHBondContact NZ-OE1 3.42Å; S521-E523 PolarHBondContact O-N 3.36Å; E523-R525 VanDerWaalsContact C-N 3.28Å; E523-R525 HydrophobicContact CG-CG 4.09Å; E523-R525 PolarHBondContact O-N 3.46Å; E523-R525 VanDerWaalsContact O-N 3.09Å; E523-R525 IonicContact OE1-CZ 2.77Å; E523-R525 IonicContact OE1-NH1 2.75Å; E523-R525 PolarHBondContact OE1-NH1 2.97Å; E523-R525 IonicContact OE1-NH2 3.63Å; E523-R525 PolarHBondContact OE1-NH2 3.4Å; E523-R525 IonicContact OE2-CZ 2.96Å; E523-R525 IonicContact OE2-NE 3.88Å; E523-R525 IonicContact OE2-NH1 2.71Å; E523-R525 IonicContact OE2-NH2 2.71Å; E523-R525 PolarHBondContact OE2-NH2 2.9Å; E523-V526 HydrophobicContact CB-CB 4.36Å; E523-V526 HydrophobicContact CB-CG2 3.84Å; E523-V526 HydrophobicContact CG-CG2 4.3Å; E523-V526 WeakPolarHBondContact O-CA 3.45Å; E523-V526 WeakPolarHBondContact O-CB 3.45Å; E523-V526 PolarHBondContact O-N 3.21Å; E523-Q527 PolarHBondContact O-N 3.09Å
524	G	78.2	Confident	82.2	Confident	21 Å²	21	16 Å²	16	22%	0.216	8%	0.081	C	C	.	.	H	α-helix	trans	-54.3	-36	-173.3	0	0	0	0	0	115.2	E522 M528	E522-G524 PolarHBondContact O-N 2.94Å; G524-M528 WeakPolarHBondContact O-CB 3.42Å; G524-M528 WeakPolarHBondContact O-CG 3.25Å; G524-M528 PolarHBondContact O-N 2.79Å
525	R	87.2	Confident	82.7	Confident	10 Å²	10	17.9 Å²	17.9	4%	0.038	9%	0.089	C	C	.	.	H	α-helix	trans	-69.9	-31.9	175.8	66.8	167.1	177.7	-70.4	-14.2	113.3	H340 G468 L470 E523 T529	H340-R525 HydrophobicContact CB-CG 4.49Å; H340-R525 PolarHBondContact CD2-NE 3.35Å; H340-R525 VanDerWaalsContact CD2-NE 3.28Å; H340-R525 PolarHBondContact CE1-NE 3.16Å; H340-R525 PolarHBondContact NE2-NE 3.32Å; H340-R525 PolarHBondContact NE2-NH2 3.31Å; G468-R525 VanDerWaalsContact O-CD 3.31Å; G468-R525 WeakPolarHBondContact O-CD 3.46Å; G468-R525 PolarHBondContact O-NH1 2.84Å; L470-R525 HydrophobicContact CB-CB 3.87Å; L470-R525 HydrophobicContact CD1-CB 4.35Å; E523-R525 VanDerWaalsContact C-N 3.28Å; E523-R525 HydrophobicContact CG-CG 4.09Å; E523-R525 PolarHBondContact O-N 3.46Å; E523-R525 VanDerWaalsContact O-N 3.09Å; E523-R525 IonicContact OE1-CZ 2.77Å; E523-R525 IonicContact OE1-NH1 2.75Å; E523-R525 PolarHBondContact OE1-NH1 2.97Å; E523-R525 IonicContact OE1-NH2 3.63Å; E523-R525 PolarHBondContact OE1-NH2 3.4Å; E523-R525 IonicContact OE2-CZ 2.96Å; E523-R525 IonicContact OE2-NE 3.88Å; E523-R525 IonicContact OE2-NH1 2.71Å; E523-R525 IonicContact OE2-NH2 2.71Å; E523-R525 PolarHBondContact OE2-NH2 2.9Å; R525-T529 WeakPolarHBondContact O-CB 3.4Å; R525-T529 PolarHBondContact O-N 2.66Å; R525-T529 PolarHBondContact O-OG1 3.21Å
526	V	90	Very high	82.9	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71.3	-47.4	178.8	-176.7	0	0	0	0	109.1	H340 A520 E523 M528 T529 A530 F786	H340-V526 HydrophobicContact CB-CG2 4.05Å; A520-V526 HydrophobicContact CB-CG1 4.18Å; E523-V526 HydrophobicContact CB-CB 4.36Å; E523-V526 HydrophobicContact CB-CG2 3.84Å; E523-V526 HydrophobicContact CG-CG2 4.3Å; E523-V526 WeakPolarHBondContact O-CA 3.45Å; E523-V526 WeakPolarHBondContact O-CB 3.45Å; E523-V526 PolarHBondContact O-N 3.21Å; V526-M528 PolarHBondContact O-N 2.89Å; V526-T529 WeakPolarHBondContact O-CB 3.4Å; V526-T529 PolarHBondContact O-N 2.82Å; V526-A530 PolarHBondContact O-N 3.12Å; V526-F786 HydrophobicContact CG1-CB 3.61Å; V526-F786 WeakPolarHBondContact CG1-O 3.41Å
527	Q	85.3	Confident	83	Confident	36 Å²	36	17.3 Å²	17.3	17%	0.168	9%	0.087	C	C	.	.	H	α-helix	trans	-52	-52.7	170.3	-82.3	178.4	0.2	0	0	112	A520 S521 E523 T529 A530 A531 L548 S554	A520-Q527 HydrophobicContact CB-CG 4.15Å; S521-Q527 WeakPolarHBondContact O-CG 2.96Å; E523-Q527 PolarHBondContact O-N 3.09Å; Q527-T529 VanDerWaalsContact C-N 3.32Å; Q527-T529 PolarHBondContact O-N 2.86Å; Q527-A530 WeakPolarHBondContact O-CB 3.49Å; Q527-A530 PolarHBondContact O-N 3.15Å; Q527-A530 VanDerWaalsContact O-N 3.16Å; Q527-A531 PolarHBondContact O-N 3.24Å; Q527-L548 VanDerWaalsContact C-CD1 3.5Å; Q527-L548 HydrophobicContact CB-CD1 3.51Å; Q527-L548 HydrophobicContact CB-CD2 4.26Å; Q527-L548 HydrophobicContact CG-CD1 4.1Å; Q527-L548 VanDerWaalsContact O-CD1 3.23Å; Q527-L548 WeakPolarHBondContact O-CD1 3.18Å; Q527-S554 PolarHBondContact NE2-OG 3.44Å
528	M	85.9	Confident	82.6	Confident	47 Å²	47	15.5 Å²	15.5	23%	0.232	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-33.5	-179.9	-69.5	-64.4	-68.3	0	0	112.9	L470 G524 V526 A531 A532 L544 L548	L470-M528 HydrophobicContact CD2-CB 3.76Å; G524-M528 WeakPolarHBondContact O-CB 3.42Å; G524-M528 WeakPolarHBondContact O-CG 3.25Å; G524-M528 PolarHBondContact O-N 2.79Å; V526-M528 PolarHBondContact O-N 2.89Å; M528-A531 PolarHBondContact O-N 3.15Å; M528-A532 WeakPolarHBondContact O-CB 3.43Å; M528-A532 PolarHBondContact O-N 2.99Å; M528-L544 HydrophobicContact CE-CB 3.6Å; M528-L544 HydrophobicContact CE-CD1 3.69Å; M528-L544 HydrophobicContact CE-CG 4.27Å; M528-L544 HydrophobicContact SD-CB 4.38Å; M528-L548 HydrophobicContact SD-CD2 4.16Å
529	T	92.6	Very high	81.9	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-48.3	171.8	-56.6	0	0	0	0	109.7	H340 G341 L470 A478 R525 V526 Q527 A531 A532 F533 F786 M829	H340-T529 WeakPolarHBondContact CB-OG1 3.35Å; G341-T529 PolarHBondContact N-OG1 2.82Å; G341-T529 VanDerWaalsContact N-OG1 3.17Å; L470-T529 VanDerWaalsContact CD1-OG1 3.3Å; L470-T529 WeakPolarHBondContact CD1-OG1 3.28Å; A478-T529 HydrophobicContact CB-CG2 3.66Å; R525-T529 WeakPolarHBondContact O-CB 3.4Å; R525-T529 PolarHBondContact O-N 2.66Å; R525-T529 PolarHBondContact O-OG1 3.21Å; V526-T529 WeakPolarHBondContact O-CB 3.4Å; V526-T529 PolarHBondContact O-N 2.82Å; Q527-T529 VanDerWaalsContact C-N 3.32Å; Q527-T529 PolarHBondContact O-N 2.86Å; T529-A531 VanDerWaalsContact C-N 3.29Å; T529-A531 PolarHBondContact O-N 3.24Å; T529-A532 PolarHBondContact O-N 2.66Å; T529-F533 WeakPolarHBondContact O-CB 3.48Å; T529-F533 PolarHBondContact O-N 3.2Å; T529-F786 HydrophobicContact CG2-CD1 4.01Å; T529-F786 HydrophobicContact CG2-CE1 4.21Å; T529-M829 HydrophobicContact CG2-CE 4.04Å; T529-M829 HydrophobicContact CG2-SD 3.63Å
530	A	88.8	Confident	80.9	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-41.8	178.7	0	0	0	0	0	111.9	A520 V526 Q527 F533 A534 V552 F786	A520-A530 HydrophobicContact CB-CB 4.11Å; V526-A530 PolarHBondContact O-N 3.12Å; Q527-A530 WeakPolarHBondContact O-CB 3.49Å; Q527-A530 PolarHBondContact O-N 3.15Å; Q527-A530 VanDerWaalsContact O-N 3.16Å; A530-F533 PolarHBondContact O-N 2.81Å; A530-A534 WeakPolarHBondContact O-CB 3.1Å; A530-A534 PolarHBondContact O-N 3.41Å; A530-V552 HydrophobicContact CB-CB 4.33Å; A530-V552 HydrophobicContact CB-CG1 3.7Å; A530-V552 HydrophobicContact CB-CG2 3.6Å; A530-F786 HydrophobicContact CB-CB 3.98Å; A530-F786 HydrophobicContact CB-CD1 4.02Å; A530-F786 HydrophobicContact CB-CD2 3.28Å; A530-F786 HydrophobicContact CB-CE1 4.35Å; A530-F786 HydrophobicContact CB-CE2 3.68Å; A530-F786 HydrophobicContact CB-CG 3.48Å; A530-F786 VanDerWaalsContact CB-CG 3.48Å; A530-F786 HydrophobicContact CB-CZ 4.2Å
531	A	80.5	Confident	80	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66	-43.6	176.7	0	0	0	0	0	112.4	Q527 M528 T529 A534 K535 L544 I547 L548 V552	Q527-A531 PolarHBondContact O-N 3.24Å; M528-A531 PolarHBondContact O-N 3.15Å; T529-A531 VanDerWaalsContact C-N 3.29Å; T529-A531 PolarHBondContact O-N 3.24Å; A531-A534 PolarHBondContact O-N 2.83Å; A531-K535 WeakPolarHBondContact O-CB 3.19Å; A531-K535 PolarHBondContact O-N 3.24Å; A531-L544 HydrophobicContact CB-CB 4.3Å; A531-I547 HydrophobicContact CB-CG2 4.34Å; A531-L548 HydrophobicContact CB-CB 3.82Å; A531-L548 HydrophobicContact CB-CD1 4.19Å; A531-V552 HydrophobicContact CB-CG2 4.34Å
532	A	85.8	Confident	79	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-42	176.1	0	0	0	0	0	111.7	A478 E479 M528 T529 K535 G536 L544	A478-A532 HydrophobicContact CB-CB 3.71Å; E479-A532 VanDerWaalsContact CA-O 3.29Å; E479-A532 WeakPolarHBondContact CA-O 3.45Å; M528-A532 WeakPolarHBondContact O-CB 3.43Å; M528-A532 PolarHBondContact O-N 2.99Å; T529-A532 PolarHBondContact O-N 2.66Å; A532-K535 WeakPolarHBondContact O-CB 3.25Å; A532-K535 PolarHBondContact O-N 3.01Å; A532-G536 PolarHBondContact O-N 3.05Å; A532-L544 HydrophobicContact CB-CD1 3.9Å; A532-L544 HydrophobicContact CB-CD2 4Å
533	F	89	Confident	78.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-46	173.4	-175.2	-80.4	0	0	0	111.9	I338 A478 L481 F487 M518 T529 A530 K535 G536 L537 L784 F786 M829	I338-F533 HydrophobicContact CD1-CD2 4.32Å; I338-F533 HydrophobicContact CD1-CE1 4.49Å; I338-F533 HydrophobicContact CD1-CE2 3.91Å; I338-F533 HydrophobicContact CD1-CZ 4.01Å; A478-F533 HydrophobicContact CB-CB 4.45Å; A478-F533 VanDerWaalsContact O-CA 3.31Å; A478-F533 WeakPolarHBondContact O-CA 3.38Å; L481-F533 HydrophobicContact CB-CD2 4.23Å; L481-F533 HydrophobicContact CB-CE2 4.15Å; L481-F533 HydrophobicContact CD2-CD2 4.18Å; L481-F533 HydrophobicContact CD2-CE2 3.8Å; L481-F533 HydrophobicContact CG-CD2 4.32Å; L481-F533 HydrophobicContact CG-CE2 3.81Å; F487-F533 HydrophobicContact CB-CZ 4.23Å; F487-F533 AromaticContact CD1-CZ 3.99Å; F487-F533 HydrophobicContact CD1-CZ 3.99Å; F487-F533 AromaticContact CD2-CE2 3.87Å; F487-F533 HydrophobicContact CD2-CE2 3.87Å; F487-F533 AromaticContact CD2-CZ 3.5Å; F487-F533 HydrophobicContact CD2-CZ 3.5Å; F487-F533 VanDerWaalsContact CD2-CZ 3.5Å; F487-F533 HydrophobicContact CE1-CZ 4.22Å; F487-F533 AromaticContact CE2-CE2 3.96Å; F487-F533 HydrophobicContact CE2-CE2 3.96Å; F487-F533 AromaticContact CE2-CZ 3.7Å; F487-F533 HydrophobicContact CE2-CZ 3.7Å; F487-F533 HydrophobicContact CG-CE2 4.42Å; F487-F533 AromaticContact CG-CZ 3.63Å; F487-F533 HydrophobicContact CG-CZ 3.63Å; F487-F533 HydrophobicContact CZ-CZ 4.04Å; M518-F533 HydrophobicContact CE-CD1 4.3Å; T529-F533 WeakPolarHBondContact O-CB 3.48Å; T529-F533 PolarHBondContact O-N 3.2Å; A530-F533 PolarHBondContact O-N 2.81Å; F533-K535 VanDerWaalsContact C-N 3.27Å; F533-K535 PolarHBondContact O-N 3.12Å; F533-G536 PolarHBondContact O-N 3.1Å; F533-G536 VanDerWaalsContact O-N 3.16Å; F533-L537 HydrophobicContact CD1-CB 4.29Å; F533-L537 HydrophobicContact CE1-CB 4.07Å; F533-L537 HydrophobicContact CE1-CD1 4.35Å; F533-L537 HydrophobicContact CE1-CD2 4.05Å; F533-L537 HydrophobicContact CE1-CG 4.38Å; F533-L537 WeakPolarHBondContact O-CB 3.09Å; F533-L537 PolarHBondContact O-N 2.88Å; F533-L784 HydrophobicContact CD1-CD1 3.9Å; F533-L784 HydrophobicContact CE1-CD1 3.4Å; F533-L784 HydrophobicContact CZ-CD1 4.31Å; F533-F786 HydrophobicContact CB-CE1 3.71Å; F533-F786 HydrophobicContact CB-CZ 3.54Å; F533-F786 HydrophobicContact CD1-CE1 4.42Å; F533-F786 HydrophobicContact CD1-CE2 4.48Å; F533-F786 AromaticContact CD1-CZ 3.6Å; F533-F786 HydrophobicContact CD1-CZ 3.6Å; F533-F786 HydrophobicContact CD2-CE1 4.2Å; F533-F786 HydrophobicContact CD2-CZ 4.13Å; F533-F786 HydrophobicContact CE1-CZ 4.33Å; F533-F786 AromaticContact CG-CE1 3.86Å; F533-F786 HydrophobicContact CG-CE1 3.86Å; F533-F786 AromaticContact CG-CZ 3.48Å; F533-F786 HydrophobicContact CG-CZ 3.48Å; F533-F786 VanDerWaalsContact CG-CZ 3.48Å; F533-M829 HydrophobicContact CD2-CE 4.35Å
534	A	79.3	Confident	78.2	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-42.9	175.9	0	0	0	0	0	111.7	M518 A530 A531 G536 L537 L538 I547 M551	M518-A534 HydrophobicContact CE-CB 3.56Å; M518-A534 HydrophobicContact SD-CB 3.59Å; M518-A534 VanDerWaalsContact SD-CB 3.59Å; A530-A534 WeakPolarHBondContact O-CB 3.1Å; A530-A534 PolarHBondContact O-N 3.41Å; A531-A534 PolarHBondContact O-N 2.83Å; A534-G536 VanDerWaalsContact C-N 3.34Å; A534-G536 PolarHBondContact O-N 2.87Å; A534-L537 PolarHBondContact O-N 2.78Å; A534-L538 WeakPolarHBondContact O-CB 3.12Å; A534-L538 PolarHBondContact O-N 2.8Å; A534-I547 HydrophobicContact CB-CG2 3.94Å; A534-M551 HydrophobicContact CB-CB 4.37Å
535	K	76.4	Confident	77.7	Confident	39 Å²	39	25.6 Å²	25.6	17%	0.17	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-47	176	-172	-173.9	168.3	-150.4	0	111.3	E479 A531 A532 F533 A539 L540 G542 L544 I547	E479-K535 IonicContact OE1-NZ 2.75Å; E479-K535 WeakPolarHBondContact OE2-CD 3.21Å; E479-K535 IonicContact OE2-NZ 3.97Å; E479-K535 PolarHBondContact OE2-NZ 2.94Å; A531-K535 WeakPolarHBondContact O-CB 3.19Å; A531-K535 PolarHBondContact O-N 3.24Å; A532-K535 WeakPolarHBondContact O-CB 3.25Å; A532-K535 PolarHBondContact O-N 3.01Å; F533-K535 VanDerWaalsContact C-N 3.27Å; F533-K535 PolarHBondContact O-N 3.12Å; K535-A539 CarbonylContact O-C 3.57Å; K535-A539 VanDerWaalsContact O-CA 3.3Å; K535-A539 WeakPolarHBondContact O-CA 3.44Å; K535-A539 PolarHBondContact O-N 2.73Å; K535-L540 WeakPolarHBondContact CE-O 3.24Å; K535-L540 HydrophobicContact CG-CB 4.14Å; K535-L540 WeakPolarHBondContact CG-O 3.33Å; K535-L540 PolarHBondContact O-N 3.41Å; K535-G542 VanDerWaalsContact CE-O 3.27Å; K535-G542 WeakPolarHBondContact CE-O 3.13Å; K535-L544 HydrophobicContact CB-CD2 4.24Å; K535-L544 HydrophobicContact CD-CD2 3.8Å; K535-I547 HydrophobicContact CB-CD1 3.74Å; K535-I547 HydrophobicContact CD-CD1 4.16Å; K535-I547 HydrophobicContact CG-CD1 3.79Å
536	G	76.5	Confident	76.3	Confident	2 Å²	2	26.6 Å²	26.6	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-65.8	-49.6	176.1	0	0	0	0	0	113.7	E479 G482 A532 F533 A534 L538 A539	E479-G536 WeakPolarHBondContact O-CA 3.4Å; G482-G536 VanDerWaalsContact C-C 3.44Å; G482-G536 CarbonylContact O-C 3.57Å; A532-G536 PolarHBondContact O-N 3.05Å; F533-G536 PolarHBondContact O-N 3.1Å; F533-G536 VanDerWaalsContact O-N 3.16Å; A534-G536 VanDerWaalsContact C-N 3.34Å; A534-G536 PolarHBondContact O-N 2.87Å; G536-L538 VanDerWaalsContact C-N 3.35Å; G536-L538 PolarHBondContact O-N 3.14Å; G536-A539 PolarHBondContact O-N 3.43Å
537	L	76.9	Confident	75	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-47.6	-176.4	-178.5	71.6	0	0	0	112.3	G482 F487 K488 F505 L516 M518 F533 A534 L784	G482-L537 VanDerWaalsContact O-CA 3.24Å; G482-L537 WeakPolarHBondContact O-CA 3.49Å; G482-L537 PolarHBondContact O-N 2.81Å; F487-L537 HydrophobicContact CB-CD1 4.12Å; K488-L537 WeakPolarHBondContact CE-O 3.17Å; K488-L537 PolarHBondContact NZ-O 3.4Å; K488-L537 VanDerWaalsContact NZ-O 3.09Å; F505-L537 HydrophobicContact CD1-CD2 4.31Å; F505-L537 HydrophobicContact CD1-CG 4.11Å; F505-L537 HydrophobicContact CE1-CD1 4.41Å; F505-L537 HydrophobicContact CE1-CD2 3.77Å; F505-L537 HydrophobicContact CE1-CG 4.03Å; F505-L537 HydrophobicContact CZ-CD2 4.49Å; L516-L537 HydrophobicContact CD1-CD2 4.18Å; L516-L537 HydrophobicContact CD2-CD2 4.05Å; M518-L537 HydrophobicContact CE-CD2 3.67Å; F533-L537 HydrophobicContact CD1-CB 4.29Å; F533-L537 HydrophobicContact CE1-CB 4.07Å; F533-L537 HydrophobicContact CE1-CD1 4.35Å; F533-L537 HydrophobicContact CE1-CD2 4.05Å; F533-L537 HydrophobicContact CE1-CG 4.38Å; F533-L537 WeakPolarHBondContact O-CB 3.09Å; F533-L537 PolarHBondContact O-N 2.88Å; A534-L537 PolarHBondContact O-N 2.78Å; L537-L784 HydrophobicContact CD2-CD1 4.14Å
538	L	70.7	Confident	74.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.3	-176.2	-67.1	164	0	0	0	112.9	I236 F505 L506 L516 A534 G536 L540 M551	I236-L538 HydrophobicContact CD1-CD1 3.38Å; I236-L538 HydrophobicContact CD1-CD2 4.25Å; I236-L538 HydrophobicContact CD1-CG 4.44Å; F505-L538 HydrophobicContact CD1-CD2 3.74Å; F505-L538 HydrophobicContact CE1-CD2 4.33Å; L506-L538 HydrophobicContact CB-CD2 4.46Å; L506-L538 HydrophobicContact CD1-CB 4.39Å; L506-L538 HydrophobicContact CD1-CD2 4.16Å; L516-L538 HydrophobicContact CD2-CD1 3.95Å; L516-L538 HydrophobicContact CD2-CD2 4.17Å; L516-L538 HydrophobicContact CD2-CG 4.26Å; A534-L538 WeakPolarHBondContact O-CB 3.12Å; A534-L538 PolarHBondContact O-N 2.8Å; G536-L538 VanDerWaalsContact C-N 3.35Å; G536-L538 PolarHBondContact O-N 3.14Å; L538-L540 HydrophobicContact CB-CD1 4.17Å; L538-L540 HydrophobicContact CB-CD2 3.85Å; L538-L540 HydrophobicContact CB-CG 3.7Å; L538-L540 HydrophobicContact CD1-CD1 4.19Å; L538-L540 PolarHBondContact O-N 2.65Å; L538-M551 HydrophobicContact CD1-CE 3.73Å
539	A	68	Low	72.9	Confident	52 Å²	52	29.9 Å²	29.9	43%	0.43	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	45.1	-176.1	0	0	0	0	0	112.6	K535 G536	K535-A539 CarbonylContact O-C 3.57Å; K535-A539 VanDerWaalsContact O-CA 3.3Å; K535-A539 WeakPolarHBondContact O-CA 3.44Å; K535-A539 PolarHBondContact O-N 2.73Å; G536-A539 PolarHBondContact O-N 3.43Å
540	L	66	Low	71.3	Confident	13 Å²	13	32.5 Å²	32.5	7%	0.068	19%	0.189	C	C	.	.			trans	-78.4	143.8	179.4	-54.2	176	0	0	0	110.6	P234 L506 K535 L538 I547	P234-L540 HydrophobicContact CB-CD2 3.95Å; P234-L540 HydrophobicContact CG-CB 3.73Å; P234-L540 HydrophobicContact CG-CD2 3.78Å; P234-L540 HydrophobicContact CG-CG 4.23Å; L506-L540 HydrophobicContact CD1-CD2 4.17Å; L506-L540 HydrophobicContact CD2-CD2 4.46Å; K535-L540 WeakPolarHBondContact CE-O 3.24Å; K535-L540 HydrophobicContact CG-CB 4.14Å; K535-L540 WeakPolarHBondContact CG-O 3.33Å; K535-L540 PolarHBondContact O-N 3.41Å; L538-L540 HydrophobicContact CB-CD1 4.17Å; L538-L540 HydrophobicContact CB-CD2 3.85Å; L538-L540 HydrophobicContact CB-CG 3.7Å; L538-L540 HydrophobicContact CD1-CD1 4.19Å; L538-L540 PolarHBondContact O-N 2.65Å; L540-I547 HydrophobicContact CB-CD1 4.1Å; L540-I547 HydrophobicContact CD1-CD1 4.09Å; L540-I547 HydrophobicContact CD1-CG1 4.22Å; L540-I547 HydrophobicContact CD1-CG2 4.1Å
541	E	66.2	Low	70.2	Confident	93 Å²	93	33.3 Å²	33.3	44%	0.435	19%	0.193	S	C	.	.			trans	-94	156.4	171.4	-66	176.5	-174.2	0	0	110.7	P234	P234-E541 WeakPolarHBondContact CD-O 3.17Å
542	G	64	Low	69.7	Low	39 Å²	39	33.9 Å²	33.9	40%	0.402	20%	0.197	S	C	.	.	S	Bend	trans	101.6	-168.6	173.4	0	0	0	0	0	116	K535	K535-G542 VanDerWaalsContact CE-O 3.27Å; K535-G542 WeakPolarHBondContact CE-O 3.13Å
543	Q	66.6	Low	69.2	Low	124 Å²	124	39.4 Å²	39.4	58%	0.579	22%	0.221	S	C	*	.			trans	-83.6	157.3	-175.9	-61.5	-167.9	1.6	0	0	112	Y233 P546	Y233-Q543 HydrophobicContact CE1-CB 3.93Å; Y233-Q543 HydrophobicContact CE1-CG 4.23Å; Q543-P546 WeakPolarHBondContact O-CD 3.37Å
544	L	67.9	Low	67.9	Low	17 Å²	17	41 Å²	41	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-72	-34.4	-175.8	-59.2	-178.8	0	0	0	116	K475 M528 A531 A532 K535 I547 L548	K475-L544 HydrophobicContact CD-CD1 4.03Å; K475-L544 HydrophobicContact CG-CD1 3.98Å; M528-L544 HydrophobicContact CE-CB 3.6Å; M528-L544 HydrophobicContact CE-CD1 3.69Å; M528-L544 HydrophobicContact CE-CG 4.27Å; M528-L544 HydrophobicContact SD-CB 4.38Å; A531-L544 HydrophobicContact CB-CB 4.3Å; A532-L544 HydrophobicContact CB-CD1 3.9Å; A532-L544 HydrophobicContact CB-CD2 4Å; K535-L544 HydrophobicContact CB-CD2 4.24Å; K535-L544 HydrophobicContact CD-CD2 3.8Å; L544-I547 WeakPolarHBondContact O-CB 3.48Å; L544-I547 PolarHBondContact O-N 3.28Å; L544-L548 WeakPolarHBondContact O-CB 3.32Å; L544-L548 PolarHBondContact O-N 3.38Å
545	P	67.7	Low	66.6	Low	65 Å²	65	41.4 Å²	41.4	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-42.7	-174.6	-22.2	31.8	0	0	0	115	I547 L548 V549	P545-I547 VanDerWaalsContact C-N 3.34Å; P545-I547 PolarHBondContact O-N 2.96Å; P545-L548 WeakPolarHBondContact O-CB 3.18Å; P545-L548 PolarHBondContact O-N 3.08Å; P545-V549 WeakPolarHBondContact O-CG2 3.47Å; P545-V549 PolarHBondContact O-N 2.8Å; P545-V549 VanDerWaalsContact O-N 3.14Å
546	P	57.3	Low	65.2	Low	30 Å²	30	46.3 Å²	46.3	20%	0.195	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-40.8	174	-25.1	36.4	0	0	0	112.9	Y233 Q543 L548 Q550	Y233-P546 HydrophobicContact CD1-CB 4.24Å; Y233-P546 HydrophobicContact CD1-CG 3.83Å; Y233-P546 HydrophobicContact CD2-CB 3.92Å; Y233-P546 HydrophobicContact CD2-CG 3.52Å; Y233-P546 HydrophobicContact CE1-CG 4.03Å; Y233-P546 HydrophobicContact CE2-CG 3.72Å; Y233-P546 HydrophobicContact CG-CB 3.69Å; Y233-P546 HydrophobicContact CG-CG 3.55Å; Q543-P546 WeakPolarHBondContact O-CD 3.37Å; P546-L548 VanDerWaalsContact C-N 3.35Å; P546-Q550 WeakPolarHBondContact O-CG 3.42Å; P546-Q550 PolarHBondContact O-N 3.23Å
547	I	64.6	Low	64	Low	1 Å²	1	50 Å²	50	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-44.7	176.7	-59.3	174.8	0	0	0	109.8	A531 A534 K535 L540 L544 P545 V549 Q550 M551	A531-I547 HydrophobicContact CB-CG2 4.34Å; A534-I547 HydrophobicContact CB-CG2 3.94Å; K535-I547 HydrophobicContact CB-CD1 3.74Å; K535-I547 HydrophobicContact CD-CD1 4.16Å; K535-I547 HydrophobicContact CG-CD1 3.79Å; L540-I547 HydrophobicContact CB-CD1 4.1Å; L540-I547 HydrophobicContact CD1-CD1 4.09Å; L540-I547 HydrophobicContact CD1-CG1 4.22Å; L540-I547 HydrophobicContact CD1-CG2 4.1Å; L544-I547 WeakPolarHBondContact O-CB 3.48Å; L544-I547 PolarHBondContact O-N 3.28Å; P545-I547 VanDerWaalsContact C-N 3.34Å; P545-I547 PolarHBondContact O-N 2.96Å; I547-V549 PolarHBondContact O-N 3.42Å; I547-Q550 PolarHBondContact O-N 3.24Å; I547-M551 HydrophobicContact CG2-CB 4.27Å; I547-M551 HydrophobicContact CG2-CG 4.02Å; I547-M551 VanDerWaalsContact O-CB 3.23Å; I547-M551 WeakPolarHBondContact O-CB 3.42Å; I547-M551 PolarHBondContact O-N 3.49Å
548	L	64.7	Low	62.7	Low	28 Å²	28	57.7 Å²	57.7	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-55	-55.5	178.9	175.6	68.9	0	0	0	111.5	Q527 M528 A531 L544 P545 P546 Q550 V552	Q527-L548 VanDerWaalsContact C-CD1 3.5Å; Q527-L548 HydrophobicContact CB-CD1 3.51Å; Q527-L548 HydrophobicContact CB-CD2 4.26Å; Q527-L548 HydrophobicContact CG-CD1 4.1Å; Q527-L548 VanDerWaalsContact O-CD1 3.23Å; Q527-L548 WeakPolarHBondContact O-CD1 3.18Å; M528-L548 HydrophobicContact SD-CD2 4.16Å; A531-L548 HydrophobicContact CB-CB 3.82Å; A531-L548 HydrophobicContact CB-CD1 4.19Å; L544-L548 WeakPolarHBondContact O-CB 3.32Å; L544-L548 PolarHBondContact O-N 3.38Å; P545-L548 WeakPolarHBondContact O-CB 3.18Å; P545-L548 PolarHBondContact O-N 3.08Å; P546-L548 VanDerWaalsContact C-N 3.35Å; L548-Q550 PolarHBondContact O-N 3.25Å; L548-Q550 VanDerWaalsContact O-N 3.17Å; L548-V552 HydrophobicContact CD1-CB 3.73Å; L548-V552 HydrophobicContact CD1-CG1 4.02Å; L548-V552 HydrophobicContact CD1-CG2 3.96Å; L548-V552 WeakPolarHBondContact O-CB 3.28Å; L548-V552 PolarHBondContact O-N 3.35Å; L548-V552 VanDerWaalsContact O-N 3.07Å
549	V	62	Low	62.2	Low	123 Å²	123	58.9 Å²	58.9	75%	0.745	34%	0.339	S	S	*	.	H	α-helix	trans	-59	-31.8	-175.4	171.9	0	0	0	0	112	P545 I547	P545-V549 WeakPolarHBondContact O-CG2 3.47Å; P545-V549 PolarHBondContact O-N 2.8Å; P545-V549 VanDerWaalsContact O-N 3.14Å; I547-V549 PolarHBondContact O-N 3.42Å
550	Q	58.7	Low	61.9	Low	55 Å²	55	57.1 Å²	57.1	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-96.6	-38.1	-173	-65.1	177.4	-6.7	0	0	114	V235 P546 I547 L548	V235-Q550 VanDerWaalsContact CG2-NE2 3.28Å; P546-Q550 WeakPolarHBondContact O-CG 3.42Å; P546-Q550 PolarHBondContact O-N 3.23Å; I547-Q550 PolarHBondContact O-N 3.24Å; L548-Q550 PolarHBondContact O-N 3.25Å; L548-Q550 VanDerWaalsContact O-N 3.17Å
551	M	65.7	Low	61.5	Low	18 Å²	18	56.8 Å²	56.8	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-97.3	-33.1	-171	-68.6	-56.8	-59.6	0	0	113.3	I236 L516 A534 L538 I547	I236-M551 HydrophobicContact CB-SD 3.66Å; I236-M551 HydrophobicContact CD1-CE 3.38Å; I236-M551 HydrophobicContact CD1-SD 3.34Å; I236-M551 WeakPolarHBondContact CD1-SD 3.3Å; I236-M551 HydrophobicContact CG1-SD 3.89Å; I236-M551 HydrophobicContact CG2-SD 4.21Å; L516-M551 HydrophobicContact CD2-CE 4.02Å; A534-M551 HydrophobicContact CB-CB 4.37Å; L538-M551 HydrophobicContact CD1-CE 3.73Å; I547-M551 HydrophobicContact CG2-CB 4.27Å; I547-M551 HydrophobicContact CG2-CG 4.02Å; I547-M551 VanDerWaalsContact O-CB 3.23Å; I547-M551 WeakPolarHBondContact O-CB 3.42Å; I547-M551 PolarHBondContact O-N 3.49Å
552	V	70.8	Confident	61.3	Low	12 Å²	12	56.7 Å²	56.7	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.8	-170.3	-175.6	0	0	0	0	108	A520 A530 A531 L548 S554	A520-V552 HydrophobicContact CB-CG1 3.36Å; A530-V552 HydrophobicContact CB-CB 4.33Å; A530-V552 HydrophobicContact CB-CG1 3.7Å; A530-V552 HydrophobicContact CB-CG2 3.6Å; A531-V552 HydrophobicContact CB-CG2 4.34Å; L548-V552 HydrophobicContact CD1-CB 3.73Å; L548-V552 HydrophobicContact CD1-CG1 4.02Å; L548-V552 HydrophobicContact CD1-CG2 3.96Å; L548-V552 WeakPolarHBondContact O-CB 3.28Å; L548-V552 PolarHBondContact O-N 3.35Å; L548-V552 VanDerWaalsContact O-N 3.07Å; V552-S554 PolarHBondContact O-N 2.82Å
553	K	73.7	Confident	61.1	Low	115 Å²	115	58 Å²	58	50%	0.5	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	113.4	171.3	-62.4	-171.7	179.1	-166.7	0	107.6	M518 Y519 A520 A555	M518-K553 PolarHBondContact O-N 3.22Å; Y519-K553 WeakPolarHBondContact CA-O 3.35Å; Y519-K553 HydrophobicContact CD1-CB 4.09Å; Y519-K553 HydrophobicContact CE1-CB 4.4Å; Y519-K553 HydrophobicContact CE1-CD 4.19Å; A520-K553 PolarHBondContact N-O 3.21Å; K553-A555 PolarHBondContact O-N 2.74Å
554	S	61.9	Low	61	Low	34 Å²	34	56 Å²	56	24%	0.238	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	133.2	166.3	-145.9	0	0	0	0	108.1	E522 Q527 V552 N556	E522-S554 WeakPolarHBondContact OE1-CB 3.06Å; E522-S554 PolarHBondContact OE1-OG 3.06Å; E522-S554 PolarHBondContact OE2-OG 2.99Å; Q527-S554 PolarHBondContact NE2-OG 3.44Å; V552-S554 PolarHBondContact O-N 2.82Å; S554-N556 PolarHBondContact O-N 2.8Å
555	A	51.6	Low	60.7	Low	9 Å²	9	62.8 Å²	62.8	7%	0.074	34%	0.343	C	S	.	.			trans	-70.8	54.5	180	0	0	0	0	0	112.2	A520 E522 K553 T557	A520-A555 PolarHBondContact O-N 2.82Å; E522-A555 PolarHBondContact OE1-N 3.35Å; K553-A555 PolarHBondContact O-N 2.74Å; A555-T557 PolarHBondContact O-N 3.33Å
556	N	47.8	Very low	60.7	Low	141 Å²	141	64.7 Å²	64.7	75%	0.754	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	13	162.2	-87.5	-26.4	0	0	0	112.5	E522 S554	E522-N556 PolarHBondContact OE1-N 2.93Å; E522-N556 PolarHBondContact OE1-OD1 3.37Å; S554-N556 PolarHBondContact O-N 2.8Å
557	T	50.4	Low	61.4	Low	81 Å²	81	63.3 Å²	63.3	50%	0.497	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	97.2	174.3	48	0	0	0	0	106.8	A555 G559	A555-T557 PolarHBondContact O-N 3.33Å; T557-G559 PolarHBondContact O-N 3.33Å
558	D	51.2	Low	62	Low	161 Å²	161	69.2 Å²	69.2	86%	0.861	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	38.5	157.2	-50.8	-32.5	0	0	0	119.2	L560	D558-L560 PolarHBondContact O-N 3.25Å
559	G	59.4	Low	62.7	Low	26 Å²	26	73.7 Å²	73.7	27%	0.268	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	27.9	170.1	0	0	0	0	0	112.9	T557 L561 D562	T557-G559 PolarHBondContact O-N 3.33Å; G559-L561 PolarHBondContact O-N 3.04Å; G559-D562 PolarHBondContact O-N 3.17Å
560	L	62.5	Low	63.7	Low	14 Å²	14	72.2 Å²	72.2	7%	0.073	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-32.9	-175.6	-177.3	68.9	0	0	0	113.2	D558 P739 K743 Y785	D558-L560 PolarHBondContact O-N 3.25Å; L560-P739 VanDerWaalsContact CD1-C 3.46Å; L560-P739 HydrophobicContact CD1-CB 4.18Å; L560-P739 WeakPolarHBondContact CD1-O 3.38Å; L560-K743 HydrophobicContact CD1-CB 3.53Å; L560-K743 HydrophobicContact CD1-CG 4.13Å; L560-K743 HydrophobicContact CD2-CB 4.41Å; L560-K743 HydrophobicContact CD2-CG 4.15Å; L560-Y785 HydrophobicContact CD2-CD1 4.33Å; L560-Y785 HydrophobicContact CD2-CE1 4.32Å
561	L	56.7	Low	64.9	Low	7 Å²	7	70.8 Å²	70.8	4%	0.037	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	22.1	-175.4	-61.2	173	0	0	0	112.4	G559 L740 F786 H791	G559-L561 PolarHBondContact O-N 3.04Å; L561-L740 HydrophobicContact CD2-CB 4.4Å; L561-L740 HydrophobicContact CD2-CD1 3.99Å; L561-L740 HydrophobicContact CD2-CD2 3.95Å; L561-L740 HydrophobicContact CD2-CG 4.34Å; L561-F786 WeakPolarHBondContact CD1-O 3.31Å; L561-H791 VanDerWaalsContact C-CE1 3.46Å; L561-H791 VanDerWaalsContact CA-NE2 3.26Å; L561-H791 WeakPolarHBondContact CA-NE2 3.28Å; L561-H791 PolarHBondContact O-CE1 3.25Å; L561-H791 PolarHBondContact O-NE2 3.33Å
562	D	61.9	Low	66	Low	90 Å²	90	74.4 Å²	74.4	48%	0.481	38%	0.383	S	S	.	.	S	Bend	trans	-111.2	141.2	179	-74.7	-32.4	0	0	0	111.1	G559	G559-D562 PolarHBondContact O-N 3.17Å
563	D	59.8	Low	66.9	Low	67 Å²	67	80.4 Å²	80.4	36%	0.358	41%	0.409	S	S	.	.			trans	-70.6	135.3	-175.4	-52.8	-40.8	0	0	0	112.9	R568	D563-R568 PolarHBondContact O-NH2 2.74Å
564	D	64.9	Low	67.7	Low	83 Å²	83	75.1 Å²	75.1	44%	0.444	39%	0.386	S	S	.	.			trans	-72.2	164.7	173.5	-154.7	-20.3	0	0	0	112.5	R568 G735	D564-R568 PolarHBondContact O-NE 3.47Å; D564-R568 PolarHBondContact O-NH2 3.2Å; D564-G735 WeakPolarHBondContact CB-O 3.48Å
565	K	61.8	Low	69.1	Low	158 Å²	158	77.3 Å²	77.3	69%	0.687	39%	0.391	S	S	*	.	H	α-helix	trans	-72.4	-37.3	178.1	-72.5	-179	-178.2	172.7	0	112.3	R568	K565-R568 WeakPolarHBondContact O-CB 3.4Å; K565-R568 PolarHBondContact O-N 3.03Å
566	D	67.4	Low	71.1	Confident	105 Å²	105	79.8 Å²	79.8	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-68.5	-39.9	-174	-66.4	-21.4	0	0	0	111.9	R568 M569	D566-R568 PolarHBondContact O-N 2.49Å; D566-M569 PolarHBondContact O-N 3.25Å; D566-M569 VanDerWaalsContact O-N 3.11Å
567	A	71.2	Confident	73.3	Confident	2 Å²	2	76.8 Å²	76.8	2%	0.017	39%	0.392	C	S	.	.	H	α-helix	trans	-55.8	-36.9	174.1	0	0	0	0	0	112.5	M569 Y570 Q571 I736	A567-M569 VanDerWaalsContact C-N 3.31Å; A567-M569 PolarHBondContact O-N 2.75Å; A567-Y570 PolarHBondContact O-N 3.4Å; A567-Q571 VanDerWaalsContact O-CG 3.28Å; A567-Q571 WeakPolarHBondContact O-CG 3.35Å; A567-Q571 PolarHBondContact O-N 3.09Å; A567-I736 HydrophobicContact CB-CG1 4Å
568	R	78.4	Confident	75.4	Confident	124 Å²	124	73 Å²	73	47%	0.468	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-29.5	-179.2	-76	177.2	-95.7	-156.8	-10.4	113.2	D563 D564 K565 D566 T572	D563-R568 PolarHBondContact O-NH2 2.74Å; D564-R568 PolarHBondContact O-NE 3.47Å; D564-R568 PolarHBondContact O-NH2 3.2Å; K565-R568 WeakPolarHBondContact O-CB 3.4Å; K565-R568 PolarHBondContact O-N 3.03Å; D566-R568 PolarHBondContact O-N 2.49Å; R568-T572 WeakPolarHBondContact O-CB 3.41Å; R568-T572 PolarHBondContact O-N 2.8Å; R568-T572 VanDerWaalsContact O-N 3.07Å; R568-T572 PolarHBondContact O-OG1 2.82Å
569	M	79.5	Confident	77.3	Confident	123 Å²	123	67.8 Å²	67.8	61%	0.606	34%	0.339	S	S	*	.	H	α-helix	trans	-67.3	-46.5	177.1	-71.6	-176.1	62.3	0	0	111.2	D566 A567 T572 K573	D566-M569 PolarHBondContact O-N 3.25Å; D566-M569 VanDerWaalsContact O-N 3.11Å; A567-M569 VanDerWaalsContact C-N 3.31Å; A567-M569 PolarHBondContact O-N 2.75Å; M569-T572 PolarHBondContact O-N 3.27Å; M569-K573 PolarHBondContact O-N 3.12Å
570	Y	81.6	Confident	78.9	Confident	92 Å²	92	70.2 Å²	70.2	36%	0.361	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-45.4	177.1	-72.1	-83.7	0	0	0	111.9	A567 T572 K573 V574 L731	A567-Y570 PolarHBondContact O-N 3.4Å; Y570-T572 PolarHBondContact O-N 3.24Å; Y570-K573 WeakPolarHBondContact O-CB 3.25Å; Y570-K573 PolarHBondContact O-N 3.37Å; Y570-V574 WeakPolarHBondContact O-CG2 3.43Å; Y570-V574 PolarHBondContact O-N 3.04Å; Y570-L731 HydrophobicContact CE1-CD1 4.28Å
571	Q	85.5	Confident	80.3	Confident	25 Å²	25	69.8 Å²	69.8	12%	0.117	35%	0.349	C	S	.	.	H	α-helix	trans	-55.4	-36.4	174.1	-72.1	177.4	-33.4	0	0	112.2	A567 K575 I732	A567-Q571 VanDerWaalsContact O-CG 3.28Å; A567-Q571 WeakPolarHBondContact O-CG 3.35Å; A567-Q571 PolarHBondContact O-N 3.09Å; Q571-K575 WeakPolarHBondContact O-CB 3.25Å; Q571-K575 WeakPolarHBondContact O-CD 3.32Å; Q571-K575 WeakPolarHBondContact O-CG 3.11Å; Q571-K575 PolarHBondContact O-N 3.14Å; Q571-I732 HydrophobicContact CG-CD1 4.17Å; Q571-I732 HydrophobicContact CG-CG1 4.42Å; Q571-I732 HydrophobicContact CG-CG2 3.99Å
572	T	87.5	Confident	82	Confident	94 Å²	94	69.5 Å²	69.5	58%	0.577	35%	0.348	S	S	*	.	H	α-helix	trans	-67.9	-42.1	177.9	-57.8	0	0	0	0	111.9	R568 M569 Y570 K575 A576	R568-T572 WeakPolarHBondContact O-CB 3.41Å; R568-T572 PolarHBondContact O-N 2.8Å; R568-T572 VanDerWaalsContact O-N 3.07Å; R568-T572 PolarHBondContact O-OG1 2.82Å; M569-T572 PolarHBondContact O-N 3.27Å; Y570-T572 PolarHBondContact O-N 3.24Å; T572-K575 PolarHBondContact O-N 3.11Å; T572-A576 WeakPolarHBondContact O-CB 3.41Å; T572-A576 PolarHBondContact O-N 3.24Å
573	K	89.5	Confident	83.4	Confident	138 Å²	138	67 Å²	67	60%	0.6	33%	0.333	S	S	*	.	H	α-helix	trans	-61.5	-46.3	175.6	-69.7	179.3	179.4	177.5	0	111.3	M569 Y570 A576 F577	M569-K573 PolarHBondContact O-N 3.12Å; Y570-K573 WeakPolarHBondContact O-CB 3.25Å; Y570-K573 PolarHBondContact O-N 3.37Å; K573-A576 WeakPolarHBondContact O-CB 3.23Å; K573-A576 PolarHBondContact O-N 3.44Å; K573-F577 PolarHBondContact O-N 3.23Å
574	V	91.2	Very high	84.9	Confident	3 Å²	3	67 Å²	67	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-44	179.7	176	0	0	0	0	111.5	Y570 A576 F577 L578 Q720 I724	Y570-V574 WeakPolarHBondContact O-CG2 3.43Å; Y570-V574 PolarHBondContact O-N 3.04Å; V574-A576 VanDerWaalsContact C-N 3.28Å; V574-A576 PolarHBondContact O-N 3.47Å; V574-F577 WeakPolarHBondContact O-CB 3.48Å; V574-F577 PolarHBondContact O-N 2.92Å; V574-F577 VanDerWaalsContact O-N 3.15Å; V574-L578 HydrophobicContact CG1-CD1 4.25Å; V574-L578 HydrophobicContact CG1-CG 4.41Å; V574-L578 WeakPolarHBondContact O-CG 3.44Å; V574-L578 PolarHBondContact O-N 3.3Å; V574-Q720 WeakPolarHBondContact CG1-O 3.24Å; V574-I724 HydrophobicContact CG1-CD1 3.88Å; V574-I724 HydrophobicContact CG1-CG1 3.75Å
575	K	91.5	Very high	86.1	Confident	80 Å²	80	66.8 Å²	66.8	35%	0.348	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-37.8	174.1	-74	169.3	-168.5	-100.1	0	112.2	Q571 T572 L578 H579 E721	Q571-K575 WeakPolarHBondContact O-CB 3.25Å; Q571-K575 WeakPolarHBondContact O-CD 3.32Å; Q571-K575 WeakPolarHBondContact O-CG 3.11Å; Q571-K575 PolarHBondContact O-N 3.14Å; T572-K575 PolarHBondContact O-N 3.11Å; K575-L578 PolarHBondContact O-N 2.94Å; K575-H579 VanDerWaalsContact O-CB 3.32Å; K575-H579 WeakPolarHBondContact O-CB 3.43Å; K575-H579 PolarHBondContact O-N 3.44Å; K575-E721 HydrophobicContact CG-CG 4.15Å; K575-E721 IonicContact NZ-OE1 3.8Å; K575-E721 PolarHBondContact NZ-OE1 2.92Å; K575-E721 IonicContact NZ-OE2 2.64Å; K575-E721 PolarHBondContact NZ-OE2 3.49Å
576	A	92.7	Very high	87.6	Confident	62 Å²	62	63.2 Å²	63.2	51%	0.512	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-41.2	175.5	0	0	0	0	0	112	T572 K573 V574 H579 S580	T572-A576 WeakPolarHBondContact O-CB 3.41Å; T572-A576 PolarHBondContact O-N 3.24Å; K573-A576 WeakPolarHBondContact O-CB 3.23Å; K573-A576 PolarHBondContact O-N 3.44Å; V574-A576 VanDerWaalsContact C-N 3.28Å; V574-A576 PolarHBondContact O-N 3.47Å; A576-H579 PolarHBondContact O-N 3.49Å; A576-S580 PolarHBondContact O-N 3.01Å
577	F	94.5	Very high	88.8	Confident	78 Å²	78	62.8 Å²	62.8	34%	0.342	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-49.5	173.1	174.7	-91.8	0	0	0	111.7	K573 V574 H579 S580 F581 I596 I724	K573-F577 PolarHBondContact O-N 3.23Å; V574-F577 WeakPolarHBondContact O-CB 3.48Å; V574-F577 PolarHBondContact O-N 2.92Å; V574-F577 VanDerWaalsContact O-N 3.15Å; F577-H579 VanDerWaalsContact C-N 3.27Å; F577-H579 PolarHBondContact O-N 3.07Å; F577-S580 WeakPolarHBondContact O-CA 3.46Å; F577-S580 WeakPolarHBondContact O-CB 2.92Å; F577-S580 PolarHBondContact O-N 3.09Å; F577-F581 HydrophobicContact CE1-CB 4.21Å; F577-F581 HydrophobicContact CE1-CD2 4.42Å; F577-F581 HydrophobicContact CE1-CG 4.4Å; F577-F581 HydrophobicContact CZ-CB 4.41Å; F577-F581 HydrophobicContact CZ-CD2 4.07Å; F577-F581 HydrophobicContact CZ-CG 4.47Å; F577-F581 WeakPolarHBondContact O-CB 3.29Å; F577-F581 PolarHBondContact O-N 2.86Å; F577-I596 HydrophobicContact CD1-CD1 4.46Å; F577-I596 HydrophobicContact CE1-CD1 3.81Å; F577-I724 HydrophobicContact CB-CD1 4.47Å; F577-I724 HydrophobicContact CD1-CD1 3.16Å; F577-I724 HydrophobicContact CE1-CD1 3.5Å; F577-I724 HydrophobicContact CG-CD1 4Å
578	L	93.8	Very high	89.8	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-56.4	-42.7	177.5	-69.3	174.5	0	0	0	111.7	V574 K575 S580 F581 L582 I596 Q720 E721	V574-L578 HydrophobicContact CG1-CD1 4.25Å; V574-L578 HydrophobicContact CG1-CG 4.41Å; V574-L578 WeakPolarHBondContact O-CG 3.44Å; V574-L578 PolarHBondContact O-N 3.3Å; K575-L578 PolarHBondContact O-N 2.94Å; L578-S580 VanDerWaalsContact C-N 3.29Å; L578-S580 PolarHBondContact O-N 3.33Å; L578-F581 PolarHBondContact O-N 3.43Å; L578-L582 WeakPolarHBondContact O-CB 3.09Å; L578-L582 WeakPolarHBondContact O-CG 3.44Å; L578-L582 PolarHBondContact O-N 3.28Å; L578-I596 HydrophobicContact CD2-CD1 3.48Å; L578-I596 VanDerWaalsContact CD2-CD1 3.48Å; L578-Q720 HydrophobicContact CD1-CB 4.04Å; L578-Q720 HydrophobicContact CD2-CB 3.84Å; L578-Q720 HydrophobicContact CG-CB 4.48Å; L578-E721 HydrophobicContact CD1-CG 4.26Å
579	H	92.5	Very high	90.4	Very high	51 Å²	51	60.8 Å²	60.8	24%	0.236	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-24.6	176.2	-168	-64.7	0	0	0	113.5	K575 A576 F577 Q583 F674 I676	K575-H579 VanDerWaalsContact O-CB 3.32Å; K575-H579 WeakPolarHBondContact O-CB 3.43Å; K575-H579 PolarHBondContact O-N 3.44Å; A576-H579 PolarHBondContact O-N 3.49Å; F577-H579 VanDerWaalsContact C-N 3.27Å; F577-H579 PolarHBondContact O-N 3.07Å; H579-Q583 WeakPolarHBondContact O-CG 3.49Å; H579-Q583 PolarHBondContact O-OE1 2.69Å; H579-F674 PolarHBondContact CE1-O 3.15Å; H579-F674 PolarHBondContact NE2-O 3.43Å; H579-F674 VanDerWaalsContact NE2-O 3.14Å; H579-I676 HydrophobicContact CB-CG1 4.41Å
580	S	92.1	Very high	91	Very high	76 Å²	76	60.1 Å²	60.1	53%	0.531	31%	0.314	S	S	.	.	H	α-helix	trans	-83.2	-38.4	173.4	-172.6	0	0	0	0	111.6	A576 F577 L578	A576-S580 PolarHBondContact O-N 3.01Å; F577-S580 WeakPolarHBondContact O-CA 3.46Å; F577-S580 WeakPolarHBondContact O-CB 2.92Å; F577-S580 PolarHBondContact O-N 3.09Å; L578-S580 VanDerWaalsContact C-N 3.29Å; L578-S580 PolarHBondContact O-N 3.33Å
581	F	93.2	Very high	91.4	Very high	6 Å²	6	62 Å²	62	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-73.4	-48.6	-173.9	-176.3	-90.4	0	0	0	111.9	F577 L578 Q583 Q584 L588 D592 I596	F577-F581 HydrophobicContact CE1-CB 4.21Å; F577-F581 HydrophobicContact CE1-CD2 4.42Å; F577-F581 HydrophobicContact CE1-CG 4.4Å; F577-F581 HydrophobicContact CZ-CB 4.41Å; F577-F581 HydrophobicContact CZ-CD2 4.07Å; F577-F581 HydrophobicContact CZ-CG 4.47Å; F577-F581 WeakPolarHBondContact O-CB 3.29Å; F577-F581 PolarHBondContact O-N 2.86Å; L578-F581 PolarHBondContact O-N 3.43Å; F581-Q583 PolarHBondContact O-N 2.98Å; F581-Q583 VanDerWaalsContact O-N 3.07Å; F581-Q584 WeakPolarHBondContact O-CB 3.43Å; F581-Q584 WeakPolarHBondContact O-CG 3.48Å; F581-Q584 PolarHBondContact O-N 3.17Å; F581-L588 HydrophobicContact CE1-CD2 3.91Å; F581-L588 HydrophobicContact CZ-CD2 3.72Å; F581-D592 HydrophobicContact CE2-CB 4.11Å; F581-D592 HydrophobicContact CZ-CB 4.03Å; F581-D592 WeakPolarHBondContact CZ-O 3.46Å; F581-I596 HydrophobicContact CD1-CB 4.37Å; F581-I596 HydrophobicContact CD1-CD1 4.29Å; F581-I596 HydrophobicContact CD1-CG1 4.26Å; F581-I596 HydrophobicContact CE1-CB 3.84Å; F581-I596 HydrophobicContact CE1-CG1 4.02Å; F581-I596 HydrophobicContact CE1-CG2 3.97Å; F581-I596 HydrophobicContact CE2-CB 4.3Å; F581-I596 HydrophobicContact CZ-CB 3.79Å; F581-I596 HydrophobicContact CZ-CG1 4.48Å; F581-I596 HydrophobicContact CZ-CG2 3.83Å
582	L	92.5	Very high	91.8	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-1.4	-176.7	-64.6	173.5	0	0	0	113.8	L578 P614 I676 M713 V717	L578-L582 WeakPolarHBondContact O-CB 3.09Å; L578-L582 WeakPolarHBondContact O-CG 3.44Å; L578-L582 PolarHBondContact O-N 3.28Å; L582-P614 HydrophobicContact CB-CB 4.22Å; L582-P614 HydrophobicContact CD2-CB 3.6Å; L582-P614 HydrophobicContact CD2-CG 4.4Å; L582-I676 HydrophobicContact CB-CD1 3.72Å; L582-I676 HydrophobicContact CB-CG1 4.09Å; L582-I676 HydrophobicContact CD1-CD1 4.19Å; L582-I676 HydrophobicContact CD1-CG1 4.35Å; L582-I676 HydrophobicContact CD1-CG2 3.73Å; L582-M713 HydrophobicContact CD1-CE 4.27Å; L582-M713 HydrophobicContact CD2-CE 4.36Å; L582-V717 HydrophobicContact CD1-CG2 3.63Å
583	Q	90.8	Very high	92	Very high	36 Å²	36	58.2 Å²	58.2	17%	0.168	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.7	-179.1	-90.8	48.4	28.3	0	0	111.1	H579 F581 D585 R615 V673 F674 I676	H579-Q583 WeakPolarHBondContact O-CG 3.49Å; H579-Q583 PolarHBondContact O-OE1 2.69Å; F581-Q583 PolarHBondContact O-N 2.98Å; F581-Q583 VanDerWaalsContact O-N 3.07Å; Q583-D585 PolarHBondContact O-N 2.96Å; Q583-R615 WeakPolarHBondContact O-CD 3.23Å; Q583-V673 HydrophobicContact CG-CG1 4.34Å; Q583-F674 PolarHBondContact NE2-O 2.86Å; Q583-I676 VanDerWaalsContact NE2-CG1 3.31Å
584	Q	90	Very high	92.2	Very high	67 Å²	67	57.7 Å²	57.7	31%	0.313	30%	0.302	S	S	.	.			trans	-73.2	124.9	-178.7	-61.1	179.4	13.4	0	0	110.4	F581 K586	F581-Q584 WeakPolarHBondContact O-CB 3.43Å; F581-Q584 WeakPolarHBondContact O-CG 3.48Å; F581-Q584 PolarHBondContact O-N 3.17Å; Q584-K586 VanDerWaalsContact C-N 3.28Å; Q584-K586 HydrophobicContact CB-CG 4.22Å; Q584-K586 PolarHBondContact O-N 2.83Å
585	D	91.5	Very high	92.2	Very high	80 Å²	80	63.3 Å²	63.3	43%	0.428	33%	0.327	S	S	.	.			trans	-90.7	61.3	178.1	-155.8	-11.2	0	0	0	111.4	Q583 N613 R615 R616	Q583-D585 PolarHBondContact O-N 2.96Å; D585-N613 PolarHBondContact OD1-ND2 3.27Å; D585-R615 HydrophobicContact CB-CB 4.24Å; D585-R615 VanDerWaalsContact CB-CD 3.43Å; D585-R615 HydrophobicContact CB-CG 4.47Å; D585-R615 IonicContact OD2-CZ 3.55Å; D585-R615 IonicContact OD2-NH1 2.71Å; D585-R615 PolarHBondContact OD2-NH1 3.01Å; D585-R616 IonicContact OD1-NE 3.55Å
586	K	92.7	Very high	92.2	Very high	82 Å²	82	59.5 Å²	59.5	36%	0.357	31%	0.31	S	S	.	.	S	Bend	trans	-138.7	154.5	175.9	59.5	166.3	178	156	0	110.5	Q584 D592 N613	Q584-K586 VanDerWaalsContact C-N 3.28Å; Q584-K586 HydrophobicContact CB-CG 4.22Å; Q584-K586 PolarHBondContact O-N 2.83Å; K586-D592 WeakPolarHBondContact CE-OD2 3.47Å; K586-D592 IonicContact NZ-OD1 3.06Å; K586-D592 PolarHBondContact NZ-OD1 3.22Å; K586-D592 IonicContact NZ-OD2 2.71Å; K586-D592 PolarHBondContact NZ-OD2 2.93Å; K586-N613 PolarHBondContact N-ND2 3.08Å
587	E	92.7	Very high	92.3	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-63.9	133.1	165.4	-61.5	-60.1	143.1	0	0	108.5	T589 R612 R616	E587-T589 PolarHBondContact O-N 3.33Å; E587-R612 WeakPolarHBondContact OE2-CB 3.42Å; E587-R616 IonicContact OE1-NH1 3.13Å; E587-R616 PolarHBondContact OE1-NH1 3.2Å
588	L	91.6	Very high	92.2	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.162	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69.9	124.4	-176.4	-67.7	168.4	0	0	0	110.8	F581 D592 I593 L608 R612 P614	F581-L588 HydrophobicContact CE1-CD2 3.91Å; F581-L588 HydrophobicContact CZ-CD2 3.72Å; L588-D592 HydrophobicContact CD2-CB 3.96Å; L588-I593 HydrophobicContact CB-CG1 4.4Å; L588-L608 HydrophobicContact CD1-CD2 3.73Å; L588-R612 VanDerWaalsContact CG-O 3.22Å; L588-R612 WeakPolarHBondContact CG-O 3.42Å; L588-R612 PolarHBondContact N-O 3.01Å; L588-P614 HydrophobicContact CD2-CG 4.43Å
589	T	92.4	Very high	92.1	Very high	52 Å²	52	57.4 Å²	57.4	32%	0.319	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-80.6	163.3	172.6	65.3	0	0	0	0	111	E587 E591 D592 I593	E587-T589 PolarHBondContact O-N 3.33Å; T589-E591 PolarHBondContact O-N 3.39Å; T589-D592 WeakPolarHBondContact CB-OD2 3.21Å; T589-D592 PolarHBondContact N-OD2 3.22Å; T589-D592 WeakPolarHBondContact O-CB 3.4Å; T589-D592 PolarHBondContact O-N 3.13Å; T589-D592 PolarHBondContact OG1-N 2.96Å; T589-D592 PolarHBondContact OG1-OD2 2.93Å; T589-I593 WeakPolarHBondContact O-CG1 2.93Å; T589-I593 PolarHBondContact O-N 2.76Å
590	P	91.1	Very high	91.9	Very high	109 Å²	109	62.7 Å²	62.7	71%	0.708	32%	0.321	S	S	*	.	H	α-helix	trans	-54	-36.6	172.4	-26.9	36	0	0	0	113.4	I593 E594	P590-I593 WeakPolarHBondContact O-CB 3.4Å; P590-I593 PolarHBondContact O-N 3.37Å; P590-E594 PolarHBondContact O-N 3.37Å
591	E	91.4	Very high	91.9	Very high	132 Å²	132	60 Å²	60	62%	0.617	30%	0.302	S	S	*	.	H	α-helix	trans	-67.7	-37.5	176.4	-64.2	161.5	-161.8	0	0	112.2	T589 I593 E594 K595	T589-E591 PolarHBondContact O-N 3.39Å; E591-I593 VanDerWaalsContact C-N 3.33Å; E591-E594 PolarHBondContact O-N 3.1Å; E591-K595 WeakPolarHBondContact O-CG 3.41Å; E591-K595 PolarHBondContact O-N 2.98Å
592	D	92.7	Very high	91.7	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.027	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-39.1	174.7	-62.6	-51.3	0	0	0	111	F581 K586 L588 T589 K595 I596	F581-D592 HydrophobicContact CE2-CB 4.11Å; F581-D592 HydrophobicContact CZ-CB 4.03Å; F581-D592 WeakPolarHBondContact CZ-O 3.46Å; K586-D592 WeakPolarHBondContact CE-OD2 3.47Å; K586-D592 IonicContact NZ-OD1 3.06Å; K586-D592 PolarHBondContact NZ-OD1 3.22Å; K586-D592 IonicContact NZ-OD2 2.71Å; K586-D592 PolarHBondContact NZ-OD2 2.93Å; L588-D592 HydrophobicContact CD2-CB 3.96Å; T589-D592 WeakPolarHBondContact CB-OD2 3.21Å; T589-D592 PolarHBondContact N-OD2 3.22Å; T589-D592 WeakPolarHBondContact O-CB 3.4Å; T589-D592 PolarHBondContact O-N 3.13Å; T589-D592 PolarHBondContact OG1-N 2.96Å; T589-D592 PolarHBondContact OG1-OD2 2.93Å; D592-K595 PolarHBondContact O-N 3.22Å; D592-I596 WeakPolarHBondContact O-CG2 3.42Å; D592-I596 PolarHBondContact O-N 3.45Å
593	I	91.7	Very high	91.6	Very high	34 Å²	34	62.9 Å²	62.9	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-43.8	175.4	-67.2	171.7	0	0	0	110.5	L588 T589 P590 E591 K595 I596 N597 Q605 L608	L588-I593 HydrophobicContact CB-CG1 4.4Å; T589-I593 WeakPolarHBondContact O-CG1 2.93Å; T589-I593 PolarHBondContact O-N 2.76Å; P590-I593 WeakPolarHBondContact O-CB 3.4Å; P590-I593 PolarHBondContact O-N 3.37Å; E591-I593 VanDerWaalsContact C-N 3.33Å; I593-K595 PolarHBondContact O-N 3.02Å; I593-I596 WeakPolarHBondContact O-CG2 3.21Å; I593-I596 PolarHBondContact O-N 3.15Å; I593-N597 WeakPolarHBondContact O-CA 3.49Å; I593-N597 WeakPolarHBondContact O-CB 3.48Å; I593-N597 PolarHBondContact O-N 2.85Å; I593-Q605 VanDerWaalsContact CG2-OE1 3.29Å; I593-L608 HydrophobicContact CG1-CD1 4.42Å; I593-L608 HydrophobicContact CG2-CD1 4.05Å
594	E	92.8	Very high	91.6	Very high	127 Å²	127	61.3 Å²	61.3	59%	0.593	31%	0.313	S	S	*	.	H	α-helix	trans	-65.4	-37.9	178.4	-173.6	168.7	-156.6	0	0	112.4	P590 E591 I596 N597 P598	P590-E594 PolarHBondContact O-N 3.37Å; E591-E594 PolarHBondContact O-N 3.1Å; E594-I596 PolarHBondContact O-N 3.04Å; E594-N597 CarbonylContact O-C 3.49Å; E594-P598 WeakPolarHBondContact O-CA 3.34Å; E594-P598 WeakPolarHBondContact O-CD 3.45Å; E594-P598 VanDerWaalsContact O-N 3.14Å
595	K	92.1	Very high	91.8	Very high	122 Å²	122	60.2 Å²	60.2	53%	0.53	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-40.9	176	-75.4	169.6	-172.8	164.6	0	113.1	E591 D592 I593	E591-K595 WeakPolarHBondContact O-CG 3.41Å; E591-K595 PolarHBondContact O-N 2.98Å; D592-K595 PolarHBondContact O-N 3.22Å; I593-K595 PolarHBondContact O-N 3.02Å
596	I	92.3	Very high	91.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-89.8	-23.9	-177.8	-170	61.7	0	0	0	112.7	F577 L578 F581 D592 I593 E594 P598 L608 I716 Q720	F577-I596 HydrophobicContact CD1-CD1 4.46Å; F577-I596 HydrophobicContact CE1-CD1 3.81Å; L578-I596 HydrophobicContact CD2-CD1 3.48Å; L578-I596 VanDerWaalsContact CD2-CD1 3.48Å; F581-I596 HydrophobicContact CD1-CB 4.37Å; F581-I596 HydrophobicContact CD1-CD1 4.29Å; F581-I596 HydrophobicContact CD1-CG1 4.26Å; F581-I596 HydrophobicContact CE1-CB 3.84Å; F581-I596 HydrophobicContact CE1-CG1 4.02Å; F581-I596 HydrophobicContact CE1-CG2 3.97Å; F581-I596 HydrophobicContact CE2-CB 4.3Å; F581-I596 HydrophobicContact CZ-CB 3.79Å; F581-I596 HydrophobicContact CZ-CG1 4.48Å; F581-I596 HydrophobicContact CZ-CG2 3.83Å; D592-I596 WeakPolarHBondContact O-CG2 3.42Å; D592-I596 PolarHBondContact O-N 3.45Å; I593-I596 WeakPolarHBondContact O-CG2 3.21Å; I593-I596 PolarHBondContact O-N 3.15Å; E594-I596 PolarHBondContact O-N 3.04Å; I596-P598 VanDerWaalsContact C-CD 3.41Å; I596-L608 HydrophobicContact CG2-CD1 3.63Å; I596-L608 HydrophobicContact CG2-CD2 3.91Å; I596-L608 HydrophobicContact CG2-CG 4.44Å; I596-I716 HydrophobicContact CG1-CG2 4.2Å; I596-Q720 PolarHBondContact O-NE2 2.82Å
597	N	94.2	Very high	91.8	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.016	29%	0.287	C	S	.	.			trans	-128.6	56.5	-178	-169.4	23.4	0	0	0	112	I593 E594 T599 K600 S601 I604 L608	I593-N597 WeakPolarHBondContact O-CA 3.49Å; I593-N597 WeakPolarHBondContact O-CB 3.48Å; I593-N597 PolarHBondContact O-N 2.85Å; E594-N597 CarbonylContact O-C 3.49Å; N597-T599 PolarHBondContact O-N 3.27Å; N597-K600 PolarHBondContact O-N 3.36Å; N597-K600 PolarHBondContact OD1-N 3.25Å; N597-S601 PolarHBondContact ND2-N 2.9Å; N597-S601 PolarHBondContact ND2-O 3.39Å; N597-S601 PolarHBondContact OD1-N 3.48Å; N597-I604 HydrophobicContact CB-CB 4.46Å; N597-I604 HydrophobicContact CB-CG2 3.72Å; N597-L608 HydrophobicContact CB-CD1 4.16Å
598	P	93.1	Very high	91.9	Very high	55 Å²	55	51.2 Å²	51.2	36%	0.357	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.4	-176.8	27.9	-36.1	0	0	0	112.6	E594 I596 K600 I724	E594-P598 WeakPolarHBondContact O-CA 3.34Å; E594-P598 WeakPolarHBondContact O-CD 3.45Å; E594-P598 VanDerWaalsContact O-N 3.14Å; I596-P598 VanDerWaalsContact C-CD 3.41Å; P598-K600 PolarHBondContact O-N 2.78Å; P598-I724 HydrophobicContact CG-CG2 3.86Å; P598-I724 WeakPolarHBondContact CG-O 3.3Å
599	T	89.8	Confident	91.9	Very high	40 Å²	40	57.3 Å²	57.3	25%	0.245	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.3	175.6	54.6	0	0	0	0	113.3	N597 S601 A726 K729 F801	N597-T599 PolarHBondContact O-N 3.27Å; T599-S601 VanDerWaalsContact C-N 3.28Å; T599-S601 PolarHBondContact O-N 3.33Å; T599-A726 HydrophobicContact CG2-CB 4.36Å; T599-K729 HydrophobicContact CG2-CD 4.4Å; T599-F801 HydrophobicContact CG2-CE1 3.8Å; T599-F801 HydrophobicContact CG2-CZ 3.84Å
600	K	90.1	Very high	91.9	Very high	161 Å²	161	59.1 Å²	59.1	70%	0.7	29%	0.291	S	S	*	.			trans	55.1	38.6	177.6	-56.8	179.8	-178.2	178	0	113.3	N597 P598 T602	N597-K600 PolarHBondContact O-N 3.36Å; N597-K600 PolarHBondContact OD1-N 3.25Å; P598-K600 PolarHBondContact O-N 2.78Å; K600-T602 PolarHBondContact O-N 3.1Å
601	S	90.2	Very high	92.1	Very high	21 Å²	21	54.3 Å²	54.3	15%	0.147	26%	0.259	C	S	.	.			trans	-61.6	131.3	175.9	169.4	0	0	0	0	111.1	N597 T599 I604 Q605 S821	N597-S601 PolarHBondContact ND2-N 2.9Å; N597-S601 PolarHBondContact ND2-O 3.39Å; N597-S601 PolarHBondContact OD1-N 3.48Å; T599-S601 VanDerWaalsContact C-N 3.28Å; T599-S601 PolarHBondContact O-N 3.33Å; S601-I604 PolarHBondContact O-N 3.46Å; S601-Q605 VanDerWaalsContact O-CB 3.31Å; S601-Q605 WeakPolarHBondContact O-CB 3.21Å; S601-Q605 PolarHBondContact O-N 2.56Å; S601-S821 PolarHBondContact OG-O 3.01Å
602	T	90.3	Very high	92.1	Very high	61 Å²	61	56.3 Å²	56.3	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-43.4	-179.6	-53.1	0	0	0	0	111.2	K600 Q605 N606 S821	K600-T602 PolarHBondContact O-N 3.1Å; T602-Q605 WeakPolarHBondContact O-CB 3.39Å; T602-Q605 PolarHBondContact O-N 3.03Å; T602-N606 WeakPolarHBondContact O-CB 3.34Å; T602-N606 VanDerWaalsContact O-CG 3.24Å; T602-N606 PolarHBondContact O-N 3.25Å; T602-N606 PolarHBondContact O-ND2 3.25Å; T602-S821 WeakPolarHBondContact CB-O 3.43Å; T602-S821 PolarHBondContact N-O 3.39Å; T602-S821 VanDerWaalsContact N-O 3.13Å; T602-S821 PolarHBondContact OG1-OG 2.97Å
603	T	89.2	Confident	92.3	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-53.1	175.9	-68.1	0	0	0	0	111.6	Q605 N606 A607 D715 S821 S822 V823 T824	T603-Q605 VanDerWaalsContact C-N 3.28Å; T603-Q605 PolarHBondContact O-N 3.01Å; T603-N606 PolarHBondContact O-N 3.23Å; T603-A607 WeakPolarHBondContact O-CB 3.28Å; T603-A607 PolarHBondContact O-N 3.01Å; T603-D715 HydrophobicContact CG2-CB 3.97Å; T603-S821 PolarHBondContact N-O 2.9Å; T603-S821 PolarHBondContact OG1-O 3.4Å; T603-S822 PolarHBondContact OG1-O 3.49Å; T603-V823 VanDerWaalsContact OG1-C 3.23Å; T603-V823 PolarHBondContact OG1-O 3.03Å; T603-T824 HydrophobicContact CG2-CG2 4.17Å
604	I	92.4	Very high	92.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-40.1	-178	-61.7	178.9	0	0	0	109.4	N597 S601 N606 A607 L608 I716 F719 Q720	N597-I604 HydrophobicContact CB-CB 4.46Å; N597-I604 HydrophobicContact CB-CG2 3.72Å; S601-I604 PolarHBondContact O-N 3.46Å; I604-N606 PolarHBondContact O-N 3.38Å; I604-A607 PolarHBondContact O-N 2.84Å; I604-L608 HydrophobicContact CG2-CD1 3.77Å; I604-L608 HydrophobicContact CG2-CG 4.26Å; I604-L608 WeakPolarHBondContact O-CB 3.49Å; I604-L608 WeakPolarHBondContact O-CD1 3.22Å; I604-L608 WeakPolarHBondContact O-CG 3.49Å; I604-L608 PolarHBondContact O-N 2.9Å; I604-I716 HydrophobicContact CG2-CG1 4.33Å; I604-F719 HydrophobicContact CD1-CB 4.42Å; I604-Q720 HydrophobicContact CD1-CG 4.12Å
605	Q	93.1	Very high	92.4	Very high	44 Å²	44	51.6 Å²	51.6	21%	0.206	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-43.9	176.4	-171	64.6	48	0	0	112.4	I593 S601 T602 T603 L608 R609	I593-Q605 VanDerWaalsContact CG2-OE1 3.29Å; S601-Q605 VanDerWaalsContact O-CB 3.31Å; S601-Q605 WeakPolarHBondContact O-CB 3.21Å; S601-Q605 PolarHBondContact O-N 2.56Å; T602-Q605 WeakPolarHBondContact O-CB 3.39Å; T602-Q605 PolarHBondContact O-N 3.03Å; T603-Q605 VanDerWaalsContact C-N 3.28Å; T603-Q605 PolarHBondContact O-N 3.01Å; Q605-L608 PolarHBondContact O-N 2.98Å; Q605-R609 VanDerWaalsContact O-CG 3.3Å; Q605-R609 WeakPolarHBondContact O-CG 3.27Å; Q605-R609 PolarHBondContact O-N 3.1Å
606	N	91.7	Very high	92.6	Very high	67 Å²	67	53.1 Å²	53.1	36%	0.358	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-43.1	178.4	-71.2	-19.1	0	0	0	111.5	T602 T603 I604 R609 F610	T602-N606 WeakPolarHBondContact O-CB 3.34Å; T602-N606 VanDerWaalsContact O-CG 3.24Å; T602-N606 PolarHBondContact O-N 3.25Å; T602-N606 PolarHBondContact O-ND2 3.25Å; T603-N606 PolarHBondContact O-N 3.23Å; I604-N606 PolarHBondContact O-N 3.38Å; N606-R609 PolarHBondContact O-N 3.05Å; N606-F610 PolarHBondContact O-N 3.23Å
607	A	93	Very high	92.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-46.4	174.8	0	0	0	0	0	111.9	T603 I604 R609 F610 I611 H712 D715 I716	T603-A607 WeakPolarHBondContact O-CB 3.28Å; T603-A607 PolarHBondContact O-N 3.01Å; I604-A607 PolarHBondContact O-N 2.84Å; A607-R609 PolarHBondContact O-N 3.45Å; A607-F610 PolarHBondContact O-N 2.7Å; A607-I611 HydrophobicContact CB-CD1 4.49Å; A607-I611 WeakPolarHBondContact O-CB 3.37Å; A607-I611 WeakPolarHBondContact O-CD1 3.42Å; A607-I611 VanDerWaalsContact O-CG1 3.24Å; A607-I611 WeakPolarHBondContact O-CG1 3.42Å; A607-I611 PolarHBondContact O-N 3.26Å; A607-H712 HydrophobicContact CB-CB 4.29Å; A607-H712 WeakPolarHBondContact CB-O 3.46Å; A607-D715 HydrophobicContact CB-CB 4.24Å; A607-I716 HydrophobicContact CB-CD1 3.97Å; A607-I716 HydrophobicContact CB-CG1 3.71Å
608	L	93.8	Very high	92.8	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-41.4	177.7	-70.3	165.7	0	0	0	112.1	L588 I593 I596 N597 I604 Q605 F610 I611 R612 I716	L588-L608 HydrophobicContact CD1-CD2 3.73Å; I593-L608 HydrophobicContact CG1-CD1 4.42Å; I593-L608 HydrophobicContact CG2-CD1 4.05Å; I596-L608 HydrophobicContact CG2-CD1 3.63Å; I596-L608 HydrophobicContact CG2-CD2 3.91Å; I596-L608 HydrophobicContact CG2-CG 4.44Å; N597-L608 HydrophobicContact CB-CD1 4.16Å; I604-L608 HydrophobicContact CG2-CD1 3.77Å; I604-L608 HydrophobicContact CG2-CG 4.26Å; I604-L608 WeakPolarHBondContact O-CB 3.49Å; I604-L608 WeakPolarHBondContact O-CD1 3.22Å; I604-L608 WeakPolarHBondContact O-CG 3.49Å; I604-L608 PolarHBondContact O-N 2.9Å; Q605-L608 PolarHBondContact O-N 2.98Å; L608-F610 VanDerWaalsContact C-N 3.33Å; L608-F610 PolarHBondContact O-N 3.38Å; L608-I611 PolarHBondContact O-N 2.68Å; L608-R612 PolarHBondContact O-N 3.23Å; L608-I716 HydrophobicContact CD2-CD1 3.55Å; L608-I716 HydrophobicContact CG-CD1 3.82Å
609	R	92.7	Very high	92.9	Very high	160 Å²	160	53.4 Å²	53.4	60%	0.604	24%	0.24	S	C	*	.	H	α-helix	trans	-63.1	-36.8	176	-76.4	173.5	179.6	171.6	0.9	112.8	Q605 N606 A607 R612	Q605-R609 VanDerWaalsContact O-CG 3.3Å; Q605-R609 WeakPolarHBondContact O-CG 3.27Å; Q605-R609 PolarHBondContact O-N 3.1Å; N606-R609 PolarHBondContact O-N 3.05Å; A607-R609 PolarHBondContact O-N 3.45Å; R609-R612 WeakPolarHBondContact O-CG 3.43Å
610	F	93.1	Very high	93.2	Very high	89 Å²	89	55.5 Å²	55.5	39%	0.39	25%	0.245	S	C	.	.	H	α-helix	trans	-71.4	-43.9	175.7	-177.4	-90.9	0	0	0	111.6	N606 A607 L608 M617 V708 H712	N606-F610 PolarHBondContact O-N 3.23Å; A607-F610 PolarHBondContact O-N 2.7Å; L608-F610 VanDerWaalsContact C-N 3.33Å; L608-F610 PolarHBondContact O-N 3.38Å; F610-M617 HydrophobicContact CD1-CE 3.89Å; F610-M617 HydrophobicContact CE1-CE 3.7Å; F610-V708 HydrophobicContact CE1-CG1 4.39Å; F610-V708 HydrophobicContact CE2-CG1 4.36Å; F610-V708 HydrophobicContact CZ-CG1 3.88Å; F610-H712 HydrophobicContact CD1-CB 4.05Å; F610-H712 AromaticContact CD1-CD2 3.39Å; F610-H712 WeakPolarHBondContact CD1-CD2 3.43Å; F610-H712 AromaticContact CD1-CG 3.81Å; F610-H712 AromaticContact CE1-CD2 3.66Å; F610-H712 AromaticContact CG-CD2 3.63Å; F610-H712 AromaticContact CG-NE2 3.89Å
611	I	93.7	Very high	93.4	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.046	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-43.3	-175.5	-72.7	161.2	0	0	0	112	A607 L608 N613 P614 M617 H712 M713 I716	A607-I611 HydrophobicContact CB-CD1 4.49Å; A607-I611 WeakPolarHBondContact O-CB 3.37Å; A607-I611 WeakPolarHBondContact O-CD1 3.42Å; A607-I611 VanDerWaalsContact O-CG1 3.24Å; A607-I611 WeakPolarHBondContact O-CG1 3.42Å; A607-I611 PolarHBondContact O-N 3.26Å; L608-I611 PolarHBondContact O-N 2.68Å; I611-N613 PolarHBondContact O-N 3.04Å; I611-P614 HydrophobicContact CG2-CB 4.15Å; I611-M617 HydrophobicContact CG1-CE 4.24Å; I611-M617 HydrophobicContact CG1-CG 4.25Å; I611-M617 HydrophobicContact CG2-CB 3.94Å; I611-M617 HydrophobicContact CG2-CG 4.39Å; I611-H712 HydrophobicContact CD1-CB 4.25Å; I611-H712 HydrophobicContact CG1-CB 4.32Å; I611-M713 HydrophobicContact CD1-CG 4.13Å; I611-M713 HydrophobicContact CD1-SD 3.43Å; I611-M713 WeakPolarHBondContact CD1-SD 3.39Å; I611-M713 HydrophobicContact CG1-CG 4.5Å; I611-M713 HydrophobicContact CG1-SD 3.87Å; I611-M713 HydrophobicContact CG2-SD 4.08Å; I611-I716 HydrophobicContact CD1-CD1 3.4Å; I611-I716 VanDerWaalsContact CD1-CD1 3.4Å; I611-I716 HydrophobicContact CD1-CG1 4.45Å
612	R	92.7	Very high	93.7	Very high	174 Å²	174	47.8 Å²	47.8	66%	0.657	21%	0.209	S	C	*	.	S	Bend	trans	58.9	-59.7	-177.9	-55.4	-175.7	178	-178.1	-1	115.4	E587 L588 L608 R609	E587-R612 WeakPolarHBondContact OE2-CB 3.42Å; L588-R612 VanDerWaalsContact CG-O 3.22Å; L588-R612 WeakPolarHBondContact CG-O 3.42Å; L588-R612 PolarHBondContact N-O 3.01Å; L608-R612 PolarHBondContact O-N 3.23Å; R609-R612 WeakPolarHBondContact O-CG 3.43Å
613	N	96	Very high	93.9	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-121.5	111.6	172.3	177.3	-40.1	0	0	0	109.4	D585 K586 I611 R615 R616 M617	D585-N613 PolarHBondContact OD1-ND2 3.27Å; K586-N613 PolarHBondContact N-ND2 3.08Å; I611-N613 PolarHBondContact O-N 3.04Å; N613-R615 PolarHBondContact O-N 2.65Å; N613-R615 PolarHBondContact OD1-N 2.93Å; N613-R615 VanDerWaalsContact OD1-N 3.1Å; N613-R616 HydrophobicContact CB-CB 4.09Å; N613-R616 HydrophobicContact CB-CG 4.2Å; N613-R616 WeakPolarHBondContact ND2-CD 3.46Å; N613-R616 PolarHBondContact ND2-NE 3.47Å; N613-R616 PolarHBondContact O-N 3.35Å; N613-R616 PolarHBondContact OD1-N 2.68Å; N613-M617 PolarHBondContact O-N 3.11Å
614	P	94.2	Very high	94.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-36	-172.6	27	-34.2	0	0	0	113.1	L582 L588 I611 M617 C618	L582-P614 HydrophobicContact CB-CB 4.22Å; L582-P614 HydrophobicContact CD2-CB 3.6Å; L582-P614 HydrophobicContact CD2-CG 4.4Å; L588-P614 HydrophobicContact CD2-CG 4.43Å; I611-P614 HydrophobicContact CG2-CB 4.15Å; P614-M617 PolarHBondContact O-N 3.01Å; P614-C618 PolarHBondContact O-N 3.18Å; P614-C618 PolarHBondContact O-SG 2.89Å
615	R	93.5	Very high	94.1	Very high	62 Å²	62	49.1 Å²	49.1	23%	0.234	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-43.3	178.6	-167.7	-170.6	-174.3	-165.3	7.8	111.7	Q583 D585 N613 M617 C618 C619 H672 F674	Q583-R615 WeakPolarHBondContact O-CD 3.23Å; D585-R615 HydrophobicContact CB-CB 4.24Å; D585-R615 VanDerWaalsContact CB-CD 3.43Å; D585-R615 HydrophobicContact CB-CG 4.47Å; D585-R615 IonicContact OD2-CZ 3.55Å; D585-R615 IonicContact OD2-NH1 2.71Å; D585-R615 PolarHBondContact OD2-NH1 3.01Å; N613-R615 PolarHBondContact O-N 2.65Å; N613-R615 PolarHBondContact OD1-N 2.93Å; N613-R615 VanDerWaalsContact OD1-N 3.1Å; R615-M617 VanDerWaalsContact C-N 3.3Å; R615-M617 PolarHBondContact O-N 2.76Å; R615-C618 WeakPolarHBondContact O-CB 3.04Å; R615-C618 PolarHBondContact O-N 2.94Å; R615-C618 VanDerWaalsContact O-N 3.12Å; R615-C619 PolarHBondContact O-N 2.86Å; R615-C619 PolarHBondContact O-SG 3.46Å; R615-C619 VanDerWaalsContact O-SG 3.4Å; R615-H672 PolarHBondContact NH2-O 2.82Å; R615-F674 HydrophobicContact CG-CD2 4.42Å; R615-F674 HydrophobicContact CG-CE2 4.14Å
616	R	94.6	Very high	94.2	Very high	153 Å²	153	51.5 Å²	51.5	58%	0.577	22%	0.223	S	C	*	.	H	α-helix	trans	-62.2	-38.7	175.1	-71.8	-179.6	-177.3	177.9	-7.1	111.6	D585 E587 N613 C618 C619 K620	D585-R616 IonicContact OD1-NE 3.55Å; E587-R616 IonicContact OE1-NH1 3.13Å; E587-R616 PolarHBondContact OE1-NH1 3.2Å; N613-R616 HydrophobicContact CB-CB 4.09Å; N613-R616 HydrophobicContact CB-CG 4.2Å; N613-R616 WeakPolarHBondContact ND2-CD 3.46Å; N613-R616 PolarHBondContact ND2-NE 3.47Å; N613-R616 PolarHBondContact O-N 3.35Å; N613-R616 PolarHBondContact OD1-N 2.68Å; R616-C618 VanDerWaalsContact C-N 3.34Å; R616-C619 WeakPolarHBondContact O-CB 3.43Å; R616-C619 PolarHBondContact O-N 3.29Å; R616-K620 PolarHBondContact O-N 3.09Å
617	M	95.9	Very high	94.1	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.069	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-41.1	172.6	-173	60.5	73.3	0	0	111.7	F610 I611 N613 P614 R615 C619 K620 I621 C709 M713	F610-M617 HydrophobicContact CD1-CE 3.89Å; F610-M617 HydrophobicContact CE1-CE 3.7Å; I611-M617 HydrophobicContact CG1-CE 4.24Å; I611-M617 HydrophobicContact CG1-CG 4.25Å; I611-M617 HydrophobicContact CG2-CB 3.94Å; I611-M617 HydrophobicContact CG2-CG 4.39Å; N613-M617 PolarHBondContact O-N 3.11Å; P614-M617 PolarHBondContact O-N 3.01Å; R615-M617 VanDerWaalsContact C-N 3.3Å; R615-M617 PolarHBondContact O-N 2.76Å; M617-C619 PolarHBondContact O-N 3.45Å; M617-K620 PolarHBondContact O-N 3.38Å; M617-K620 HydrophobicContact SD-CD 4.39Å; M617-I621 HydrophobicContact CG-CD1 4.04Å; M617-I621 WeakPolarHBondContact O-CG1 3.31Å; M617-I621 PolarHBondContact O-N 2.93Å; M617-C709 HydrophobicContact SD-CB 3.76Å; M617-M713 HydrophobicContact CB-SD 4.12Å; M617-M713 HydrophobicContact CG-CG 3.78Å; M617-M713 HydrophobicContact CG-SD 3.75Å
618	C	96	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-40.6	173.8	-67.1	0	0	0	0	112.5	P614 R615 R616 I621 Y622 F664 F674 M713	P614-C618 PolarHBondContact O-N 3.18Å; P614-C618 PolarHBondContact O-SG 2.89Å; R615-C618 WeakPolarHBondContact O-CB 3.04Å; R615-C618 PolarHBondContact O-N 2.94Å; R615-C618 VanDerWaalsContact O-N 3.12Å; R616-C618 VanDerWaalsContact C-N 3.34Å; C618-I621 PolarHBondContact O-N 3.39Å; C618-Y622 WeakPolarHBondContact O-CB 3.18Å; C618-Y622 PolarHBondContact O-N 3.3Å; C618-F664 HydrophobicContact CB-CZ 4.02Å; C618-F664 WeakPolarHBondContact O-CE1 3.36Å; C618-F674 HydrophobicContact CB-CB 4.3Å; C618-F674 HydrophobicContact CB-CD1 3.98Å; C618-F674 HydrophobicContact CB-CD2 3.56Å; C618-F674 HydrophobicContact CB-CE1 4.17Å; C618-F674 HydrophobicContact CB-CE2 3.77Å; C618-F674 HydrophobicContact CB-CG 3.67Å; C618-F674 HydrophobicContact CB-CZ 4.08Å; C618-M713 VanDerWaalsContact SG-CE 3.58Å
619	C	95.1	Very high	93.8	Very high	50 Å²	50	55.6 Å²	55.6	34%	0.338	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-49.3	172.3	-66.2	0	0	0	0	111.1	R615 R616 M617 I621 Y622 D623 F674	R615-C619 PolarHBondContact O-N 2.86Å; R615-C619 PolarHBondContact O-SG 3.46Å; R615-C619 VanDerWaalsContact O-SG 3.4Å; R616-C619 WeakPolarHBondContact O-CB 3.43Å; R616-C619 PolarHBondContact O-N 3.29Å; M617-C619 PolarHBondContact O-N 3.45Å; C619-I621 PolarHBondContact O-N 3.45Å; C619-Y622 WeakPolarHBondContact O-CB 3.26Å; C619-Y622 PolarHBondContact O-N 3.04Å; C619-Y622 VanDerWaalsContact O-N 3.17Å; C619-D623 PolarHBondContact O-N 3.36Å; C619-F674 HydrophobicContact CB-CZ 4.3Å; C619-F674 VanDerWaalsContact SG-CZ 3.54Å
620	K	95.1	Very high	93.6	Very high	84 Å²	84	51.1 Å²	51.1	37%	0.365	23%	0.226	S	C	.	.	H	α-helix	trans	-58.8	-47.5	179.2	-168.5	-175.4	178.2	-176.5	0	111.8	R616 M617 Y622 D623 M624 E705	R616-K620 PolarHBondContact O-N 3.09Å; M617-K620 PolarHBondContact O-N 3.38Å; M617-K620 HydrophobicContact SD-CD 4.39Å; K620-Y622 VanDerWaalsContact C-N 3.35Å; K620-Y622 PolarHBondContact O-N 3.34Å; K620-D623 PolarHBondContact O-N 2.94Å; K620-M624 HydrophobicContact CG-CE 4.1Å; K620-M624 WeakPolarHBondContact O-CG 3.33Å; K620-M624 PolarHBondContact O-N 3.2Å; K620-M624 VanDerWaalsContact O-N 3.1Å; K620-E705 WeakPolarHBondContact CE-OE1 3.26Å; K620-E705 IonicContact NZ-OE1 3.33Å; K620-E705 PolarHBondContact NZ-OE1 2.78Å
621	I	95.6	Very high	93.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-46.3	175.8	-70	168.9	0	0	0	110.3	M617 C618 C619 D623 M624 V625 F664 I682 L706 C709 M713	M617-I621 HydrophobicContact CG-CD1 4.04Å; M617-I621 WeakPolarHBondContact O-CG1 3.31Å; M617-I621 PolarHBondContact O-N 2.93Å; C618-I621 PolarHBondContact O-N 3.39Å; C619-I621 PolarHBondContact O-N 3.45Å; I621-D623 VanDerWaalsContact C-N 3.33Å; I621-D623 PolarHBondContact O-N 2.88Å; I621-M624 HydrophobicContact CG1-CE 4.32Å; I621-M624 PolarHBondContact O-N 3.5Å; I621-V625 HydrophobicContact CG2-CG2 3.97Å; I621-V625 WeakPolarHBondContact O-CB 3.42Å; I621-V625 WeakPolarHBondContact O-CG2 3.36Å; I621-V625 PolarHBondContact O-N 2.76Å; I621-F664 HydrophobicContact CB-CE1 4.22Å; I621-F664 HydrophobicContact CG2-CE1 3.84Å; I621-F664 HydrophobicContact CG2-CZ 4.28Å; I621-I682 HydrophobicContact CG2-CD1 4.16Å; I621-I682 HydrophobicContact CG2-CG2 4.27Å; I621-L706 HydrophobicContact CG2-CD1 4.04Å; I621-C709 HydrophobicContact CD1-CB 4.3Å; I621-C709 HydrophobicContact CG1-CB 3.89Å; I621-M713 HydrophobicContact CD1-CB 4.29Å; I621-M713 HydrophobicContact CD1-CG 3.59Å
622	Y	95.5	Very high	93.1	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.071	22%	0.217	C	C	.	.	H	α-helix	trans	-58.6	-44.6	179.4	177.1	-90.2	0	0	0	112.1	C618 C619 K620 M624 V625 K626 V661 F664 R665 F674	C618-Y622 WeakPolarHBondContact O-CB 3.18Å; C618-Y622 PolarHBondContact O-N 3.3Å; C619-Y622 WeakPolarHBondContact O-CB 3.26Å; C619-Y622 PolarHBondContact O-N 3.04Å; C619-Y622 VanDerWaalsContact O-N 3.17Å; K620-Y622 VanDerWaalsContact C-N 3.35Å; K620-Y622 PolarHBondContact O-N 3.34Å; Y622-M624 VanDerWaalsContact C-N 3.34Å; Y622-M624 PolarHBondContact O-N 2.8Å; Y622-V625 PolarHBondContact O-N 3.16Å; Y622-K626 HydrophobicContact CE1-CD 4.23Å; Y622-K626 WeakPolarHBondContact O-CB 3.47Å; Y622-K626 PolarHBondContact O-N 2.95Å; Y622-V661 HydrophobicContact CE2-CG1 4.2Å; Y622-V661 WeakPolarHBondContact CE2-O 3.13Å; Y622-F664 AromaticContact CD2-CD1 3.96Å; Y622-F664 HydrophobicContact CD2-CD1 3.96Å; Y622-F664 HydrophobicContact CG-CD1 4.5Å; Y622-R665 HydrophobicContact CD2-CB 3.54Å; Y622-R665 HydrophobicContact CD2-CG 4.45Å; Y622-R665 HydrophobicContact CE2-CB 3.44Å; Y622-R665 VanDerWaalsContact CE2-CB 3.44Å; Y622-R665 HydrophobicContact CE2-CG 4.36Å; Y622-R665 HydrophobicContact CG-CB 4.38Å; Y622-R665 VanDerWaalsContact CZ-NE 3.28Å; Y622-R665 PolarHBondContact OH-NH2 2.92Å; Y622-R665 VanDerWaalsContact OH-NH2 3.12Å; Y622-F674 HydrophobicContact CG-CE1 4.3Å
623	D	94.1	Very high	92.9	Very high	82 Å²	82	45.2 Å²	45.2	44%	0.439	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-40.3	179.3	-67.3	-25.3	0	0	0	111.3	C619 K620 I621 K626 K627	C619-D623 PolarHBondContact O-N 3.36Å; K620-D623 PolarHBondContact O-N 2.94Å; I621-D623 VanDerWaalsContact C-N 3.33Å; I621-D623 PolarHBondContact O-N 2.88Å; D623-K626 PolarHBondContact O-N 3.23Å; D623-K627 WeakPolarHBondContact O-CB 3.37Å; D623-K627 VanDerWaalsContact O-CG 3.27Å; D623-K627 WeakPolarHBondContact O-CG 3.23Å; D623-K627 PolarHBondContact O-N 3.05Å
624	M	93.7	Very high	92.4	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-43.1	174.7	-69.2	-174.2	-64.4	0	0	112.8	K620 I621 Y622 K626 K627 M628 E705 L706 C709	K620-M624 HydrophobicContact CG-CE 4.1Å; K620-M624 WeakPolarHBondContact O-CG 3.33Å; K620-M624 PolarHBondContact O-N 3.2Å; K620-M624 VanDerWaalsContact O-N 3.1Å; I621-M624 HydrophobicContact CG1-CE 4.32Å; I621-M624 PolarHBondContact O-N 3.5Å; Y622-M624 VanDerWaalsContact C-N 3.34Å; Y622-M624 PolarHBondContact O-N 2.8Å; M624-K626 VanDerWaalsContact C-N 3.29Å; M624-K626 PolarHBondContact O-N 3.2Å; M624-K627 PolarHBondContact O-N 2.82Å; M624-M628 WeakPolarHBondContact O-CB 3.35Å; M624-M628 PolarHBondContact O-N 3.41Å; M624-E705 HydrophobicContact SD-CB 4.16Å; M624-E705 HydrophobicContact SD-CG 3.89Å; M624-L706 HydrophobicContact CB-CB 4.21Å; M624-L706 HydrophobicContact CB-CD1 3.99Å; M624-L706 HydrophobicContact CB-CG 4.47Å; M624-L706 HydrophobicContact CE-CB 4.26Å; M624-L706 HydrophobicContact CE-CD1 4.08Å; M624-L706 HydrophobicContact SD-CB 4.15Å; M624-C709 HydrophobicContact CE-CB 3.89Å
625	V	93.9	Very high	91.8	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-41.1	175.2	172.7	0	0	0	0	110.3	I621 Y622 M628 F629 W657 L660 V661 I682 L706	I621-V625 HydrophobicContact CG2-CG2 3.97Å; I621-V625 WeakPolarHBondContact O-CB 3.42Å; I621-V625 WeakPolarHBondContact O-CG2 3.36Å; I621-V625 PolarHBondContact O-N 2.76Å; Y622-V625 PolarHBondContact O-N 3.16Å; V625-M628 PolarHBondContact O-N 2.92Å; V625-F629 WeakPolarHBondContact O-CB 3.32Å; V625-F629 PolarHBondContact O-N 3.07Å; V625-W657 HydrophobicContact CB-CZ3 4.48Å; V625-W657 HydrophobicContact CG1-CE3 3.97Å; V625-W657 HydrophobicContact CG1-CZ3 4.13Å; V625-W657 HydrophobicContact CG2-CZ3 4.2Å; V625-L660 HydrophobicContact CG1-CB 4.02Å; V625-V661 HydrophobicContact CG1-CG2 3.81Å; V625-I682 HydrophobicContact CG2-CD1 4.4Å; V625-I682 HydrophobicContact CG2-CG2 3.99Å; V625-L706 HydrophobicContact CG2-CD1 3.9Å; V625-L706 HydrophobicContact CG2-CD2 4.33Å
626	K	93.4	Very high	91.2	Very high	93 Å²	93	52.4 Å²	52.4	40%	0.404	24%	0.239	S	C	.	.	H	α-helix	trans	-66.4	-46.9	176.6	-173.2	-177.8	175.1	-168.1	0	111.8	Y622 D623 M624 M628 F629 D630 V661	Y622-K626 HydrophobicContact CE1-CD 4.23Å; Y622-K626 WeakPolarHBondContact O-CB 3.47Å; Y622-K626 PolarHBondContact O-N 2.95Å; D623-K626 PolarHBondContact O-N 3.23Å; M624-K626 VanDerWaalsContact C-N 3.29Å; M624-K626 PolarHBondContact O-N 3.2Å; K626-M628 VanDerWaalsContact C-N 3.3Å; K626-M628 PolarHBondContact O-N 3.28Å; K626-F629 WeakPolarHBondContact O-CB 3.35Å; K626-F629 PolarHBondContact O-N 3.2Å; K626-D630 PolarHBondContact O-N 3.43Å; K626-V661 HydrophobicContact CB-CG2 4.38Å; K626-V661 HydrophobicContact CG-CG1 4.44Å
627	K	90.1	Very high	90.5	Very high	116 Å²	116	50.4 Å²	50.4	50%	0.504	24%	0.24	S	C	.	.	H	α-helix	trans	-55.9	-46.1	174	-76	175.1	179.7	-174	0	111.4	D623 M624 F629 D630 I631	D623-K627 WeakPolarHBondContact O-CB 3.37Å; D623-K627 VanDerWaalsContact O-CG 3.27Å; D623-K627 WeakPolarHBondContact O-CG 3.23Å; D623-K627 PolarHBondContact O-N 3.05Å; M624-K627 PolarHBondContact O-N 2.82Å; K627-F629 PolarHBondContact O-N 3.21Å; K627-D630 PolarHBondContact O-N 3.31Å; K627-I631 VanDerWaalsContact O-CG1 3.3Å; K627-I631 WeakPolarHBondContact O-CG1 3.47Å; K627-I631 PolarHBondContact O-N 3.38Å
628	M	88.6	Confident	89.6	Confident	4 Å²	4	58 Å²	58	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-45.9	177.4	-178.9	174.1	-73.1	0	0	111.6	M624 V625 K626 D630 I631 I632 W657 I686 I700 M703 L706	M624-M628 WeakPolarHBondContact O-CB 3.35Å; M624-M628 PolarHBondContact O-N 3.41Å; V625-M628 PolarHBondContact O-N 2.92Å; K626-M628 VanDerWaalsContact C-N 3.3Å; K626-M628 PolarHBondContact O-N 3.28Å; M628-D630 PolarHBondContact O-N 3.37Å; M628-I631 PolarHBondContact O-N 3.11Å; M628-I632 HydrophobicContact CG-CD1 3.7Å; M628-I632 HydrophobicContact CG-CG1 4.42Å; M628-I632 WeakPolarHBondContact O-CB 3.32Å; M628-I632 WeakPolarHBondContact O-CD1 3.3Å; M628-I632 VanDerWaalsContact O-CG1 3.24Å; M628-I632 WeakPolarHBondContact O-CG1 3.4Å; M628-I632 PolarHBondContact O-N 2.73Å; M628-I632 HydrophobicContact SD-CD1 4.47Å; M628-W657 HydrophobicContact CB-CE3 4.44Å; M628-W657 HydrophobicContact CE-CH2 4.26Å; M628-W657 HydrophobicContact CE-CZ2 4.35Å; M628-W657 HydrophobicContact CG-CD2 4.1Å; M628-W657 HydrophobicContact CG-CE3 4.19Å; M628-W657 HydrophobicContact CG-CZ3 4.48Å; M628-W657 HydrophobicContact SD-CD2 3.55Å; M628-W657 VanDerWaalsContact SD-CD2 3.55Å; M628-W657 HydrophobicContact SD-CE3 3.63Å; M628-W657 HydrophobicContact SD-CG 4.46Å; M628-W657 HydrophobicContact SD-CH2 3.24Å; M628-W657 WeakPolarHBondContact SD-CH2 3.39Å; M628-W657 HydrophobicContact SD-CZ2 3.12Å; M628-W657 WeakPolarHBondContact SD-CZ2 3.39Å; M628-W657 HydrophobicContact SD-CZ3 3.48Å; M628-W657 WeakPolarHBondContact SD-CZ3 3.37Å; M628-I686 HydrophobicContact CE-CD1 3.49Å; M628-I686 VanDerWaalsContact CE-CD1 3.49Å; M628-I686 HydrophobicContact SD-CD1 4.34Å; M628-I700 HydrophobicContact CE-CG2 4.45Å; M628-I700 HydrophobicContact CG-CD1 4.34Å; M628-M703 HydrophobicContact CE-CE 3.84Å; M628-M703 HydrophobicContact CE-CG 3.94Å; M628-L706 HydrophobicContact CE-CD2 3.79Å; M628-L706 HydrophobicContact SD-CD2 4.26Å
629	F	91.5	Very high	88.3	Confident	37 Å²	37	60.1 Å²	60.1	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-45.6	175	170.6	-108.9	0	0	0	112.6	V625 K626 K627 I631 I632 K633 E654 W657 V661	V625-F629 WeakPolarHBondContact O-CB 3.32Å; V625-F629 PolarHBondContact O-N 3.07Å; K626-F629 WeakPolarHBondContact O-CB 3.35Å; K626-F629 PolarHBondContact O-N 3.2Å; K627-F629 PolarHBondContact O-N 3.21Å; F629-I631 VanDerWaalsContact C-N 3.34Å; F629-I631 PolarHBondContact O-N 3.03Å; F629-I632 PolarHBondContact O-N 3.18Å; F629-K633 WeakPolarHBondContact O-CB 3.18Å; F629-K633 PolarHBondContact O-N 3.07Å; F629-E654 HydrophobicContact CD2-CG 4.27Å; F629-E654 HydrophobicContact CE2-CG 3.56Å; F629-E654 WeakPolarHBondContact CE2-O 3.5Å; F629-E654 HydrophobicContact CZ-CG 4.38Å; F629-W657 HydrophobicContact CB-CB 4.25Å; F629-W657 HydrophobicContact CD2-CB 4.26Å; F629-V661 HydrophobicContact CB-CG2 3.76Å; F629-V661 HydrophobicContact CD1-CG2 4.31Å; F629-V661 HydrophobicContact CG-CG2 4.11Å
630	D	90.3	Very high	86.7	Confident	65 Å²	65	66.3 Å²	66.3	35%	0.348	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-40.3	179.4	-69.4	-31.3	0	0	0	111.4	K626 K627 M628 K633 I634	K626-D630 PolarHBondContact O-N 3.43Å; K627-D630 PolarHBondContact O-N 3.31Å; M628-D630 PolarHBondContact O-N 3.37Å; D630-K633 WeakPolarHBondContact O-CB 3.39Å; D630-K633 PolarHBondContact O-N 3.5Å; D630-I634 VanDerWaalsContact O-CG1 3.31Å; D630-I634 WeakPolarHBondContact O-CG1 3.36Å; D630-I634 PolarHBondContact O-N 3.42Å
631	I	87	Confident	85	Confident	51 Å²	51	68.2 Å²	68.2	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-67	-44.1	176.2	-63.1	161.7	0	0	0	111.4	K627 M628 F629 K633 I634 R635 I700	K627-I631 VanDerWaalsContact O-CG1 3.3Å; K627-I631 WeakPolarHBondContact O-CG1 3.47Å; K627-I631 PolarHBondContact O-N 3.38Å; M628-I631 PolarHBondContact O-N 3.11Å; F629-I631 VanDerWaalsContact C-N 3.34Å; F629-I631 PolarHBondContact O-N 3.03Å; I631-K633 VanDerWaalsContact C-N 3.26Å; I631-K633 PolarHBondContact O-N 2.91Å; I631-I634 PolarHBondContact O-N 2.99Å; I631-R635 HydrophobicContact CG2-CG 4.42Å; I631-R635 WeakPolarHBondContact O-CG 3.46Å; I631-R635 PolarHBondContact O-N 3.07Å; I631-I700 HydrophobicContact CB-CD1 4.41Å; I631-I700 HydrophobicContact CB-CG1 4.37Å; I631-I700 HydrophobicContact CD1-CB 4.43Å; I631-I700 HydrophobicContact CD1-CG1 4.29Å; I631-I700 HydrophobicContact CD1-CG2 3.79Å; I631-I700 HydrophobicContact CG2-CD1 4.03Å; I631-I700 HydrophobicContact CG2-CG1 3.72Å
632	I	88.3	Confident	83.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-43.3	175.8	-71.2	161.8	0	0	0	110.3	M628 F629 I634 R635 R636 W650 I653 E654 W657	M628-I632 HydrophobicContact CG-CD1 3.7Å; M628-I632 HydrophobicContact CG-CG1 4.42Å; M628-I632 WeakPolarHBondContact O-CB 3.32Å; M628-I632 WeakPolarHBondContact O-CD1 3.3Å; M628-I632 VanDerWaalsContact O-CG1 3.24Å; M628-I632 WeakPolarHBondContact O-CG1 3.4Å; M628-I632 PolarHBondContact O-N 2.73Å; M628-I632 HydrophobicContact SD-CD1 4.47Å; F629-I632 PolarHBondContact O-N 3.18Å; I632-I634 PolarHBondContact O-N 2.75Å; I632-R635 PolarHBondContact O-N 3.39Å; I632-R636 WeakPolarHBondContact O-CB 3.48Å; I632-R636 PolarHBondContact O-N 3.01Å; I632-W650 HydrophobicContact CG2-CE3 4.36Å; I632-W650 HydrophobicContact CG2-CZ3 4.46Å; I632-I653 HydrophobicContact CD1-CD1 4.35Å; I632-I653 HydrophobicContact CD1-CG1 4.09Å; I632-I653 HydrophobicContact CG2-CG1 4.44Å; I632-I653 HydrophobicContact CG2-CG2 3.9Å; I632-E654 HydrophobicContact CG2-CB 4.03Å; I632-W657 HydrophobicContact CD1-CB 4.01Å; I632-W657 HydrophobicContact CD1-CD2 4.3Å; I632-W657 HydrophobicContact CD1-CG 3.57Å
633	K	88.1	Confident	82.6	Confident	97 Å²	97	76.2 Å²	76.2	42%	0.422	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-42.5	177.6	-172.5	-178.7	-179.8	-174.5	0	112.1	F629 D630 I631 N637	F629-K633 WeakPolarHBondContact O-CB 3.18Å; F629-K633 PolarHBondContact O-N 3.07Å; D630-K633 WeakPolarHBondContact O-CB 3.39Å; D630-K633 PolarHBondContact O-N 3.5Å; I631-K633 VanDerWaalsContact C-N 3.26Å; I631-K633 PolarHBondContact O-N 2.91Å; K633-N637 PolarHBondContact O-N 3.03Å; K633-N637 PolarHBondContact O-ND2 2.9Å
634	I	85.4	Confident	82.1	Confident	95 Å²	95	72.6 Å²	72.6	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-44.9	174.9	-68.2	163.7	0	0	0	110.6	D630 I631 I632 N637 K638	D630-I634 VanDerWaalsContact O-CG1 3.31Å; D630-I634 WeakPolarHBondContact O-CG1 3.36Å; D630-I634 PolarHBondContact O-N 3.42Å; I631-I634 PolarHBondContact O-N 2.99Å; I632-I634 PolarHBondContact O-N 2.75Å; I634-N637 PolarHBondContact O-N 3.23Å; I634-K638 PolarHBondContact O-N 3.19Å
635	R	81.6	Confident	81.7	Confident	54 Å²	54	74.7 Å²	74.7	20%	0.204	37%	0.367	C	S	.	.	H	α-helix	trans	-67.6	-40.9	-178.6	-73.7	-168.9	-174.7	-169	6.8	113.1	I631 I632 N637 K638 S639 W650 I696 A699	I631-R635 HydrophobicContact CG2-CG 4.42Å; I631-R635 WeakPolarHBondContact O-CG 3.46Å; I631-R635 PolarHBondContact O-N 3.07Å; I632-R635 PolarHBondContact O-N 3.39Å; R635-N637 PolarHBondContact O-N 3.06Å; R635-K638 CarbonylContact O-C 3.57Å; R635-K638 WeakPolarHBondContact O-CA 3.47Å; R635-K638 PolarHBondContact O-N 2.76Å; R635-S639 PolarHBondContact O-N 3.24Å; R635-W650 HydrophobicContact CB-CH2 3.99Å; R635-W650 HydrophobicContact CB-CZ3 3.9Å; R635-I696 PolarHBondContact NH1-O 3.42Å; R635-A699 PolarHBondContact NH2-O 3.01Å
636	R	81.8	Confident	81	Confident	69 Å²	69	77.3 Å²	77.3	26%	0.26	38%	0.38	S	S	.	.	H	α-helix	trans	-52.8	-39.5	173.3	176.2	-173.6	177.5	-157.2	-3.5	112.1	I632 K638 W650 D651 E654	I632-R636 WeakPolarHBondContact O-CB 3.48Å; I632-R636 PolarHBondContact O-N 3.01Å; R636-K638 VanDerWaalsContact C-N 3.28Å; R636-K638 PolarHBondContact O-N 3.32Å; R636-W650 HydrophobicContact CB-CB 4.06Å; R636-W650 HydrophobicContact CG-CB 3.83Å; R636-D651 IonicContact CZ-OD1 3.34Å; R636-D651 IonicContact CZ-OD2 3.42Å; R636-D651 IonicContact NE-OD1 3.97Å; R636-D651 IonicContact NE-OD2 3.38Å; R636-D651 PolarHBondContact NE-OD2 2.65Å; R636-D651 IonicContact NH1-OD1 2.92Å; R636-D651 IonicContact NH2-OD1 2.73Å; R636-D651 PolarHBondContact NH2-OD1 2.87Å; R636-D651 IonicContact NH2-OD2 2.85Å; R636-D651 PolarHBondContact NH2-OD2 2.96Å; R636-E654 WeakPolarHBondContact CD-OE2 3.48Å; R636-E654 IonicContact CZ-OE2 3.51Å; R636-E654 IonicContact NE-OE2 3.65Å; R636-E654 IonicContact NH1-OE1 3.87Å; R636-E654 IonicContact NH1-OE2 3.47Å; R636-E654 PolarHBondContact NH1-OE2 3.07Å
637	N	80.3	Confident	80.3	Confident	112 Å²	112	74.1 Å²	74.1	60%	0.599	37%	0.374	S	S	*	.	H	α-helix	trans	-70.4	-25.9	179.4	-69.9	-23.7	0	0	0	112.8	K633 I634 R635	K633-N637 PolarHBondContact O-N 3.03Å; K633-N637 PolarHBondContact O-ND2 2.9Å; I634-N637 PolarHBondContact O-N 3.23Å; R635-N637 PolarHBondContact O-N 3.06Å
638	K	77.1	Confident	80	Confident	172 Å²	172	69.8 Å²	69.8	75%	0.748	36%	0.355	S	S	*	.	H	α-helix	trans	-89.1	-42.7	178.4	-66.2	-176.2	178.6	-174.8	0	113	I634 R635 R636	I634-K638 PolarHBondContact O-N 3.19Å; R635-K638 CarbonylContact O-C 3.57Å; R635-K638 WeakPolarHBondContact O-CA 3.47Å; R635-K638 PolarHBondContact O-N 2.76Å; R636-K638 VanDerWaalsContact C-N 3.28Å; R636-K638 PolarHBondContact O-N 3.32Å
639	S	67.6	Low	79.8	Confident	45 Å²	45	71.8 Å²	71.8	32%	0.315	37%	0.367	S	S	.	.			trans	-113.9	93.5	-175.4	-65.6	0	0	0	0	110.4	R635 W650	R635-S639 PolarHBondContact O-N 3.24Å; S639-W650 VanDerWaalsContact O-CD1 3.24Å; S639-W650 PolarHBondContact O-NE1 3.1Å
640	K	62.6	Low	79.5	Confident	180 Å²	180	70.5 Å²	70.5	78%	0.783	36%	0.362	S	S	*	.			trans	-90	-21.1	177.7	-76.8	-175.6	179.5	174.8	0	114.6
641	C	57.8	Low	79.2	Confident	125 Å²	125	69.5 Å²	69.5	85%	0.845	36%	0.356	S	S	*	.	S	Bend	trans	-97.4	-10.7	-170.2	-76.2	0	0	0	0	115.5
642	D	67.4	Low	79.2	Confident	93 Å²	93	67.3 Å²	67.3	50%	0.497	35%	0.345	S	S	.	.			trans	-86.3	137.6	-177.9	-56.3	-38.2	0	0	0	111.2	W650	D642-W650 PolarHBondContact O-NE1 3.4Å
643	T	74.1	Confident	79.2	Confident	94 Å²	94	67.3 Å²	67.3	58%	0.577	35%	0.345	S	S	*	.			trans	-102	140.8	170.1	56.3	0	0	0	0	109.8
644	L	83.7	Confident	79.3	Confident	7 Å²	7	64 Å²	64	4%	0.037	33%	0.331	C	S	.	.			trans	-82.1	-179.4	175.8	-65.1	145.3	0	0	0	110	M646 G647 E648 I653 N693 I696	L644-M646 PolarHBondContact O-N 2.83Å; L644-G647 WeakPolarHBondContact O-CA 3.36Å; L644-G647 PolarHBondContact O-N 3Å; L644-E648 HydrophobicContact CB-CB 4.06Å; L644-E648 VanDerWaalsContact CB-O 3.28Å; L644-E648 WeakPolarHBondContact CB-O 3.31Å; L644-E648 HydrophobicContact CD1-CG 4.36Å; L644-E648 PolarHBondContact N-O 2.77Å; L644-I653 HydrophobicContact CD1-CB 3.89Å; L644-I653 HydrophobicContact CD1-CD1 4.04Å; L644-I653 HydrophobicContact CD1-CG2 3.56Å; L644-I653 HydrophobicContact CD2-CD1 4.43Å; L644-N693 HydrophobicContact CD2-CB 4.24Å; L644-I696 HydrophobicContact CD2-CB 4.24Å; L644-I696 HydrophobicContact CD2-CD1 3.78Å; L644-I696 HydrophobicContact CD2-CG2 3.94Å; L644-I696 HydrophobicContact CG-CD1 4.45Å
645	Y	86	Confident	79.4	Confident	59 Å²	59	62.1 Å²	62.1	23%	0.231	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-50.2	138.2	-180	-171.2	-103.6	0	0	0	112.7	T471 N472 G647 E648 Y688 H692 N693	T471-Y645 HydrophobicContact CG2-CE1 3.99Å; N472-Y645 PolarHBondContact N-OH 2.88Å; Y645-G647 PolarHBondContact O-N 3.22Å; Y645-G647 VanDerWaalsContact O-N 3.14Å; Y645-E648 PolarHBondContact O-N 3.46Å; Y645-Y688 HydrophobicContact CD1-CE2 4.25Å; Y645-H692 HydrophobicContact CD1-CB 3.76Å; Y645-H692 AromaticContact CD1-CG 3.8Å; Y645-H692 AromaticContact CD1-ND1 3.89Å; Y645-H692 HydrophobicContact CD2-CB 4.1Å; Y645-H692 HydrophobicContact CE1-CB 4.33Å; Y645-H692 AromaticContact CE1-CG 3.89Å; Y645-H692 AromaticContact CE1-ND1 3.53Å; Y645-H692 AromaticContact CE2-ND1 3.83Å; Y645-H692 HydrophobicContact CG-CB 3.63Å; Y645-H692 AromaticContact CZ-ND1 3.49Å; Y645-N693 WeakPolarHBondContact CB-OD1 3.32Å; Y645-N693 PolarHBondContact N-OD1 3.21Å; Y645-N693 VanDerWaalsContact N-OD1 3.16Å
646	M	78.7	Confident	80	Confident	55 Å²	55	59.8 Å²	59.8	27%	0.271	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	54.9	23.7	-174.6	-68.4	179.3	75.3	0	0	115.1	T344 H422 T471 L644	T344-M646 HydrophobicContact CG2-SD 3.83Å; H422-M646 PolarHBondContact NE2-O 3.18Å; T471-M646 HydrophobicContact CG2-SD 3.97Å; L644-M646 PolarHBondContact O-N 2.83Å
647	G	78.2	Confident	80.5	Confident	27 Å²	27	56.5 Å²	56.5	28%	0.278	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	77.8	18.9	178.1	0	0	0	0	0	113.8	L644 Y645 T649	L644-G647 WeakPolarHBondContact O-CA 3.36Å; L644-G647 PolarHBondContact O-N 3Å; Y645-G647 PolarHBondContact O-N 3.22Å; Y645-G647 VanDerWaalsContact O-N 3.14Å; G647-T649 PolarHBondContact O-N 3.43Å
648	E	84	Confident	81.1	Confident	25 Å²	25	51.9 Å²	51.9	12%	0.117	28%	0.276	C	S	.	.			trans	-61.3	131.4	170.6	-177.7	174.2	-127.9	0	0	109.2	L644 Y645 L652 R656	L644-E648 HydrophobicContact CB-CB 4.06Å; L644-E648 VanDerWaalsContact CB-O 3.28Å; L644-E648 WeakPolarHBondContact CB-O 3.31Å; L644-E648 HydrophobicContact CD1-CG 4.36Å; L644-E648 PolarHBondContact N-O 2.77Å; Y645-E648 PolarHBondContact O-N 3.46Å; E648-L652 HydrophobicContact CG-CB 3.91Å; E648-R656 IonicContact OE1-NE 2.66Å; E648-R656 PolarHBondContact OE1-NE 2.96Å; E648-R656 IonicContact OE1-NH2 2.72Å; E648-R656 IonicContact OE2-CZ 3.58Å; E648-R656 IonicContact OE2-NE 3.36Å; E648-R656 IonicContact OE2-NH2 2.97Å; E648-R656 PolarHBondContact OE2-NH2 3.38Å
649	T	83.7	Confident	81.8	Confident	45 Å²	45	46 Å²	46	28%	0.276	25%	0.25	S	S	.	.			trans	-90.4	157.1	-179.8	62.3	0	0	0	0	110.9	G647 D651 L652 I653	G647-T649 PolarHBondContact O-N 3.43Å; T649-D651 PolarHBondContact O-N 3.35Å; T649-D651 VanDerWaalsContact O-N 3.13Å; T649-L652 PolarHBondContact O-N 3.48Å; T649-L652 WeakPolarHBondContact OG1-CG 3.46Å; T649-I653 PolarHBondContact O-N 3.4Å
650	W	85.4	Confident	83	Confident	11 Å²	11	44.2 Å²	44.2	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-53.7	-32.4	172.4	-75.6	102.8	0	0	0	113.2	I632 R635 R636 S639 D642 L652 I653 E654 I696	I632-W650 HydrophobicContact CG2-CE3 4.36Å; I632-W650 HydrophobicContact CG2-CZ3 4.46Å; R635-W650 HydrophobicContact CB-CH2 3.99Å; R635-W650 HydrophobicContact CB-CZ3 3.9Å; R636-W650 HydrophobicContact CB-CB 4.06Å; R636-W650 HydrophobicContact CG-CB 3.83Å; S639-W650 VanDerWaalsContact O-CD1 3.24Å; S639-W650 PolarHBondContact O-NE1 3.1Å; D642-W650 PolarHBondContact O-NE1 3.4Å; W650-L652 VanDerWaalsContact C-N 3.31Å; W650-L652 PolarHBondContact O-N 2.87Å; W650-I653 HydrophobicContact CE3-CG2 3.95Å; W650-I653 VanDerWaalsContact O-CG2 3.23Å; W650-I653 WeakPolarHBondContact O-CG2 3.34Å; W650-E654 WeakPolarHBondContact O-CB 3.39Å; W650-E654 PolarHBondContact O-N 3.4Å; W650-E654 VanDerWaalsContact O-N 3.09Å; W650-I696 HydrophobicContact CH2-CG2 3.5Å; W650-I696 VanDerWaalsContact CH2-CG2 3.5Å; W650-I696 HydrophobicContact CZ2-CG2 3.45Å; W650-I696 VanDerWaalsContact CZ2-CG2 3.45Å
651	D	84.1	Confident	84.5	Confident	44 Å²	44	36.5 Å²	36.5	24%	0.235	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-36.4	173	-101.2	-86.2	0	0	0	113.5	R636 T649 R655	R636-D651 IonicContact CZ-OD1 3.34Å; R636-D651 IonicContact CZ-OD2 3.42Å; R636-D651 IonicContact NE-OD1 3.97Å; R636-D651 IonicContact NE-OD2 3.38Å; R636-D651 PolarHBondContact NE-OD2 2.65Å; R636-D651 IonicContact NH1-OD1 2.92Å; R636-D651 IonicContact NH2-OD1 2.73Å; R636-D651 PolarHBondContact NH2-OD1 2.87Å; R636-D651 IonicContact NH2-OD2 2.85Å; R636-D651 PolarHBondContact NH2-OD2 2.96Å; T649-D651 PolarHBondContact O-N 3.35Å; T649-D651 VanDerWaalsContact O-N 3.13Å; D651-R655 WeakPolarHBondContact O-CB 3.29Å; D651-R655 VanDerWaalsContact O-CD 3.26Å; D651-R655 WeakPolarHBondContact O-CD 3.35Å; D651-R655 WeakPolarHBondContact O-CG 3.41Å; D651-R655 PolarHBondContact O-N 3.09Å; D651-R655 PolarHBondContact O-NE 2.95Å; D651-R655 IonicContact OD1-CZ 3.47Å; D651-R655 IonicContact OD1-NE 2.76Å; D651-R655 IonicContact OD1-NH2 2.73Å; D651-R655 PolarHBondContact OD1-NH2 3.36Å; D651-R655 VanDerWaalsContact OD1-NH2 3.13Å
652	L	86.4	Confident	86.1	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-84.1	-40.7	-175.8	-70	171.9	0	0	0	112	T417 V418 M421 E648 T649 W650 R655 R656	T417-L652 HydrophobicContact CG2-CD1 4.21Å; T417-L652 HydrophobicContact CG2-CD2 4.17Å; T417-L652 HydrophobicContact CG2-CG 4.11Å; V418-L652 HydrophobicContact CG2-CD2 3.96Å; M421-L652 HydrophobicContact CE-CD1 3.05Å; M421-L652 HydrophobicContact CE-CG 4.49Å; E648-L652 HydrophobicContact CG-CB 3.91Å; T649-L652 PolarHBondContact O-N 3.48Å; T649-L652 WeakPolarHBondContact OG1-CG 3.46Å; W650-L652 VanDerWaalsContact C-N 3.31Å; W650-L652 PolarHBondContact O-N 2.87Å; L652-R655 PolarHBondContact O-N 2.95Å; L652-R656 VanDerWaalsContact O-CB 3.32Å; L652-R656 WeakPolarHBondContact O-CB 3.48Å; L652-R656 PolarHBondContact O-N 2.9Å
653	I	89.3	Confident	87.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-41.9	173.9	-172.6	167.2	0	0	0	111.1	I632 L644 T649 W650 R655 R656 W657 L697	I632-I653 HydrophobicContact CD1-CD1 4.35Å; I632-I653 HydrophobicContact CD1-CG1 4.09Å; I632-I653 HydrophobicContact CG2-CG1 4.44Å; I632-I653 HydrophobicContact CG2-CG2 3.9Å; L644-I653 HydrophobicContact CD1-CB 3.89Å; L644-I653 HydrophobicContact CD1-CD1 4.04Å; L644-I653 HydrophobicContact CD1-CG2 3.56Å; L644-I653 HydrophobicContact CD2-CD1 4.43Å; T649-I653 PolarHBondContact O-N 3.4Å; W650-I653 HydrophobicContact CE3-CG2 3.95Å; W650-I653 VanDerWaalsContact O-CG2 3.23Å; W650-I653 WeakPolarHBondContact O-CG2 3.34Å; I653-R655 VanDerWaalsContact C-N 3.32Å; I653-R655 PolarHBondContact O-N 3.42Å; I653-R656 PolarHBondContact O-N 3.46Å; I653-W657 PolarHBondContact O-N 3.24Å; I653-L697 HydrophobicContact CD1-CD1 4.19Å; I653-L697 HydrophobicContact CD1-CD2 4.35Å
654	E	89.6	Confident	88.3	Confident	28 Å²	28	31.8 Å²	31.8	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-45.7	174.6	179.3	-174.2	155.1	0	0	110.3	F629 I632 R636 W650 R656 G658	F629-E654 HydrophobicContact CD2-CG 4.27Å; F629-E654 HydrophobicContact CE2-CG 3.56Å; F629-E654 WeakPolarHBondContact CE2-O 3.5Å; F629-E654 HydrophobicContact CZ-CG 4.38Å; I632-E654 HydrophobicContact CG2-CB 4.03Å; R636-E654 WeakPolarHBondContact CD-OE2 3.48Å; R636-E654 IonicContact CZ-OE2 3.51Å; R636-E654 IonicContact NE-OE2 3.65Å; R636-E654 IonicContact NH1-OE1 3.87Å; R636-E654 IonicContact NH1-OE2 3.47Å; R636-E654 PolarHBondContact NH1-OE2 3.07Å; W650-E654 WeakPolarHBondContact O-CB 3.39Å; W650-E654 PolarHBondContact O-N 3.4Å; W650-E654 VanDerWaalsContact O-N 3.09Å; E654-R656 VanDerWaalsContact C-N 3.35Å; E654-R656 PolarHBondContact O-N 3.21Å; E654-G658 WeakPolarHBondContact O-CA 3.4Å; E654-G658 PolarHBondContact O-N 2.8Å
655	R	88.9	Confident	88.7	Confident	56 Å²	56	34.7 Å²	34.7	21%	0.211	17%	0.171	C	C	.	.	H	α-helix	trans	-68.1	-34.7	179.5	-70.9	171.2	-156.9	-133.2	12.1	112.3	S410 D651 L652 I653 K659	S410-R655 PolarHBondContact O-NH1 2.8Å; D651-R655 WeakPolarHBondContact O-CB 3.29Å; D651-R655 VanDerWaalsContact O-CD 3.26Å; D651-R655 WeakPolarHBondContact O-CD 3.35Å; D651-R655 WeakPolarHBondContact O-CG 3.41Å; D651-R655 PolarHBondContact O-N 3.09Å; D651-R655 PolarHBondContact O-NE 2.95Å; D651-R655 IonicContact OD1-CZ 3.47Å; D651-R655 IonicContact OD1-NE 2.76Å; D651-R655 IonicContact OD1-NH2 2.73Å; D651-R655 PolarHBondContact OD1-NH2 3.36Å; D651-R655 VanDerWaalsContact OD1-NH2 3.13Å; L652-R655 PolarHBondContact O-N 2.95Å; I653-R655 VanDerWaalsContact C-N 3.32Å; I653-R655 PolarHBondContact O-N 3.42Å; R655-K659 WeakPolarHBondContact O-CB 3.49Å; R655-K659 PolarHBondContact O-N 2.86Å
656	R	92.5	Very high	88.8	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-54.5	176.3	173.3	159.4	63	80.8	-5.1	110.2	E648 L652 I653 E654 K659 L660 D689	E648-R656 IonicContact OE1-NE 2.66Å; E648-R656 PolarHBondContact OE1-NE 2.96Å; E648-R656 IonicContact OE1-NH2 2.72Å; E648-R656 IonicContact OE2-CZ 3.58Å; E648-R656 IonicContact OE2-NE 3.36Å; E648-R656 IonicContact OE2-NH2 2.97Å; E648-R656 PolarHBondContact OE2-NH2 3.38Å; L652-R656 VanDerWaalsContact O-CB 3.32Å; L652-R656 WeakPolarHBondContact O-CB 3.48Å; L652-R656 PolarHBondContact O-N 2.9Å; I653-R656 PolarHBondContact O-N 3.46Å; E654-R656 VanDerWaalsContact C-N 3.35Å; E654-R656 PolarHBondContact O-N 3.21Å; R656-K659 PolarHBondContact O-N 3.43Å; R656-L660 PolarHBondContact O-N 3.4Å; R656-D689 IonicContact CZ-OD1 3.3Å; R656-D689 IonicContact CZ-OD2 3.44Å; R656-D689 IonicContact NH1-OD1 3.48Å; R656-D689 IonicContact NH1-OD2 3.27Å; R656-D689 PolarHBondContact NH1-OD2 3.22Å; R656-D689 IonicContact NH2-OD1 3.79Å; R656-D689 PolarHBondContact NH2-OD1 3.3Å; R656-D689 IonicContact NH2-OD2 3.37Å; R656-D689 PolarHBondContact NH2-OD2 3.15Å; R656-D689 VanDerWaalsContact NH2-OD2 3.15Å
657	W	93.3	Very high	89.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.5	-41.9	178.1	-76.4	98.9	0	0	0	112.7	V625 M628 F629 I632 I653 K659 L660 V661 C685 I686 D689 L706	V625-W657 HydrophobicContact CB-CZ3 4.48Å; V625-W657 HydrophobicContact CG1-CE3 3.97Å; V625-W657 HydrophobicContact CG1-CZ3 4.13Å; V625-W657 HydrophobicContact CG2-CZ3 4.2Å; M628-W657 HydrophobicContact CB-CE3 4.44Å; M628-W657 HydrophobicContact CE-CH2 4.26Å; M628-W657 HydrophobicContact CE-CZ2 4.35Å; M628-W657 HydrophobicContact CG-CD2 4.1Å; M628-W657 HydrophobicContact CG-CE3 4.19Å; M628-W657 HydrophobicContact CG-CZ3 4.48Å; M628-W657 HydrophobicContact SD-CD2 3.55Å; M628-W657 VanDerWaalsContact SD-CD2 3.55Å; M628-W657 HydrophobicContact SD-CE3 3.63Å; M628-W657 HydrophobicContact SD-CG 4.46Å; M628-W657 HydrophobicContact SD-CH2 3.24Å; M628-W657 WeakPolarHBondContact SD-CH2 3.39Å; M628-W657 HydrophobicContact SD-CZ2 3.12Å; M628-W657 WeakPolarHBondContact SD-CZ2 3.39Å; M628-W657 HydrophobicContact SD-CZ3 3.48Å; M628-W657 WeakPolarHBondContact SD-CZ3 3.37Å; F629-W657 HydrophobicContact CB-CB 4.25Å; F629-W657 HydrophobicContact CD2-CB 4.26Å; I632-W657 HydrophobicContact CD1-CB 4.01Å; I632-W657 HydrophobicContact CD1-CD2 4.3Å; I632-W657 HydrophobicContact CD1-CG 3.57Å; I653-W657 PolarHBondContact O-N 3.24Å; W657-K659 VanDerWaalsContact C-N 3.26Å; W657-K659 PolarHBondContact O-N 3.05Å; W657-L660 HydrophobicContact CE3-CD1 4.11Å; W657-L660 HydrophobicContact CZ3-CD1 4.2Å; W657-L660 WeakPolarHBondContact O-CB 3.28Å; W657-L660 PolarHBondContact O-N 2.7Å; W657-V661 WeakPolarHBondContact O-CG2 3.48Å; W657-V661 PolarHBondContact O-N 3.44Å; W657-C685 HydrophobicContact CH2-CB 4.23Å; W657-C685 HydrophobicContact CZ2-CB 3.94Å; W657-I686 HydrophobicContact CH2-CB 4.09Å; W657-I686 HydrophobicContact CH2-CD1 4.24Å; W657-I686 HydrophobicContact CZ2-CD1 4.46Å; W657-D689 WeakPolarHBondContact CZ2-OD2 3.45Å; W657-D689 PolarHBondContact NE1-OD2 2.98Å; W657-L706 HydrophobicContact CH2-CD2 3.96Å; W657-L706 HydrophobicContact CZ3-CD2 3.96Å
658	G	92.7	Very high	89.2	Confident	16 Å²	16	42.5 Å²	42.5	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-32.9	177.5	0	0	0	0	0	113	E654 V661 K662	E654-G658 WeakPolarHBondContact O-CA 3.4Å; E654-G658 PolarHBondContact O-N 2.8Å; G658-V661 PolarHBondContact O-N 3.42Å; G658-K662 WeakPolarHBondContact O-CB 3.47Å; G658-K662 PolarHBondContact O-N 2.97Å
659	K	91.4	Very high	89.1	Confident	49 Å²	49	44.2 Å²	44.2	21%	0.213	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-40.2	171.1	178.6	-179	161.2	-160.2	0	112	K348 R655 R656 W657 V661 K662 D663	K348-K659 PolarHBondContact O-NZ 2.72Å; R655-K659 WeakPolarHBondContact O-CB 3.49Å; R655-K659 PolarHBondContact O-N 2.86Å; R656-K659 PolarHBondContact O-N 3.43Å; W657-K659 VanDerWaalsContact C-N 3.26Å; W657-K659 PolarHBondContact O-N 3.05Å; K659-V661 VanDerWaalsContact C-N 3.34Å; K659-K662 PolarHBondContact O-N 2.9Å; K659-D663 WeakPolarHBondContact CE-OD2 3.48Å; K659-D663 WeakPolarHBondContact CG-OD2 3.34Å; K659-D663 VanDerWaalsContact O-CB 3.31Å; K659-D663 WeakPolarHBondContact O-CB 3.28Å; K659-D663 PolarHBondContact O-N 3.35Å
660	L	94.2	Very high	88.8	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-41.9	174.6	-66.8	174.8	0	0	0	111.2	V625 R656 W657 K662 D663 F664 D681 I682 C685	V625-L660 HydrophobicContact CG1-CB 4.02Å; R656-L660 PolarHBondContact O-N 3.4Å; W657-L660 HydrophobicContact CE3-CD1 4.11Å; W657-L660 HydrophobicContact CZ3-CD1 4.2Å; W657-L660 WeakPolarHBondContact O-CB 3.28Å; W657-L660 PolarHBondContact O-N 2.7Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.09Å; L660-D663 PolarHBondContact O-N 3.19Å; L660-F664 WeakPolarHBondContact O-CB 3.24Å; L660-F664 PolarHBondContact O-N 3.5Å; L660-D681 HydrophobicContact CD2-CB 3.99Å; L660-I682 HydrophobicContact CB-CG1 4.48Å; L660-I682 HydrophobicContact CD1-CG1 4.13Å; L660-I682 HydrophobicContact CD2-CG1 4.02Å; L660-I682 HydrophobicContact CG-CG1 4.44Å; L660-C685 HydrophobicContact CD1-CB 3.99Å
661	V	93.9	Very high	88.7	Confident	19 Å²	19	54.7 Å²	54.7	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-42.3	172.8	176.9	0	0	0	0	111.3	Y622 V625 K626 F629 W657 G658 K659	Y622-V661 HydrophobicContact CE2-CG1 4.2Å; Y622-V661 WeakPolarHBondContact CE2-O 3.13Å; V625-V661 HydrophobicContact CG1-CG2 3.81Å; K626-V661 HydrophobicContact CB-CG2 4.38Å; K626-V661 HydrophobicContact CG-CG1 4.44Å; F629-V661 HydrophobicContact CB-CG2 3.76Å; F629-V661 HydrophobicContact CD1-CG2 4.31Å; F629-V661 HydrophobicContact CG-CG2 4.11Å; W657-V661 WeakPolarHBondContact O-CG2 3.48Å; W657-V661 PolarHBondContact O-N 3.44Å; G658-V661 PolarHBondContact O-N 3.42Å; K659-V661 VanDerWaalsContact C-N 3.34Å
662	K	91	Very high	88.8	Confident	158 Å²	158	56.7 Å²	56.7	69%	0.687	29%	0.288	S	S	*	.	H	α-helix	trans	-73.1	-43.5	-179.1	-179	177.9	177.1	172.6	0	113.4	G658 K659 L660	G658-K662 WeakPolarHBondContact O-CB 3.47Å; G658-K662 PolarHBondContact O-N 2.97Å; K659-K662 PolarHBondContact O-N 2.9Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.09Å
663	D	91.5	Very high	89	Confident	54 Å²	54	57.7 Å²	57.7	29%	0.289	29%	0.294	S	S	.	.	H	α-helix	trans	-86.9	-29.8	-170.3	-69.4	-5.3	0	0	0	111.6	K659 L660 D675 K678	K659-D663 WeakPolarHBondContact CE-OD2 3.48Å; K659-D663 WeakPolarHBondContact CG-OD2 3.34Å; K659-D663 VanDerWaalsContact O-CB 3.31Å; K659-D663 WeakPolarHBondContact O-CB 3.28Å; K659-D663 PolarHBondContact O-N 3.35Å; L660-D663 PolarHBondContact O-N 3.19Å; D663-D675 WeakPolarHBondContact O-CB 3.31Å; D663-K678 HydrophobicContact CB-CD 3.82Å; D663-K678 HydrophobicContact CB-CG 4.27Å
664	F	95.2	Very high	89.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.8	-32.2	-176.5	-177.9	-138.1	0	0	0	113.2	C618 I621 Y622 L660 F674 D675 K678 I679 I682	C618-F664 HydrophobicContact CB-CZ 4.02Å; C618-F664 WeakPolarHBondContact O-CE1 3.36Å; I621-F664 HydrophobicContact CB-CE1 4.22Å; I621-F664 HydrophobicContact CG2-CE1 3.84Å; I621-F664 HydrophobicContact CG2-CZ 4.28Å; Y622-F664 AromaticContact CD2-CD1 3.96Å; Y622-F664 HydrophobicContact CD2-CD1 3.96Å; Y622-F664 HydrophobicContact CG-CD1 4.5Å; L660-F664 WeakPolarHBondContact O-CB 3.24Å; L660-F664 PolarHBondContact O-N 3.5Å; F664-F674 HydrophobicContact CD1-CD1 4.27Å; F664-F674 AromaticContact CE1-CD1 3.97Å; F664-F674 HydrophobicContact CE1-CD1 3.97Å; F664-F674 HydrophobicContact CE1-CE1 4.35Å; F664-F674 HydrophobicContact CE2-CB 4.17Å; F664-F674 HydrophobicContact CE2-CD1 4.27Å; F664-F674 AromaticContact CZ-CD1 3.98Å; F664-F674 HydrophobicContact CZ-CD1 3.98Å; F664-F674 HydrophobicContact CZ-CG 4.5Å; F664-F674 CarbonylContact O-C 3.6Å; F664-F674 WeakPolarHBondContact O-CA 3.29Å; F664-D675 PolarHBondContact O-N 3.2Å; F664-K678 HydrophobicContact CB-CB 4.35Å; F664-K678 HydrophobicContact CD2-CB 4.03Å; F664-I679 HydrophobicContact CE2-CG1 3.99Å; F664-I679 HydrophobicContact CZ-CG1 4.5Å; F664-I682 HydrophobicContact CB-CD1 4.23Å; F664-I682 HydrophobicContact CD1-CD1 3.77Å; F664-I682 HydrophobicContact CD2-CD1 3.87Å; F664-I682 HydrophobicContact CE1-CD1 4.05Å; F664-I682 HydrophobicContact CE2-CD1 4.13Å; F664-I682 HydrophobicContact CG-CD1 3.69Å; F664-I682 HydrophobicContact CZ-CD1 4.23Å
665	R	92.7	Very high	89.4	Confident	69 Å²	69	58.3 Å²	58.3	26%	0.26	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.7	179.1	-170.3	179.3	73.9	171.3	2.5	110.9	Y622 H672 V673 F674	Y622-R665 HydrophobicContact CD2-CB 3.54Å; Y622-R665 HydrophobicContact CD2-CG 4.45Å; Y622-R665 HydrophobicContact CE2-CB 3.44Å; Y622-R665 VanDerWaalsContact CE2-CB 3.44Å; Y622-R665 HydrophobicContact CE2-CG 4.36Å; Y622-R665 HydrophobicContact CG-CB 4.38Å; Y622-R665 VanDerWaalsContact CZ-NE 3.28Å; Y622-R665 PolarHBondContact OH-NH2 2.92Å; Y622-R665 VanDerWaalsContact OH-NH2 3.12Å; R665-H672 HydrophobicContact CG-CB 4.2Å; R665-V673 WeakPolarHBondContact CA-O 3.31Å; R665-F674 HydrophobicContact CB-CD1 3.99Å; R665-F674 HydrophobicContact CB-CE1 4.01Å; R665-F674 HydrophobicContact CG-CD1 4.06Å; R665-F674 HydrophobicContact CG-CE1 3.82Å; R665-F674 HydrophobicContact CG-CZ 4.46Å
666	Y	88.7	Confident	89.7	Confident	93 Å²	93	56 Å²	56	37%	0.365	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156	175.1	64.9	-86.6	0	0	0	111.4	K668 V673 D675	Y666-K668 HydrophobicContact CE2-CB 4.41Å; Y666-V673 HydrophobicContact CD2-CB 4.41Å; Y666-V673 HydrophobicContact CE1-CB 4.19Å; Y666-V673 HydrophobicContact CE1-CG1 4.03Å; Y666-V673 HydrophobicContact CE2-CB 3.92Å; Y666-V673 HydrophobicContact CE2-CG1 4.2Å; Y666-V673 PolarHBondContact N-O 3.44Å; Y666-V673 PolarHBondContact O-N 2.93Å; Y666-V673 VanDerWaalsContact O-O 3.13Å; Y666-V673 WeakPolarHBondContact OH-CG1 3.2Å; Y666-D675 HydrophobicContact CE1-CB 4.31Å
667	S	84.8	Confident	89.6	Confident	59 Å²	59	58.3 Å²	58.3	41%	0.413	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.9	178.2	-57.7	0	0	0	0	110.9	H672	S667-H672 PolarHBondContact OG-CE1 3.5Å; S667-H672 PolarHBondContact OG-ND1 3.2Å
668	K	79.9	Confident	89.7	Confident	153 Å²	153	59.2 Å²	59.2	67%	0.665	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	93.5	171.1	-171.2	-179.1	178.6	-175	0	107.7	Y666 I671 V673	Y666-K668 HydrophobicContact CE2-CB 4.41Å; K668-I671 PolarHBondContact N-O 3.03Å; K668-I671 PolarHBondContact O-N 3Å; K668-V673 HydrophobicContact CB-CG2 3.96Å
669	G	80.9	Confident	89.8	Confident	60 Å²	60	58.6 Å²	58.6	62%	0.619	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-133.7	-166.7	0	0	0	0	0	110.1	I671	G669-I671 VanDerWaalsContact C-N 3.29Å; G669-I671 PolarHBondContact O-N 2.85Å
670	N	79.3	Confident	89.9	Confident	173 Å²	173	57.5 Å²	57.5	93%	0.925	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.9	177.8	-65.9	-13.4	0	0	0	113.6
671	I	82.8	Confident	89.9	Confident	104 Å²	104	59.8 Å²	59.8	53%	0.533	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.1	-175.7	-55.8	174.7	0	0	0	109.9	K668 G669 V673	K668-I671 PolarHBondContact N-O 3.03Å; K668-I671 PolarHBondContact O-N 3Å; G669-I671 VanDerWaalsContact C-N 3.29Å; G669-I671 PolarHBondContact O-N 2.85Å; I671-V673 HydrophobicContact CG2-CG2 4.47Å
672	H	86.1	Confident	90.1	Very high	86 Å²	86	59 Å²	59	40%	0.398	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.9	168	-66.8	-50.3	0	0	0	110.6	R615 R665 S667	R615-H672 PolarHBondContact NH2-O 2.82Å; R665-H672 HydrophobicContact CG-CB 4.2Å; S667-H672 PolarHBondContact OG-CE1 3.5Å; S667-H672 PolarHBondContact OG-ND1 3.2Å
673	V	91	Very high	90.3	Very high	24 Å²	24	52 Å²	52	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.2	178.5	-175.1	0	0	0	0	108.6	Q583 R665 Y666 K668 I671	Q583-V673 HydrophobicContact CG-CG1 4.34Å; R665-V673 WeakPolarHBondContact CA-O 3.31Å; Y666-V673 HydrophobicContact CD2-CB 4.41Å; Y666-V673 HydrophobicContact CE1-CB 4.19Å; Y666-V673 HydrophobicContact CE1-CG1 4.03Å; Y666-V673 HydrophobicContact CE2-CB 3.92Å; Y666-V673 HydrophobicContact CE2-CG1 4.2Å; Y666-V673 PolarHBondContact N-O 3.44Å; Y666-V673 PolarHBondContact O-N 2.93Å; Y666-V673 VanDerWaalsContact O-O 3.13Å; Y666-V673 WeakPolarHBondContact OH-CG1 3.2Å; K668-V673 HydrophobicContact CB-CG2 3.96Å; I671-V673 HydrophobicContact CG2-CG2 4.47Å
674	F	93.6	Very high	90.3	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.8	176.4	-60.8	-79	0	0	0	111.2	H579 Q583 R615 C618 C619 Y622 F664 R665	H579-F674 PolarHBondContact CE1-O 3.15Å; H579-F674 PolarHBondContact NE2-O 3.43Å; H579-F674 VanDerWaalsContact NE2-O 3.14Å; Q583-F674 PolarHBondContact NE2-O 2.86Å; R615-F674 HydrophobicContact CG-CD2 4.42Å; R615-F674 HydrophobicContact CG-CE2 4.14Å; C618-F674 HydrophobicContact CB-CB 4.3Å; C618-F674 HydrophobicContact CB-CD1 3.98Å; C618-F674 HydrophobicContact CB-CD2 3.56Å; C618-F674 HydrophobicContact CB-CE1 4.17Å; C618-F674 HydrophobicContact CB-CE2 3.77Å; C618-F674 HydrophobicContact CB-CG 3.67Å; C618-F674 HydrophobicContact CB-CZ 4.08Å; C619-F674 HydrophobicContact CB-CZ 4.3Å; C619-F674 VanDerWaalsContact SG-CZ 3.54Å; Y622-F674 HydrophobicContact CG-CE1 4.3Å; F664-F674 HydrophobicContact CD1-CD1 4.27Å; F664-F674 AromaticContact CE1-CD1 3.97Å; F664-F674 HydrophobicContact CE1-CD1 3.97Å; F664-F674 HydrophobicContact CE1-CE1 4.35Å; F664-F674 HydrophobicContact CE2-CB 4.17Å; F664-F674 HydrophobicContact CE2-CD1 4.27Å; F664-F674 AromaticContact CZ-CD1 3.98Å; F664-F674 HydrophobicContact CZ-CD1 3.98Å; F664-F674 HydrophobicContact CZ-CG 4.5Å; F664-F674 CarbonylContact O-C 3.6Å; F664-F674 WeakPolarHBondContact O-CA 3.29Å; R665-F674 HydrophobicContact CB-CD1 3.99Å; R665-F674 HydrophobicContact CB-CE1 4.01Å; R665-F674 HydrophobicContact CG-CD1 4.06Å; R665-F674 HydrophobicContact CG-CE1 3.82Å; R665-F674 HydrophobicContact CG-CZ 4.46Å
675	D	93.2	Very high	90.3	Very high	38 Å²	38	50.9 Å²	50.9	20%	0.203	27%	0.273	C	S	.	.			trans	-92.2	99.7	169.5	-179.5	-1.1	0	0	0	109.3	D663 F664 Y666 S677 K678	D663-D675 WeakPolarHBondContact O-CB 3.31Å; F664-D675 PolarHBondContact O-N 3.2Å; Y666-D675 HydrophobicContact CE1-CB 4.31Å; D675-S677 VanDerWaalsContact CG-OG 3.23Å; D675-S677 PolarHBondContact O-N 2.87Å; D675-S677 VanDerWaalsContact O-N 3.15Å; D675-S677 VanDerWaalsContact OD1-CB 3.25Å; D675-S677 WeakPolarHBondContact OD1-CB 3.43Å; D675-S677 PolarHBondContact OD1-N 3.34Å; D675-S677 PolarHBondContact OD1-OG 3.5Å; D675-S677 PolarHBondContact OD2-OG 3.16Å; D675-K678 HydrophobicContact CB-CG 4.02Å; D675-K678 WeakPolarHBondContact O-CB 3.48Å; D675-K678 PolarHBondContact O-N 2.84Å
676	I	94.2	Very high	90.3	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59	-27.1	-179.2	-61.7	-49.6	0	0	0	112.3	H579 L582 Q583 K678 I679 V717	H579-I676 HydrophobicContact CB-CG1 4.41Å; L582-I676 HydrophobicContact CB-CD1 3.72Å; L582-I676 HydrophobicContact CB-CG1 4.09Å; L582-I676 HydrophobicContact CD1-CD1 4.19Å; L582-I676 HydrophobicContact CD1-CG1 4.35Å; L582-I676 HydrophobicContact CD1-CG2 3.73Å; Q583-I676 VanDerWaalsContact NE2-CG1 3.31Å; I676-K678 PolarHBondContact O-N 3.14Å; I676-I679 HydrophobicContact CB-CD1 4.47Å; I676-I679 HydrophobicContact CD1-CD1 3.82Å; I676-I679 HydrophobicContact CG2-CD1 4.08Å; I676-I679 WeakPolarHBondContact O-CB 3.19Å; I676-I679 PolarHBondContact O-N 2.97Å; I676-V717 HydrophobicContact CG2-CG1 4.23Å; I676-V717 HydrophobicContact CG2-CG2 3.81Å
677	S	91.3	Very high	90.4	Very high	54 Å²	54	43.4 Å²	43.4	38%	0.378	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-67.4	-7.1	178.1	80.2	0	0	0	0	113.6	D675	D675-S677 VanDerWaalsContact CG-OG 3.23Å; D675-S677 PolarHBondContact O-N 2.87Å; D675-S677 VanDerWaalsContact O-N 3.15Å; D675-S677 VanDerWaalsContact OD1-CB 3.25Å; D675-S677 WeakPolarHBondContact OD1-CB 3.43Å; D675-S677 PolarHBondContact OD1-N 3.34Å; D675-S677 PolarHBondContact OD1-OG 3.5Å; D675-S677 PolarHBondContact OD2-OG 3.16Å
678	K	94.4	Very high	90.8	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.083	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-92.7	-11.9	175.6	-59.5	-70.5	125.4	-88.1	0	112.8	D663 F664 D675 I676 D681 I682	D663-K678 HydrophobicContact CB-CD 3.82Å; D663-K678 HydrophobicContact CB-CG 4.27Å; F664-K678 HydrophobicContact CB-CB 4.35Å; F664-K678 HydrophobicContact CD2-CB 4.03Å; D675-K678 HydrophobicContact CB-CG 4.02Å; D675-K678 WeakPolarHBondContact O-CB 3.48Å; D675-K678 PolarHBondContact O-N 2.84Å; I676-K678 PolarHBondContact O-N 3.14Å; K678-D681 IonicContact NZ-OD2 3.18Å; K678-D681 PolarHBondContact NZ-OD2 3.37Å; K678-D681 WeakPolarHBondContact O-CB 3.5Å; K678-D681 PolarHBondContact O-N 2.96Å; K678-D681 VanDerWaalsContact O-N 3.12Å; K678-I682 VanDerWaalsContact O-CG1 3.31Å; K678-I682 WeakPolarHBondContact O-CG1 3.27Å; K678-I682 PolarHBondContact O-N 3.42Å
679	I	95.8	Very high	91.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-48.1	179.7	-71.1	167.8	0	0	0	111.7	F664 I676 D681 I682 Y683 M713 A714 V717	F664-I679 HydrophobicContact CE2-CG1 3.99Å; F664-I679 HydrophobicContact CZ-CG1 4.5Å; I676-I679 HydrophobicContact CB-CD1 4.47Å; I676-I679 HydrophobicContact CD1-CD1 3.82Å; I676-I679 HydrophobicContact CG2-CD1 4.08Å; I676-I679 WeakPolarHBondContact O-CB 3.19Å; I676-I679 PolarHBondContact O-N 2.97Å; I679-D681 VanDerWaalsContact C-N 3.29Å; I679-D681 PolarHBondContact O-N 3.23Å; I679-I682 PolarHBondContact O-N 3.49Å; I679-Y683 PolarHBondContact O-N 3.22Å; I679-M713 HydrophobicContact CD1-CB 4.28Å; I679-M713 HydrophobicContact CD1-CE 3.54Å; I679-M713 HydrophobicContact CG2-CB 3.68Å; I679-A714 HydrophobicContact CG2-CB 4.29Å; I679-V717 HydrophobicContact CD1-CG2 4.03Å; I679-V717 HydrophobicContact CG2-CG2 4.32Å
680	P	94.2	Very high	91.7	Very high	26 Å²	26	31.9 Å²	31.9	17%	0.169	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-37.5	174.6	-23.5	34.9	0	0	0	112.6	I682 Y683 D684 V717 V718	P680-I682 PolarHBondContact O-N 3.5Å; P680-Y683 PolarHBondContact O-N 3.44Å; P680-D684 VanDerWaalsContact O-CB 3.32Å; P680-D684 WeakPolarHBondContact O-CB 3.36Å; P680-D684 PolarHBondContact O-N 3.33Å; P680-V717 HydrophobicContact CG-CG1 4.1Å; P680-V718 HydrophobicContact CB-CG2 4.24Å; P680-V718 HydrophobicContact CG-CG2 4.03Å
681	D	94.4	Very high	92	Very high	55 Å²	55	26.4 Å²	26.4	29%	0.294	14%	0.139	S	C	.	.	H	α-helix	trans	-65.2	-37.4	177.4	-64.2	-36.1	0	0	0	111.8	L660 K678 I679 C685	L660-D681 HydrophobicContact CD2-CB 3.99Å; K678-D681 IonicContact NZ-OD2 3.18Å; K678-D681 PolarHBondContact NZ-OD2 3.37Å; K678-D681 WeakPolarHBondContact O-CB 3.5Å; K678-D681 PolarHBondContact O-N 2.96Å; K678-D681 VanDerWaalsContact O-N 3.12Å; I679-D681 VanDerWaalsContact C-N 3.29Å; I679-D681 PolarHBondContact O-N 3.23Å; D681-C685 WeakPolarHBondContact O-CB 3.1Å; D681-C685 PolarHBondContact O-N 3.13Å; D681-C685 VanDerWaalsContact O-N 3.11Å; D681-C685 PolarHBondContact O-SG 2.94Å
682	I	96.5	Very high	92.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-49.4	175.6	-67.3	164.5	0	0	0	109.7	I621 V625 L660 F664 K678 I679 P680 D684 C685 I686 L706	I621-I682 HydrophobicContact CG2-CD1 4.16Å; I621-I682 HydrophobicContact CG2-CG2 4.27Å; V625-I682 HydrophobicContact CG2-CD1 4.4Å; V625-I682 HydrophobicContact CG2-CG2 3.99Å; L660-I682 HydrophobicContact CB-CG1 4.48Å; L660-I682 HydrophobicContact CD1-CG1 4.13Å; L660-I682 HydrophobicContact CD2-CG1 4.02Å; L660-I682 HydrophobicContact CG-CG1 4.44Å; F664-I682 HydrophobicContact CB-CD1 4.23Å; F664-I682 HydrophobicContact CD1-CD1 3.77Å; F664-I682 HydrophobicContact CD2-CD1 3.87Å; F664-I682 HydrophobicContact CE1-CD1 4.05Å; F664-I682 HydrophobicContact CE2-CD1 4.13Å; F664-I682 HydrophobicContact CG-CD1 3.69Å; F664-I682 HydrophobicContact CZ-CD1 4.23Å; K678-I682 VanDerWaalsContact O-CG1 3.31Å; K678-I682 WeakPolarHBondContact O-CG1 3.27Å; K678-I682 PolarHBondContact O-N 3.42Å; I679-I682 PolarHBondContact O-N 3.49Å; P680-I682 PolarHBondContact O-N 3.5Å; I682-D684 PolarHBondContact O-N 2.76Å; I682-C685 PolarHBondContact O-N 3.22Å; I682-I686 WeakPolarHBondContact O-CG2 3.3Å; I682-I686 PolarHBondContact O-N 3Å; I682-L706 HydrophobicContact CG2-CD1 4.4Å
683	Y	95	Very high	92.3	Very high	11 Å²	11	19.1 Å²	19.1	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-46.8	178.7	177.6	-118.3	0	0	0	111.7	I679 P680 C685 I686 K687 Y707 K711 A714 E825	I679-Y683 PolarHBondContact O-N 3.22Å; P680-Y683 PolarHBondContact O-N 3.44Å; Y683-C685 VanDerWaalsContact C-N 3.3Å; Y683-C685 PolarHBondContact O-N 3.27Å; Y683-I686 HydrophobicContact CD2-CG2 4.4Å; Y683-I686 WeakPolarHBondContact O-CG2 3.48Å; Y683-I686 PolarHBondContact O-N 3.21Å; Y683-K687 HydrophobicContact CE1-CD 4.12Å; Y683-K687 WeakPolarHBondContact O-CB 3.42Å; Y683-K687 PolarHBondContact O-N 3.14Å; Y683-Y707 HydrophobicContact CE2-CD2 4.13Å; Y683-Y707 AromaticContact CE2-CE2 3.64Å; Y683-Y707 HydrophobicContact CE2-CE2 3.64Å; Y683-Y707 AromaticContact CE2-CZ 3.98Å; Y683-Y707 PolarHBondContact OH-OH 2.92Å; Y683-K711 HydrophobicContact CD2-CB 4Å; Y683-K711 HydrophobicContact CE2-CB 3.63Å; Y683-K711 HydrophobicContact CE2-CD 4.28Å; Y683-K711 HydrophobicContact CE2-CG 3.95Å; Y683-A714 HydrophobicContact CD1-CB 4.02Å; Y683-A714 HydrophobicContact CG-CB 3.99Å; Y683-E825 PolarHBondContact OH-OE1 3.37Å; Y683-E825 PolarHBondContact OH-OE2 3.29Å
684	D	93.3	Very high	91.7	Very high	30 Å²	30	20.3 Å²	20.3	16%	0.16	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-42.6	174.8	-92.3	11.8	0	0	0	112.4	R343 P680 I682 Y688	R343-D684 IonicContact CZ-OD2 2.82Å; R343-D684 VanDerWaalsContact CZ-OD2 3.25Å; R343-D684 IonicContact NH1-OD2 3.87Å; R343-D684 PolarHBondContact NH1-OD2 3.02Å; R343-D684 IonicContact NH2-OD2 3.63Å; R343-D684 PolarHBondContact NH2-OD2 3.06Å; P680-D684 VanDerWaalsContact O-CB 3.32Å; P680-D684 WeakPolarHBondContact O-CB 3.36Å; P680-D684 PolarHBondContact O-N 3.33Å; I682-D684 PolarHBondContact O-N 2.76Å; D684-Y688 VanDerWaalsContact O-CB 3.28Å; D684-Y688 WeakPolarHBondContact O-CB 3.27Å; D684-Y688 PolarHBondContact O-N 2.89Å
685	C	93.7	Very high	90.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-69.2	-46.2	-178.4	-74.3	0	0	0	0	112	W657 L660 D681 I682 Y683 Y688 D689	W657-C685 HydrophobicContact CH2-CB 4.23Å; W657-C685 HydrophobicContact CZ2-CB 3.94Å; L660-C685 HydrophobicContact CD1-CB 3.99Å; D681-C685 WeakPolarHBondContact O-CB 3.1Å; D681-C685 PolarHBondContact O-N 3.13Å; D681-C685 VanDerWaalsContact O-N 3.11Å; D681-C685 PolarHBondContact O-SG 2.94Å; I682-C685 PolarHBondContact O-N 3.22Å; Y683-C685 VanDerWaalsContact C-N 3.3Å; Y683-C685 PolarHBondContact O-N 3.27Å; C685-Y688 PolarHBondContact O-N 2.95Å; C685-D689 WeakPolarHBondContact O-CB 3.13Å; C685-D689 PolarHBondContact O-N 2.71Å
686	I	93.1	Very high	89.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.3	-40	179.4	-171.4	60.4	0	0	0	111.3	M628 W657 I682 Y683 D689 L690 M703 L706 Y707 S710	M628-I686 HydrophobicContact CE-CD1 3.49Å; M628-I686 VanDerWaalsContact CE-CD1 3.49Å; M628-I686 HydrophobicContact SD-CD1 4.34Å; W657-I686 HydrophobicContact CH2-CB 4.09Å; W657-I686 HydrophobicContact CH2-CD1 4.24Å; W657-I686 HydrophobicContact CZ2-CD1 4.46Å; I682-I686 WeakPolarHBondContact O-CG2 3.3Å; I682-I686 PolarHBondContact O-N 3Å; Y683-I686 HydrophobicContact CD2-CG2 4.4Å; Y683-I686 WeakPolarHBondContact O-CG2 3.48Å; Y683-I686 PolarHBondContact O-N 3.21Å; I686-D689 PolarHBondContact O-N 3.01Å; I686-L690 HydrophobicContact CD1-CD1 4.42Å; I686-L690 HydrophobicContact CD1-CG 4.43Å; I686-L690 HydrophobicContact CG1-CD1 4.03Å; I686-L690 HydrophobicContact CG1-CG 4.47Å; I686-L690 VanDerWaalsContact O-CB 3.29Å; I686-L690 WeakPolarHBondContact O-CB 3.46Å; I686-L690 WeakPolarHBondContact O-CG 3.31Å; I686-L690 PolarHBondContact O-N 3.49Å; I686-M703 HydrophobicContact CD1-CG 3.45Å; I686-M703 VanDerWaalsContact CD1-CG 3.45Å; I686-M703 HydrophobicContact CD1-SD 4.29Å; I686-L706 HydrophobicContact CD1-CD2 3.95Å; I686-L706 HydrophobicContact CD1-CG 4.31Å; I686-L706 HydrophobicContact CG1-CD2 4.29Å; I686-L706 HydrophobicContact CG1-CG 4.18Å; I686-Y707 HydrophobicContact CG2-CD2 4.15Å; I686-S710 WeakPolarHBondContact CG2-OG 3.32Å
687	K	91.6	Very high	88.9	Confident	5 Å²	5	24.3 Å²	24.3	2%	0.022	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-48.8	175.9	-179.3	169.2	177.9	165.3	0	111.2	Y683 D689 L690 E691 Y707 E825 N827	Y683-K687 HydrophobicContact CE1-CD 4.12Å; Y683-K687 WeakPolarHBondContact O-CB 3.42Å; Y683-K687 PolarHBondContact O-N 3.14Å; K687-D689 PolarHBondContact O-N 2.79Å; K687-L690 CarbonylContact O-C 3.47Å; K687-L690 PolarHBondContact O-N 3.49Å; K687-E691 VanDerWaalsContact CE-OE1 3.31Å; K687-E691 WeakPolarHBondContact CE-OE1 3.05Å; K687-E691 WeakPolarHBondContact CG-OE1 3.18Å; K687-E691 WeakPolarHBondContact O-CB 2.78Å; K687-E691 WeakPolarHBondContact O-CG 3.46Å; K687-E691 PolarHBondContact O-N 3.34Å; K687-Y707 HydrophobicContact CB-CE2 4.09Å; K687-Y707 HydrophobicContact CG-CE2 4.28Å; K687-E825 IonicContact NZ-OE1 2.65Å; K687-E825 PolarHBondContact NZ-OE1 2.93Å; K687-E825 IonicContact NZ-OE2 3.28Å; K687-E825 PolarHBondContact NZ-OE2 3.19Å; K687-N827 PolarHBondContact NZ-ND2 3.25Å; K687-N827 PolarHBondContact NZ-OD1 3.46Å
688	Y	92	Very high	87.5	Confident	7 Å²	7	27.7 Å²	27.7	3%	0.027	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-44.3	176	173.9	-99.5	0	0	0	112.6	T344 P345 T471 Y645 D684 C685 L690 E691 H692	T344-Y688 HydrophobicContact CG2-CE2 3.93Å; P345-Y688 HydrophobicContact CG-CD1 3.8Å; P345-Y688 HydrophobicContact CG-CD2 4.33Å; P345-Y688 HydrophobicContact CG-CG 3.67Å; T471-Y688 HydrophobicContact CG2-CE2 4.23Å; Y645-Y688 HydrophobicContact CD1-CE2 4.25Å; D684-Y688 VanDerWaalsContact O-CB 3.28Å; D684-Y688 WeakPolarHBondContact O-CB 3.27Å; D684-Y688 PolarHBondContact O-N 2.89Å; C685-Y688 PolarHBondContact O-N 2.95Å; Y688-L690 VanDerWaalsContact C-N 3.34Å; Y688-L690 PolarHBondContact O-N 3.42Å; Y688-E691 PolarHBondContact O-N 3Å; Y688-H692 AromaticContact CD2-CD2 3.33Å; Y688-H692 WeakPolarHBondContact CD2-CD2 3.39Å; Y688-H692 HydrophobicContact CE2-CB 4.35Å; Y688-H692 AromaticContact CE2-CD2 3.53Å; Y688-H692 WeakPolarHBondContact O-CB 3.28Å; Y688-H692 PolarHBondContact O-CD2 2.91Å; Y688-H692 VanDerWaalsContact O-CD2 3.31Å; Y688-H692 PolarHBondContact O-N 2.85Å
689	D	91.4	Very high	85.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.6	-34.4	-180	-75.1	-30.6	0	0	0	112.2	R656 W657 C685 I686 K687 E691 N693 V694 L697	R656-D689 IonicContact CZ-OD1 3.3Å; R656-D689 IonicContact CZ-OD2 3.44Å; R656-D689 IonicContact NH1-OD1 3.48Å; R656-D689 IonicContact NH1-OD2 3.27Å; R656-D689 PolarHBondContact NH1-OD2 3.22Å; R656-D689 IonicContact NH2-OD1 3.79Å; R656-D689 PolarHBondContact NH2-OD1 3.3Å; R656-D689 IonicContact NH2-OD2 3.37Å; R656-D689 PolarHBondContact NH2-OD2 3.15Å; R656-D689 VanDerWaalsContact NH2-OD2 3.15Å; W657-D689 WeakPolarHBondContact CZ2-OD2 3.45Å; W657-D689 PolarHBondContact NE1-OD2 2.98Å; C685-D689 WeakPolarHBondContact O-CB 3.13Å; C685-D689 PolarHBondContact O-N 2.71Å; I686-D689 PolarHBondContact O-N 3.01Å; K687-D689 PolarHBondContact O-N 2.79Å; D689-E691 VanDerWaalsContact C-N 3.33Å; D689-N693 HydrophobicContact CB-CB 4.48Å; D689-N693 CarbonylContact O-C 3.46Å; D689-N693 VanDerWaalsContact O-C 3.25Å; D689-N693 VanDerWaalsContact O-CA 3.3Å; D689-N693 WeakPolarHBondContact O-CA 3.35Å; D689-N693 WeakPolarHBondContact O-CB 3.47Å; D689-N693 PolarHBondContact O-N 2.83Å; D689-N693 PolarHBondContact OD1-ND2 2.96Å; D689-V694 PolarHBondContact O-N 2.87Å; D689-V694 VanDerWaalsContact O-N 3.13Å; D689-L697 HydrophobicContact CB-CD1 3.74Å
690	L	88.5	Confident	84.3	Confident	24 Å²	24	30.8 Å²	30.8	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-74.7	-15.5	172.5	-82	173.4	0	0	0	114.6	I686 K687 Y688 V694 M703 Y707 I864	I686-L690 HydrophobicContact CD1-CD1 4.42Å; I686-L690 HydrophobicContact CD1-CG 4.43Å; I686-L690 HydrophobicContact CG1-CD1 4.03Å; I686-L690 HydrophobicContact CG1-CG 4.47Å; I686-L690 VanDerWaalsContact O-CB 3.29Å; I686-L690 WeakPolarHBondContact O-CB 3.46Å; I686-L690 WeakPolarHBondContact O-CG 3.31Å; I686-L690 PolarHBondContact O-N 3.49Å; K687-L690 CarbonylContact O-C 3.47Å; K687-L690 PolarHBondContact O-N 3.49Å; Y688-L690 VanDerWaalsContact C-N 3.34Å; Y688-L690 PolarHBondContact O-N 3.42Å; L690-V694 HydrophobicContact CD2-CG2 4.5Å; L690-V694 WeakPolarHBondContact O-CG2 3.47Å; L690-M703 HydrophobicContact CD1-CG 4.37Å; L690-M703 HydrophobicContact CD2-CB 4.49Å; L690-M703 HydrophobicContact CD2-CG 3.68Å; L690-M703 HydrophobicContact CD2-SD 3.38Å; L690-M703 WeakPolarHBondContact CD2-SD 3.31Å; L690-M703 HydrophobicContact CG-CG 3.93Å; L690-M703 HydrophobicContact CG-SD 3.78Å; L690-Y707 VanDerWaalsContact CD1-CB 3.48Å; L690-Y707 HydrophobicContact CD1-CD2 3.55Å; L690-Y707 HydrophobicContact CD1-CE2 4.44Å; L690-Y707 HydrophobicContact CD1-CG 3.66Å; L690-I864 HydrophobicContact CD1-CD1 3.91Å
691	E	85.8	Confident	83.2	Confident	58 Å²	58	37.2 Å²	37.2	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-95.9	-37.3	175.8	-75.1	172.8	-175.8	0	0	110.9	K687 Y688 D689 C863	K687-E691 VanDerWaalsContact CE-OE1 3.31Å; K687-E691 WeakPolarHBondContact CE-OE1 3.05Å; K687-E691 WeakPolarHBondContact CG-OE1 3.18Å; K687-E691 WeakPolarHBondContact O-CB 2.78Å; K687-E691 WeakPolarHBondContact O-CG 3.46Å; K687-E691 PolarHBondContact O-N 3.34Å; Y688-E691 PolarHBondContact O-N 3Å; D689-E691 VanDerWaalsContact C-N 3.33Å; E691-C863 HydrophobicContact CG-CB 3.87Å
692	H	88.5	Confident	82.3	Confident	35 Å²	35	38.7 Å²	38.7	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-117.4	-23	-167	-59.9	-69.1	0	0	0	114.9	D342 Y645 Y688	D342-H692 IonicContact OD1-NE2 3.79Å; D342-H692 IonicContact OD2-CD2 2.98Å; D342-H692 IonicContact OD2-CE1 2.76Å; D342-H692 PolarHBondContact OD2-CE1 3.42Å; D342-H692 IonicContact OD2-NE2 3.15Å; D342-H692 PolarHBondContact OD2-NE2 2.99Å; Y645-H692 HydrophobicContact CD1-CB 3.76Å; Y645-H692 AromaticContact CD1-CG 3.8Å; Y645-H692 AromaticContact CD1-ND1 3.89Å; Y645-H692 HydrophobicContact CD2-CB 4.1Å; Y645-H692 HydrophobicContact CE1-CB 4.33Å; Y645-H692 AromaticContact CE1-CG 3.89Å; Y645-H692 AromaticContact CE1-ND1 3.53Å; Y645-H692 AromaticContact CE2-ND1 3.83Å; Y645-H692 HydrophobicContact CG-CB 3.63Å; Y645-H692 AromaticContact CZ-ND1 3.49Å; Y688-H692 AromaticContact CD2-CD2 3.33Å; Y688-H692 WeakPolarHBondContact CD2-CD2 3.39Å; Y688-H692 HydrophobicContact CE2-CB 4.35Å; Y688-H692 AromaticContact CE2-CD2 3.53Å; Y688-H692 WeakPolarHBondContact O-CB 3.28Å; Y688-H692 PolarHBondContact O-CD2 2.91Å; Y688-H692 VanDerWaalsContact O-CD2 3.31Å; Y688-H692 PolarHBondContact O-N 2.85Å
693	N	86.9	Confident	81.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.011	23%	0.225	C	C	.	.	S	Bend	trans	-119.3	13	-173.1	-64.2	-45.2	0	0	0	113.3	L644 Y645 D689 G695 I696 L697	L644-N693 HydrophobicContact CD2-CB 4.24Å; Y645-N693 WeakPolarHBondContact CB-OD1 3.32Å; Y645-N693 PolarHBondContact N-OD1 3.21Å; Y645-N693 VanDerWaalsContact N-OD1 3.16Å; D689-N693 HydrophobicContact CB-CB 4.48Å; D689-N693 CarbonylContact O-C 3.46Å; D689-N693 VanDerWaalsContact O-C 3.25Å; D689-N693 VanDerWaalsContact O-CA 3.3Å; D689-N693 WeakPolarHBondContact O-CA 3.35Å; D689-N693 WeakPolarHBondContact O-CB 3.47Å; D689-N693 PolarHBondContact O-N 2.83Å; D689-N693 PolarHBondContact OD1-ND2 2.96Å; N693-G695 PolarHBondContact O-N 3.18Å; N693-I696 PolarHBondContact O-N 3.02Å; N693-I696 VanDerWaalsContact O-N 3.14Å; N693-L697 HydrophobicContact CB-CD1 3.71Å; N693-L697 HydrophobicContact CB-CG 4.19Å; N693-L697 WeakPolarHBondContact O-CB 3.43Å; N693-L697 WeakPolarHBondContact O-CG 3.42Å; N693-L697 PolarHBondContact O-N 3.36Å
694	V	79.4	Confident	81.2	Confident	49 Å²	49	45.4 Å²	45.4	30%	0.297	25%	0.254	S	S	.	.	H	α-helix	trans	-53.8	-50.3	-179	178.9	0	0	0	0	111.7	D689 L690 I696 L697 L698	D689-V694 PolarHBondContact O-N 2.87Å; D689-V694 VanDerWaalsContact O-N 3.13Å; L690-V694 HydrophobicContact CD2-CG2 4.5Å; L690-V694 WeakPolarHBondContact O-CG2 3.47Å; V694-I696 PolarHBondContact O-N 2.65Å; V694-L697 CarbonylContact O-C 3.52Å; V694-L697 PolarHBondContact O-N 2.71Å; V694-L698 HydrophobicContact CG1-CD1 3.89Å; V694-L698 HydrophobicContact CG1-CD2 3.97Å; V694-L698 HydrophobicContact CG1-CG 3.58Å; V694-L698 WeakPolarHBondContact O-CA 3.16Å; V694-L698 WeakPolarHBondContact O-CB 3.5Å; V694-L698 WeakPolarHBondContact O-CG 3.33Å; V694-L698 PolarHBondContact O-N 3.03Å
695	G	75.3	Confident	81	Confident	70 Å²	70	47.2 Å²	47.2	72%	0.722	26%	0.261	S	S	*	.	H	α-helix	trans	-52.1	-36.9	-179	0	0	0	0	0	113.5	N693	N693-G695 PolarHBondContact O-N 3.18Å
696	I	73	Confident	81	Confident	62 Å²	62	47.2 Å²	47.2	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-88.6	-29.2	-178.2	-63.5	166.5	0	0	0	111.3	R635 L644 W650 N693 V694	R635-I696 PolarHBondContact NH1-O 3.42Å; L644-I696 HydrophobicContact CD2-CB 4.24Å; L644-I696 HydrophobicContact CD2-CD1 3.78Å; L644-I696 HydrophobicContact CD2-CG2 3.94Å; L644-I696 HydrophobicContact CG-CD1 4.45Å; W650-I696 HydrophobicContact CH2-CG2 3.5Å; W650-I696 VanDerWaalsContact CH2-CG2 3.5Å; W650-I696 HydrophobicContact CZ2-CG2 3.45Å; W650-I696 VanDerWaalsContact CZ2-CG2 3.45Å; N693-I696 PolarHBondContact O-N 3.02Å; N693-I696 VanDerWaalsContact O-N 3.14Å; V694-I696 PolarHBondContact O-N 2.65Å
697	L	74.2	Confident	80.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-104.1	-6.1	-173.3	-58.7	173.7	0	0	0	114.7	I653 D689 N693 V694 A699 I700 M703	I653-L697 HydrophobicContact CD1-CD1 4.19Å; I653-L697 HydrophobicContact CD1-CD2 4.35Å; D689-L697 HydrophobicContact CB-CD1 3.74Å; N693-L697 HydrophobicContact CB-CD1 3.71Å; N693-L697 HydrophobicContact CB-CG 4.19Å; N693-L697 WeakPolarHBondContact O-CB 3.43Å; N693-L697 WeakPolarHBondContact O-CG 3.42Å; N693-L697 PolarHBondContact O-N 3.36Å; V694-L697 CarbonylContact O-C 3.52Å; V694-L697 PolarHBondContact O-N 2.71Å; L697-A699 PolarHBondContact O-N 2.77Å; L697-I700 HydrophobicContact CB-CD1 4.22Å; L697-I700 HydrophobicContact CD2-CD1 3.93Å; L697-I700 WeakPolarHBondContact O-CB 2.92Å; L697-I700 VanDerWaalsContact O-CG1 3.3Å; L697-I700 WeakPolarHBondContact O-CG1 3.38Å; L697-I700 PolarHBondContact O-N 3.38Å; L697-M703 HydrophobicContact CB-CE 3.39Å; L697-M703 HydrophobicContact CB-SD 4.44Å; L697-M703 HydrophobicContact CD1-CE 4.15Å; L697-M703 HydrophobicContact CG-CE 4.36Å
698	L	60.8	Low	81	Confident	125 Å²	125	48.6 Å²	48.6	65%	0.654	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-38.7	-176.6	-98.4	156.7	0	0	0	114.6	V694 I700	V694-L698 HydrophobicContact CG1-CD1 3.89Å; V694-L698 HydrophobicContact CG1-CD2 3.97Å; V694-L698 HydrophobicContact CG1-CG 3.58Å; V694-L698 WeakPolarHBondContact O-CA 3.16Å; V694-L698 WeakPolarHBondContact O-CB 3.5Å; V694-L698 WeakPolarHBondContact O-CG 3.33Å; V694-L698 PolarHBondContact O-N 3.03Å; L698-I700 PolarHBondContact O-N 3.03Å
699	A	60	Low	81.1	Confident	77 Å²	77	48.3 Å²	48.3	64%	0.636	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	24.3	179.3	0	0	0	0	0	114	R635 L697	R635-A699 PolarHBondContact NH2-O 3.01Å; L697-A699 PolarHBondContact O-N 2.77Å
700	I	63.8	Low	81.2	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.046	27%	0.269	C	S	.	.	S	Bend	trans	-101	104.2	168.8	-62.9	179.6	0	0	0	107.4	M628 I631 L697 L698 M703	M628-I700 HydrophobicContact CE-CG2 4.45Å; M628-I700 HydrophobicContact CG-CD1 4.34Å; I631-I700 HydrophobicContact CB-CD1 4.41Å; I631-I700 HydrophobicContact CB-CG1 4.37Å; I631-I700 HydrophobicContact CD1-CB 4.43Å; I631-I700 HydrophobicContact CD1-CG1 4.29Å; I631-I700 HydrophobicContact CD1-CG2 3.79Å; I631-I700 HydrophobicContact CG2-CD1 4.03Å; I631-I700 HydrophobicContact CG2-CG1 3.72Å; L697-I700 HydrophobicContact CB-CD1 4.22Å; L697-I700 HydrophobicContact CD2-CD1 3.93Å; L697-I700 WeakPolarHBondContact O-CB 2.92Å; L697-I700 VanDerWaalsContact O-CG1 3.3Å; L697-I700 WeakPolarHBondContact O-CG1 3.38Å; L697-I700 PolarHBondContact O-N 3.38Å; L698-I700 PolarHBondContact O-N 3.03Å; I700-M703 HydrophobicContact CB-CE 3.98Å; I700-M703 HydrophobicContact CD1-CE 4.05Å; I700-M703 HydrophobicContact CG1-CE 4.44Å; I700-M703 HydrophobicContact CG2-CE 4.42Å
701	E	70.3	Confident	81.5	Confident	160 Å²	160	47.2 Å²	47.2	75%	0.748	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	142.6	170.6	-65.1	178.3	168.1	0	0	110.1	M703	E701-M703 PolarHBondContact O-N 3.04Å
702	H	75.7	Confident	81.9	Confident	87 Å²	87	45.5 Å²	45.5	40%	0.403	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	12.6	176.8	-46.4	-81.9	0	0	0	117.5	E704 E705 L706	H702-E704 VanDerWaalsContact C-N 3.34Å; H702-E704 PolarHBondContact O-N 3.15Å; H702-E705 HydrophobicContact CB-CB 4.18Å; H702-E705 IonicContact CE1-OE2 3.91Å; H702-E705 IonicContact CG-OE2 3.81Å; H702-E705 IonicContact ND1-OE2 2.92Å; H702-E705 PolarHBondContact ND1-OE2 3.02Å; H702-E705 PolarHBondContact O-N 2.75Å; H702-L706 PolarHBondContact O-N 2.97Å
703	M	82.6	Confident	82.2	Confident	16 Å²	16	43.9 Å²	43.9	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-44.8	176.3	-168	174.6	-70	0	0	112.6	M628 I686 L690 L697 I700 E701 E705 L706 Y707	M628-M703 HydrophobicContact CE-CE 3.84Å; M628-M703 HydrophobicContact CE-CG 3.94Å; I686-M703 HydrophobicContact CD1-CG 3.45Å; I686-M703 VanDerWaalsContact CD1-CG 3.45Å; I686-M703 HydrophobicContact CD1-SD 4.29Å; L690-M703 HydrophobicContact CD1-CG 4.37Å; L690-M703 HydrophobicContact CD2-CB 4.49Å; L690-M703 HydrophobicContact CD2-CG 3.68Å; L690-M703 HydrophobicContact CD2-SD 3.38Å; L690-M703 WeakPolarHBondContact CD2-SD 3.31Å; L690-M703 HydrophobicContact CG-CG 3.93Å; L690-M703 HydrophobicContact CG-SD 3.78Å; L697-M703 HydrophobicContact CB-CE 3.39Å; L697-M703 HydrophobicContact CB-SD 4.44Å; L697-M703 HydrophobicContact CD1-CE 4.15Å; L697-M703 HydrophobicContact CG-CE 4.36Å; I700-M703 HydrophobicContact CB-CE 3.98Å; I700-M703 HydrophobicContact CD1-CE 4.05Å; I700-M703 HydrophobicContact CG1-CE 4.44Å; I700-M703 HydrophobicContact CG2-CE 4.42Å; E701-M703 PolarHBondContact O-N 3.04Å; M703-E705 VanDerWaalsContact C-N 3.32Å; M703-E705 PolarHBondContact O-N 2.85Å; M703-L706 PolarHBondContact O-N 2.98Å; M703-Y707 PolarHBondContact O-N 3.2Å
704	E	85.1	Confident	82.6	Confident	136 Å²	136	44 Å²	44	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-63.4	-39.5	176.1	-60.6	-178.1	173.9	0	0	111.4	H702 L706 Y707 V708 I864	H702-E704 VanDerWaalsContact C-N 3.34Å; H702-E704 PolarHBondContact O-N 3.15Å; E704-L706 PolarHBondContact O-N 3.07Å; E704-Y707 WeakPolarHBondContact O-CB 3.39Å; E704-Y707 PolarHBondContact O-N 3.37Å; E704-V708 WeakPolarHBondContact O-CG2 3.47Å; E704-V708 PolarHBondContact O-N 2.87Å; E704-I864 HydrophobicContact CB-CD1 4.05Å; E704-I864 HydrophobicContact CG-CD1 3.87Å
705	E	90.5	Very high	83.3	Confident	68 Å²	68	41.9 Å²	41.9	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-41.1	177.3	-171.3	177.7	-173.7	0	0	111.7	K620 M624 H702 M703 Y707 V708 C709	K620-E705 WeakPolarHBondContact CE-OE1 3.26Å; K620-E705 IonicContact NZ-OE1 3.33Å; K620-E705 PolarHBondContact NZ-OE1 2.78Å; M624-E705 HydrophobicContact SD-CB 4.16Å; M624-E705 HydrophobicContact SD-CG 3.89Å; H702-E705 HydrophobicContact CB-CB 4.18Å; H702-E705 IonicContact CE1-OE2 3.91Å; H702-E705 IonicContact CG-OE2 3.81Å; H702-E705 IonicContact ND1-OE2 2.92Å; H702-E705 PolarHBondContact ND1-OE2 3.02Å; H702-E705 PolarHBondContact O-N 2.75Å; M703-E705 VanDerWaalsContact C-N 3.32Å; M703-E705 PolarHBondContact O-N 2.85Å; E705-Y707 VanDerWaalsContact C-N 3.33Å; E705-V708 PolarHBondContact O-N 3.06Å; E705-C709 WeakPolarHBondContact O-CB 3.37Å; E705-C709 PolarHBondContact O-N 3.12Å; E705-C709 PolarHBondContact O-SG 3.39Å
706	L	92.7	Very high	84.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-42	172.5	175.6	59.1	0	0	0	111.2	I621 M624 V625 M628 W657 I682 I686 H702 M703 E704 S710	I621-L706 HydrophobicContact CG2-CD1 4.04Å; M624-L706 HydrophobicContact CB-CB 4.21Å; M624-L706 HydrophobicContact CB-CD1 3.99Å; M624-L706 HydrophobicContact CB-CG 4.47Å; M624-L706 HydrophobicContact CE-CB 4.26Å; M624-L706 HydrophobicContact CE-CD1 4.08Å; M624-L706 HydrophobicContact SD-CB 4.15Å; V625-L706 HydrophobicContact CG2-CD1 3.9Å; V625-L706 HydrophobicContact CG2-CD2 4.33Å; M628-L706 HydrophobicContact CE-CD2 3.79Å; M628-L706 HydrophobicContact SD-CD2 4.26Å; W657-L706 HydrophobicContact CH2-CD2 3.96Å; W657-L706 HydrophobicContact CZ3-CD2 3.96Å; I682-L706 HydrophobicContact CG2-CD1 4.4Å; I686-L706 HydrophobicContact CD1-CD2 3.95Å; I686-L706 HydrophobicContact CD1-CG 4.31Å; I686-L706 HydrophobicContact CG1-CD2 4.29Å; I686-L706 HydrophobicContact CG1-CG 4.18Å; H702-L706 PolarHBondContact O-N 2.97Å; M703-L706 PolarHBondContact O-N 2.98Å; E704-L706 PolarHBondContact O-N 3.07Å; L706-S710 WeakPolarHBondContact O-CB 3.31Å; L706-S710 PolarHBondContact O-N 3.13Å; L706-S710 PolarHBondContact O-OG 3.4Å
707	Y	91.7	Very high	85.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-52.6	175.1	177	-89.5	0	0	0	111.6	Y683 I686 K687 L690 M703 E704 E705 C709 S710 K711 I864 T866	Y683-Y707 HydrophobicContact CE2-CD2 4.13Å; Y683-Y707 AromaticContact CE2-CE2 3.64Å; Y683-Y707 HydrophobicContact CE2-CE2 3.64Å; Y683-Y707 AromaticContact CE2-CZ 3.98Å; Y683-Y707 PolarHBondContact OH-OH 2.92Å; I686-Y707 HydrophobicContact CG2-CD2 4.15Å; K687-Y707 HydrophobicContact CB-CE2 4.09Å; K687-Y707 HydrophobicContact CG-CE2 4.28Å; L690-Y707 VanDerWaalsContact CD1-CB 3.48Å; L690-Y707 HydrophobicContact CD1-CD2 3.55Å; L690-Y707 HydrophobicContact CD1-CE2 4.44Å; L690-Y707 HydrophobicContact CD1-CG 3.66Å; M703-Y707 PolarHBondContact O-N 3.2Å; E704-Y707 WeakPolarHBondContact O-CB 3.39Å; E704-Y707 PolarHBondContact O-N 3.37Å; E705-Y707 VanDerWaalsContact C-N 3.33Å; Y707-C709 PolarHBondContact O-N 3.11Å; Y707-S710 PolarHBondContact O-N 2.76Å; Y707-S710 PolarHBondContact O-OG 3.47Å; Y707-S710 VanDerWaalsContact O-OG 3.09Å; Y707-K711 HydrophobicContact CE1-CD 4Å; Y707-K711 WeakPolarHBondContact O-CB 3.36Å; Y707-K711 PolarHBondContact O-N 3.45Å; Y707-I864 HydrophobicContact CD1-CB 3.99Å; Y707-I864 HydrophobicContact CD1-CD1 3.82Å; Y707-I864 HydrophobicContact CD1-CG1 4.31Å; Y707-I864 HydrophobicContact CE1-CB 3.73Å; Y707-I864 HydrophobicContact CE1-CD1 4.38Å; Y707-I864 HydrophobicContact CE1-CG1 4.37Å; Y707-I864 HydrophobicContact CG-CD1 4.11Å; Y707-T866 HydrophobicContact CE1-CG2 4.43Å
708	V	92	Very high	86.1	Confident	35 Å²	35	36.8 Å²	36.8	21%	0.212	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-47	-179	173.6	0	0	0	0	111.2	F610 E704 E705 K711 H712 T866	F610-V708 HydrophobicContact CE1-CG1 4.39Å; F610-V708 HydrophobicContact CE2-CG1 4.36Å; F610-V708 HydrophobicContact CZ-CG1 3.88Å; E704-V708 WeakPolarHBondContact O-CG2 3.47Å; E704-V708 PolarHBondContact O-N 2.87Å; E705-V708 PolarHBondContact O-N 3.06Å; V708-K711 PolarHBondContact O-N 3.08Å; V708-H712 PolarHBondContact O-CD2 2.9Å; V708-H712 PolarHBondContact O-N 3.21Å; V708-T866 HydrophobicContact CG2-CG2 3.98Å
709	C	94.7	Very high	87.6	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-45.5	-179.7	-65.7	0	0	0	0	112.1	M617 I621 M624 E705 Y707 K711 M713	M617-C709 HydrophobicContact SD-CB 3.76Å; I621-C709 HydrophobicContact CD1-CB 4.3Å; I621-C709 HydrophobicContact CG1-CB 3.89Å; M624-C709 HydrophobicContact CE-CB 3.89Å; E705-C709 WeakPolarHBondContact O-CB 3.37Å; E705-C709 PolarHBondContact O-N 3.12Å; E705-C709 PolarHBondContact O-SG 3.39Å; Y707-C709 PolarHBondContact O-N 3.11Å; C709-K711 VanDerWaalsContact C-N 3.35Å; C709-M713 WeakPolarHBondContact O-CG 3.4Å; C709-M713 PolarHBondContact O-N 2.86Å
710	S	94.7	Very high	89.3	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-68.3	-35.3	178.6	62.1	0	0	0	0	112.1	I686 L706 Y707 M713 A714	I686-S710 WeakPolarHBondContact CG2-OG 3.32Å; L706-S710 WeakPolarHBondContact O-CB 3.31Å; L706-S710 PolarHBondContact O-N 3.13Å; L706-S710 PolarHBondContact O-OG 3.4Å; Y707-S710 PolarHBondContact O-N 2.76Å; Y707-S710 PolarHBondContact O-OG 3.47Å; Y707-S710 VanDerWaalsContact O-OG 3.09Å; S710-M713 PolarHBondContact O-N 3.29Å; S710-A714 WeakPolarHBondContact O-CB 3.35Å; S710-A714 PolarHBondContact O-N 3.17Å
711	K	93.8	Very high	90.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-53.9	173.8	179.7	167.5	169.6	44.9	0	111.3	Y683 Y707 V708 C709 M713 A714 D715 T824 T866	Y683-K711 HydrophobicContact CD2-CB 4Å; Y683-K711 HydrophobicContact CE2-CB 3.63Å; Y683-K711 HydrophobicContact CE2-CD 4.28Å; Y683-K711 HydrophobicContact CE2-CG 3.95Å; Y707-K711 HydrophobicContact CE1-CD 4Å; Y707-K711 WeakPolarHBondContact O-CB 3.36Å; Y707-K711 PolarHBondContact O-N 3.45Å; V708-K711 PolarHBondContact O-N 3.08Å; C709-K711 VanDerWaalsContact C-N 3.35Å; K711-M713 PolarHBondContact O-N 3.09Å; K711-A714 CarbonylContact O-C 3.52Å; K711-A714 WeakPolarHBondContact O-CA 3.44Å; K711-A714 WeakPolarHBondContact O-CB 3.32Å; K711-A714 PolarHBondContact O-N 3.05Å; K711-D715 WeakPolarHBondContact CG-OD1 3.13Å; K711-D715 IonicContact NZ-OD1 3.87Å; K711-D715 PolarHBondContact NZ-OD1 2.71Å; K711-D715 IonicContact NZ-OD2 3.63Å; K711-D715 PolarHBondContact O-N 3.41Å; K711-T824 PolarHBondContact NZ-OG1 3.01Å; K711-T866 HydrophobicContact CD-CG2 4.36Å; K711-T866 WeakPolarHBondContact CE-OG1 3.4Å
712	H	94.6	Very high	91.7	Very high	22 Å²	22	22.6 Å²	22.6	10%	0.102	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-35.6	179.2	-77.1	-60.9	0	0	0	112.7	A607 F610 I611 V708	A607-H712 HydrophobicContact CB-CB 4.29Å; A607-H712 WeakPolarHBondContact CB-O 3.46Å; F610-H712 HydrophobicContact CD1-CB 4.05Å; F610-H712 AromaticContact CD1-CD2 3.39Å; F610-H712 WeakPolarHBondContact CD1-CD2 3.43Å; F610-H712 AromaticContact CD1-CG 3.81Å; F610-H712 AromaticContact CE1-CD2 3.66Å; F610-H712 AromaticContact CG-CD2 3.63Å; F610-H712 AromaticContact CG-NE2 3.89Å; I611-H712 HydrophobicContact CD1-CB 4.25Å; I611-H712 HydrophobicContact CG1-CB 4.32Å; V708-H712 PolarHBondContact O-CD2 2.9Å; V708-H712 PolarHBondContact O-N 3.21Å
713	M	95.4	Very high	92.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-67.7	-40.2	172.8	-69.7	-68.5	-64.9	0	0	111.9	L582 I611 M617 C618 I621 I679 C709 S710 K711 I716 V717	L582-M713 HydrophobicContact CD1-CE 4.27Å; L582-M713 HydrophobicContact CD2-CE 4.36Å; I611-M713 HydrophobicContact CD1-CG 4.13Å; I611-M713 HydrophobicContact CD1-SD 3.43Å; I611-M713 WeakPolarHBondContact CD1-SD 3.39Å; I611-M713 HydrophobicContact CG1-CG 4.5Å; I611-M713 HydrophobicContact CG1-SD 3.87Å; I611-M713 HydrophobicContact CG2-SD 4.08Å; M617-M713 HydrophobicContact CB-SD 4.12Å; M617-M713 HydrophobicContact CG-CG 3.78Å; M617-M713 HydrophobicContact CG-SD 3.75Å; C618-M713 VanDerWaalsContact SG-CE 3.58Å; I621-M713 HydrophobicContact CD1-CB 4.29Å; I621-M713 HydrophobicContact CD1-CG 3.59Å; I679-M713 HydrophobicContact CD1-CB 4.28Å; I679-M713 HydrophobicContact CD1-CE 3.54Å; I679-M713 HydrophobicContact CG2-CB 3.68Å; C709-M713 WeakPolarHBondContact O-CG 3.4Å; C709-M713 PolarHBondContact O-N 2.86Å; S710-M713 PolarHBondContact O-N 3.29Å; K711-M713 PolarHBondContact O-N 3.09Å; M713-I716 PolarHBondContact O-N 2.74Å; M713-V717 VanDerWaalsContact O-CG2 3.32Å; M713-V717 WeakPolarHBondContact O-CG2 3.02Å; M713-V717 PolarHBondContact O-N 2.94Å
714	A	94.5	Very high	93	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.025	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-38.4	176.9	0	0	0	0	0	112.5	I679 Y683 S710 K711 I716 V717 V718	I679-A714 HydrophobicContact CG2-CB 4.29Å; Y683-A714 HydrophobicContact CD1-CB 4.02Å; Y683-A714 HydrophobicContact CG-CB 3.99Å; S710-A714 WeakPolarHBondContact O-CB 3.35Å; S710-A714 PolarHBondContact O-N 3.17Å; K711-A714 CarbonylContact O-C 3.52Å; K711-A714 WeakPolarHBondContact O-CA 3.44Å; K711-A714 WeakPolarHBondContact O-CB 3.32Å; K711-A714 PolarHBondContact O-N 3.05Å; A714-I716 PolarHBondContact O-N 3.28Å; A714-I716 VanDerWaalsContact O-N 3.1Å; A714-V717 PolarHBondContact O-N 3.41Å; A714-V718 HydrophobicContact CB-CG2 4.2Å; A714-V718 VanDerWaalsContact O-CB 3.29Å; A714-V718 WeakPolarHBondContact O-CB 3.22Å; A714-V718 WeakPolarHBondContact O-CG2 3.42Å; A714-V718 PolarHBondContact O-N 2.84Å
715	D	93.3	Very high	93.3	Very high	6 Å²	6	13.7 Å²	13.7	3%	0.032	7%	0.074	C	C	.	.	H	α-helix	trans	-57.9	-24.3	176.1	-67.8	-3	0	0	0	112	T603 A607 K711 F719	T603-D715 HydrophobicContact CG2-CB 3.97Å; A607-D715 HydrophobicContact CB-CB 4.24Å; K711-D715 WeakPolarHBondContact CG-OD1 3.13Å; K711-D715 IonicContact NZ-OD1 3.87Å; K711-D715 PolarHBondContact NZ-OD1 2.71Å; K711-D715 IonicContact NZ-OD2 3.63Å; K711-D715 PolarHBondContact O-N 3.41Å; D715-F719 VanDerWaalsContact O-CD2 3.31Å; D715-F719 WeakPolarHBondContact O-CD2 3.22Å
716	I	94.4	Very high	93.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-88.5	-57.2	170.3	-58.1	172.8	0	0	0	110.2	I596 I604 A607 L608 I611 M713 A714 V718 Q720	I596-I716 HydrophobicContact CG1-CG2 4.2Å; I604-I716 HydrophobicContact CG2-CG1 4.33Å; A607-I716 HydrophobicContact CB-CD1 3.97Å; A607-I716 HydrophobicContact CB-CG1 3.71Å; L608-I716 HydrophobicContact CD2-CD1 3.55Å; L608-I716 HydrophobicContact CG-CD1 3.82Å; I611-I716 HydrophobicContact CD1-CD1 3.4Å; I611-I716 VanDerWaalsContact CD1-CD1 3.4Å; I611-I716 HydrophobicContact CD1-CG1 4.45Å; M713-I716 PolarHBondContact O-N 2.74Å; A714-I716 PolarHBondContact O-N 3.28Å; A714-I716 VanDerWaalsContact O-N 3.1Å; I716-V718 PolarHBondContact O-N 3.15Å; I716-Q720 HydrophobicContact CG2-CG 4.4Å; I716-Q720 VanDerWaalsContact O-CB 3.31Å; I716-Q720 WeakPolarHBondContact O-CB 3.37Å; I716-Q720 VanDerWaalsContact O-CG 3.24Å; I716-Q720 WeakPolarHBondContact O-CG 3.4Å; I716-Q720 PolarHBondContact O-N 2.98Å; I716-Q720 VanDerWaalsContact O-N 3.09Å
717	V	94.8	Very high	93.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-51.3	-169.7	173.2	0	0	0	0	111	L582 I676 I679 P680 M713 A714 F719 Q720 E721	L582-V717 HydrophobicContact CD1-CG2 3.63Å; I676-V717 HydrophobicContact CG2-CG1 4.23Å; I676-V717 HydrophobicContact CG2-CG2 3.81Å; I679-V717 HydrophobicContact CD1-CG2 4.03Å; I679-V717 HydrophobicContact CG2-CG2 4.32Å; P680-V717 HydrophobicContact CG-CG1 4.1Å; M713-V717 VanDerWaalsContact O-CG2 3.32Å; M713-V717 WeakPolarHBondContact O-CG2 3.02Å; M713-V717 PolarHBondContact O-N 2.94Å; A714-V717 PolarHBondContact O-N 3.41Å; V717-F719 PolarHBondContact O-N 2.76Å; V717-Q720 PolarHBondContact O-N 3.42Å; V717-E721 HydrophobicContact CG1-CG 4.3Å; V717-E721 VanDerWaalsContact O-CG 3.31Å; V717-E721 WeakPolarHBondContact O-CG 3.47Å; V717-E721 PolarHBondContact O-N 2.64Å
718	V	93.6	Very high	93.2	Very high	23 Å²	23	23 Å²	23	14%	0.139	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-48.2	-172.7	175.7	0	0	0	0	111.6	P680 A714 I716 E721 Y722 E789	P680-V718 HydrophobicContact CB-CG2 4.24Å; P680-V718 HydrophobicContact CG-CG2 4.03Å; A714-V718 HydrophobicContact CB-CG2 4.2Å; A714-V718 VanDerWaalsContact O-CB 3.29Å; A714-V718 WeakPolarHBondContact O-CB 3.22Å; A714-V718 WeakPolarHBondContact O-CG2 3.42Å; A714-V718 PolarHBondContact O-N 2.84Å; I716-V718 PolarHBondContact O-N 3.15Å; V718-E721 PolarHBondContact O-N 2.82Å; V718-Y722 VanDerWaalsContact O-CD2 3.28Å; V718-Y722 WeakPolarHBondContact O-CD2 3.49Å; V718-E789 WeakPolarHBondContact CG1-OE1 3.47Å
719	F	92.2	Very high	93.2	Very high	20 Å²	20	21.7 Å²	21.7	9%	0.088	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-39.6	178.4	-79.5	-85.3	0	0	0	112.6	I604 D715 V717 E721 Y722 K729 H793 T824 Y826	I604-F719 HydrophobicContact CD1-CB 4.42Å; D715-F719 VanDerWaalsContact O-CD2 3.31Å; D715-F719 WeakPolarHBondContact O-CD2 3.22Å; V717-F719 PolarHBondContact O-N 2.76Å; F719-E721 VanDerWaalsContact C-N 3.33Å; F719-Y722 PolarHBondContact O-N 3.32Å; F719-K729 PolarHBondContact O-NZ 3.19Å; F719-H793 AromaticContact CD1-CE1 3.78Å; F719-H793 AromaticContact CD1-ND1 3.74Å; F719-H793 AromaticContact CE1-CE1 3.79Å; F719-H793 AromaticContact CE1-ND1 3.91Å; F719-T824 WeakPolarHBondContact CE2-O 3.38Å; F719-Y826 HydrophobicContact CD1-CE2 4.45Å; F719-Y826 HydrophobicContact CE1-CD2 4.27Å; F719-Y826 HydrophobicContact CE1-CE1 4.25Å; F719-Y826 AromaticContact CE1-CE2 3.64Å; F719-Y826 HydrophobicContact CE1-CE2 3.64Å; F719-Y826 AromaticContact CE1-CZ 3.64Å; F719-Y826 HydrophobicContact CZ-CE1 4.41Å; F719-Y826 HydrophobicContact CZ-CE2 4.31Å
720	Q	93.9	Very high	93.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-77	-18.7	-178.4	-62.1	-56.2	74.1	0	0	112.5	V574 L578 I596 I604 I716 V717 Y722 G723 I724	V574-Q720 WeakPolarHBondContact CG1-O 3.24Å; L578-Q720 HydrophobicContact CD1-CB 4.04Å; L578-Q720 HydrophobicContact CD2-CB 3.84Å; L578-Q720 HydrophobicContact CG-CB 4.48Å; I596-Q720 PolarHBondContact O-NE2 2.82Å; I604-Q720 HydrophobicContact CD1-CG 4.12Å; I716-Q720 HydrophobicContact CG2-CG 4.4Å; I716-Q720 VanDerWaalsContact O-CB 3.31Å; I716-Q720 WeakPolarHBondContact O-CB 3.37Å; I716-Q720 VanDerWaalsContact O-CG 3.24Å; I716-Q720 WeakPolarHBondContact O-CG 3.4Å; I716-Q720 PolarHBondContact O-N 2.98Å; I716-Q720 VanDerWaalsContact O-N 3.09Å; V717-Q720 PolarHBondContact O-N 3.42Å; Q720-Y722 PolarHBondContact O-N 3.05Å; Q720-Y722 VanDerWaalsContact O-N 3.11Å; Q720-G723 CarbonylContact O-C 3.58Å; Q720-G723 PolarHBondContact O-N 3.02Å; Q720-G723 PolarHBondContact OE1-O 3.01Å; Q720-I724 HydrophobicContact CB-CG1 4.27Å
721	E	92.5	Very high	92.8	Very high	29 Å²	29	26.4 Å²	26.4	14%	0.136	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21	170.3	-76.7	-164.4	157.8	0	0	113.5	K575 L578 V717 V718 F719	K575-E721 HydrophobicContact CG-CG 4.15Å; K575-E721 IonicContact NZ-OE1 3.8Å; K575-E721 PolarHBondContact NZ-OE1 2.92Å; K575-E721 IonicContact NZ-OE2 2.64Å; K575-E721 PolarHBondContact NZ-OE2 3.49Å; L578-E721 HydrophobicContact CD1-CG 4.26Å; V717-E721 HydrophobicContact CG1-CG 4.3Å; V717-E721 VanDerWaalsContact O-CG 3.31Å; V717-E721 WeakPolarHBondContact O-CG 3.47Å; V717-E721 PolarHBondContact O-N 2.64Å; V718-E721 PolarHBondContact O-N 2.82Å; F719-E721 VanDerWaalsContact C-N 3.33Å
722	Y	92.3	Very high	92.7	Very high	25 Å²	25	26.4 Å²	26.4	10%	0.098	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	22.8	176.4	-61	-86.9	0	0	0	113.3	V718 F719 Q720 K729 I732 I736 S790 H793 N797	V718-Y722 VanDerWaalsContact O-CD2 3.28Å; V718-Y722 WeakPolarHBondContact O-CD2 3.49Å; F719-Y722 PolarHBondContact O-N 3.32Å; Q720-Y722 PolarHBondContact O-N 3.05Å; Q720-Y722 VanDerWaalsContact O-N 3.11Å; Y722-K729 WeakPolarHBondContact O-CA 3.34Å; Y722-I732 HydrophobicContact CD1-CG2 4.31Å; Y722-I736 HydrophobicContact CD1-CD1 4.29Å; Y722-I736 HydrophobicContact CE1-CD1 4.22Å; Y722-S790 VanDerWaalsContact OH-CA 3.28Å; Y722-S790 WeakPolarHBondContact OH-CA 3.28Å; Y722-S790 WeakPolarHBondContact OH-CB 3.43Å; Y722-H793 HydrophobicContact CD1-CB 4.05Å; Y722-H793 HydrophobicContact CD2-CB 3.63Å; Y722-H793 AromaticContact CD2-CD2 3.92Å; Y722-H793 AromaticContact CD2-CG 3.63Å; Y722-H793 HydrophobicContact CE1-CB 4.25Å; Y722-H793 HydrophobicContact CE2-CB 3.86Å; Y722-H793 AromaticContact CE2-CD2 3.47Å; Y722-H793 VanDerWaalsContact CE2-CD2 3.47Å; Y722-H793 WeakPolarHBondContact CE2-CD2 3.21Å; Y722-H793 AromaticContact CE2-CG 3.68Å; Y722-H793 HydrophobicContact CG-CB 3.75Å; Y722-N797 PolarHBondContact O-ND2 2.93Å
723	G	93.1	Very high	92.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.			trans	114.4	147.8	176.1	0	0	0	0	0	112.1	Q720 K729	Q720-G723 CarbonylContact O-C 3.58Å; Q720-G723 PolarHBondContact O-N 3.02Å; Q720-G723 PolarHBondContact OE1-O 3.01Å; G723-K729 VanDerWaalsContact O-CE 3.23Å; G723-K729 WeakPolarHBondContact O-CE 3.42Å; G723-K729 WeakPolarHBondContact O-CG 3.43Å; G723-K729 PolarHBondContact O-NZ 2.81Å
724	I	92.7	Very high	92.2	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.072	16%	0.158	C	C	.	.	S	Bend	trans	-101.1	-58.1	-179.5	-63.7	172.8	0	0	0	109.6	V574 F577 P598 Q720 E728	V574-I724 HydrophobicContact CG1-CD1 3.88Å; V574-I724 HydrophobicContact CG1-CG1 3.75Å; F577-I724 HydrophobicContact CB-CD1 4.47Å; F577-I724 HydrophobicContact CD1-CD1 3.16Å; F577-I724 HydrophobicContact CE1-CD1 3.5Å; F577-I724 HydrophobicContact CG-CD1 4Å; P598-I724 HydrophobicContact CG-CG2 3.86Å; P598-I724 WeakPolarHBondContact CG-O 3.3Å; Q720-I724 HydrophobicContact CB-CG1 4.27Å; I724-E728 WeakPolarHBondContact CB-OE2 3.32Å; I724-E728 PolarHBondContact N-OE2 3.25Å
725	A	91.9	Very high	91.8	Very high	37 Å²	37	30.3 Å²	30.3	31%	0.306	16%	0.164	S	C	.	.	S	Bend	trans	-75.5	156.5	173.6	0	0	0	0	0	111.2	E727 E728 K729	A725-E727 VanDerWaalsContact C-N 3.29Å; A725-E727 PolarHBondContact O-N 3.32Å; A725-E728 HydrophobicContact CB-CG 4.19Å; A725-E728 PolarHBondContact N-OE2 3.3Å; A725-E728 VanDerWaalsContact N-OE2 3.1Å; A725-E728 PolarHBondContact O-N 2.71Å; A725-K729 WeakPolarHBondContact O-CG 3.33Å; A725-K729 PolarHBondContact O-N 2.92Å
726	A	91.1	Very high	91.6	Very high	42 Å²	42	30 Å²	30	35%	0.347	16%	0.162	S	C	.	.	H	α-helix	trans	-56.7	-43	179.1	0	0	0	0	0	112.1	T599 K729 V730 F801	T599-A726 HydrophobicContact CG2-CB 4.36Å; A726-K729 WeakPolarHBondContact O-CB 3.39Å; A726-K729 PolarHBondContact O-N 2.6Å; A726-V730 WeakPolarHBondContact O-CG2 3.49Å; A726-V730 PolarHBondContact O-N 2.89Å; A726-F801 HydrophobicContact CB-CB 4.37Å; A726-F801 HydrophobicContact CB-CD1 3.91Å; A726-F801 HydrophobicContact CB-CG 4.22Å
727	E	90.3	Very high	91.3	Very high	158 Å²	158	30 Å²	30	74%	0.738	16%	0.162	S	C	*	.	H	α-helix	trans	-61.7	-45.2	177.8	-63.2	175.5	-170.8	0	0	112.4	A725 K729 V730 L731	A725-E727 VanDerWaalsContact C-N 3.29Å; A725-E727 PolarHBondContact O-N 3.32Å; E727-K729 VanDerWaalsContact C-N 3.31Å; E727-K729 PolarHBondContact O-N 3.06Å; E727-V730 PolarHBondContact O-N 3.37Å; E727-L731 WeakPolarHBondContact O-CG 3.39Å; E727-L731 PolarHBondContact O-N 3.5Å
728	E	90.9	Very high	91	Very high	66 Å²	66	32 Å²	32	31%	0.308	18%	0.175	S	C	.	.	H	α-helix	trans	-63.3	-39	176.8	-63.5	179.3	141.4	0	0	111.8	I724 A725 V730 L731 I732	I724-E728 WeakPolarHBondContact CB-OE2 3.32Å; I724-E728 PolarHBondContact N-OE2 3.25Å; A725-E728 HydrophobicContact CB-CG 4.19Å; A725-E728 PolarHBondContact N-OE2 3.3Å; A725-E728 VanDerWaalsContact N-OE2 3.1Å; A725-E728 PolarHBondContact O-N 2.71Å; E728-V730 VanDerWaalsContact C-N 3.33Å; E728-L731 PolarHBondContact O-N 2.54Å; E728-I732 WeakPolarHBondContact O-CG1 3.38Å; E728-I732 PolarHBondContact O-N 3.06Å
729	K	93.1	Very high	90.6	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-41.3	176.9	-74.1	-177.3	-176.7	-65.4	0	111.7	T599 F719 Y722 G723 A725 A726 E727 A733 N797 F801	T599-K729 HydrophobicContact CG2-CD 4.4Å; F719-K729 PolarHBondContact O-NZ 3.19Å; Y722-K729 WeakPolarHBondContact O-CA 3.34Å; G723-K729 VanDerWaalsContact O-CE 3.23Å; G723-K729 WeakPolarHBondContact O-CE 3.42Å; G723-K729 WeakPolarHBondContact O-CG 3.43Å; G723-K729 PolarHBondContact O-NZ 2.81Å; A725-K729 WeakPolarHBondContact O-CG 3.33Å; A725-K729 PolarHBondContact O-N 2.92Å; A726-K729 WeakPolarHBondContact O-CB 3.39Å; A726-K729 PolarHBondContact O-N 2.6Å; E727-K729 VanDerWaalsContact C-N 3.31Å; E727-K729 PolarHBondContact O-N 3.06Å; K729-A733 WeakPolarHBondContact O-CB 3.29Å; K729-A733 PolarHBondContact O-N 2.84Å; K729-A733 VanDerWaalsContact O-N 3.17Å; K729-N797 HydrophobicContact CB-CB 4.14Å; K729-F801 HydrophobicContact CB-CD2 4.09Å; K729-F801 HydrophobicContact CD-CD2 3.83Å; K729-F801 HydrophobicContact CD-CE2 3.42Å; K729-F801 VanDerWaalsContact CD-CE2 3.42Å; K729-F801 HydrophobicContact CD-CZ 4.1Å
730	V	91.5	Very high	90.5	Very high	25 Å²	25	31.7 Å²	31.7	15%	0.152	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-49.7	175.4	174.7	0	0	0	0	110.7	A726 E727 E728 I732 A733 E734 L798 F801	A726-V730 WeakPolarHBondContact O-CG2 3.49Å; A726-V730 PolarHBondContact O-N 2.89Å; E727-V730 PolarHBondContact O-N 3.37Å; E728-V730 VanDerWaalsContact C-N 3.33Å; V730-I732 PolarHBondContact O-N 3.28Å; V730-A733 CarbonylContact O-C 3.51Å; V730-A733 PolarHBondContact O-N 2.81Å; V730-A733 VanDerWaalsContact O-N 3.08Å; V730-E734 HydrophobicContact CG1-CG 4.18Å; V730-E734 WeakPolarHBondContact O-CG 3.45Å; V730-E734 PolarHBondContact O-N 2.71Å; V730-L798 HydrophobicContact CG1-CD2 4.21Å; V730-F801 HydrophobicContact CG2-CB 3.64Å
731	L	89.9	Confident	90.2	Very high	77 Å²	77	35.1 Å²	35.1	40%	0.403	19%	0.192	S	C	.	.	H	α-helix	trans	-59.1	-44.9	-178.4	-72.8	171.1	0	0	0	113.2	Y570 E727 E728 A733 G735	Y570-L731 HydrophobicContact CE1-CD1 4.28Å; E727-L731 WeakPolarHBondContact O-CG 3.39Å; E727-L731 PolarHBondContact O-N 3.5Å; E728-L731 PolarHBondContact O-N 2.54Å; L731-A733 VanDerWaalsContact C-N 3.3Å; L731-A733 PolarHBondContact O-N 2.71Å; L731-G735 PolarHBondContact O-N 3.43Å
732	I	90.6	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-41.9	176.5	-69.8	167.6	0	0	0	110	Q571 Y722 E728 V730 G735 I736	Q571-I732 HydrophobicContact CG-CD1 4.17Å; Q571-I732 HydrophobicContact CG-CG1 4.42Å; Q571-I732 HydrophobicContact CG-CG2 3.99Å; Y722-I732 HydrophobicContact CD1-CG2 4.31Å; E728-I732 WeakPolarHBondContact O-CG1 3.38Å; E728-I732 PolarHBondContact O-N 3.06Å; V730-I732 PolarHBondContact O-N 3.28Å; I732-G735 PolarHBondContact O-N 2.92Å; I732-I736 HydrophobicContact CG2-CD1 4Å; I732-I736 PolarHBondContact O-N 3.32Å
733	A	91.7	Very high	89.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-37.5	-178.3	0	0	0	0	0	113.3	K729 V730 L731 G735 I736 C737 S794 N797 L798	K729-A733 WeakPolarHBondContact O-CB 3.29Å; K729-A733 PolarHBondContact O-N 2.84Å; K729-A733 VanDerWaalsContact O-N 3.17Å; V730-A733 CarbonylContact O-C 3.51Å; V730-A733 PolarHBondContact O-N 2.81Å; V730-A733 VanDerWaalsContact O-N 3.08Å; L731-A733 VanDerWaalsContact C-N 3.3Å; L731-A733 PolarHBondContact O-N 2.71Å; A733-G735 VanDerWaalsContact C-N 3.33Å; A733-G735 PolarHBondContact O-N 2.81Å; A733-I736 PolarHBondContact O-N 3.33Å; A733-C737 WeakPolarHBondContact O-CB 3.4Å; A733-C737 PolarHBondContact O-N 3.01Å; A733-S794 WeakPolarHBondContact CB-O 3.05Å; A733-N797 HydrophobicContact CB-CB 4.15Å; A733-L798 HydrophobicContact CB-CD1 4.23Å; A733-L798 HydrophobicContact CB-CD2 3.88Å; A733-L798 HydrophobicContact CB-CG 3.66Å
734	E	88.7	Confident	89.5	Confident	93 Å²	93	42.8 Å²	42.8	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-47.2	171.4	-75.4	-177.9	161.1	0	0	110.4	V730 I736 T738 L798	V730-E734 HydrophobicContact CG1-CG 4.18Å; V730-E734 WeakPolarHBondContact O-CG 3.45Å; V730-E734 PolarHBondContact O-N 2.71Å; E734-I736 PolarHBondContact O-N 3.31Å; E734-T738 WeakPolarHBondContact O-CB 3.18Å; E734-T738 PolarHBondContact O-N 3.43Å; E734-T738 PolarHBondContact O-OG1 3.15Å; E734-L798 HydrophobicContact CG-CD2 4.12Å
735	G	86.2	Confident	89.3	Confident	15 Å²	15	48.7 Å²	48.7	16%	0.155	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-26.1	179	0	0	0	0	0	114.2	D564 L731 I732 A733	D564-G735 WeakPolarHBondContact CB-O 3.48Å; L731-G735 PolarHBondContact O-N 3.43Å; I732-G735 PolarHBondContact O-N 2.92Å; A733-G735 VanDerWaalsContact C-N 3.33Å; A733-G735 PolarHBondContact O-N 2.81Å
736	I	88.2	Confident	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-92.7	-47	179.4	-65.2	169.2	0	0	0	111.2	A567 Y722 I732 A733 E734 S794	A567-I736 HydrophobicContact CB-CG1 4Å; Y722-I736 HydrophobicContact CD1-CD1 4.29Å; Y722-I736 HydrophobicContact CE1-CD1 4.22Å; I732-I736 HydrophobicContact CG2-CD1 4Å; I732-I736 PolarHBondContact O-N 3.32Å; A733-I736 PolarHBondContact O-N 3.33Å; E734-I736 PolarHBondContact O-N 3.31Å; I736-S794 WeakPolarHBondContact CD1-OG 3.1Å
737	C	89.1	Confident	88.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-98	-8.3	-166.9	-71.1	0	0	0	0	114.7	A733 L740 I741 S794 L795 L798	A733-C737 WeakPolarHBondContact O-CB 3.4Å; A733-C737 PolarHBondContact O-N 3.01Å; C737-L740 CarbonylContact O-C 3.48Å; C737-L740 WeakPolarHBondContact O-CA 3.48Å; C737-L740 WeakPolarHBondContact O-CB 3.3Å; C737-L740 PolarHBondContact O-N 3.37Å; C737-I741 HydrophobicContact CB-CG1 4.27Å; C737-I741 WeakPolarHBondContact O-CG1 3.49Å; C737-I741 PolarHBondContact O-N 2.76Å; C737-S794 WeakPolarHBondContact SG-CB 3.41Å; C737-L795 HydrophobicContact CB-CD2 4.19Å; C737-L798 HydrophobicContact CB-CD1 4.01Å
738	T	87.4	Confident	88.2	Confident	43 Å²	43	42.8 Å²	42.8	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-51.4	-47.2	-179	-74.6	0	0	0	0	113.6	E734 L740 I741 R742	E734-T738 WeakPolarHBondContact O-CB 3.18Å; E734-T738 PolarHBondContact O-N 3.43Å; E734-T738 PolarHBondContact O-OG1 3.15Å; T738-L740 PolarHBondContact O-N 3.24Å; T738-I741 PolarHBondContact O-N 2.82Å; T738-R742 WeakPolarHBondContact O-CG 3.36Å; T738-R742 PolarHBondContact O-N 3.14Å
739	P	86.3	Confident	87.7	Confident	36 Å²	36	42 Å²	42	23%	0.234	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-46.2	176.2	-24	35	0	0	0	112.2	L560 R742 K743	L560-P739 VanDerWaalsContact CD1-C 3.46Å; L560-P739 HydrophobicContact CD1-CB 4.18Å; L560-P739 WeakPolarHBondContact CD1-O 3.38Å; P739-R742 PolarHBondContact O-N 3.47Å; P739-K743 PolarHBondContact O-N 2.81Å; P739-K743 VanDerWaalsContact O-N 3.08Å
740	L	89.2	Confident	86.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-48.2	177.9	179.1	57.6	0	0	0	111.7	I337 L561 C737 T738 R742 K743 L744 Y785 L795	I337-L740 HydrophobicContact CG1-CD2 4.29Å; I337-L740 HydrophobicContact CG2-CD2 4.26Å; L561-L740 HydrophobicContact CD2-CB 4.4Å; L561-L740 HydrophobicContact CD2-CD1 3.99Å; L561-L740 HydrophobicContact CD2-CD2 3.95Å; L561-L740 HydrophobicContact CD2-CG 4.34Å; C737-L740 CarbonylContact O-C 3.48Å; C737-L740 WeakPolarHBondContact O-CA 3.48Å; C737-L740 WeakPolarHBondContact O-CB 3.3Å; C737-L740 PolarHBondContact O-N 3.37Å; T738-L740 PolarHBondContact O-N 3.24Å; L740-R742 PolarHBondContact O-N 3.16Å; L740-K743 WeakPolarHBondContact O-CB 3.2Å; L740-K743 PolarHBondContact O-N 3.07Å; L740-K743 VanDerWaalsContact O-N 3.1Å; L740-L744 HydrophobicContact CD1-CD1 4.48Å; L740-L744 HydrophobicContact CD1-CG 4.23Å; L740-L744 HydrophobicContact CG-CD1 4.19Å; L740-L744 HydrophobicContact CG-CG 4.4Å; L740-L744 WeakPolarHBondContact O-CG 3.45Å; L740-L744 PolarHBondContact O-N 2.84Å; L740-Y785 HydrophobicContact CD1-CD1 3.75Å; L740-Y785 HydrophobicContact CD1-CD2 4.48Å; L740-Y785 HydrophobicContact CD1-CE1 4.22Å; L740-Y785 HydrophobicContact CD1-CG 3.9Å; L740-L795 HydrophobicContact CD2-CD1 3.98Å
741	I	88.5	Confident	85.7	Confident	71 Å²	71	44.9 Å²	44.9	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-43.9	178.3	-65.6	-59.1	0	0	0	111.1	C737 T738 K743 L744 R745 L795 L798	C737-I741 HydrophobicContact CB-CG1 4.27Å; C737-I741 WeakPolarHBondContact O-CG1 3.49Å; C737-I741 PolarHBondContact O-N 2.76Å; T738-I741 PolarHBondContact O-N 2.82Å; I741-K743 VanDerWaalsContact C-N 3.25Å; I741-K743 PolarHBondContact O-N 2.73Å; I741-L744 HydrophobicContact CD1-CD1 4.12Å; I741-L744 PolarHBondContact O-N 2.83Å; I741-R745 WeakPolarHBondContact O-CB 3.49Å; I741-R745 PolarHBondContact O-N 2.79Å; I741-L795 HydrophobicContact CD1-CD2 3.56Å; I741-L795 HydrophobicContact CG1-CD2 4.41Å; I741-L798 HydrophobicContact CG1-CD1 4.33Å
742	R	87	Confident	84.6	Confident	154 Å²	154	45.3 Å²	45.3	58%	0.581	22%	0.224	S	C	*	.	H	α-helix	trans	-58.2	-40.1	175.3	-73.2	176.2	-170.7	142.4	1.1	111.6	T738 P739 L740 S746	T738-R742 WeakPolarHBondContact O-CG 3.36Å; T738-R742 PolarHBondContact O-N 3.14Å; P739-R742 PolarHBondContact O-N 3.47Å; L740-R742 PolarHBondContact O-N 3.16Å; R742-S746 WeakPolarHBondContact O-CB 3.49Å; R742-S746 PolarHBondContact O-N 2.62Å
743	K	86.9	Confident	83.3	Confident	51 Å²	51	51.5 Å²	51.5	22%	0.222	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-45.4	176.6	-174.8	73.9	-167.5	93.6	0	112.2	L560 P739 L740 I741 R745 S746 D747 Y785	L560-K743 HydrophobicContact CD1-CB 3.53Å; L560-K743 HydrophobicContact CD1-CG 4.13Å; L560-K743 HydrophobicContact CD2-CB 4.41Å; L560-K743 HydrophobicContact CD2-CG 4.15Å; P739-K743 PolarHBondContact O-N 2.81Å; P739-K743 VanDerWaalsContact O-N 3.08Å; L740-K743 WeakPolarHBondContact O-CB 3.2Å; L740-K743 PolarHBondContact O-N 3.07Å; L740-K743 VanDerWaalsContact O-N 3.1Å; I741-K743 VanDerWaalsContact C-N 3.25Å; I741-K743 PolarHBondContact O-N 2.73Å; K743-R745 VanDerWaalsContact C-N 3.31Å; K743-R745 PolarHBondContact O-N 3.2Å; K743-S746 WeakPolarHBondContact O-CB 3.39Å; K743-S746 PolarHBondContact O-N 3.48Å; K743-S746 VanDerWaalsContact O-N 3.15Å; K743-D747 VanDerWaalsContact CE-OD2 3.3Å; K743-D747 WeakPolarHBondContact CE-OD2 3.46Å; K743-D747 IonicContact NZ-OD1 3.01Å; K743-D747 PolarHBondContact NZ-OD1 3.22Å; K743-D747 IonicContact NZ-OD2 2.86Å; K743-D747 PolarHBondContact NZ-OD2 3.44Å; K743-D747 PolarHBondContact O-N 3.42Å; K743-Y785 HydrophobicContact CG-CE1 3.97Å
744	L	88.8	Confident	81.5	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-46.7	175.6	-66.8	173.6	0	0	0	110.6	L335 I337 L740 I741 S746 D747 L748 Y785	L335-L744 HydrophobicContact CB-CD2 4.06Å; L335-L744 HydrophobicContact CD1-CB 4.21Å; L335-L744 HydrophobicContact CD1-CD2 3.86Å; L335-L744 HydrophobicContact CG-CD2 4.47Å; I337-L744 HydrophobicContact CD1-CD1 4Å; I337-L744 HydrophobicContact CD1-CD2 4.22Å; I337-L744 HydrophobicContact CG1-CD1 4.45Å; L740-L744 HydrophobicContact CD1-CD1 4.48Å; L740-L744 HydrophobicContact CD1-CG 4.23Å; L740-L744 HydrophobicContact CG-CD1 4.19Å; L740-L744 HydrophobicContact CG-CG 4.4Å; L740-L744 WeakPolarHBondContact O-CG 3.45Å; L740-L744 PolarHBondContact O-N 2.84Å; I741-L744 HydrophobicContact CD1-CD1 4.12Å; I741-L744 PolarHBondContact O-N 2.83Å; L744-S746 VanDerWaalsContact C-N 3.35Å; L744-S746 PolarHBondContact O-N 3.1Å; L744-D747 PolarHBondContact O-N 3.06Å; L744-L748 WeakPolarHBondContact O-CG 3.46Å; L744-L748 PolarHBondContact O-N 2.97Å; L744-Y785 HydrophobicContact CD2-CD2 3.83Å; L744-Y785 HydrophobicContact CD2-CE2 3.32Å
745	R	87.1	Confident	79.6	Confident	138 Å²	138	54.2 Å²	54.2	52%	0.521	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-43.6	175.4	-170.9	178.9	69.2	175.4	3.4	112	I741 K743 L748 S749	I741-R745 WeakPolarHBondContact O-CB 3.49Å; I741-R745 PolarHBondContact O-N 2.79Å; K743-R745 VanDerWaalsContact C-N 3.31Å; K743-R745 PolarHBondContact O-N 3.2Å; R745-L748 PolarHBondContact O-N 3.43Å; R745-S749 WeakPolarHBondContact O-CB 3.5Å; R745-S749 PolarHBondContact O-N 3.2Å; R745-S749 PolarHBondContact O-OG 3.44Å
746	S	84.1	Confident	77.5	Confident	61 Å²	61	56.7 Å²	56.7	43%	0.427	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-42.6	175.5	174.4	0	0	0	0	112.1	R742 K743 L744 R750	R742-S746 WeakPolarHBondContact O-CB 3.49Å; R742-S746 PolarHBondContact O-N 2.62Å; K743-S746 WeakPolarHBondContact O-CB 3.39Å; K743-S746 PolarHBondContact O-N 3.48Å; K743-S746 VanDerWaalsContact O-N 3.15Å; L744-S746 VanDerWaalsContact C-N 3.35Å; L744-S746 PolarHBondContact O-N 3.1Å; S746-R750 WeakPolarHBondContact O-CB 3.47Å; S746-R750 PolarHBondContact O-N 2.72Å
747	D	84.4	Confident	75.4	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.043	35%	0.346	C	S	.	.	H	α-helix	trans	-68.8	-36	178	-74.9	-56.1	0	0	0	112.6	L335 K743 L744 C751 R783 Y785	L335-D747 HydrophobicContact CD2-CB 4.02Å; K743-D747 VanDerWaalsContact CE-OD2 3.3Å; K743-D747 WeakPolarHBondContact CE-OD2 3.46Å; K743-D747 IonicContact NZ-OD1 3.01Å; K743-D747 PolarHBondContact NZ-OD1 3.22Å; K743-D747 IonicContact NZ-OD2 2.86Å; K743-D747 PolarHBondContact NZ-OD2 3.44Å; K743-D747 PolarHBondContact O-N 3.42Å; L744-D747 PolarHBondContact O-N 3.06Å; D747-C751 PolarHBondContact O-SG 2.97Å; D747-R783 HydrophobicContact CB-CG 4.06Å; D747-R783 IonicContact OD1-NE 2.76Å; D747-R783 PolarHBondContact OD1-NE 3.34Å; D747-Y785 PolarHBondContact OD2-OH 2.87Å
748	L	83.2	Confident	73.3	Confident	44 Å²	44	70.6 Å²	70.6	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-66.2	-50	171.4	-70.4	177.6	0	0	0	112	C333 L335 L744 R745 R750 C751 I752 L836	C333-L748 HydrophobicContact CB-CD2 4.48Å; L335-L748 HydrophobicContact CD1-CD1 4.21Å; L335-L748 HydrophobicContact CD1-CD2 3.54Å; L335-L748 HydrophobicContact CD1-CG 3.55Å; L335-L748 HydrophobicContact CG-CD2 4.18Å; L744-L748 WeakPolarHBondContact O-CG 3.46Å; L744-L748 PolarHBondContact O-N 2.97Å; R745-L748 PolarHBondContact O-N 3.43Å; L748-R750 VanDerWaalsContact C-N 3.26Å; L748-R750 PolarHBondContact O-N 3.37Å; L748-C751 WeakPolarHBondContact O-CA 3.49Å; L748-C751 WeakPolarHBondContact O-CB 3.32Å; L748-C751 PolarHBondContact O-N 2.86Å; L748-I752 PolarHBondContact O-N 3.12Å; L748-L836 HydrophobicContact CD2-CB 4.48Å; L748-L836 HydrophobicContact CD2-CD2 4.5Å
749	S	80	Confident	71.2	Confident	48 Å²	48	77.5 Å²	77.5	34%	0.336	40%	0.398	S	S	.	.	H	α-helix	trans	-58	-41.4	-178.3	-54.1	0	0	0	0	111	R745 C751 I752 D753	R745-S749 WeakPolarHBondContact O-CB 3.5Å; R745-S749 PolarHBondContact O-N 3.2Å; R745-S749 PolarHBondContact O-OG 3.44Å; S749-C751 PolarHBondContact O-N 2.86Å; S749-I752 WeakPolarHBondContact O-CA 3.43Å; S749-I752 WeakPolarHBondContact O-CB 3.45Å; S749-I752 PolarHBondContact O-N 3.3Å; S749-D753 PolarHBondContact O-N 3.46Å
750	R	73	Confident	69.3	Low	76 Å²	76	81.9 Å²	81.9	29%	0.287	42%	0.42	S	S	.	.	H	α-helix	trans	-61.2	-21.4	177.1	-155.4	176	168.4	124	-0.6	112.9	S746 L748 E758 R781	S746-R750 WeakPolarHBondContact O-CB 3.47Å; S746-R750 PolarHBondContact O-N 2.72Å; L748-R750 VanDerWaalsContact C-N 3.26Å; L748-R750 PolarHBondContact O-N 3.37Å; R750-E758 IonicContact CZ-OE2 2.82Å; R750-E758 IonicContact NH1-OE2 3.72Å; R750-E758 PolarHBondContact NH1-OE2 3.49Å; R750-E758 IonicContact NH2-OE2 3.5Å; R750-E758 PolarHBondContact NH2-OE2 2.93Å; R750-R781 VanDerWaalsContact CG-NH1 3.34Å; R750-R781 PolarHBondContact O-NH1 3.46Å; R750-R781 PolarHBondContact O-NH2 2.84Å
751	C	69.7	Low	67.3	Low	16 Å²	16	83.4 Å²	83.4	11%	0.108	43%	0.432	C	S	.	.	H	α-helix	trans	-78.7	-28.1	174.8	-57.7	0	0	0	0	112.4	C333 D747 L748 S749 L836	C333-C751 HydrophobicContact CB-CB 4.4Å; C333-C751 VanDerWaalsContact CB-SG 3.57Å; D747-C751 PolarHBondContact O-SG 2.97Å; L748-C751 WeakPolarHBondContact O-CA 3.49Å; L748-C751 WeakPolarHBondContact O-CB 3.32Å; L748-C751 PolarHBondContact O-N 2.86Å; S749-C751 PolarHBondContact O-N 2.86Å; C751-L836 HydrophobicContact CB-CD2 4.02Å
752	I	67	Low	65.5	Low	87 Å²	87	81 Å²	81	45%	0.446	42%	0.421	S	S	.	.	H	α-helix	trans	-84.6	-45.7	-179.1	-58.4	171.8	0	0	0	110.5	L748 S749 G754 F850	L748-I752 PolarHBondContact O-N 3.12Å; S749-I752 WeakPolarHBondContact O-CA 3.43Å; S749-I752 WeakPolarHBondContact O-CB 3.45Å; S749-I752 PolarHBondContact O-N 3.3Å; I752-G754 PolarHBondContact O-N 2.97Å; I752-F850 HydrophobicContact CG1-CZ 4.37Å; I752-F850 HydrophobicContact CG2-CE2 4.34Å; I752-F850 HydrophobicContact CG2-CZ 4.42Å
753	D	62.6	Low	63.6	Low	129 Å²	129	76.5 Å²	76.5	69%	0.69	40%	0.404	S	S	*	.	S	Bend	trans	-65	-6.6	-169.6	-67.4	-29.3	0	0	0	115.1	S749	S749-D753 PolarHBondContact O-N 3.46Å
754	G	54.7	Low	61.6	Low	48 Å²	48	74.7 Å²	74.7	50%	0.495	40%	0.397	S	S	.	.			trans	64.4	101.1	176.4	0	0	0	0	0	112.6	I752 A756	I752-G754 PolarHBondContact O-N 2.97Å; G754-A756 PolarHBondContact O-N 3.4Å; G754-A756 VanDerWaalsContact O-N 3.13Å
755	I	48.3	Very low	59.6	Low	103 Å²	103	77.6 Å²	77.6	53%	0.528	41%	0.412	S	S	.	.			trans	42.4	60.4	158.6	-35.3	167.9	0	0	0	114.4	E757 R763	I755-E757 PolarHBondContact O-N 3.25Å; I755-R763 VanDerWaalsContact CG2-NH1 3.25Å
756	A	41.6	Very low	57.7	Low	66 Å²	66	72 Å²	72	55%	0.545	39%	0.393	S	S	.	.			trans	-56.3	120	154	0	0	0	0	0	106.7	G754 E758	G754-A756 PolarHBondContact O-N 3.4Å; G754-A756 VanDerWaalsContact O-N 3.13Å; A756-E758 PolarHBondContact O-N 2.91Å
757	E	44.6	Very low	56	Low	190 Å²	190	73.7 Å²	73.7	89%	0.888	41%	0.405	S	S	*	.			trans	-58.7	18.5	-175.5	-66.1	177.5	135.4	0	0	114.8	I755 E759	I755-E757 PolarHBondContact O-N 3.25Å; E757-E759 PolarHBondContact O-N 3.4Å
758	E	44.8	Very low	54	Low	102 Å²	102	79.1 Å²	79.1	48%	0.477	43%	0.428	S	S	.	.			trans	-65.4	125.7	-177.3	-74.7	-174.7	167.3	0	0	112.1	R750 A756 N760 A761	R750-E758 IonicContact CZ-OE2 2.82Å; R750-E758 IonicContact NH1-OE2 3.72Å; R750-E758 PolarHBondContact NH1-OE2 3.49Å; R750-E758 IonicContact NH2-OE2 3.5Å; R750-E758 PolarHBondContact NH2-OE2 2.93Å; A756-E758 PolarHBondContact O-N 2.91Å; E758-N760 PolarHBondContact O-N 2.93Å; E758-A761 PolarHBondContact O-N 2.89Å; E758-A761 VanDerWaalsContact O-N 3.09Å
759	E	43.8	Very low	52.4	Low	189 Å²	189	77.9 Å²	77.9	88%	0.883	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-15.3	175.7	-64	-178.8	137.4	0	0	115.2	E757	E757-E759 PolarHBondContact O-N 3.4Å
760	N	46	Very low	50.8	Low	128 Å²	128	76.9 Å²	76.9	68%	0.684	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	1.3	-178.5	-72.1	-34.2	0	0	0	114.6	E758	E758-N760 PolarHBondContact O-N 2.93Å
761	A	47.9	Very low	49.7	Very low	31 Å²	31	82 Å²	82	26%	0.256	44%	0.442	S	S	.	.			trans	-70	133.5	168.9	0	0	0	0	0	110.1	S239 E758 R763	S239-A761 WeakPolarHBondContact CB-O 3.44Å; S239-A761 PolarHBondContact OG-O 2.99Å; E758-A761 PolarHBondContact O-N 2.89Å; E758-A761 VanDerWaalsContact O-N 3.09Å; A761-R763 HydrophobicContact CB-CB 4.16Å; A761-R763 PolarHBondContact O-N 3.48Å
762	T	49.6	Very low	48.6	Very low	22 Å²	22	83.6 Å²	83.6	14%	0.135	45%	0.45	C	S	.	.	S	Bend	trans	-74.8	23.5	172.5	55.1	0	0	0	0	113.1	S239 Y512 D515	S239-T762 WeakPolarHBondContact OG-CA 3.02Å; S239-T762 PolarHBondContact OG-O 2.85Å; Y512-T762 VanDerWaalsContact CD1-O 3.28Å; Y512-T762 WeakPolarHBondContact CD1-O 3.25Å; D515-T762 WeakPolarHBondContact CA-OG1 3.46Å; D515-T762 VanDerWaalsContact CB-OG1 3.26Å; D515-T762 WeakPolarHBondContact CB-OG1 3.33Å; D515-T762 PolarHBondContact OD1-OG1 3.17Å
763	R	48	Very low	47.9	Very low	59 Å²	59	80.6 Å²	80.6	22%	0.223	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-99.7	140.2	-175.3	178.3	173.1	-177.2	-154.7	14.7	112.5	S239 I755 A761 P766	S239-R763 PolarHBondContact OG-N 3.48Å; S239-R763 PolarHBondContact OG-O 2.88Å; I755-R763 VanDerWaalsContact CG2-NH1 3.25Å; A761-R763 HydrophobicContact CB-CB 4.16Å; A761-R763 PolarHBondContact O-N 3.48Å; R763-P766 VanDerWaalsContact NH2-CD 3.33Å
764	L	44	Very low	47.4	Very low	13 Å²	13	77.5 Å²	77.5	7%	0.068	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-87.1	137.7	156.9	-117.5	162.3	0	0	0	108.6	L243 Y512 K768	L243-L764 HydrophobicContact CD2-CD1 4.3Å; L243-L764 HydrophobicContact CD2-CD2 3.41Å; L243-L764 VanDerWaalsContact CD2-CD2 3.41Å; L243-L764 HydrophobicContact CD2-CG 3.65Å; L243-L764 HydrophobicContact CG-CG 4.38Å; Y512-L764 HydrophobicContact CD1-CB 4.14Å; Y512-L764 HydrophobicContact CD1-CD1 4.33Å; Y512-L764 HydrophobicContact CD1-CG 4.29Å; Y512-L764 HydrophobicContact CD2-CB 4.39Å; Y512-L764 HydrophobicContact CD2-CD1 3.64Å; Y512-L764 HydrophobicContact CD2-CG 4.4Å; Y512-L764 HydrophobicContact CE1-CB 4.38Å; Y512-L764 HydrophobicContact CE1-CD1 3.98Å; Y512-L764 HydrophobicContact CE1-CG 4.02Å; Y512-L764 HydrophobicContact CE2-CD1 3.34Å; Y512-L764 HydrophobicContact CE2-CG 4.27Å; Y512-L764 HydrophobicContact CG-CB 4.06Å; Y512-L764 HydrophobicContact CG-CD1 4.11Å; Y512-L764 HydrophobicContact CG-CG 4.39Å; Y512-L764 VanDerWaalsContact CZ-CD1 3.4Å; Y512-L764 WeakPolarHBondContact OH-CD1 3.33Å; L764-K768 HydrophobicContact CD2-CB 4.01Å
765	D	47	Very low	47.4	Very low	72 Å²	72	77.4 Å²	77.4	39%	0.385	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-52.6	123.2	170.6	178.3	-8.8	0	0	0	109.8	S767 K768 A769	D765-S767 PolarHBondContact O-N 2.96Å; D765-S767 WeakPolarHBondContact OD1-CB 3.42Å; D765-S767 PolarHBondContact OD1-N 3.31Å; D765-S767 PolarHBondContact OD1-OG 3.36Å; D765-S767 PolarHBondContact OD2-OG 3.03Å; D765-K768 HydrophobicContact CB-CB 4.29Å; D765-K768 HydrophobicContact CB-CD 4.14Å; D765-K768 HydrophobicContact CB-CG 4.07Å; D765-K768 CarbonylContact O-C 3.51Å; D765-K768 WeakPolarHBondContact O-CA 3.31Å; D765-K768 WeakPolarHBondContact O-CB 3.43Å; D765-K768 PolarHBondContact O-N 2.98Å; D765-A769 PolarHBondContact O-N 3.25Å
766	P	48.4	Very low	47.7	Very low	19 Å²	19	75.3 Å²	75.3	12%	0.123	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.1	179.7	-23.7	32.1	0	0	0	113.8	R763 K768 A769 P776 L777	R763-P766 VanDerWaalsContact NH2-CD 3.33Å; P766-K768 PolarHBondContact O-N 3.45Å; P766-A769 WeakPolarHBondContact O-CB 3.43Å; P766-A769 PolarHBondContact O-N 3.22Å; P766-A769 VanDerWaalsContact O-N 3.16Å; P766-P776 HydrophobicContact CB-CB 4.45Å; P766-P776 WeakPolarHBondContact CB-O 3.22Å; P766-L777 HydrophobicContact CB-CD2 3.72Å; P766-L777 HydrophobicContact CG-CD2 3.89Å
767	S	47	Very low	48.5	Very low	97 Å²	97	78.6 Å²	78.6	68%	0.678	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.2	175.4	75	0	0	0	0	111.7	D765	D765-S767 PolarHBondContact O-N 2.96Å; D765-S767 WeakPolarHBondContact OD1-CB 3.42Å; D765-S767 PolarHBondContact OD1-N 3.31Å; D765-S767 PolarHBondContact OD1-OG 3.36Å; D765-S767 PolarHBondContact OD2-OG 3.03Å
768	K	43.8	Very low	49.3	Very low	122 Å²	122	70.4 Å²	70.4	53%	0.53	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-15.6	175.9	-59.1	-176	-174.3	175.6	0	112.7	R246 L764 D765 P766	R246-K768 VanDerWaalsContact CZ-O 3.29Å; R246-K768 PolarHBondContact NH2-O 2.94Å; L764-K768 HydrophobicContact CD2-CB 4.01Å; D765-K768 HydrophobicContact CB-CB 4.29Å; D765-K768 HydrophobicContact CB-CD 4.14Å; D765-K768 HydrophobicContact CB-CG 4.07Å; D765-K768 CarbonylContact O-C 3.51Å; D765-K768 WeakPolarHBondContact O-CA 3.31Å; D765-K768 WeakPolarHBondContact O-CB 3.43Å; D765-K768 PolarHBondContact O-N 2.98Å; P766-K768 PolarHBondContact O-N 3.45Å
769	A	48.9	Very low	50.2	Low	19 Å²	19	66.9 Å²	66.9	16%	0.157	36%	0.361	C	S	.	.	S	Bend	trans	-67	146.1	173.6	0	0	0	0	0	109.5	D765 P766 I773	D765-A769 PolarHBondContact O-N 3.25Å; P766-A769 WeakPolarHBondContact O-CB 3.43Å; P766-A769 PolarHBondContact O-N 3.22Å; P766-A769 VanDerWaalsContact O-N 3.16Å; A769-I773 HydrophobicContact CB-CD1 3.6Å
770	S	46.5	Very low	51.6	Low	27 Å²	27	57.9 Å²	57.9	19%	0.189	32%	0.319	C	S	.	.			trans	-61.6	155.9	-175.5	79.1	0	0	0	0	112	D206 D772 I773	D206-S770 WeakPolarHBondContact OD2-CB 3.42Å; S770-D772 VanDerWaalsContact CB-OD2 3.28Å; S770-D772 WeakPolarHBondContact CB-OD2 3.21Å; S770-D772 PolarHBondContact O-N 3.48Å; S770-D772 WeakPolarHBondContact OG-CB 3.39Å; S770-D772 PolarHBondContact OG-N 3.22Å; S770-D772 PolarHBondContact OG-OD2 3.4Å; S770-I773 PolarHBondContact O-N 3.32Å
771	K	48.7	Very low	53.1	Low	182 Å²	182	53.6 Å²	53.6	79%	0.791	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	9.3	170.4	-61.9	-175.7	-178.3	-177.9	0	113.5	R299 R311	R299-K771 PolarHBondContact NH2-O 3.31Å; R311-K771 PolarHBondContact NH2-O 2.82Å
772	D	48.2	Very low	54.7	Low	51 Å²	51	52.2 Å²	52.2	27%	0.273	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-15.9	-179.3	-61.8	-69	0	0	0	114	R299 R311 Q314 S770	R299-D772 VanDerWaalsContact CD-OD1 3.25Å; R299-D772 WeakPolarHBondContact CD-OD1 3.34Å; R299-D772 IonicContact CZ-OD1 3.33Å; R299-D772 IonicContact NE-OD1 3.5Å; R299-D772 PolarHBondContact NE-OD1 3.09Å; R299-D772 IonicContact NH1-OD1 3.71Å; R299-D772 PolarHBondContact NH1-OD1 3.39Å; R299-D772 IonicContact NH1-OD2 3.31Å; R299-D772 PolarHBondContact NH1-OD2 3.3Å; R311-D772 VanDerWaalsContact NH1-C 3.28Å; R311-D772 PolarHBondContact NH1-O 2.91Å; Q314-D772 PolarHBondContact OE1-O 3.27Å; S770-D772 VanDerWaalsContact CB-OD2 3.28Å; S770-D772 WeakPolarHBondContact CB-OD2 3.21Å; S770-D772 PolarHBondContact O-N 3.48Å; S770-D772 WeakPolarHBondContact OG-CB 3.39Å; S770-D772 PolarHBondContact OG-N 3.22Å; S770-D772 PolarHBondContact OG-OD2 3.4Å
773	I	51.9	Low	56.5	Low	24 Å²	24	51.3 Å²	51.3	12%	0.123	28%	0.276	C	S	.	.			trans	-86.2	126.4	-175.1	-54.1	169.7	0	0	0	109.1	R513 A769 S770 T775 P776	R513-I773 HydrophobicContact CG-CD1 4.46Å; A769-I773 HydrophobicContact CB-CD1 3.6Å; S770-I773 PolarHBondContact O-N 3.32Å; I773-T775 VanDerWaalsContact C-N 3.35Å; I773-P776 HydrophobicContact CB-CB 4.25Å; I773-P776 HydrophobicContact CG2-CB 4.38Å; I773-P776 WeakPolarHBondContact O-CD 3.35Å
774	A	51.6	Low	58.5	Low	63 Å²	63	48.5 Å²	48.5	52%	0.521	27%	0.266	S	S	.	.	S	Bend	trans	-68.1	-36.9	-179.4	0	0	0	0	0	111.9	D317 P776	D317-A774 VanDerWaalsContact OD2-CB 3.26Å; D317-A774 WeakPolarHBondContact OD2-CB 3.41Å; A774-P776 WeakPolarHBondContact O-CD 3.48Å
775	T	54.2	Low	60.8	Low	47 Å²	47	47.9 Å²	47.9	29%	0.288	26%	0.262	S	S	.	.	S	Bend	trans	-122.4	71.9	176.9	60.6	0	0	0	0	111.2	I773 L777 R778	I773-T775 VanDerWaalsContact C-N 3.35Å; T775-L777 PolarHBondContact O-N 2.87Å; T775-R778 PolarHBondContact O-N 3.43Å; T775-R778 VanDerWaalsContact O-N 3.08Å
776	P	54.3	Low	62.9	Low	58 Å²	58	44.5 Å²	44.5	38%	0.377	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.5	-172.1	26.1	-33.4	0	0	0	113	P766 I773 A774	P766-P776 HydrophobicContact CB-CB 4.45Å; P766-P776 WeakPolarHBondContact CB-O 3.22Å; I773-P776 HydrophobicContact CB-CB 4.25Å; I773-P776 HydrophobicContact CG2-CB 4.38Å; I773-P776 WeakPolarHBondContact O-CD 3.35Å; A774-P776 WeakPolarHBondContact O-CD 3.48Å
777	L	58.5	Low	65	Low	136 Å²	136	43.6 Å²	43.6	71%	0.712	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.3	178.5	-60.1	177.3	0	0	0	113.1	P766 T775	P766-L777 HydrophobicContact CB-CD2 3.72Å; P766-L777 HydrophobicContact CG-CD2 3.89Å; T775-L777 PolarHBondContact O-N 2.87Å
778	R	62.1	Low	67	Low	17 Å²	17	40.4 Å²	40.4	6%	0.064	22%	0.216	C	C	.	.			trans	-77.3	132.1	-177	-175.4	176	177.6	-175.4	-5.7	110.5	P318 P319 T775	P318-R778 VanDerWaalsContact O-CZ 3.24Å; P318-R778 PolarHBondContact O-NH1 3.45Å; P319-R778 PolarHBondContact O-NH1 3.36Å; P319-R778 PolarHBondContact O-NH2 3.1Å; T775-R778 PolarHBondContact O-N 3.43Å; T775-R778 VanDerWaalsContact O-N 3.08Å
779	H	63.4	Low	69.2	Low	28 Å²	28	36.7 Å²	36.7	13%	0.13	20%	0.2	C	C	.	.			trans	-147.2	129.5	-177.9	178	-82.4	0	0	0	111	D515 R781	D515-H779 WeakPolarHBondContact CB-CE1 3.12Å; D515-H779 WeakPolarHBondContact CB-NE2 3.24Å; H779-R781 VanDerWaalsContact CE1-CG 3.43Å; H779-R781 WeakPolarHBondContact CE1-CG 3.37Å
780	V	72.6	Confident	71.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132	175.6	-171.7	0	0	0	0	109.8	P318 L331 R332 V334 Y492 D515	P318-V780 HydrophobicContact CB-CG2 4.24Å; P318-V780 HydrophobicContact CG-CG2 4.11Å; L331-V780 HydrophobicContact CD2-CG1 3.87Å; L331-V780 HydrophobicContact CD2-CG2 4.47Å; L331-V780 HydrophobicContact CG-CG1 4.17Å; L331-V780 WeakPolarHBondContact O-CG2 2.97Å; R332-V780 WeakPolarHBondContact O-CA 3.42Å; V334-V780 HydrophobicContact CG2-CG1 4.34Å; Y492-V780 HydrophobicContact CE1-CG2 4.21Å; Y492-V780 WeakPolarHBondContact OH-CG1 3.28Å; D515-V780 PolarHBondContact N-O 3.35Å; D515-V780 VanDerWaalsContact N-O 3.11Å
781	R	78.6	Confident	73.2	Confident	39 Å²	39	35 Å²	35	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.6	171.1	-71.4	174.2	-177.6	179.2	9.4	110	R332 C333 V334 D515 R750 H779	R332-R781 PolarHBondContact O-N 3.45Å; C333-R781 CarbonylContact C-O 3.57Å; C333-R781 WeakPolarHBondContact CA-O 3.38Å; V334-R781 PolarHBondContact N-O 2.95Å; D515-R781 HydrophobicContact CB-CG 4.17Å; D515-R781 WeakPolarHBondContact O-CA 3.3Å; R750-R781 VanDerWaalsContact CG-NH1 3.34Å; R750-R781 PolarHBondContact O-NH1 3.46Å; R750-R781 PolarHBondContact O-NH2 2.84Å; H779-R781 VanDerWaalsContact CE1-CG 3.43Å; H779-R781 WeakPolarHBondContact CE1-CG 3.37Å
782	T	80.5	Confident	75.4	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.4	171.6	-58	0	0	0	0	110.2	V334 H514 D515 L516 K517 L784	V334-T782 HydrophobicContact CB-CG2 4.32Å; V334-T782 HydrophobicContact CG1-CG2 4.29Å; V334-T782 CarbonylContact O-C 3.54Å; V334-T782 VanDerWaalsContact O-CA 3.25Å; V334-T782 WeakPolarHBondContact O-CA 3.36Å; H514-T782 PolarHBondContact CE1-OG1 3.35Å; H514-T782 VanDerWaalsContact NE2-CB 3.31Å; H514-T782 WeakPolarHBondContact NE2-CB 3.28Å; H514-T782 PolarHBondContact NE2-OG1 3.42Å; D515-T782 PolarHBondContact O-N 3.29Å; L516-T782 WeakPolarHBondContact CA-O 3.38Å; L516-T782 HydrophobicContact CD1-CG2 3.61Å; K517-T782 PolarHBondContact N-O 2.93Å; T782-L784 HydrophobicContact CG2-CD2 3.5Å; T782-L784 VanDerWaalsContact CG2-CD2 3.5Å; T782-L784 HydrophobicContact CG2-CG 3.89Å
783	R	87.2	Confident	77.5	Confident	4 Å²	4	24 Å²	24	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119	171.7	-52.6	-67.7	177.5	-108.9	3.8	109.5	V334 L335 A336 D515 K517 D747 Y785	V334-R783 PolarHBondContact O-N 3.18Å; L335-R783 CarbonylContact C-O 3.44Å; L335-R783 WeakPolarHBondContact CA-O 3.25Å; L335-R783 HydrophobicContact CD2-CB 3.5Å; L335-R783 VanDerWaalsContact CD2-CB 3.5Å; L335-R783 HydrophobicContact CD2-CG 3.52Å; A336-R783 PolarHBondContact N-O 3.32Å; D515-R783 PolarHBondContact O-NH1 3Å; D515-R783 IonicContact OD1-NH1 2.65Å; D515-R783 IonicContact OD1-NH2 3.43Å; D515-R783 IonicContact OD2-CZ 2.68Å; D515-R783 IonicContact OD2-NH1 3.01Å; D515-R783 PolarHBondContact OD2-NH1 3.44Å; D515-R783 IonicContact OD2-NH2 3.67Å; D515-R783 PolarHBondContact OD2-NH2 2.89Å; K517-R783 WeakPolarHBondContact O-CA 3.22Å; D747-R783 HydrophobicContact CB-CG 4.06Å; D747-R783 IonicContact OD1-NE 2.76Å; D747-R783 PolarHBondContact OD1-NE 3.34Å; R783-Y785 HydrophobicContact CB-CE2 3.56Å; R783-Y785 WeakPolarHBondContact CB-OH 3.27Å
784	L	90.2	Very high	79.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.4	179.7	-50.2	-176.2	0	0	0	109.1	A336 F487 L516 K517 M518 Y519 F533 L537 T782 F786	A336-L784 HydrophobicContact CB-CD2 3.89Å; A336-L784 CarbonylContact O-C 3.5Å; A336-L784 WeakPolarHBondContact O-CA 3.39Å; F487-L784 HydrophobicContact CD1-CD2 4.21Å; F487-L784 HydrophobicContact CE1-CD2 3.4Å; F487-L784 VanDerWaalsContact CE1-CD2 3.4Å; F487-L784 HydrophobicContact CZ-CD2 4.06Å; L516-L784 HydrophobicContact CD1-CD1 4.19Å; L516-L784 HydrophobicContact CD1-CG 4.29Å; K517-L784 PolarHBondContact O-N 3.16Å; M518-L784 CarbonylContact C-O 3.52Å; M518-L784 WeakPolarHBondContact CA-O 3.48Å; M518-L784 HydrophobicContact CB-CB 4.48Å; M518-L784 HydrophobicContact CE-CD1 3.59Å; M518-L784 HydrophobicContact CG-CB 4.14Å; M518-L784 HydrophobicContact CG-CD1 4.04Å; M518-L784 HydrophobicContact CG-CG 4.34Å; M518-L784 HydrophobicContact SD-CD1 4.01Å; Y519-L784 PolarHBondContact N-O 3.23Å; F533-L784 HydrophobicContact CD1-CD1 3.9Å; F533-L784 HydrophobicContact CE1-CD1 3.4Å; F533-L784 HydrophobicContact CZ-CD1 4.31Å; L537-L784 HydrophobicContact CD2-CD1 4.14Å; T782-L784 HydrophobicContact CG2-CD2 3.5Å; T782-L784 VanDerWaalsContact CG2-CD2 3.5Å; T782-L784 HydrophobicContact CG2-CG 3.89Å; L784-F786 HydrophobicContact CB-CD2 4.43Å; L784-F786 HydrophobicContact CB-CE2 3.75Å; L784-F786 HydrophobicContact CB-CZ 4.47Å; L784-F786 HydrophobicContact CD1-CE2 4.39Å
785	Y	92.3	Very high	81.4	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	110	179.7	-53.7	-93.8	0	0	0	108.5	A336 I337 I338 Y519 L560 L740 K743 L744 D747 R783	A336-Y785 WeakPolarHBondContact O-CD2 3.45Å; A336-Y785 PolarHBondContact O-N 3.47Å; I337-Y785 CarbonylContact C-O 3.58Å; I337-Y785 WeakPolarHBondContact CA-O 3.24Å; I337-Y785 HydrophobicContact CG1-CD2 4.43Å; I338-Y785 PolarHBondContact N-O 3.39Å; Y519-Y785 AromaticContact CD2-CD1 3.83Å; Y519-Y785 HydrophobicContact CD2-CD1 3.83Å; Y519-Y785 AromaticContact CD2-CE1 3.54Å; Y519-Y785 HydrophobicContact CD2-CE1 3.54Å; Y519-Y785 HydrophobicContact CE2-CE1 4.07Å; Y519-Y785 HydrophobicContact CG-CD1 4.11Å; Y519-Y785 HydrophobicContact CG-CE1 4.09Å; Y519-Y785 CarbonylContact O-C 3.25Å; Y519-Y785 WeakPolarHBondContact O-CA 3.36Å; L560-Y785 HydrophobicContact CD2-CD1 4.33Å; L560-Y785 HydrophobicContact CD2-CE1 4.32Å; L740-Y785 HydrophobicContact CD1-CD1 3.75Å; L740-Y785 HydrophobicContact CD1-CD2 4.48Å; L740-Y785 HydrophobicContact CD1-CE1 4.22Å; L740-Y785 HydrophobicContact CD1-CG 3.9Å; K743-Y785 HydrophobicContact CG-CE1 3.97Å; L744-Y785 HydrophobicContact CD2-CD2 3.83Å; L744-Y785 HydrophobicContact CD2-CE2 3.32Å; D747-Y785 PolarHBondContact OD2-OH 2.87Å; R783-Y785 HydrophobicContact CB-CE2 3.56Å; R783-Y785 WeakPolarHBondContact CB-OH 3.27Å
786	F	92.8	Very high	83.2	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.4	176.6	-67.3	-94.8	0	0	0	109.6	I338 M518 Y519 A520 S521 V526 T529 A530 F533 L561 L784	I338-F786 HydrophobicContact CB-CD1 3.97Å; I338-F786 HydrophobicContact CB-CE1 3.97Å; I338-F786 HydrophobicContact CD1-CE1 3.78Å; I338-F786 HydrophobicContact CD1-CE2 4.42Å; I338-F786 HydrophobicContact CD1-CZ 3.7Å; I338-F786 HydrophobicContact CG1-CE1 4.46Å; I338-F786 HydrophobicContact CG2-CD1 4.17Å; I338-F786 HydrophobicContact CG2-CE1 3.97Å; I338-F786 CarbonylContact O-C 3.52Å; I338-F786 VanDerWaalsContact O-CA 3.32Å; I338-F786 WeakPolarHBondContact O-CA 3.18Å; M518-F786 HydrophobicContact SD-CE2 4.2Å; Y519-F786 PolarHBondContact O-N 2.99Å; A520-F786 HydrophobicContact CB-CB 4.17Å; S521-F786 PolarHBondContact N-O 3.19Å; V526-F786 HydrophobicContact CG1-CB 3.61Å; V526-F786 WeakPolarHBondContact CG1-O 3.41Å; T529-F786 HydrophobicContact CG2-CD1 4.01Å; T529-F786 HydrophobicContact CG2-CE1 4.21Å; A530-F786 HydrophobicContact CB-CB 3.98Å; A530-F786 HydrophobicContact CB-CD1 4.02Å; A530-F786 HydrophobicContact CB-CD2 3.28Å; A530-F786 HydrophobicContact CB-CE1 4.35Å; A530-F786 HydrophobicContact CB-CE2 3.68Å; A530-F786 HydrophobicContact CB-CG 3.48Å; A530-F786 VanDerWaalsContact CB-CG 3.48Å; A530-F786 HydrophobicContact CB-CZ 4.2Å; F533-F786 HydrophobicContact CB-CE1 3.71Å; F533-F786 HydrophobicContact CB-CZ 3.54Å; F533-F786 HydrophobicContact CD1-CE1 4.42Å; F533-F786 HydrophobicContact CD1-CE2 4.48Å; F533-F786 AromaticContact CD1-CZ 3.6Å; F533-F786 HydrophobicContact CD1-CZ 3.6Å; F533-F786 HydrophobicContact CD2-CE1 4.2Å; F533-F786 HydrophobicContact CD2-CZ 4.13Å; F533-F786 HydrophobicContact CE1-CZ 4.33Å; F533-F786 AromaticContact CG-CE1 3.86Å; F533-F786 HydrophobicContact CG-CE1 3.86Å; F533-F786 AromaticContact CG-CZ 3.48Å; F533-F786 HydrophobicContact CG-CZ 3.48Å; F533-F786 VanDerWaalsContact CG-CZ 3.48Å; L561-F786 WeakPolarHBondContact CD1-O 3.31Å; L784-F786 HydrophobicContact CB-CD2 4.43Å; L784-F786 HydrophobicContact CB-CE2 3.75Å; L784-F786 HydrophobicContact CB-CZ 4.47Å; L784-F786 HydrophobicContact CD1-CE2 4.39Å
787	T	92.1	Very high	85	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-179.8	-172.3	-168.8	0	0	0	0	112.5	I337 I338 R339 H340 H791 I792	I337-T787 HydrophobicContact CG2-CG2 3.7Å; I338-T787 PolarHBondContact O-N 3.46Å; R339-T787 WeakPolarHBondContact CA-O 3.44Å; H340-T787 PolarHBondContact N-O 3.47Å; T787-H791 HydrophobicContact CG2-CB 3.58Å; T787-H791 VanDerWaalsContact OG1-CB 3.32Å; T787-H791 WeakPolarHBondContact OG1-CB 3.26Å; T787-H791 PolarHBondContact OG1-ND1 2.97Å; T787-I792 HydrophobicContact CG2-CD1 4.2Å; T787-I792 HydrophobicContact CG2-CG1 4.5Å
788	S	88.9	Confident	86.5	Confident	29 Å²	29	10.2 Å²	10.2	20%	0.203	5%	0.051	C	C	.	.			trans	-93.1	176.6	172.1	79.7	0	0	0	0	111.5	S790 H791	S788-S790 PolarHBondContact O-N 3.13Å; S788-S790 PolarHBondContact OG-OG 3.33Å; S788-H791 PolarHBondContact O-N 3.47Å
789	E	89.7	Confident	87.7	Confident	44 Å²	44	9.8 Å²	9.8	21%	0.206	5%	0.05	C	C	.	.	H	α-helix	trans	-57.8	-32.9	-177.7	-160.4	-175.2	141.3	0	0	114.2	R339 V718 H791 I792 H793	R339-E789 IonicContact CZ-OE2 2.74Å; R339-E789 IonicContact NE-OE2 3.81Å; R339-E789 IonicContact NH2-OE2 3.86Å; R339-E789 PolarHBondContact NH2-OE2 3.19Å; V718-E789 WeakPolarHBondContact CG1-OE1 3.47Å; E789-H791 VanDerWaalsContact C-N 3.26Å; E789-H791 PolarHBondContact O-N 2.94Å; E789-I792 PolarHBondContact O-N 3.2Å; E789-I792 VanDerWaalsContact O-N 3.11Å; E789-H793 PolarHBondContact O-CD2 3.09Å; E789-H793 PolarHBondContact O-N 2.91Å; E789-H793 VanDerWaalsContact O-N 3.14Å; E789-H793 IonicContact OE1-CD2 2.82Å; E789-H793 IonicContact OE1-NE2 2.62Å; E789-H793 PolarHBondContact OE1-NE2 3.43Å
790	S	88.8	Confident	88.8	Confident	10 Å²	10	10.5 Å²	10.5	7%	0.07	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-37.9	-175.3	62	0	0	0	0	113.3	Y722 S788 S794	Y722-S790 VanDerWaalsContact OH-CA 3.28Å; Y722-S790 WeakPolarHBondContact OH-CA 3.28Å; Y722-S790 WeakPolarHBondContact OH-CB 3.43Å; S788-S790 PolarHBondContact O-N 3.13Å; S788-S790 PolarHBondContact OG-OG 3.33Å; S790-S794 VanDerWaalsContact O-CB 3.26Å; S790-S794 WeakPolarHBondContact O-CB 3.49Å; S790-S794 PolarHBondContact O-N 2.93Å; S790-S794 PolarHBondContact O-OG 3.36Å
791	H	91.2	Very high	89.6	Confident	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-73.8	-33.8	-179.6	-73.8	62.6	0	0	0	111.9	L561 T787 S788 E789 L795	L561-H791 VanDerWaalsContact C-CE1 3.46Å; L561-H791 VanDerWaalsContact CA-NE2 3.26Å; L561-H791 WeakPolarHBondContact CA-NE2 3.28Å; L561-H791 PolarHBondContact O-CE1 3.25Å; L561-H791 PolarHBondContact O-NE2 3.33Å; T787-H791 HydrophobicContact CG2-CB 3.58Å; T787-H791 VanDerWaalsContact OG1-CB 3.32Å; T787-H791 WeakPolarHBondContact OG1-CB 3.26Å; T787-H791 PolarHBondContact OG1-ND1 2.97Å; S788-H791 PolarHBondContact O-N 3.47Å; E789-H791 VanDerWaalsContact C-N 3.26Å; E789-H791 PolarHBondContact O-N 2.94Å; H791-L795 VanDerWaalsContact O-CB 3.25Å; H791-L795 WeakPolarHBondContact O-CB 3.25Å; H791-L795 WeakPolarHBondContact O-CG 3.39Å; H791-L795 PolarHBondContact O-N 3.11Å
792	I	93.5	Very high	89.8	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68	-47.1	177.2	-56.7	-58.7	0	0	0	109.9	I337 R339 T787 E789 S794 L795 M796 Y826 A830 F856	I337-I792 HydrophobicContact CG2-CD1 3.99Å; R339-I792 HydrophobicContact CB-CG1 4.06Å; T787-I792 HydrophobicContact CG2-CD1 4.2Å; T787-I792 HydrophobicContact CG2-CG1 4.5Å; E789-I792 PolarHBondContact O-N 3.2Å; E789-I792 VanDerWaalsContact O-N 3.11Å; I792-S794 VanDerWaalsContact C-N 3.34Å; I792-S794 PolarHBondContact O-N 3.38Å; I792-L795 PolarHBondContact O-N 2.98Å; I792-M796 HydrophobicContact CG2-CG 4.33Å; I792-M796 WeakPolarHBondContact O-CB 3.36Å; I792-M796 VanDerWaalsContact O-CG 3.25Å; I792-M796 WeakPolarHBondContact O-CG 3.3Å; I792-M796 PolarHBondContact O-N 2.82Å; I792-Y826 HydrophobicContact CG2-CD2 3.88Å; I792-Y826 HydrophobicContact CG2-CG 3.88Å; I792-A830 HydrophobicContact CG2-CB 4.47Å; I792-F856 HydrophobicContact CG2-CE2 4.28Å
793	H	93.3	Very high	89.5	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-58	-47.3	174.7	-79.5	-75	0	0	0	112.1	F719 Y722 E789 M796 N797 Y826	F719-H793 AromaticContact CD1-CE1 3.78Å; F719-H793 AromaticContact CD1-ND1 3.74Å; F719-H793 AromaticContact CE1-CE1 3.79Å; F719-H793 AromaticContact CE1-ND1 3.91Å; Y722-H793 HydrophobicContact CD1-CB 4.05Å; Y722-H793 HydrophobicContact CD2-CB 3.63Å; Y722-H793 AromaticContact CD2-CD2 3.92Å; Y722-H793 AromaticContact CD2-CG 3.63Å; Y722-H793 HydrophobicContact CE1-CB 4.25Å; Y722-H793 HydrophobicContact CE2-CB 3.86Å; Y722-H793 AromaticContact CE2-CD2 3.47Å; Y722-H793 VanDerWaalsContact CE2-CD2 3.47Å; Y722-H793 WeakPolarHBondContact CE2-CD2 3.21Å; Y722-H793 AromaticContact CE2-CG 3.68Å; Y722-H793 HydrophobicContact CG-CB 3.75Å; E789-H793 PolarHBondContact O-CD2 3.09Å; E789-H793 PolarHBondContact O-N 2.91Å; E789-H793 VanDerWaalsContact O-N 3.14Å; E789-H793 IonicContact OE1-CD2 2.82Å; E789-H793 IonicContact OE1-NE2 2.62Å; E789-H793 PolarHBondContact OE1-NE2 3.43Å; H793-M796 PolarHBondContact O-N 3.38Å; H793-N797 WeakPolarHBondContact O-CB 3.45Å; H793-N797 VanDerWaalsContact O-CG 3.28Å; H793-N797 PolarHBondContact O-N 2.86Å; H793-Y826 HydrophobicContact CB-CD2 4.5Å; H793-Y826 HydrophobicContact CB-CE2 4.48Å; H793-Y826 AromaticContact CD2-CD2 3.99Å; H793-Y826 AromaticContact CE1-CD2 3.4Å; H793-Y826 VanDerWaalsContact CE1-CD2 3.4Å; H793-Y826 WeakPolarHBondContact CE1-CD2 3.26Å; H793-Y826 AromaticContact CE1-CE2 3.75Å; H793-Y826 AromaticContact CG-CD2 3.71Å; H793-Y826 AromaticContact CG-CE2 3.94Å; H793-Y826 AromaticContact ND1-CD2 3.35Å; H793-Y826 VanDerWaalsContact ND1-CD2 3.35Å; H793-Y826 WeakPolarHBondContact ND1-CD2 3.33Å; H793-Y826 AromaticContact ND1-CE2 3.32Å; H793-Y826 VanDerWaalsContact ND1-CE2 3.32Å; H793-Y826 WeakPolarHBondContact ND1-CE2 3.4Å; H793-Y826 AromaticContact NE2-CD2 3.8Å
794	S	92.7	Very high	88.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.8	-47.2	-179.3	-61.4	0	0	0	0	111.6	A733 I736 C737 S790 I792 M796 N797 L798	A733-S794 WeakPolarHBondContact CB-O 3.05Å; I736-S794 WeakPolarHBondContact CD1-OG 3.1Å; C737-S794 WeakPolarHBondContact SG-CB 3.41Å; S790-S794 VanDerWaalsContact O-CB 3.26Å; S790-S794 WeakPolarHBondContact O-CB 3.49Å; S790-S794 PolarHBondContact O-N 2.93Å; S790-S794 PolarHBondContact O-OG 3.36Å; I792-S794 VanDerWaalsContact C-N 3.34Å; I792-S794 PolarHBondContact O-N 3.38Å; S794-M796 PolarHBondContact O-N 2.8Å; S794-N797 PolarHBondContact O-N 3.4Å; S794-L798 WeakPolarHBondContact O-CG 3.38Å; S794-L798 PolarHBondContact O-N 2.97Å
795	L	92.2	Very high	87.8	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175.4	-75.1	170.3	0	0	0	111.9	I337 C737 L740 I741 H791 I792 N797 L798 V799 M832	I337-L795 HydrophobicContact CB-CD1 3.97Å; I337-L795 HydrophobicContact CD1-CD1 4.39Å; I337-L795 HydrophobicContact CG1-CD1 3.9Å; I337-L795 HydrophobicContact CG2-CD1 3.69Å; C737-L795 HydrophobicContact CB-CD2 4.19Å; L740-L795 HydrophobicContact CD2-CD1 3.98Å; I741-L795 HydrophobicContact CD1-CD2 3.56Å; I741-L795 HydrophobicContact CG1-CD2 4.41Å; H791-L795 VanDerWaalsContact O-CB 3.25Å; H791-L795 WeakPolarHBondContact O-CB 3.25Å; H791-L795 WeakPolarHBondContact O-CG 3.39Å; H791-L795 PolarHBondContact O-N 3.11Å; I792-L795 PolarHBondContact O-N 2.98Å; L795-N797 VanDerWaalsContact C-N 3.3Å; L795-N797 PolarHBondContact O-N 3.44Å; L795-L798 PolarHBondContact O-N 2.82Å; L795-V799 VanDerWaalsContact O-CG2 3.27Å; L795-V799 WeakPolarHBondContact O-CG2 3.33Å; L795-V799 PolarHBondContact O-N 3.38Å; L795-M832 HydrophobicContact CB-SD 4.22Å; L795-M832 HydrophobicContact CD1-SD 4.32Å
796	M	92.1	Very high	86.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-34	179.1	-68.6	-53.5	108.7	0	0	112.3	I792 H793 S794 V799 Q800 L820 Y826 M832 F856	I792-M796 HydrophobicContact CG2-CG 4.33Å; I792-M796 WeakPolarHBondContact O-CB 3.36Å; I792-M796 VanDerWaalsContact O-CG 3.25Å; I792-M796 WeakPolarHBondContact O-CG 3.3Å; I792-M796 PolarHBondContact O-N 2.82Å; H793-M796 PolarHBondContact O-N 3.38Å; S794-M796 PolarHBondContact O-N 2.8Å; M796-V799 PolarHBondContact O-N 3.03Å; M796-Q800 WeakPolarHBondContact O-CB 3.47Å; M796-Q800 VanDerWaalsContact O-CG 3.31Å; M796-Q800 WeakPolarHBondContact O-CG 3.16Å; M796-Q800 PolarHBondContact O-N 2.87Å; M796-Q800 PolarHBondContact O-NE2 3.24Å; M796-L820 HydrophobicContact SD-CD2 4.15Å; M796-Y826 HydrophobicContact CB-CE2 3.96Å; M796-Y826 WeakPolarHBondContact CB-OH 3.3Å; M796-Y826 HydrophobicContact CG-CE1 4.23Å; M796-Y826 HydrophobicContact CG-CE2 3.95Å; M796-M832 HydrophobicContact CE-CB 3.82Å; M796-M832 HydrophobicContact CE-CG 3.83Å; M796-M832 HydrophobicContact CE-SD 3.49Å; M796-M832 WeakPolarHBondContact CE-SD 3.37Å; M796-F856 HydrophobicContact CE-CD2 3.67Å; M796-F856 HydrophobicContact CE-CE2 3.96Å; M796-F856 HydrophobicContact CG-CD2 4.42Å; M796-F856 HydrophobicContact CG-CE2 3.9Å; M796-F856 HydrophobicContact CG-CZ 4.24Å; M796-F856 HydrophobicContact SD-CD1 4.41Å; M796-F856 HydrophobicContact SD-CD2 3.42Å; M796-F856 WeakPolarHBondContact SD-CD2 2.82Å; M796-F856 HydrophobicContact SD-CE1 4.49Å; M796-F856 HydrophobicContact SD-CE2 3.5Å; M796-F856 VanDerWaalsContact SD-CE2 3.5Å; M796-F856 HydrophobicContact SD-CG 3.91Å; M796-F856 HydrophobicContact SD-CZ 4.07Å
797	N	92.2	Very high	85.3	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.032	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-42.3	171.9	-76.2	-15.5	0	0	0	111.6	Y722 K729 A733 H793 S794 L795 V799 Q800 F801	Y722-N797 PolarHBondContact O-ND2 2.93Å; K729-N797 HydrophobicContact CB-CB 4.14Å; A733-N797 HydrophobicContact CB-CB 4.15Å; H793-N797 WeakPolarHBondContact O-CB 3.45Å; H793-N797 VanDerWaalsContact O-CG 3.28Å; H793-N797 PolarHBondContact O-N 2.86Å; S794-N797 PolarHBondContact O-N 3.4Å; L795-N797 VanDerWaalsContact C-N 3.3Å; L795-N797 PolarHBondContact O-N 3.44Å; N797-V799 VanDerWaalsContact C-N 3.35Å; N797-Q800 PolarHBondContact O-N 2.87Å; N797-F801 HydrophobicContact CB-CD2 4.31Å; N797-F801 WeakPolarHBondContact O-CB 3.44Å; N797-F801 VanDerWaalsContact O-CD2 3.32Å; N797-F801 WeakPolarHBondContact O-CD2 3.41Å; N797-F801 PolarHBondContact O-N 2.78Å
798	L	90.3	Very high	84.1	Confident	32 Å²	32	39.4 Å²	39.4	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-39.9	174.7	-67.8	172.6	0	0	0	111.8	V730 A733 E734 C737 I741 S794 L795 G802	V730-L798 HydrophobicContact CG1-CD2 4.21Å; A733-L798 HydrophobicContact CB-CD1 4.23Å; A733-L798 HydrophobicContact CB-CD2 3.88Å; A733-L798 HydrophobicContact CB-CG 3.66Å; E734-L798 HydrophobicContact CG-CD2 4.12Å; C737-L798 HydrophobicContact CB-CD1 4.01Å; I741-L798 HydrophobicContact CG1-CD1 4.33Å; S794-L798 WeakPolarHBondContact O-CG 3.38Å; S794-L798 PolarHBondContact O-N 2.97Å; L795-L798 PolarHBondContact O-N 2.82Å; L798-G802 WeakPolarHBondContact O-CA 3.48Å; L798-G802 PolarHBondContact O-N 3.12Å
799	V	87.8	Confident	83.2	Confident	8 Å²	8	41.5 Å²	41.5	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-41.8	177.5	171.2	0	0	0	0	111.2	L795 M796 N797 W813 M832 L854 L889	L795-V799 VanDerWaalsContact O-CG2 3.27Å; L795-V799 WeakPolarHBondContact O-CG2 3.33Å; L795-V799 PolarHBondContact O-N 3.38Å; M796-V799 PolarHBondContact O-N 3.03Å; N797-V799 VanDerWaalsContact C-N 3.35Å; V799-W813 HydrophobicContact CG1-CH2 3.7Å; V799-W813 HydrophobicContact CG1-CZ3 4.35Å; V799-W813 WeakPolarHBondContact O-CZ2 3.43Å; V799-M832 HydrophobicContact CG2-CE 3.82Å; V799-M832 HydrophobicContact CG2-SD 4.4Å; V799-L854 HydrophobicContact CG1-CD2 4.1Å; V799-L854 HydrophobicContact CG2-CD2 4.32Å; V799-L889 HydrophobicContact CG1-CD1 3.97Å
800	Q	86.8	Confident	82.5	Confident	43 Å²	43	42.6 Å²	42.6	20%	0.201	24%	0.239	C	C	.	.	H	α-helix	trans	-79.2	-38.2	-178.2	-71.8	175.7	62.8	0	0	113.6	M796 N797 L817 L820	M796-Q800 WeakPolarHBondContact O-CB 3.47Å; M796-Q800 VanDerWaalsContact O-CG 3.31Å; M796-Q800 WeakPolarHBondContact O-CG 3.16Å; M796-Q800 PolarHBondContact O-N 2.87Å; M796-Q800 PolarHBondContact O-NE2 3.24Å; N797-Q800 PolarHBondContact O-N 2.87Å; Q800-L817 HydrophobicContact CB-CD2 4.38Å; Q800-L817 HydrophobicContact CG-CD2 4.03Å; Q800-L820 HydrophobicContact CG-CB 4.33Å; Q800-L820 HydrophobicContact CG-CD1 3.62Å
801	F	88	Confident	82	Confident	56 Å²	56	48 Å²	48	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-121.7	-15.4	-167.4	-51.5	-65	0	0	0	114	T599 A726 K729 V730 N797 T803	T599-F801 HydrophobicContact CG2-CE1 3.8Å; T599-F801 HydrophobicContact CG2-CZ 3.84Å; A726-F801 HydrophobicContact CB-CB 4.37Å; A726-F801 HydrophobicContact CB-CD1 3.91Å; A726-F801 HydrophobicContact CB-CG 4.22Å; K729-F801 HydrophobicContact CB-CD2 4.09Å; K729-F801 HydrophobicContact CD-CD2 3.83Å; K729-F801 HydrophobicContact CD-CE2 3.42Å; K729-F801 VanDerWaalsContact CD-CE2 3.42Å; K729-F801 HydrophobicContact CD-CZ 4.1Å; V730-F801 HydrophobicContact CG2-CB 3.64Å; N797-F801 HydrophobicContact CB-CD2 4.31Å; N797-F801 WeakPolarHBondContact O-CB 3.44Å; N797-F801 VanDerWaalsContact O-CD2 3.32Å; N797-F801 WeakPolarHBondContact O-CD2 3.41Å; N797-F801 PolarHBondContact O-N 2.78Å; F801-T803 PolarHBondContact O-N 3.05Å; F801-T803 VanDerWaalsContact O-N 3.08Å
802	G	82.5	Confident	81.3	Confident	27 Å²	27	50.5 Å²	50.5	28%	0.278	27%	0.273	S	S	.	.	S	Bend	trans	-78.8	20.7	-177.1	0	0	0	0	0	115	L798 L804	L798-G802 WeakPolarHBondContact O-CA 3.48Å; L798-G802 PolarHBondContact O-N 3.12Å; G802-L804 PolarHBondContact O-N 3.42Å; G802-L804 VanDerWaalsContact O-N 3.15Å
803	T	75	Confident	80.7	Confident	105 Å²	105	50.8 Å²	50.8	64%	0.644	27%	0.274	S	S	*	.			trans	55.7	31	175.9	59	0	0	0	0	115.2	F801 L805	F801-T803 PolarHBondContact O-N 3.05Å; F801-T803 VanDerWaalsContact O-N 3.08Å; T803-L805 PolarHBondContact O-N 3.21Å
804	L	71.8	Confident	80.1	Confident	70 Å²	70	54.2 Å²	54.2	37%	0.366	29%	0.291	S	S	.	.	S	Bend	trans	-56	-40	177.7	-177	67.5	0	0	0	112	G802 W813 L854	G802-L804 PolarHBondContact O-N 3.42Å; G802-L804 VanDerWaalsContact O-N 3.15Å; L804-W813 HydrophobicContact CD2-CH2 4.22Å; L804-L854 HydrophobicContact CD2-CD2 4.44Å
805	L	69.6	Low	79.6	Confident	35 Å²	35	56.1 Å²	56.1	18%	0.183	30%	0.301	C	S	.	.	S	Bend	trans	-121.2	143.2	169.6	-66.4	173.8	0	0	0	108.7	T803 F809 W813 C890 T892	T803-L805 PolarHBondContact O-N 3.21Å; L805-F809 HydrophobicContact CB-CD1 4.29Å; L805-F809 HydrophobicContact CB-CE1 4.12Å; L805-F809 WeakPolarHBondContact O-CE1 3.26Å; L805-W813 HydrophobicContact CD1-CB 4.21Å; L805-W813 HydrophobicContact CD1-CD2 3.35Å; L805-W813 HydrophobicContact CD1-CE3 3.57Å; L805-W813 HydrophobicContact CD1-CG 3.66Å; L805-W813 HydrophobicContact CD1-CH2 4.39Å; L805-W813 HydrophobicContact CD1-CZ2 4.21Å; L805-W813 HydrophobicContact CD1-CZ3 4.12Å; L805-W813 HydrophobicContact CG-CD2 4.45Å; L805-C890 HydrophobicContact CD1-CB 4.29Å; L805-C890 WeakPolarHBondContact CD1-SG 3.32Å; L805-T892 HydrophobicContact CD2-CG2 3.9Å
806	E	67.5	Low	79.1	Confident	130 Å²	130	56.1 Å²	56.1	61%	0.607	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-103.7	145.9	174.2	-72.7	170.1	-145.7	0	0	109.1	R901	E806-R901 IonicContact OE1-NH2 2.93Å; E806-R901 PolarHBondContact OE1-NH2 3.03Å
807	P	65	Low	78.7	Confident	98 Å²	98	58 Å²	58	64%	0.636	31%	0.311	S	S	*	.	S	Bend	trans	-60.3	154.2	174.7	-19.9	30.3	0	0	0	112.7	F809	P807-F809 HydrophobicContact CB-CZ 4.47Å; P807-F809 HydrophobicContact CG-CE1 4.03Å; P807-F809 HydrophobicContact CG-CE2 4.01Å; P807-F809 HydrophobicContact CG-CZ 3.67Å
808	P	68.3	Low	78.4	Confident	131 Å²	131	63.3 Å²	63.3	85%	0.851	33%	0.333	S	S	*	.	S	Bend	cis	-75.8	133.7	1.8	30.2	-33.5	0	0	0	111.9
809	F	69.6	Low	78.1	Confident	72 Å²	72	62.2 Å²	62.2	32%	0.316	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-77.2	143.3	178.2	-58.3	-47	0	0	0	110.6	L805 P807 W813 E814 L817	L805-F809 HydrophobicContact CB-CD1 4.29Å; L805-F809 HydrophobicContact CB-CE1 4.12Å; L805-F809 WeakPolarHBondContact O-CE1 3.26Å; P807-F809 HydrophobicContact CB-CZ 4.47Å; P807-F809 HydrophobicContact CG-CE1 4.03Å; P807-F809 HydrophobicContact CG-CE2 4.01Å; P807-F809 HydrophobicContact CG-CZ 3.67Å; F809-W813 HydrophobicContact CB-CB 4.35Å; F809-W813 HydrophobicContact CB-CG 4.45Å; F809-W813 AromaticContact CD1-CD1 3.35Å; F809-W813 HydrophobicContact CD1-CG 4.37Å; F809-W813 AromaticContact CD1-NE1 3.72Å; F809-W813 AromaticContact CD2-CD1 3.97Å; F809-W813 AromaticContact CE1-CD1 3.84Å; F809-W813 AromaticContact CE1-NE1 3.7Å; F809-W813 AromaticContact CG-CD1 3.43Å; F809-W813 VanDerWaalsContact CG-CD1 3.43Å; F809-W813 HydrophobicContact CG-CG 4.47Å; F809-E814 HydrophobicContact CB-CG 4.13Å; F809-L817 HydrophobicContact CD2-CD1 4.47Å; F809-L817 HydrophobicContact CE2-CD1 4.28Å
810	D	73.8	Confident	78	Confident	67 Å²	67	62.1 Å²	62.1	36%	0.358	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-68.3	166.9	167	70.9	28.2	0	0	0	110.9	Q812 W813 E814	D810-Q812 PolarHBondContact O-N 2.83Å; D810-Q812 WeakPolarHBondContact OD1-CA 3.47Å; D810-Q812 WeakPolarHBondContact OD1-CB 3.44Å; D810-Q812 PolarHBondContact OD1-N 2.92Å; D810-W813 PolarHBondContact O-N 3.37Å; D810-W813 WeakPolarHBondContact OD1-CB 3.02Å; D810-W813 PolarHBondContact OD1-N 2.97Å; D810-E814 PolarHBondContact O-N 2.91Å; D810-E814 VanDerWaalsContact O-N 3.15Å
811	K	78.1	Confident	78	Confident	125 Å²	125	61.1 Å²	61.1	54%	0.543	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-29.4	-177.3	-169.4	54.5	174.1	-173.4	0	112.9	E814 N815	K811-E814 WeakPolarHBondContact CD-OE2 3.44Å; K811-E814 IonicContact NZ-OE2 2.82Å; K811-E814 PolarHBondContact NZ-OE2 2.79Å; K811-N815 WeakPolarHBondContact O-CB 3.1Å; K811-N815 PolarHBondContact O-N 3.45Å; K811-N815 VanDerWaalsContact O-N 3.1Å; K811-N815 PolarHBondContact O-ND2 3.49Å
812	Q	77.2	Confident	77.9	Confident	53 Å²	53	59.9 Å²	59.9	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-47.3	-176.9	-170.3	-166.7	-53.1	0	0	110.4	D810 N815 A816	D810-Q812 PolarHBondContact O-N 2.83Å; D810-Q812 WeakPolarHBondContact OD1-CA 3.47Å; D810-Q812 WeakPolarHBondContact OD1-CB 3.44Å; D810-Q812 PolarHBondContact OD1-N 2.92Å; Q812-N815 PolarHBondContact O-N 3.19Å; Q812-A816 WeakPolarHBondContact O-CB 3.48Å; Q812-A816 PolarHBondContact O-N 3.1Å
813	W	80.6	Confident	78.1	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-40.6	176.1	-173.3	-105.9	0	0	0	111.8	V799 L804 L805 F809 D810 N815 A816 L817 L889 C890	V799-W813 HydrophobicContact CG1-CH2 3.7Å; V799-W813 HydrophobicContact CG1-CZ3 4.35Å; V799-W813 WeakPolarHBondContact O-CZ2 3.43Å; L804-W813 HydrophobicContact CD2-CH2 4.22Å; L805-W813 HydrophobicContact CD1-CB 4.21Å; L805-W813 HydrophobicContact CD1-CD2 3.35Å; L805-W813 HydrophobicContact CD1-CE3 3.57Å; L805-W813 HydrophobicContact CD1-CG 3.66Å; L805-W813 HydrophobicContact CD1-CH2 4.39Å; L805-W813 HydrophobicContact CD1-CZ2 4.21Å; L805-W813 HydrophobicContact CD1-CZ3 4.12Å; L805-W813 HydrophobicContact CG-CD2 4.45Å; F809-W813 HydrophobicContact CB-CB 4.35Å; F809-W813 HydrophobicContact CB-CG 4.45Å; F809-W813 AromaticContact CD1-CD1 3.35Å; F809-W813 HydrophobicContact CD1-CG 4.37Å; F809-W813 AromaticContact CD1-NE1 3.72Å; F809-W813 AromaticContact CD2-CD1 3.97Å; F809-W813 AromaticContact CE1-CD1 3.84Å; F809-W813 AromaticContact CE1-NE1 3.7Å; F809-W813 AromaticContact CG-CD1 3.43Å; F809-W813 VanDerWaalsContact CG-CD1 3.43Å; F809-W813 HydrophobicContact CG-CG 4.47Å; D810-W813 PolarHBondContact O-N 3.37Å; D810-W813 WeakPolarHBondContact OD1-CB 3.02Å; D810-W813 PolarHBondContact OD1-N 2.97Å; W813-N815 VanDerWaalsContact C-N 3.32Å; W813-N815 PolarHBondContact O-N 3Å; W813-A816 WeakPolarHBondContact O-CB 3.41Å; W813-A816 PolarHBondContact O-N 3.16Å; W813-L817 HydrophobicContact CZ2-CD2 4.14Å; W813-L817 WeakPolarHBondContact O-CG 3.5Å; W813-L817 PolarHBondContact O-N 3.49Å; W813-L889 HydrophobicContact CZ3-CB 4.14Å; W813-C890 HydrophobicContact CE3-CB 3.57Å; W813-C890 HydrophobicContact CZ3-CB 3.57Å
814	E	81.6	Confident	78.7	Confident	74 Å²	74	54.6 Å²	54.6	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-57	-45.4	172.6	-74.6	-173.4	172.2	0	0	112.3	F809 D810 K811 K818	F809-E814 HydrophobicContact CB-CG 4.13Å; D810-E814 PolarHBondContact O-N 2.91Å; D810-E814 VanDerWaalsContact O-N 3.15Å; K811-E814 WeakPolarHBondContact CD-OE2 3.44Å; K811-E814 IonicContact NZ-OE2 2.82Å; K811-E814 PolarHBondContact NZ-OE2 2.79Å; E814-K818 VanDerWaalsContact O-CG 3.29Å; E814-K818 WeakPolarHBondContact O-CG 3.45Å; E814-K818 PolarHBondContact O-N 2.89Å
815	N	82.4	Confident	79.5	Confident	40 Å²	40	52.6 Å²	52.6	21%	0.214	27%	0.273	C	S	.	.	H	α-helix	trans	-68.4	-37.5	179.7	-69.3	-15.4	0	0	0	111.2	K811 Q812 W813 K818 F819 L872	K811-N815 WeakPolarHBondContact O-CB 3.1Å; K811-N815 PolarHBondContact O-N 3.45Å; K811-N815 VanDerWaalsContact O-N 3.1Å; K811-N815 PolarHBondContact O-ND2 3.49Å; Q812-N815 PolarHBondContact O-N 3.19Å; W813-N815 VanDerWaalsContact C-N 3.32Å; W813-N815 PolarHBondContact O-N 3Å; N815-K818 PolarHBondContact O-N 3Å; N815-F819 PolarHBondContact O-N 3.03Å; N815-L872 VanDerWaalsContact CG-O 3.3Å; N815-L872 PolarHBondContact ND2-O 3.12Å
816	A	81.5	Confident	80.5	Confident	1 Å²	1	51 Å²	51	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-46.1	174.4	0	0	0	0	0	112.6	Q812 W813 K818 F819 L820 L889	Q812-A816 WeakPolarHBondContact O-CB 3.48Å; Q812-A816 PolarHBondContact O-N 3.1Å; W813-A816 WeakPolarHBondContact O-CB 3.41Å; W813-A816 PolarHBondContact O-N 3.16Å; A816-K818 VanDerWaalsContact C-N 3.33Å; A816-K818 PolarHBondContact O-N 2.79Å; A816-F819 WeakPolarHBondContact O-CB 3.37Å; A816-F819 PolarHBondContact O-N 3.29Å; A816-L820 WeakPolarHBondContact O-CG 3.24Å; A816-L820 PolarHBondContact O-N 2.88Å; A816-L889 HydrophobicContact CB-CB 4.24Å; A816-L889 HydrophobicContact CB-CD2 3.84Å; A816-L889 VanDerWaalsContact CB-O 3.28Å; A816-L889 WeakPolarHBondContact CB-O 3.23Å
817	L	83.7	Confident	81.6	Confident	40 Å²	40	45 Å²	45	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-40.5	175.1	-70.2	-179.4	0	0	0	111.5	Q800 F809 W813 F819 L820 S821	Q800-L817 HydrophobicContact CB-CD2 4.38Å; Q800-L817 HydrophobicContact CG-CD2 4.03Å; F809-L817 HydrophobicContact CD2-CD1 4.47Å; F809-L817 HydrophobicContact CE2-CD1 4.28Å; W813-L817 HydrophobicContact CZ2-CD2 4.14Å; W813-L817 WeakPolarHBondContact O-CG 3.5Å; W813-L817 PolarHBondContact O-N 3.49Å; L817-F819 VanDerWaalsContact C-N 3.35Å; L817-F819 PolarHBondContact O-N 3.36Å; L817-L820 PolarHBondContact O-N 2.91Å; L817-S821 WeakPolarHBondContact O-CB 3.3Å; L817-S821 PolarHBondContact O-N 3.44Å
818	K	84.4	Confident	82.9	Confident	117 Å²	117	40.8 Å²	40.8	51%	0.509	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-44.9	173.2	-75.2	170.5	-174.9	169.9	0	111.4	E814 N815 A816 S821 S822	E814-K818 VanDerWaalsContact O-CG 3.29Å; E814-K818 WeakPolarHBondContact O-CG 3.45Å; E814-K818 PolarHBondContact O-N 2.89Å; N815-K818 PolarHBondContact O-N 3Å; A816-K818 VanDerWaalsContact C-N 3.33Å; A816-K818 PolarHBondContact O-N 2.79Å; K818-S821 WeakPolarHBondContact O-CB 3.48Å; K818-S821 PolarHBondContact O-N 2.87Å; K818-S821 PolarHBondContact O-OG 2.67Å; K818-S822 PolarHBondContact O-N 2.85Å
819	F	84.4	Confident	84	Confident	10 Å²	10	34.6 Å²	34.6	4%	0.044	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-51.3	175.4	173	-105	0	0	0	111.7	N815 A816 L817 S821 S822 V823 F856 P858 V869 I887	N815-F819 PolarHBondContact O-N 3.03Å; A816-F819 WeakPolarHBondContact O-CB 3.37Å; A816-F819 PolarHBondContact O-N 3.29Å; L817-F819 VanDerWaalsContact C-N 3.35Å; L817-F819 PolarHBondContact O-N 3.36Å; F819-S821 PolarHBondContact O-N 2.9Å; F819-S822 WeakPolarHBondContact O-CA 3.49Å; F819-S822 WeakPolarHBondContact O-CB 3.38Å; F819-S822 PolarHBondContact O-N 3.38Å; F819-S822 PolarHBondContact O-OG 2.73Å; F819-V823 HydrophobicContact CD1-CG2 4.24Å; F819-V823 HydrophobicContact CE1-CG2 3.91Å; F819-V823 HydrophobicContact CZ-CG2 4.1Å; F819-V823 PolarHBondContact O-N 3.49Å; F819-F856 HydrophobicContact CE1-CD1 4.05Å; F819-F856 HydrophobicContact CE1-CE1 4.34Å; F819-P858 HydrophobicContact CZ-CG 4.3Å; F819-V869 HydrophobicContact CD2-CG1 3.81Å; F819-V869 HydrophobicContact CE2-CG1 3.42Å; F819-V869 VanDerWaalsContact CE2-CG1 3.42Å; F819-V869 HydrophobicContact CZ-CG1 4.43Å; F819-I887 HydrophobicContact CB-CD1 3.91Å; F819-I887 HydrophobicContact CD1-CB 4.05Å; F819-I887 HydrophobicContact CD1-CD1 3.64Å; F819-I887 HydrophobicContact CD1-CG1 3.84Å; F819-I887 HydrophobicContact CD1-CG2 4.41Å; F819-I887 HydrophobicContact CD2-CD1 3.2Å; F819-I887 HydrophobicContact CD2-CG1 4.11Å; F819-I887 HydrophobicContact CE1-CB 4.07Å; F819-I887 HydrophobicContact CE1-CD1 3.84Å; F819-I887 HydrophobicContact CE1-CG1 3.66Å; F819-I887 HydrophobicContact CE2-CD1 3.39Å; F819-I887 HydrophobicContact CE2-CG1 3.9Å; F819-I887 HydrophobicContact CG-CD1 3.3Å; F819-I887 HydrophobicContact CG-CG1 4.05Å; F819-I887 HydrophobicContact CZ-CD1 3.71Å; F819-I887 HydrophobicContact CZ-CG1 3.68Å
820	L	86.6	Confident	85	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-56.8	-37.3	178.1	-70.9	177.2	0	0	0	111.9	M796 Q800 A816 L817 S822 V823 F856 L889	M796-L820 HydrophobicContact SD-CD2 4.15Å; Q800-L820 HydrophobicContact CG-CB 4.33Å; Q800-L820 HydrophobicContact CG-CD1 3.62Å; A816-L820 WeakPolarHBondContact O-CG 3.24Å; A816-L820 PolarHBondContact O-N 2.88Å; L817-L820 PolarHBondContact O-N 2.91Å; L820-S822 PolarHBondContact O-N 2.76Å; L820-V823 PolarHBondContact O-N 3.13Å; L820-F856 HydrophobicContact CD2-CD1 3.46Å; L820-F856 VanDerWaalsContact CD2-CD1 3.46Å; L820-F856 HydrophobicContact CD2-CE1 3.61Å; L820-F856 HydrophobicContact CD2-CG 4.2Å; L820-F856 HydrophobicContact CD2-CZ 4.44Å; L820-L889 HydrophobicContact CD1-CD1 4.27Å; L820-L889 HydrophobicContact CD1-CD2 3.93Å; L820-L889 HydrophobicContact CD2-CD2 4.14Å; L820-L889 HydrophobicContact CG-CD2 3.95Å
821	S	87.1	Confident	85.8	Confident	23 Å²	23	28.3 Å²	28.3	16%	0.161	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-20.8	175.2	86.4	0	0	0	0	114.2	S601 T602 T603 L817 K818 F819	S601-S821 PolarHBondContact OG-O 3.01Å; T602-S821 WeakPolarHBondContact CB-O 3.43Å; T602-S821 PolarHBondContact N-O 3.39Å; T602-S821 VanDerWaalsContact N-O 3.13Å; T602-S821 PolarHBondContact OG1-OG 2.97Å; T603-S821 PolarHBondContact N-O 2.9Å; T603-S821 PolarHBondContact OG1-O 3.4Å; L817-S821 WeakPolarHBondContact O-CB 3.3Å; L817-S821 PolarHBondContact O-N 3.44Å; K818-S821 WeakPolarHBondContact O-CB 3.48Å; K818-S821 PolarHBondContact O-N 2.87Å; K818-S821 PolarHBondContact O-OG 2.67Å; F819-S821 PolarHBondContact O-N 2.9Å
822	S	85.4	Confident	86.4	Confident	30 Å²	30	22.9 Å²	22.9	21%	0.21	12%	0.115	C	C	.	.	H	α-helix	trans	-97.7	-8.8	-179.1	74	0	0	0	0	113.9	T603 K818 F819 L820 T824	T603-S822 PolarHBondContact OG1-O 3.49Å; K818-S822 PolarHBondContact O-N 2.85Å; F819-S822 WeakPolarHBondContact O-CA 3.49Å; F819-S822 WeakPolarHBondContact O-CB 3.38Å; F819-S822 PolarHBondContact O-N 3.38Å; F819-S822 PolarHBondContact O-OG 2.73Å; L820-S822 PolarHBondContact O-N 2.76Å; S822-T824 PolarHBondContact O-N 3.46Å
823	V	87.3	Confident	86.9	Confident	5 Å²	5	20.9 Å²	20.9	3%	0.03	11%	0.106	C	C	.	.			trans	-69	125	177.4	174.9	0	0	0	0	109.1	T603 F819 L820 E825 Y826 F856 P858	T603-V823 VanDerWaalsContact OG1-C 3.23Å; T603-V823 PolarHBondContact OG1-O 3.03Å; F819-V823 HydrophobicContact CD1-CG2 4.24Å; F819-V823 HydrophobicContact CE1-CG2 3.91Å; F819-V823 HydrophobicContact CZ-CG2 4.1Å; F819-V823 PolarHBondContact O-N 3.49Å; L820-V823 PolarHBondContact O-N 3.13Å; V823-E825 WeakPolarHBondContact CG1-O 3.12Å; V823-Y826 HydrophobicContact CB-CE1 4.24Å; V823-Y826 HydrophobicContact CG1-CD1 3.72Å; V823-Y826 HydrophobicContact CG1-CE1 3.63Å; V823-F856 HydrophobicContact CG2-CE1 4.36Å; V823-P858 HydrophobicContact CG1-CB 3.69Å; V823-P858 HydrophobicContact CG2-CB 4.28Å
824	T	86.2	Confident	87.2	Confident	16 Å²	16	21.9 Å²	21.9	10%	0.098	11%	0.112	C	C	.	.			trans	-89.9	-22.9	-176.3	66.4	0	0	0	0	113.8	T603 K711 F719 S822	T603-T824 HydrophobicContact CG2-CG2 4.17Å; K711-T824 PolarHBondContact NZ-OG1 3.01Å; F719-T824 WeakPolarHBondContact CE2-O 3.38Å; S822-T824 PolarHBondContact O-N 3.46Å
825	E	88.5	Confident	87.3	Confident	27 Å²	27	18.4 Å²	18.4	13%	0.126	10%	0.095	C	C	.	.			trans	-158.4	153.1	171.7	57.3	170	163.6	0	0	110.5	Y683 K687 V823 N827	Y683-E825 PolarHBondContact OH-OE1 3.37Å; Y683-E825 PolarHBondContact OH-OE2 3.29Å; K687-E825 IonicContact NZ-OE1 2.65Å; K687-E825 PolarHBondContact NZ-OE1 2.93Å; K687-E825 IonicContact NZ-OE2 3.28Å; K687-E825 PolarHBondContact NZ-OE2 3.19Å; V823-E825 WeakPolarHBondContact CG1-O 3.12Å; E825-N827 HydrophobicContact CG-CB 4.14Å; E825-N827 PolarHBondContact O-N 3.49Å; E825-N827 PolarHBondContact OE1-ND2 3.43Å
826	Y	91.6	Very high	87.4	Confident	3 Å²	3	17 Å²	17	1%	0.012	9%	0.087	C	C	.	.			trans	-91.2	85.4	165.9	-58.8	-35.9	0	0	0	108.5	R339 F719 I792 H793 M796 V823 F856	R339-Y826 PolarHBondContact NH1-O 2.87Å; F719-Y826 HydrophobicContact CD1-CE2 4.45Å; F719-Y826 HydrophobicContact CE1-CD2 4.27Å; F719-Y826 HydrophobicContact CE1-CE1 4.25Å; F719-Y826 AromaticContact CE1-CE2 3.64Å; F719-Y826 HydrophobicContact CE1-CE2 3.64Å; F719-Y826 AromaticContact CE1-CZ 3.64Å; F719-Y826 HydrophobicContact CZ-CE1 4.41Å; F719-Y826 HydrophobicContact CZ-CE2 4.31Å; I792-Y826 HydrophobicContact CG2-CD2 3.88Å; I792-Y826 HydrophobicContact CG2-CG 3.88Å; H793-Y826 HydrophobicContact CB-CD2 4.5Å; H793-Y826 HydrophobicContact CB-CE2 4.48Å; H793-Y826 AromaticContact CD2-CD2 3.99Å; H793-Y826 AromaticContact CE1-CD2 3.4Å; H793-Y826 VanDerWaalsContact CE1-CD2 3.4Å; H793-Y826 WeakPolarHBondContact CE1-CD2 3.26Å; H793-Y826 AromaticContact CE1-CE2 3.75Å; H793-Y826 AromaticContact CG-CD2 3.71Å; H793-Y826 AromaticContact CG-CE2 3.94Å; H793-Y826 AromaticContact ND1-CD2 3.35Å; H793-Y826 VanDerWaalsContact ND1-CD2 3.35Å; H793-Y826 WeakPolarHBondContact ND1-CD2 3.33Å; H793-Y826 AromaticContact ND1-CE2 3.32Å; H793-Y826 VanDerWaalsContact ND1-CE2 3.32Å; H793-Y826 WeakPolarHBondContact ND1-CE2 3.4Å; H793-Y826 AromaticContact NE2-CD2 3.8Å; M796-Y826 HydrophobicContact CB-CE2 3.96Å; M796-Y826 WeakPolarHBondContact CB-OH 3.3Å; M796-Y826 HydrophobicContact CG-CE1 4.23Å; M796-Y826 HydrophobicContact CG-CE2 3.95Å; V823-Y826 HydrophobicContact CB-CE1 4.24Å; V823-Y826 HydrophobicContact CG1-CD1 3.72Å; V823-Y826 HydrophobicContact CG1-CE1 3.63Å; Y826-F856 HydrophobicContact CD1-CE1 4.41Å; Y826-F856 HydrophobicContact CD1-CE2 4.49Å; Y826-F856 AromaticContact CD1-CZ 3.6Å; Y826-F856 HydrophobicContact CD1-CZ 3.6Å; Y826-F856 HydrophobicContact CE1-CE1 4.08Å; Y826-F856 HydrophobicContact CE1-CE2 4.49Å; Y826-F856 AromaticContact CE1-CZ 3.53Å; Y826-F856 HydrophobicContact CE1-CZ 3.53Å
827	N	90.6	Very high	87.3	Confident	3 Å²	3	17 Å²	17	2%	0.016	9%	0.087	C	C	.	.			trans	-73.2	179.3	-170.1	-155.7	-3.7	0	0	0	112.2	R339 K687 E825 A830 P858 A860	R339-N827 WeakPolarHBondContact CD-O 3.3Å; R339-N827 PolarHBondContact NH1-O 3.43Å; R339-N827 VanDerWaalsContact NH1-O 3.1Å; K687-N827 PolarHBondContact NZ-ND2 3.25Å; K687-N827 PolarHBondContact NZ-OD1 3.46Å; E825-N827 HydrophobicContact CG-CB 4.14Å; E825-N827 PolarHBondContact O-N 3.49Å; E825-N827 PolarHBondContact OE1-ND2 3.43Å; N827-A830 WeakPolarHBondContact O-CB 3.48Å; N827-A830 PolarHBondContact O-N 2.93Å; N827-A830 VanDerWaalsContact O-N 3.15Å; N827-P858 PolarHBondContact N-O 3.25Å; N827-A860 VanDerWaalsContact CB-O 3.29Å; N827-A860 WeakPolarHBondContact CB-O 3.45Å; N827-A860 PolarHBondContact ND2-O 3.45Å
828	Y	91.9	Very high	87.2	Confident	10 Å²	10	15.4 Å²	15.4	4%	0.039	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	145.6	-177.1	-63.7	-56	0	0	0	110.6	H340 G341 D342 R343 A830 G859 A860	H340-Y828 AromaticContact CE1-CE1 3.99Å; G341-Y828 WeakPolarHBondContact O-CD1 3.37Å; D342-Y828 HydrophobicContact CB-CD2 3.64Å; D342-Y828 HydrophobicContact CB-CE2 3.76Å; D342-Y828 HydrophobicContact CB-CG 4.12Å; D342-Y828 WeakPolarHBondContact OD1-CE2 3.5Å; D342-Y828 PolarHBondContact OD1-OH 3.39Å; R343-Y828 HydrophobicContact CG-CE1 3.94Å; Y828-A830 PolarHBondContact O-N 2.9Å; Y828-A830 VanDerWaalsContact O-N 3.12Å; Y828-G859 CarbonylContact O-C 3.59Å; Y828-G859 VanDerWaalsContact O-CA 3.3Å; Y828-G859 WeakPolarHBondContact O-CA 3.46Å; Y828-A860 PolarHBondContact O-N 3.42Å
829	M	91.4	Very high	86.9	Confident	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	3.4	-175.1	-57.1	-53.9	-56.9	0	0	116.6	I338 R339 H340 G341 Q477 A478 L481 T529 F533 Q831	I338-M829 HydrophobicContact CG2-CE 3.73Å; R339-M829 WeakPolarHBondContact O-CA 3.42Å; H340-M829 PolarHBondContact O-N 2.93Å; G341-M829 VanDerWaalsContact CA-SD 3.56Å; Q477-M829 HydrophobicContact CB-CG 3.84Å; A478-M829 HydrophobicContact CB-CE 4.03Å; A478-M829 HydrophobicContact CB-SD 3.97Å; L481-M829 HydrophobicContact CB-CE 4.12Å; L481-M829 HydrophobicContact CD2-CB 4.21Å; L481-M829 HydrophobicContact CD2-CE 3.41Å; L481-M829 VanDerWaalsContact CD2-CE 3.41Å; L481-M829 HydrophobicContact CG-CE 4.4Å; T529-M829 HydrophobicContact CG2-CE 4.04Å; T529-M829 HydrophobicContact CG2-SD 3.63Å; F533-M829 HydrophobicContact CD2-CE 4.35Å; M829-Q831 PolarHBondContact O-N 3.49Å; M829-Q831 PolarHBondContact O-OE1 3.33Å
830	A	91.1	Very high	86.3	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.			trans	-47.5	137.3	174.9	0	0	0	0	0	112.1	R339 I792 N827 Y828 S857 P858	R339-A830 HydrophobicContact CB-CB 4.32Å; R339-A830 PolarHBondContact N-O 3.23Å; I792-A830 HydrophobicContact CG2-CB 4.47Å; N827-A830 WeakPolarHBondContact O-CB 3.48Å; N827-A830 PolarHBondContact O-N 2.93Å; N827-A830 VanDerWaalsContact O-N 3.15Å; Y828-A830 PolarHBondContact O-N 2.9Å; Y828-A830 VanDerWaalsContact O-N 3.12Å; A830-S857 WeakPolarHBondContact CA-O 3.4Å; A830-P858 WeakPolarHBondContact CB-O 3.31Å
831	Q	90.6	Very high	85.8	Confident	6 Å²	6	18.8 Å²	18.8	3%	0.028	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.8	-167.3	69.7	-81.6	24.8	0	0	113.4	I337 I338 M829 V833 F856 S857	I337-Q831 CarbonylContact O-C 3.42Å; I337-Q831 WeakPolarHBondContact O-CA 3.41Å; I338-Q831 HydrophobicContact CG1-CB 4.16Å; I338-Q831 HydrophobicContact CG2-CB 4.45Å; M829-Q831 PolarHBondContact O-N 3.49Å; M829-Q831 PolarHBondContact O-OE1 3.33Å; Q831-V833 HydrophobicContact CG-CG2 4.37Å; Q831-F856 CarbonylContact O-C 3.51Å; Q831-F856 WeakPolarHBondContact O-CA 3.43Å; Q831-F856 WeakPolarHBondContact O-CD2 3.49Å; Q831-S857 VanDerWaalsContact CD-CB 3.5Å; Q831-S857 PolarHBondContact N-O 2.83Å; Q831-S857 PolarHBondContact NE2-OG 2.98Å; Q831-S857 PolarHBondContact O-N 3.48Å; Q831-S857 PolarHBondContact OE1-OG 3.28Å
832	M	89.9	Confident	85.3	Confident	12 Å²	12	20.5 Å²	20.5	6%	0.059	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.9	169	179.8	-171.7	169.8	0	0	107.9	A336 I337 L795 M796 V799 L834 L854 H855 F856	A336-M832 CarbonylContact C-O 3.56Å; A336-M832 VanDerWaalsContact CA-O 3.25Å; A336-M832 WeakPolarHBondContact CA-O 3.27Å; I337-M832 HydrophobicContact CD1-CB 4.46Å; I337-M832 HydrophobicContact CD1-SD 4.36Å; I337-M832 PolarHBondContact N-O 2.83Å; I337-M832 PolarHBondContact O-N 3.17Å; L795-M832 HydrophobicContact CB-SD 4.22Å; L795-M832 HydrophobicContact CD1-SD 4.32Å; M796-M832 HydrophobicContact CE-CB 3.82Å; M796-M832 HydrophobicContact CE-CG 3.83Å; M796-M832 HydrophobicContact CE-SD 3.49Å; M796-M832 WeakPolarHBondContact CE-SD 3.37Å; V799-M832 HydrophobicContact CG2-CE 3.82Å; V799-M832 HydrophobicContact CG2-SD 4.4Å; M832-L834 HydrophobicContact CE-CD1 4.01Å; M832-L834 HydrophobicContact CE-CD2 4.4Å; M832-L834 HydrophobicContact CE-CG 4.32Å; M832-L854 HydrophobicContact CE-CD1 3.26Å; M832-L854 HydrophobicContact CE-CD2 4.15Å; M832-L854 HydrophobicContact CE-CG 4.35Å; M832-L854 HydrophobicContact CG-CD1 3.66Å; M832-L854 HydrophobicContact SD-CD1 4.25Å; M832-H855 CarbonylContact C-O 3.51Å; M832-H855 WeakPolarHBondContact CA-O 3.33Å; M832-F856 HydrophobicContact CB-CD2 4.46Å
833	V	87.7	Confident	84.9	Confident	10 Å²	10	23.8 Å²	23.8	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124	-176.9	-175.4	0	0	0	0	109.3	V334 L335 A336 F487 L491 Q831 M835 H855	V334-V833 HydrophobicContact CG1-CG1 4.17Å; L335-V833 CarbonylContact O-C 3.58Å; L335-V833 WeakPolarHBondContact O-CA 3.1Å; A336-V833 HydrophobicContact CB-CB 4.47Å; A336-V833 HydrophobicContact CB-CG1 4.42Å; A336-V833 HydrophobicContact CB-CG2 3.96Å; F487-V833 HydrophobicContact CE2-CG2 4.4Å; F487-V833 HydrophobicContact CZ-CG2 4.12Å; L491-V833 HydrophobicContact CD2-CG1 3.79Å; Q831-V833 HydrophobicContact CG-CG2 4.37Å; V833-M835 HydrophobicContact CG1-CG 4.05Å; V833-H855 HydrophobicContact CB-CB 4.3Å; V833-H855 PolarHBondContact N-O 3.5Å; V833-H855 PolarHBondContact O-N 3.41Å
834	L	87.1	Confident	84.1	Confident	27 Å²	27	28 Å²	28	14%	0.141	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.7	170.8	-56.2	95	0	0	0	109.1	V334 L335 I337 M832 E853 L854	V334-L834 WeakPolarHBondContact CA-O 3.34Å; L335-L834 HydrophobicContact CB-CB 4.28Å; L335-L834 HydrophobicContact CB-CD1 4.18Å; L335-L834 PolarHBondContact N-O 3.07Å; L335-L834 PolarHBondContact O-N 2.93Å; I337-L834 HydrophobicContact CD1-CD1 3.88Å; M832-L834 HydrophobicContact CE-CD1 4.01Å; M832-L834 HydrophobicContact CE-CD2 4.4Å; M832-L834 HydrophobicContact CE-CG 4.32Å; L834-E853 CarbonylContact C-O 3.49Å; L834-E853 WeakPolarHBondContact CA-O 3.43Å; L834-L854 HydrophobicContact CD1-CD1 4.44Å; L834-L854 HydrophobicContact CD2-CD1 4.29Å; L834-L854 HydrophobicContact CG-CD1 3.8Å
835	M	83.8	Confident	83.6	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.4	177.7	-61.6	-169.3	-76.6	0	0	109.7	L331 C333 V334 V490 L491 V833 Y837 V852 E853 H855	L331-M835 HydrophobicContact CD1-CB 3.98Å; C333-M835 WeakPolarHBondContact O-CA 3.2Å; V334-M835 HydrophobicContact CG2-CG 4.48Å; V490-M835 HydrophobicContact CG1-CE 3.57Å; V490-M835 HydrophobicContact CG1-SD 4.21Å; V490-M835 WeakPolarHBondContact O-CE 3.33Å; L491-M835 HydrophobicContact CD2-CG 3.94Å; L491-M835 HydrophobicContact CD2-SD 3.57Å; L491-M835 VanDerWaalsContact CD2-SD 3.57Å; V833-M835 HydrophobicContact CG1-CG 4.05Å; M835-Y837 HydrophobicContact CB-CD2 4.43Å; M835-Y837 HydrophobicContact CB-CE2 3.63Å; M835-Y837 WeakPolarHBondContact CE-OH 3.43Å; M835-Y837 PolarHBondContact SD-OH 3.06Å; M835-V852 CarbonylContact O-C 3.45Å; M835-V852 VanDerWaalsContact O-CA 3.3Å; M835-V852 WeakPolarHBondContact O-CA 3.35Å; M835-E853 HydrophobicContact CB-CB 4.39Å; M835-E853 HydrophobicContact CE-CB 4.27Å; M835-E853 WeakPolarHBondContact CE-OE2 3.35Å; M835-E853 PolarHBondContact N-O 2.78Å; M835-E853 PolarHBondContact O-N 2.9Å; M835-H855 WeakPolarHBondContact CE-CD2 3.27Å; M835-H855 WeakPolarHBondContact CE-NE2 3.47Å
836	L	84.6	Confident	82.9	Confident	9 Å²	9	38.3 Å²	38.3	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.5	176.6	178.7	68.7	0	0	0	109	R332 C333 L748 C751 F850 V852	R332-L836 PolarHBondContact N-O 3.28Å; C333-L836 HydrophobicContact CB-CB 3.84Å; C333-L836 HydrophobicContact CB-CD2 4.2Å; C333-L836 PolarHBondContact N-O 3.48Å; C333-L836 PolarHBondContact O-N 2.93Å; L748-L836 HydrophobicContact CD2-CB 4.48Å; L748-L836 HydrophobicContact CD2-CD2 4.5Å; C751-L836 HydrophobicContact CB-CD2 4.02Å; L836-F850 HydrophobicContact CD1-CB 4.09Å; L836-F850 HydrophobicContact CD1-CD1 3.92Å; L836-F850 HydrophobicContact CD1-CG 4.35Å; L836-F850 HydrophobicContact CD2-CD1 4.44Å; L836-F850 HydrophobicContact CG-CD1 4.26Å; L836-V852 HydrophobicContact CD1-CG2 3.58Å
837	Y	80.6	Confident	81.8	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.1	175.2	-55.9	-90.5	0	0	0	110.5	V321 T323 E330 L331 M835 F850 H851 E853	V321-Y837 HydrophobicContact CB-CD1 4.33Å; V321-Y837 HydrophobicContact CB-CE1 3.75Å; V321-Y837 HydrophobicContact CG1-CE1 3.69Å; V321-Y837 HydrophobicContact CG2-CE1 4.27Å; T323-Y837 HydrophobicContact CG2-CD1 4.28Å; T323-Y837 HydrophobicContact CG2-CD2 4.31Å; T323-Y837 HydrophobicContact CG2-CG 4.03Å; E330-Y837 CarbonylContact O-C 3.54Å; E330-Y837 VanDerWaalsContact O-CA 3.25Å; E330-Y837 WeakPolarHBondContact O-CA 3.45Å; L331-Y837 HydrophobicContact CB-CD1 4.05Å; L331-Y837 HydrophobicContact CB-CE1 4.04Å; L331-Y837 HydrophobicContact CD1-CD1 3.85Å; L331-Y837 HydrophobicContact CD1-CE1 3.51Å; L331-Y837 HydrophobicContact CD1-CE2 4.38Å; L331-Y837 HydrophobicContact CD1-CG 4.42Å; L331-Y837 HydrophobicContact CG-CE1 4.36Å; M835-Y837 HydrophobicContact CB-CD2 4.43Å; M835-Y837 HydrophobicContact CB-CE2 3.63Å; M835-Y837 WeakPolarHBondContact CE-OH 3.43Å; M835-Y837 PolarHBondContact SD-OH 3.06Å; Y837-F850 WeakPolarHBondContact O-CA 3.48Å; Y837-H851 AromaticContact CD2-CD2 3.71Å; Y837-H851 PolarHBondContact N-O 2.78Å; Y837-H851 PolarHBondContact O-N 2.57Å; Y837-E853 HydrophobicContact CD2-CG 4.23Å; Y837-E853 HydrophobicContact CE2-CB 4.03Å; Y837-E853 HydrophobicContact CE2-CG 3.65Å; Y837-E853 WeakPolarHBondContact CE2-OE2 3.35Å; Y837-E853 PolarHBondContact OH-OE2 3.22Å; Y837-E853 VanDerWaalsContact OH-OE2 3.14Å
838	E	79.6	Confident	81	Confident	7 Å²	7	44.7 Å²	44.7	3%	0.033	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.8	176.8	-173.6	179.5	137.8	0	0	110.4	E330 R332 R849 F850	E330-E838 PolarHBondContact N-O 3.36Å; E330-E838 PolarHBondContact O-N 2.97Å; R332-E838 HydrophobicContact CG-CB 3.64Å; R332-E838 IonicContact CZ-OE1 2.84Å; R332-E838 IonicContact CZ-OE2 3.93Å; R332-E838 IonicContact NE-OE2 2.67Å; R332-E838 VanDerWaalsContact NH1-CD 3.3Å; R332-E838 IonicContact NH1-OE1 2.81Å; R332-E838 PolarHBondContact NH1-OE1 3.03Å; R332-E838 IonicContact NH1-OE2 3.13Å; R332-E838 PolarHBondContact NH1-OE2 3.29Å; R332-E838 IonicContact NH2-OE1 2.69Å; R332-E838 PolarHBondContact NH2-OE1 2.94Å; R332-E838 IonicContact NH2-OE2 3.97Å; R332-E838 PolarHBondContact NH2-OE2 2.97Å; E838-R849 WeakPolarHBondContact CA-O 3.5Å; E838-R849 VanDerWaalsContact CD-NH2 3.31Å; E838-R849 HydrophobicContact CG-CG 3.95Å; E838-R849 IonicContact OE1-CZ 3.91Å; E838-R849 IonicContact OE1-NE 3.23Å; E838-R849 PolarHBondContact OE1-NE 3.29Å; E838-R849 IonicContact OE1-NH2 2.85Å; E838-R849 PolarHBondContact OE1-NH2 3Å; E838-R849 IonicContact OE2-NH2 2.68Å; E838-F850 HydrophobicContact CB-CD1 3.96Å; E838-F850 HydrophobicContact CB-CE1 3.8Å; E838-F850 HydrophobicContact CG-CD1 4.07Å; E838-F850 HydrophobicContact CG-CE1 3.64Å; E838-F850 HydrophobicContact CG-CZ 4.13Å; E838-F850 WeakPolarHBondContact OE2-CE1 3.3Å
839	D	78.7	Confident	80.3	Confident	33 Å²	33	46.3 Å²	46.3	18%	0.176	25%	0.245	C	C	.	.			trans	-90.5	104.7	166.1	-174.1	-11.8	0	0	0	108.6	M329 A841 K842 R849	M329-D839 HydrophobicContact CE-CB 3.79Å; M329-D839 VanDerWaalsContact CE-N 3.27Å; M329-D839 HydrophobicContact CG-CB 4.25Å; D839-A841 PolarHBondContact O-N 3.44Å; D839-A841 WeakPolarHBondContact OD1-CB 3.26Å; D839-A841 PolarHBondContact OD1-N 3.31Å; D839-K842 HydrophobicContact CB-CD 4.21Å; D839-K842 HydrophobicContact CB-CG 4.25Å; D839-K842 PolarHBondContact O-N 2.96Å; D839-K842 WeakPolarHBondContact OD2-CE 3.36Å; D839-R849 PolarHBondContact N-O 2.92Å
840	T	71.9	Confident	79.8	Confident	75 Å²	75	47.4 Å²	47.4	46%	0.46	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12	-178.1	46.4	0	0	0	0	113.6	E330 K842	E330-T840 VanDerWaalsContact CD-CG2 3.49Å; E330-T840 HydrophobicContact CG-CG2 4.35Å; E330-T840 VanDerWaalsContact OE2-CG2 3.24Å; E330-T840 WeakPolarHBondContact OE2-CG2 3.19Å; T840-K842 VanDerWaalsContact C-N 3.31Å
841	A	75.7	Confident	79.3	Confident	94 Å²	94	47.4 Å²	47.4	78%	0.777	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.3	176.7	0	0	0	0	0	112.8	D839	D839-A841 PolarHBondContact O-N 3.44Å; D839-A841 WeakPolarHBondContact OD1-CB 3.26Å; D839-A841 PolarHBondContact OD1-N 3.31Å
842	K	78	Confident	78.9	Confident	60 Å²	60	48.9 Å²	48.9	26%	0.261	26%	0.26	S	S	.	.	S	Bend	trans	-88.9	157.7	-179.9	-69.5	-172.9	-176.5	178.8	0	112.9	D839 T840 A846 D848 R849	D839-K842 HydrophobicContact CB-CD 4.21Å; D839-K842 HydrophobicContact CB-CG 4.25Å; D839-K842 PolarHBondContact O-N 2.96Å; D839-K842 WeakPolarHBondContact OD2-CE 3.36Å; T840-K842 VanDerWaalsContact C-N 3.31Å; K842-A846 HydrophobicContact CB-CB 4.24Å; K842-D848 PolarHBondContact NZ-O 2.88Å; K842-D848 IonicContact NZ-OD1 3.02Å; K842-D848 PolarHBondContact NZ-OD1 2.96Å; K842-D848 IonicContact NZ-OD2 2.95Å; K842-D848 PolarHBondContact NZ-OD2 3.21Å; K842-R849 HydrophobicContact CB-CB 4.47Å
843	D	76.5	Confident	78.5	Confident	99 Å²	99	48.7 Å²	48.7	53%	0.529	26%	0.258	S	S	.	.			trans	-55.2	137.2	174.6	-173	-72.4	0	0	0	110.6	R845 A846	D843-R845 PolarHBondContact O-N 3.3Å; D843-R845 WeakPolarHBondContact OD1-CA 3.47Å; D843-R845 VanDerWaalsContact OD1-CB 3.25Å; D843-R845 WeakPolarHBondContact OD1-CB 3.49Å; D843-R845 PolarHBondContact OD1-N 3.19Å; D843-A846 HydrophobicContact CB-CB 4.27Å; D843-A846 VanDerWaalsContact O-CB 3.25Å; D843-A846 WeakPolarHBondContact O-CB 3.19Å; D843-A846 PolarHBondContact O-N 2.98Å
844	P	71.2	Confident	78.4	Confident	93 Å²	93	48.6 Å²	48.6	60%	0.604	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-24.6	178.8	-28.8	35.8	0	0	0	115.3	R849	P844-R849 VanDerWaalsContact CA-NH1 3.29Å; P844-R849 PolarHBondContact O-NH1 3.07Å
845	R	74	Confident	78.2	Confident	231 Å²	231	48.4 Å²	48.4	87%	0.872	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-4.1	178.4	-55.6	177.5	177.2	176.6	0.1	113.5	D843 E847	D843-R845 PolarHBondContact O-N 3.3Å; D843-R845 WeakPolarHBondContact OD1-CA 3.47Å; D843-R845 VanDerWaalsContact OD1-CB 3.25Å; D843-R845 WeakPolarHBondContact OD1-CB 3.49Å; D843-R845 PolarHBondContact OD1-N 3.19Å; R845-E847 PolarHBondContact O-N 3.05Å
846	A	75	Confident	78.3	Confident	28 Å²	28	48.4 Å²	48.4	23%	0.231	26%	0.256	C	S	.	.			trans	-64.1	127.6	178	0	0	0	0	0	110.2	K842 D843 D848 R849	K842-A846 HydrophobicContact CB-CB 4.24Å; D843-A846 HydrophobicContact CB-CB 4.27Å; D843-A846 VanDerWaalsContact O-CB 3.25Å; D843-A846 WeakPolarHBondContact O-CB 3.19Å; D843-A846 PolarHBondContact O-N 2.98Å; A846-D848 VanDerWaalsContact C-N 3.28Å; A846-D848 PolarHBondContact O-N 2.92Å; A846-R849 HydrophobicContact CB-CB 4.29Å; A846-R849 WeakPolarHBondContact O-CB 3.47Å; A846-R849 PolarHBondContact O-N 3.12Å
847	E	67.2	Low	78.4	Confident	92 Å²	92	48 Å²	48	43%	0.43	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-62.5	-39.4	179.1	-63	-168.9	161	0	0	110.3	R845 R849 T894 G896 K897	R845-E847 PolarHBondContact O-N 3.05Å; E847-R849 PolarHBondContact O-N 3.42Å; E847-T894 CarbonylContact C-O 3.58Å; E847-T894 VanDerWaalsContact CB-O 3.22Å; E847-T894 WeakPolarHBondContact CB-O 3.45Å; E847-T894 WeakPolarHBondContact O-CB 3.21Å; E847-T894 PolarHBondContact O-OG1 3.33Å; E847-G896 WeakPolarHBondContact OE2-CA 3.31Å; E847-G896 PolarHBondContact OE2-N 3.24Å; E847-K897 PolarHBondContact OE1-N 3.03Å; E847-K897 PolarHBondContact OE2-N 3.38Å
848	D	73.8	Confident	78.7	Confident	49 Å²	49	48.2 Å²	48.2	26%	0.262	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-86.8	19.5	-177.8	74	-21.4	0	0	0	114.2	K842 A846 F850 T894 Q895	K842-D848 PolarHBondContact NZ-O 2.88Å; K842-D848 IonicContact NZ-OD1 3.02Å; K842-D848 PolarHBondContact NZ-OD1 2.96Å; K842-D848 IonicContact NZ-OD2 2.95Å; K842-D848 PolarHBondContact NZ-OD2 3.21Å; A846-D848 VanDerWaalsContact C-N 3.28Å; A846-D848 PolarHBondContact O-N 2.92Å; D848-F850 VanDerWaalsContact C-N 3.34Å; D848-T894 PolarHBondContact N-O 3.46Å; D848-Q895 HydrophobicContact CB-CG 4.41Å
849	R	77.6	Confident	79	Confident	43 Å²	43	48 Å²	48	16%	0.162	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-67.2	-34.5	171.6	175.8	175.8	171.8	-154.2	-0.5	112.2	M329 E838 D839 K842 P844 A846 E847	M329-R849 WeakPolarHBondContact CE-O 3.23Å; E838-R849 WeakPolarHBondContact CA-O 3.5Å; E838-R849 VanDerWaalsContact CD-NH2 3.31Å; E838-R849 HydrophobicContact CG-CG 3.95Å; E838-R849 IonicContact OE1-CZ 3.91Å; E838-R849 IonicContact OE1-NE 3.23Å; E838-R849 PolarHBondContact OE1-NE 3.29Å; E838-R849 IonicContact OE1-NH2 2.85Å; E838-R849 PolarHBondContact OE1-NH2 3Å; E838-R849 IonicContact OE2-NH2 2.68Å; D839-R849 PolarHBondContact N-O 2.92Å; K842-R849 HydrophobicContact CB-CB 4.47Å; P844-R849 VanDerWaalsContact CA-NH1 3.29Å; P844-R849 PolarHBondContact O-NH1 3.07Å; A846-R849 HydrophobicContact CB-CB 4.29Å; A846-R849 WeakPolarHBondContact O-CB 3.47Å; A846-R849 PolarHBondContact O-N 3.12Å; E847-R849 PolarHBondContact O-N 3.42Å
850	F	82.3	Confident	79.2	Confident	24 Å²	24	46.7 Å²	46.7	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.2	-177.4	-66.2	-79.7	0	0	0	111.7	I752 L836 Y837 E838 D848 T894	I752-F850 HydrophobicContact CG1-CZ 4.37Å; I752-F850 HydrophobicContact CG2-CE2 4.34Å; I752-F850 HydrophobicContact CG2-CZ 4.42Å; L836-F850 HydrophobicContact CD1-CB 4.09Å; L836-F850 HydrophobicContact CD1-CD1 3.92Å; L836-F850 HydrophobicContact CD1-CG 4.35Å; L836-F850 HydrophobicContact CD2-CD1 4.44Å; L836-F850 HydrophobicContact CG-CD1 4.26Å; Y837-F850 WeakPolarHBondContact O-CA 3.48Å; E838-F850 HydrophobicContact CB-CD1 3.96Å; E838-F850 HydrophobicContact CB-CE1 3.8Å; E838-F850 HydrophobicContact CG-CD1 4.07Å; E838-F850 HydrophobicContact CG-CE1 3.64Å; E838-F850 HydrophobicContact CG-CZ 4.13Å; E838-F850 WeakPolarHBondContact OE2-CE1 3.3Å; D848-F850 VanDerWaalsContact C-N 3.34Å; F850-T894 PolarHBondContact O-OG1 3.48Å
851	H	79.5	Confident	79.2	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.9	176.1	174.6	75.3	0	0	0	108.8	Y325 M329 Y837 E853 T892	Y325-H851 AromaticContact CD2-CE1 3.42Å; Y325-H851 VanDerWaalsContact CD2-CE1 3.42Å; Y325-H851 WeakPolarHBondContact CD2-CE1 3.35Å; Y325-H851 AromaticContact CD2-ND1 3.86Å; Y325-H851 AromaticContact CE2-CE1 3.35Å; Y325-H851 WeakPolarHBondContact CE2-CE1 3.25Å; Y325-H851 AromaticContact CE2-ND1 3.81Å; M329-H851 HydrophobicContact CE-CB 3.61Å; M329-H851 HydrophobicContact SD-CB 3.68Å; Y837-H851 AromaticContact CD2-CD2 3.71Å; Y837-H851 PolarHBondContact N-O 2.78Å; Y837-H851 PolarHBondContact O-N 2.57Å; H851-E853 IonicContact CD2-OE1 2.96Å; H851-E853 WeakPolarHBondContact NE2-CG 3.45Å; H851-E853 IonicContact NE2-OE1 3.24Å; H851-E853 PolarHBondContact NE2-OE1 3.43Å; H851-T892 WeakPolarHBondContact CA-O 3.35Å; H851-T892 PolarHBondContact ND1-O 3.06Å
852	V	82	Confident	78.8	Confident	37 Å²	37	42.7 Å²	42.7	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.2	179.3	-180	0	0	0	0	109.4	M835 L836 A891 T892	M835-V852 CarbonylContact O-C 3.45Å; M835-V852 VanDerWaalsContact O-CA 3.3Å; M835-V852 WeakPolarHBondContact O-CA 3.35Å; L836-V852 HydrophobicContact CD1-CG2 3.58Å; V852-A891 VanDerWaalsContact O-CA 3.31Å; V852-A891 WeakPolarHBondContact O-CA 3.29Å; V852-T892 PolarHBondContact N-O 3.48Å; V852-T892 PolarHBondContact O-N 3.28Å
853	E	82.3	Confident	78.2	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.5	170.6	-64.1	-179.5	178.5	0	0	109.9	T324 L834 M835 Y837 H851 H855 L888 A891	T324-E853 HydrophobicContact CG2-CG 4.43Å; T324-E853 VanDerWaalsContact CG2-OE1 3.27Å; T324-E853 WeakPolarHBondContact CG2-OE1 3.49Å; T324-E853 PolarHBondContact N-OE1 2.8Å; T324-E853 PolarHBondContact OG1-OE1 2.73Å; L834-E853 CarbonylContact C-O 3.49Å; L834-E853 WeakPolarHBondContact CA-O 3.43Å; M835-E853 HydrophobicContact CB-CB 4.39Å; M835-E853 HydrophobicContact CE-CB 4.27Å; M835-E853 WeakPolarHBondContact CE-OE2 3.35Å; M835-E853 PolarHBondContact N-O 2.78Å; M835-E853 PolarHBondContact O-N 2.9Å; Y837-E853 HydrophobicContact CD2-CG 4.23Å; Y837-E853 HydrophobicContact CE2-CB 4.03Å; Y837-E853 HydrophobicContact CE2-CG 3.65Å; Y837-E853 WeakPolarHBondContact CE2-OE2 3.35Å; Y837-E853 PolarHBondContact OH-OE2 3.22Å; Y837-E853 VanDerWaalsContact OH-OE2 3.14Å; H851-E853 IonicContact CD2-OE1 2.96Å; H851-E853 WeakPolarHBondContact NE2-CG 3.45Å; H851-E853 IonicContact NE2-OE1 3.24Å; H851-E853 PolarHBondContact NE2-OE1 3.43Å; E853-H855 IonicContact OE2-NE2 2.6Å; E853-H855 PolarHBondContact OE2-NE2 3.41Å; E853-L888 HydrophobicContact CB-CD1 3.76Å; E853-L888 HydrophobicContact CG-CD1 4.13Å; E853-A891 HydrophobicContact CG-CB 4.4Å
854	L	84.4	Confident	77.6	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.6	175.7	174.8	63.1	0	0	0	109.1	V799 L804 M832 L834 L888 L889 C890	V799-L854 HydrophobicContact CG1-CD2 4.1Å; V799-L854 HydrophobicContact CG2-CD2 4.32Å; L804-L854 HydrophobicContact CD2-CD2 4.44Å; M832-L854 HydrophobicContact CE-CD1 3.26Å; M832-L854 HydrophobicContact CE-CD2 4.15Å; M832-L854 HydrophobicContact CE-CG 4.35Å; M832-L854 HydrophobicContact CG-CD1 3.66Å; M832-L854 HydrophobicContact SD-CD1 4.25Å; L834-L854 HydrophobicContact CD1-CD1 4.44Å; L834-L854 HydrophobicContact CD2-CD1 4.29Å; L834-L854 HydrophobicContact CG-CD1 3.8Å; L854-L888 CarbonylContact O-C 3.6Å; L854-L888 WeakPolarHBondContact O-CA 3.44Å; L854-L889 HydrophobicContact CB-CB 4.42Å; L854-L889 HydrophobicContact CD2-CB 3.98Å; L854-L889 HydrophobicContact CD2-CD1 3.88Å; L854-L889 HydrophobicContact CG-CB 3.96Å; L854-L889 HydrophobicContact CG-CD1 4Å; L854-L889 HydrophobicContact CG-CG 4.37Å; L854-L889 PolarHBondContact O-N 3.3Å; L854-C890 HydrophobicContact CB-CB 4.36Å; L854-C890 PolarHBondContact N-O 2.75Å; L854-C890 PolarHBondContact O-N 3.18Å
855	H	83.4	Confident	76.8	Confident	23 Å²	23	41.1 Å²	41.1	11%	0.106	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.4	179.2	-64.9	-107.9	0	0	0	110.7	V490 M832 V833 M835 E853 I887 L888	V490-H855 HydrophobicContact CG1-CB 4.5Å; M832-H855 CarbonylContact C-O 3.51Å; M832-H855 WeakPolarHBondContact CA-O 3.33Å; V833-H855 HydrophobicContact CB-CB 4.3Å; V833-H855 PolarHBondContact N-O 3.5Å; V833-H855 PolarHBondContact O-N 3.41Å; M835-H855 WeakPolarHBondContact CE-CD2 3.27Å; M835-H855 WeakPolarHBondContact CE-NE2 3.47Å; E853-H855 IonicContact OE2-NE2 2.6Å; E853-H855 PolarHBondContact OE2-NE2 3.41Å; H855-I887 CarbonylContact C-O 3.25Å; H855-I887 VanDerWaalsContact CA-O 3.3Å; H855-I887 WeakPolarHBondContact CA-O 3.41Å; H855-L888 VanDerWaalsContact NE2-CD1 3.26Å; H855-L888 WeakPolarHBondContact NE2-CD1 3.38Å
856	F	86.7	Confident	75.7	Confident	1 Å²	1	32 Å²	32	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.6	177.3	173.8	-102.7	0	0	0	111.4	I792 M796 F819 L820 V823 Y826 Q831 M832 P858 C886 I887 L889	I792-F856 HydrophobicContact CG2-CE2 4.28Å; M796-F856 HydrophobicContact CE-CD2 3.67Å; M796-F856 HydrophobicContact CE-CE2 3.96Å; M796-F856 HydrophobicContact CG-CD2 4.42Å; M796-F856 HydrophobicContact CG-CE2 3.9Å; M796-F856 HydrophobicContact CG-CZ 4.24Å; M796-F856 HydrophobicContact SD-CD1 4.41Å; M796-F856 HydrophobicContact SD-CD2 3.42Å; M796-F856 WeakPolarHBondContact SD-CD2 2.82Å; M796-F856 HydrophobicContact SD-CE1 4.49Å; M796-F856 HydrophobicContact SD-CE2 3.5Å; M796-F856 VanDerWaalsContact SD-CE2 3.5Å; M796-F856 HydrophobicContact SD-CG 3.91Å; M796-F856 HydrophobicContact SD-CZ 4.07Å; F819-F856 HydrophobicContact CE1-CD1 4.05Å; F819-F856 HydrophobicContact CE1-CE1 4.34Å; L820-F856 HydrophobicContact CD2-CD1 3.46Å; L820-F856 VanDerWaalsContact CD2-CD1 3.46Å; L820-F856 HydrophobicContact CD2-CE1 3.61Å; L820-F856 HydrophobicContact CD2-CG 4.2Å; L820-F856 HydrophobicContact CD2-CZ 4.44Å; V823-F856 HydrophobicContact CG2-CE1 4.36Å; Y826-F856 HydrophobicContact CD1-CE1 4.41Å; Y826-F856 HydrophobicContact CD1-CE2 4.49Å; Y826-F856 AromaticContact CD1-CZ 3.6Å; Y826-F856 HydrophobicContact CD1-CZ 3.6Å; Y826-F856 HydrophobicContact CE1-CE1 4.08Å; Y826-F856 HydrophobicContact CE1-CE2 4.49Å; Y826-F856 AromaticContact CE1-CZ 3.53Å; Y826-F856 HydrophobicContact CE1-CZ 3.53Å; Q831-F856 CarbonylContact O-C 3.51Å; Q831-F856 WeakPolarHBondContact O-CA 3.43Å; Q831-F856 WeakPolarHBondContact O-CD2 3.49Å; M832-F856 HydrophobicContact CB-CD2 4.46Å; F856-P858 HydrophobicContact CE1-CB 4.19Å; F856-P858 HydrophobicContact CZ-CB 4.36Å; F856-C886 CarbonylContact O-C 3.52Å; F856-C886 WeakPolarHBondContact O-CA 3.48Å; F856-I887 PolarHBondContact N-O 3.02Å; F856-I887 PolarHBondContact O-N 3.02Å; F856-L889 HydrophobicContact CB-CD1 3.53Å; F856-L889 HydrophobicContact CB-CD2 4.02Å; F856-L889 HydrophobicContact CB-CG 3.74Å; F856-L889 HydrophobicContact CG-CD1 4.35Å
857	S	86	Confident	74.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.2	167.2	161	0	0	0	0	109.8	A830 Q831 G859 V884 C886	A830-S857 WeakPolarHBondContact CA-O 3.4Å; Q831-S857 VanDerWaalsContact CD-CB 3.5Å; Q831-S857 PolarHBondContact N-O 2.83Å; Q831-S857 PolarHBondContact NE2-OG 2.98Å; Q831-S857 PolarHBondContact O-N 3.48Å; Q831-S857 PolarHBondContact OE1-OG 3.28Å; S857-G859 PolarHBondContact O-N 3.24Å; S857-G859 PolarHBondContact OG-N 3.42Å; S857-V884 PolarHBondContact OG-O 3Å; S857-C886 WeakPolarHBondContact CB-SG 3.27Å
858	P	87	Confident	73.1	Confident	8 Å²	8	37.1 Å²	37.1	5%	0.052	19%	0.194	C	C	.	.			trans	-76.4	3	179.2	33.5	-35.3	0	0	0	113	F819 V823 N827 A830 F856 V884	F819-P858 HydrophobicContact CZ-CG 4.3Å; V823-P858 HydrophobicContact CG1-CB 3.69Å; V823-P858 HydrophobicContact CG2-CB 4.28Å; N827-P858 PolarHBondContact N-O 3.25Å; A830-P858 WeakPolarHBondContact CB-O 3.31Å; F856-P858 HydrophobicContact CE1-CB 4.19Å; F856-P858 HydrophobicContact CZ-CB 4.36Å; P858-V884 HydrophobicContact CG-CB 3.61Å; P858-V884 HydrophobicContact CG-CG1 3.38Å; P858-V884 HydrophobicContact CG-CG2 4.01Å
859	G	86.4	Confident	71.7	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.196	C	C	.	.			trans	94.7	-150.6	173.4	0	0	0	0	0	114	Y828 S857 V884	Y828-G859 CarbonylContact O-C 3.59Å; Y828-G859 VanDerWaalsContact O-CA 3.3Å; Y828-G859 WeakPolarHBondContact O-CA 3.46Å; S857-G859 PolarHBondContact O-N 3.24Å; S857-G859 PolarHBondContact OG-N 3.42Å; G859-V884 WeakPolarHBondContact O-CB 3.29Å; G859-V884 WeakPolarHBondContact O-CG2 3.4Å; G859-V884 PolarHBondContact O-N 3.35Å
860	A	81.8	Confident	69.7	Low	6 Å²	6	39.2 Å²	39.2	5%	0.05	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-58.6	146.8	-179.4	0	0	0	0	0	112.3	N827 Y828	N827-A860 VanDerWaalsContact CB-O 3.29Å; N827-A860 WeakPolarHBondContact CB-O 3.45Å; N827-A860 PolarHBondContact ND2-O 3.45Å; Y828-A860 PolarHBondContact O-N 3.42Å
861	L	72.5	Confident	67.5	Low	59 Å²	59	38.8 Å²	38.8	31%	0.309	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-67	141.7	173.8	-78.4	163.2	0	0	0	110.2	D882 V884	L861-D882 WeakPolarHBondContact CB-O 3.37Å; L861-D882 PolarHBondContact N-O 3.22Å; L861-V884 HydrophobicContact CD2-CB 4.48Å; L861-V884 HydrophobicContact CD2-CG2 3.46Å; L861-V884 VanDerWaalsContact CD2-CG2 3.46Å; L861-V884 HydrophobicContact CG-CG2 3.8Å
862	P	66.5	Low	65.2	Low	26 Å²	26	46 Å²	46	17%	0.169	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-63.9	144.7	173.1	-19.3	31.6	0	0	0	111.5	I864	P862-I864 PolarHBondContact O-N 3.04Å
863	C	67.2	Low	62.7	Low	55 Å²	55	46.8 Å²	46.8	37%	0.372	28%	0.278	S	S	.	.	S	Bend	trans	-60.5	-29.1	178	58.3	0	0	0	0	113.9	E691	E691-C863 HydrophobicContact CG-CB 3.87Å
864	I	63.1	Low	60.3	Low	42 Å²	42	51.5 Å²	51.5	22%	0.215	30%	0.296	C	S	.	.	S	Bend	trans	-121.8	113.1	170.6	-58.8	174.7	0	0	0	107.6	L690 E704 Y707 P862 T866	L690-I864 HydrophobicContact CD1-CD1 3.91Å; E704-I864 HydrophobicContact CB-CD1 4.05Å; E704-I864 HydrophobicContact CG-CD1 3.87Å; Y707-I864 HydrophobicContact CD1-CB 3.99Å; Y707-I864 HydrophobicContact CD1-CD1 3.82Å; Y707-I864 HydrophobicContact CD1-CG1 4.31Å; Y707-I864 HydrophobicContact CE1-CB 3.73Å; Y707-I864 HydrophobicContact CE1-CD1 4.38Å; Y707-I864 HydrophobicContact CE1-CG1 4.37Å; Y707-I864 HydrophobicContact CG-CD1 4.11Å; P862-I864 PolarHBondContact O-N 3.04Å; I864-T866 HydrophobicContact CG2-CG2 4.41Å; I864-T866 PolarHBondContact O-N 3.43Å
865	Q	54.7	Low	57.8	Low	122 Å²	122	58.5 Å²	58.5	57%	0.57	32%	0.322	S	S	*	.			trans	-70.6	100.6	176.2	-69.7	-174.2	-8.6	0	0	109.7
866	T	50.5	Low	55.2	Low	40 Å²	40	63.2 Å²	63.2	25%	0.245	35%	0.347	C	S	.	.			trans	-86.5	-19.7	178	46.8	0	0	0	0	112.9	Y707 V708 K711 I864	Y707-T866 HydrophobicContact CE1-CG2 4.43Å; V708-T866 HydrophobicContact CG2-CG2 3.98Å; K711-T866 HydrophobicContact CD-CG2 4.36Å; K711-T866 WeakPolarHBondContact CE-OG1 3.4Å; I864-T866 HydrophobicContact CG2-CG2 4.41Å; I864-T866 PolarHBondContact O-N 3.43Å
867	T	47.7	Very low	52.7	Low	58 Å²	58	64.8 Å²	64.8	36%	0.356	36%	0.357	S	S	.	.	S	Bend	trans	-149.3	137.1	179.7	44.5	0	0	0	0	110.2	V869	T867-V869 PolarHBondContact O-N 3.49Å
868	H	40.6	Very low	50	Low	169 Å²	169	70.8 Å²	70.8	78%	0.782	39%	0.394	S	S	*	.			trans	-75	114.1	164.3	-98.2	-90	0	0	0	108.1	A870	H868-A870 VanDerWaalsContact C-N 3.3Å; H868-A870 PolarHBondContact O-N 2.93Å
869	V	44.1	Very low	47.9	Very low	51 Å²	51	71.3 Å²	71.3	31%	0.309	40%	0.395	S	S	.	.			trans	-77.1	86.8	169.9	-169.9	0	0	0	0	107.5	F819 T867	F819-V869 HydrophobicContact CD2-CG1 3.81Å; F819-V869 HydrophobicContact CE2-CG1 3.42Å; F819-V869 VanDerWaalsContact CE2-CG1 3.42Å; F819-V869 HydrophobicContact CZ-CG1 4.43Å; T867-V869 PolarHBondContact O-N 3.49Å
870	A	36	Very low	45.5	Very low	85 Å²	85	72.3 Å²	72.3	70%	0.702	40%	0.4	S	S	*	.			trans	-102.3	102	176.6	0	0	0	0	0	109.6	H868 Y874	H868-A870 VanDerWaalsContact C-N 3.3Å; H868-A870 PolarHBondContact O-N 2.93Å; A870-Y874 WeakPolarHBondContact CA-OH 3.4Å
871	G	35.2	Very low	43.6	Very low	15 Å²	15	77.1 Å²	77.1	16%	0.155	43%	0.431	C	S	.	.			trans	-122.3	110.9	179.6	0	0	0	0	0	112	G873 Y874	G871-G873 PolarHBondContact O-N 3.42Å; G871-Y874 VanDerWaalsContact C-CE2 3.45Å; G871-Y874 PolarHBondContact N-OH 3.44Å; G871-Y874 WeakPolarHBondContact O-CD2 3.37Å; G871-Y874 WeakPolarHBondContact O-CE2 3.47Å; G871-Y874 PolarHBondContact O-OH 3.15Å
872	L	31.6	Very low	42.2	Very low	152 Å²	152	79.6 Å²	79.6	80%	0.796	44%	0.444	S	S	*	.	S	Bend	trans	-60.1	99.1	176.6	-74	149.5	0	0	0	112.1	N815	N815-L872 VanDerWaalsContact CG-O 3.3Å; N815-L872 PolarHBondContact ND2-O 3.12Å
873	G	28.4	Very low	41.1	Very low	54 Å²	54	79.1 Å²	79.1	56%	0.557	44%	0.442	S	S	*	.			trans	-176.1	19.3	173.3	0	0	0	0	0	114.2	G871	G871-G873 PolarHBondContact O-N 3.42Å
874	Y	31.9	Very low	40.2	Very low	106 Å²	106	77.6 Å²	77.6	42%	0.416	43%	0.431	S	S	.	.			trans	-72.2	125.5	-156.3	-64.9	-81.4	0	0	0	114.9	A870 G871 E885	A870-Y874 WeakPolarHBondContact CA-OH 3.4Å; G871-Y874 VanDerWaalsContact C-CE2 3.45Å; G871-Y874 PolarHBondContact N-OH 3.44Å; G871-Y874 WeakPolarHBondContact O-CD2 3.37Å; G871-Y874 WeakPolarHBondContact O-CE2 3.47Å; G871-Y874 PolarHBondContact O-OH 3.15Å; Y874-E885 VanDerWaalsContact CE1-OE2 3.27Å; Y874-E885 WeakPolarHBondContact CE1-OE2 3.49Å
875	R	32.8	Very low	39.8	Very low	156 Å²	156	79 Å²	79	59%	0.589	44%	0.436	S	S	*	.			trans	-102.8	104.9	134.1	-94.9	-172.9	176	172	1.9	107.2	V877	R875-V877 PolarHBondContact O-N 3.27Å
876	L	28.4	Very low	39.6	Very low	121 Å²	121	74.1 Å²	74.1	63%	0.634	42%	0.415	S	S	*	.			trans	-57.7	114.5	170.4	-119.2	142.8	0	0	0	108.1	T878	L876-T878 HydrophobicContact CD2-CG2 4.27Å
877	V	34.8	Very low	40	Very low	34 Å²	34	73.1 Å²	73.1	21%	0.206	41%	0.408	C	S	.	.			trans	-131.2	110.1	157.8	-174.3	0	0	0	0	103.7	A494 R875 F879	A494-V877 HydrophobicContact CB-CG1 4.23Å; A494-V877 HydrophobicContact CB-CG2 3.97Å; R875-V877 PolarHBondContact O-N 3.27Å; V877-F879 HydrophobicContact CB-CD1 4.2Å; V877-F879 HydrophobicContact CB-CD2 4.41Å; V877-F879 HydrophobicContact CB-CE1 3.46Å; V877-F879 VanDerWaalsContact CB-CE1 3.46Å; V877-F879 HydrophobicContact CB-CE2 3.69Å; V877-F879 HydrophobicContact CB-CZ 3.2Å; V877-F879 HydrophobicContact CG1-CD1 3.65Å; V877-F879 HydrophobicContact CG1-CE1 3.05Å; V877-F879 HydrophobicContact CG1-CE2 4.22Å; V877-F879 HydrophobicContact CG1-CG 4.46Å; V877-F879 HydrophobicContact CG1-CZ 3.44Å; V877-F879 VanDerWaalsContact CG1-CZ 3.44Å; V877-F879 HydrophobicContact CG2-CE1 4.45Å; V877-F879 HydrophobicContact CG2-CZ 4.04Å; V877-F879 WeakPolarHBondContact O-CD2 3.41Å; V877-F879 WeakPolarHBondContact O-CE2 3.48Å; V877-F879 VanDerWaalsContact O-CG 3.27Å; V877-F879 WeakPolarHBondContact O-CG 3.37Å; V877-F879 PolarHBondContact O-N 3.32Å
878	T	28.5	Very low	40.6	Very low	126 Å²	126	72 Å²	72	77%	0.773	40%	0.4	S	S	*	.			trans	-79.4	111.5	-175.4	-0.6	0	0	0	0	107.6	L876	L876-T878 HydrophobicContact CD2-CG2 4.27Å
879	F	43.6	Very low	41.5	Very low	19 Å²	19	64 Å²	64	8%	0.083	36%	0.363	C	S	.	.			trans	-103.8	-30.3	-158.4	-69.4	-65.9	0	0	0	115.9	H484 N486 V490 V877 C886	H484-F879 VanDerWaalsContact CB-O 3.32Å; H484-F879 WeakPolarHBondContact CB-O 3.48Å; H484-F879 PolarHBondContact CD2-O 3.42Å; N486-F879 HydrophobicContact CB-CD1 3.75Å; N486-F879 HydrophobicContact CB-CE1 4.05Å; N486-F879 HydrophobicContact CB-CG 4.21Å; N486-F879 VanDerWaalsContact ND2-CB 3.27Å; N486-F879 WeakPolarHBondContact ND2-CB 3.42Å; N486-F879 WeakPolarHBondContact ND2-CD1 3.5Å; N486-F879 VanDerWaalsContact ND2-CD2 3.34Å; N486-F879 WeakPolarHBondContact ND2-CD2 3.45Å; N486-F879 WeakPolarHBondContact ND2-CG 3.33Å; N486-F879 WeakPolarHBondContact OD1-CD1 3.33Å; N486-F879 WeakPolarHBondContact OD1-CD2 3.44Å; N486-F879 WeakPolarHBondContact OD1-CE1 3.39Å; N486-F879 VanDerWaalsContact OD1-CE2 3.24Å; N486-F879 WeakPolarHBondContact OD1-CE2 3.23Å; N486-F879 WeakPolarHBondContact OD1-CG 3.46Å; N486-F879 WeakPolarHBondContact OD1-CZ 3.35Å; V490-F879 HydrophobicContact CG2-CE1 3.75Å; V490-F879 HydrophobicContact CG2-CZ 3.47Å; V490-F879 VanDerWaalsContact CG2-CZ 3.47Å; V877-F879 HydrophobicContact CB-CD1 4.2Å; V877-F879 HydrophobicContact CB-CD2 4.41Å; V877-F879 HydrophobicContact CB-CE1 3.46Å; V877-F879 VanDerWaalsContact CB-CE1 3.46Å; V877-F879 HydrophobicContact CB-CE2 3.69Å; V877-F879 HydrophobicContact CB-CZ 3.2Å; V877-F879 HydrophobicContact CG1-CD1 3.65Å; V877-F879 HydrophobicContact CG1-CE1 3.05Å; V877-F879 HydrophobicContact CG1-CE2 4.22Å; V877-F879 HydrophobicContact CG1-CG 4.46Å; V877-F879 HydrophobicContact CG1-CZ 3.44Å; V877-F879 VanDerWaalsContact CG1-CZ 3.44Å; V877-F879 HydrophobicContact CG2-CE1 4.45Å; V877-F879 HydrophobicContact CG2-CZ 4.04Å; V877-F879 WeakPolarHBondContact O-CD2 3.41Å; V877-F879 WeakPolarHBondContact O-CE2 3.48Å; V877-F879 VanDerWaalsContact O-CG 3.27Å; V877-F879 WeakPolarHBondContact O-CG 3.37Å; V877-F879 PolarHBondContact O-N 3.32Å; F879-C886 HydrophobicContact CE2-CB 3.94Å; F879-C886 HydrophobicContact CZ-CB 4.38Å
880	L	36.5	Very low	42.3	Very low	22 Å²	22	61.9 Å²	61.9	12%	0.115	35%	0.35	C	S	.	.			trans	-162.5	153.2	-176.8	-91.8	163.4	0	0	0	107.2	E480 H484 D882 C883	E480-L880 HydrophobicContact CB-CD2 4.07Å; H484-L880 HydrophobicContact CB-CG 4.29Å; H484-L880 VanDerWaalsContact CE1-CD2 3.49Å; H484-L880 WeakPolarHBondContact CE1-CD2 3.49Å; H484-L880 WeakPolarHBondContact ND1-CD2 3.27Å; L880-D882 PolarHBondContact O-N 3.27Å; L880-C883 HydrophobicContact CB-CB 3.96Å; L880-C883 HydrophobicContact CD1-CB 3.73Å; L880-C883 WeakPolarHBondContact CD1-SG 3.4Å; L880-C883 HydrophobicContact CG-CB 4.47Å
881	P	41.6	Very low	43.1	Very low	108 Å²	108	57.9 Å²	57.9	70%	0.701	32%	0.318	S	S	*	.	S	Bend	trans	-56.8	-30.6	166.5	-20.6	31.6	0	0	0	112.3
882	D	42.4	Very low	44.2	Very low	110 Å²	110	59.5 Å²	59.5	59%	0.588	32%	0.324	S	S	*	.	S	Bend	trans	-124.3	11.7	-164	-56.7	-36	0	0	0	116	L861 L880	L861-D882 WeakPolarHBondContact CB-O 3.37Å; L861-D882 PolarHBondContact N-O 3.22Å; L880-D882 PolarHBondContact O-N 3.27Å
883	C	42.9	Very low	45.1	Very low	17 Å²	17	55.6 Å²	55.6	12%	0.115	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-120.6	148.3	174.2	-72.5	0	0	0	0	112.9	L880	L880-C883 HydrophobicContact CB-CB 3.96Å; L880-C883 HydrophobicContact CD1-CB 3.73Å; L880-C883 WeakPolarHBondContact CD1-SG 3.4Å; L880-C883 HydrophobicContact CG-CB 4.47Å
884	V	48.8	Very low	45.8	Very low	23 Å²	23	56.3 Å²	56.3	14%	0.139	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74.8	143.2	-179.1	-173.3	0	0	0	0	111.2	S857 P858 G859 L861	S857-V884 PolarHBondContact OG-O 3Å; P858-V884 HydrophobicContact CG-CB 3.61Å; P858-V884 HydrophobicContact CG-CG1 3.38Å; P858-V884 HydrophobicContact CG-CG2 4.01Å; G859-V884 WeakPolarHBondContact O-CB 3.29Å; G859-V884 WeakPolarHBondContact O-CG2 3.4Å; G859-V884 PolarHBondContact O-N 3.35Å; L861-V884 HydrophobicContact CD2-CB 4.48Å; L861-V884 HydrophobicContact CD2-CG2 3.46Å; L861-V884 VanDerWaalsContact CD2-CG2 3.46Å; L861-V884 HydrophobicContact CG-CG2 3.8Å
885	E	54.2	Low	46.1	Very low	70 Å²	70	58.4 Å²	58.4	33%	0.327	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-48.9	145.9	175.9	-59.9	173.8	158.2	0	0	113.6	Y874	Y874-E885 VanDerWaalsContact CE1-OE2 3.27Å; Y874-E885 WeakPolarHBondContact CE1-OE2 3.49Å
886	C	52	Low	46.1	Very low	20 Å²	20	53.6 Å²	53.6	14%	0.135	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-87	136.3	171.9	-70.8	0	0	0	0	110.2	N486 F856 S857 F879	N486-C886 PolarHBondContact OD1-SG 2.96Å; F856-C886 CarbonylContact O-C 3.52Å; F856-C886 WeakPolarHBondContact O-CA 3.48Å; S857-C886 WeakPolarHBondContact CB-SG 3.27Å; F879-C886 HydrophobicContact CE2-CB 3.94Å; F879-C886 HydrophobicContact CZ-CB 4.38Å
887	I	58.3	Low	46.3	Very low	19 Å²	19	56.4 Å²	56.4	10%	0.097	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132	173.5	-58.1	-142.2	0	0	0	109.7	F819 H855 F856 L889	F819-I887 HydrophobicContact CB-CD1 3.91Å; F819-I887 HydrophobicContact CD1-CB 4.05Å; F819-I887 HydrophobicContact CD1-CD1 3.64Å; F819-I887 HydrophobicContact CD1-CG1 3.84Å; F819-I887 HydrophobicContact CD1-CG2 4.41Å; F819-I887 HydrophobicContact CD2-CD1 3.2Å; F819-I887 HydrophobicContact CD2-CG1 4.11Å; F819-I887 HydrophobicContact CE1-CB 4.07Å; F819-I887 HydrophobicContact CE1-CD1 3.84Å; F819-I887 HydrophobicContact CE1-CG1 3.66Å; F819-I887 HydrophobicContact CE2-CD1 3.39Å; F819-I887 HydrophobicContact CE2-CG1 3.9Å; F819-I887 HydrophobicContact CG-CD1 3.3Å; F819-I887 HydrophobicContact CG-CG1 4.05Å; F819-I887 HydrophobicContact CZ-CD1 3.71Å; F819-I887 HydrophobicContact CZ-CG1 3.68Å; H855-I887 CarbonylContact C-O 3.25Å; H855-I887 VanDerWaalsContact CA-O 3.3Å; H855-I887 WeakPolarHBondContact CA-O 3.41Å; F856-I887 PolarHBondContact N-O 3.02Å; F856-I887 PolarHBondContact O-N 3.02Å; I887-L889 PolarHBondContact O-N 3.36Å
888	L	60.9	Low	46.2	Very low	35 Å²	35	60.7 Å²	60.7	18%	0.183	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	105.3	167	177	76.8	0	0	0	108.6	T324 E853 L854 H855 C890 A891	T324-L888 HydrophobicContact CG2-CD1 4.2Å; T324-L888 HydrophobicContact CG2-CD2 3.26Å; T324-L888 HydrophobicContact CG2-CG 4.35Å; E853-L888 HydrophobicContact CB-CD1 3.76Å; E853-L888 HydrophobicContact CG-CD1 4.13Å; L854-L888 CarbonylContact O-C 3.6Å; L854-L888 WeakPolarHBondContact O-CA 3.44Å; H855-L888 VanDerWaalsContact NE2-CD1 3.26Å; H855-L888 WeakPolarHBondContact NE2-CD1 3.38Å; L888-C890 WeakPolarHBondContact CD1-O 3.47Å; L888-A891 HydrophobicContact CD2-CB 4.37Å
889	L	58.6	Low	46.3	Very low	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-53.1	178.6	-60.8	-176.4	0	0	0	111.1	V799 W813 A816 L820 L854 F856 I887	V799-L889 HydrophobicContact CG1-CD1 3.97Å; W813-L889 HydrophobicContact CZ3-CB 4.14Å; A816-L889 HydrophobicContact CB-CB 4.24Å; A816-L889 HydrophobicContact CB-CD2 3.84Å; A816-L889 VanDerWaalsContact CB-O 3.28Å; A816-L889 WeakPolarHBondContact CB-O 3.23Å; L820-L889 HydrophobicContact CD1-CD1 4.27Å; L820-L889 HydrophobicContact CD1-CD2 3.93Å; L820-L889 HydrophobicContact CD2-CD2 4.14Å; L820-L889 HydrophobicContact CG-CD2 3.95Å; L854-L889 HydrophobicContact CB-CB 4.42Å; L854-L889 HydrophobicContact CD2-CB 3.98Å; L854-L889 HydrophobicContact CD2-CD1 3.88Å; L854-L889 HydrophobicContact CG-CB 3.96Å; L854-L889 HydrophobicContact CG-CD1 4Å; L854-L889 HydrophobicContact CG-CG 4.37Å; L854-L889 PolarHBondContact O-N 3.3Å; F856-L889 HydrophobicContact CB-CD1 3.53Å; F856-L889 HydrophobicContact CB-CD2 4.02Å; F856-L889 HydrophobicContact CB-CG 3.74Å; F856-L889 HydrophobicContact CG-CD1 4.35Å; I887-L889 PolarHBondContact O-N 3.36Å
890	C	60.4	Low	45.5	Very low	7 Å²	7	71.1 Å²	71.1	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.1	-176.7	-170.7	0	0	0	0	111	L805 W813 L854 L888 T892	L805-C890 HydrophobicContact CD1-CB 4.29Å; L805-C890 WeakPolarHBondContact CD1-SG 3.32Å; W813-C890 HydrophobicContact CE3-CB 3.57Å; W813-C890 HydrophobicContact CZ3-CB 3.57Å; L854-C890 HydrophobicContact CB-CB 4.36Å; L854-C890 PolarHBondContact N-O 2.75Å; L854-C890 PolarHBondContact O-N 3.18Å; L888-C890 WeakPolarHBondContact CD1-O 3.47Å; C890-T892 VanDerWaalsContact SG-CG2 3.55Å
891	A	52.9	Low	45.1	Very low	2 Å²	2	79.8 Å²	79.8	2%	0.017	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112	166.4	0	0	0	0	0	107.6	T324 Y325 V852 E853 L888	T324-A891 WeakPolarHBondContact OG1-CB 3.26Å; Y325-A891 HydrophobicContact CE2-CB 4.06Å; Y325-A891 PolarHBondContact OH-O 2.82Å; V852-A891 VanDerWaalsContact O-CA 3.31Å; V852-A891 WeakPolarHBondContact O-CA 3.29Å; E853-A891 HydrophobicContact CG-CB 4.4Å; L888-A891 HydrophobicContact CD2-CB 4.37Å
892	T	59.1	Low	45.3	Very low	48 Å²	48	78.4 Å²	78.4	29%	0.294	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.3	177.6	52.2	0	0	0	0	110.4	L805 H851 V852 C890	L805-T892 HydrophobicContact CD2-CG2 3.9Å; H851-T892 WeakPolarHBondContact CA-O 3.35Å; H851-T892 PolarHBondContact ND1-O 3.06Å; V852-T892 PolarHBondContact N-O 3.48Å; V852-T892 PolarHBondContact O-N 3.28Å; C890-T892 VanDerWaalsContact SG-CG2 3.55Å
893	K	49.9	Very low	45.5	Very low	70 Å²	70	76.7 Å²	76.7	30%	0.304	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134	147.2	-73.9	-178.6	177.3	176	0	106.2	Q895	K893-Q895 HydrophobicContact CB-CG 4.08Å; K893-Q895 PolarHBondContact O-N 3Å
894	T	43.9	Very low	45.6	Very low	69 Å²	69	80 Å²	80	42%	0.423	40%	0.402	S	S	.	.			trans	-64.6	79.5	166.2	28	0	0	0	0	108.1	E847 D848 F850	E847-T894 CarbonylContact C-O 3.58Å; E847-T894 VanDerWaalsContact CB-O 3.22Å; E847-T894 WeakPolarHBondContact CB-O 3.45Å; E847-T894 WeakPolarHBondContact O-CB 3.21Å; E847-T894 PolarHBondContact O-OG1 3.33Å; D848-T894 PolarHBondContact N-O 3.46Å; F850-T894 PolarHBondContact O-OG1 3.48Å
895	Q	37.2	Very low	45.4	Very low	151 Å²	151	83.4 Å²	83.4	71%	0.706	42%	0.417	S	S	*	.			trans	-104	109.5	169.4	-76.3	-164.9	-14.5	0	0	107.1	D848 K893	D848-Q895 HydrophobicContact CB-CG 4.41Å; K893-Q895 HydrophobicContact CB-CG 4.08Å; K893-Q895 PolarHBondContact O-N 3Å
896	G	34.1	Very low	44.9	Very low	54 Å²	54	84.2 Å²	84.2	56%	0.557	42%	0.423	S	S	*	.	S	Bend	trans	112.3	116.8	171.2	0	0	0	0	0	113.6	E847	E847-G896 WeakPolarHBondContact OE2-CA 3.31Å; E847-G896 PolarHBondContact OE2-N 3.24Å
897	K	32.8	Very low	44.4	Very low	180 Å²	180	88.5 Å²	88.5	78%	0.783	44%	0.442	S	S	*	.			trans	37.1	125.6	160.7	-73.9	-173.6	177.8	178.6	0	115.9	E847 K899	E847-K897 PolarHBondContact OE1-N 3.03Å; E847-K897 PolarHBondContact OE2-N 3.38Å; K897-K899 PolarHBondContact O-N 2.71Å
898	P	31.4	Very low	43.4	Very low	125 Å²	125	93.4 Å²	93.4	81%	0.812	47%	0.467	S	S	*	.			trans	-71.8	74.2	179.5	34.2	-36.1	0	0	0	110.6
899	K	30.2	Very low	42.1	Very low	176 Å²	176	97.9 Å²	97.9	77%	0.765	49%	0.489	S	S	*	.			trans	-85.4	118.5	151.3	-76.1	-172	176.6	-178.1	0	104.8	K897 R901	K897-K899 PolarHBondContact O-N 2.71Å; K899-R901 VanDerWaalsContact C-N 3.33Å; K899-R901 PolarHBondContact O-N 2.92Å
900	Q	26.9	Very low	40.7	Very low	188 Å²	188	106.1 Å²	106.1	88%	0.879	53%	0.529	S	S	*	.			trans	-40.4	96	167.2	-67.2	170.2	-14.1	0	0	109.4
901	R	29.5	Very low	38.9	Very low	203 Å²	203	115.1 Å²	115.1	77%	0.766	57%	0.573	S	S	*	*			trans	-107.2	0	177.5	-98.4	-170.6	174.1	175	0.8	109.2	E806 K899	E806-R901 IonicContact OE1-NH2 2.93Å; E806-R901 PolarHBondContact OE1-NH2 3.03Å; K899-R901 VanDerWaalsContact C-N 3.33Å; K899-R901 PolarHBondContact O-N 2.92Å

Retrieved 901 of 901 residues in 956.2 ms (Link to these results)

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