A0A087XWE3_POEFO Loading...

DNA topoisomerase

Introduces a single-strand break via transesterification at a target site in duplex DNA. Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand.

AlphaFold DB , UniProt , Accession A0A087XWE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 858 aa.

						>A0A087XWE3_POEFO|A0A087XWE3
MRTVLMVAEKPSLAQSIAKILSKGSCTSRKGLNGACSVHEYNGSFQSQTVRFKMTSVCGHVMSLDFIGKYNNWDKVDPAELFSKAPTEKKEANPKLSMVKFLQVEARGCDYVVLWLDCDKEGENICFEVLDAIQPVLNKGIVRDQSVFRAKFSSITDTDIWNAMNRLGEPNRNEALSVDARQELDLRIGCAFTRFQTKYFQGKYGNLDSSLISFGPCQTPTLGFCVERHDKIQSFKPETYWVLQAKVFKGKDTPLTLDWNRVRVFDREVGQMFVNLAKISKEAQVESVSKKDKVKQRPQALNTVEMLRVASSALGMGPQHTMQIAERLYTQGYISYPRTETTIYHENFDLKGTLKQQINNTIWAEEVKALLSIGINQPRKGKDAGDHPPITPMRSASEGELGSDGWRLYEYITRHFIATVSQDCQYLQTTIDFRIGTEAFSCSGKTLISPGYTTVMPWQGIPLEEAMPACECGDTFTVEEIKLVERQTSPPHYLTEAELITLMEKHGIGTDASIPVHINNICQRNYVTVENGRRLKPTNLGIVLVHGYYKTDAELVLPTIRSAVEKQLNLIAQGKANYQQVLQHTLEIFKRKFHYFVDSITSMDELMEVSFSPIAATGKPLSRCGKCHRFMKYIQAKPSRLHCSHCDETYSLPQNGAIKLYKELRCPLDDFELVLWTSGARGKSYPLCPYCFSHPPFRDMKKGMGCNECTHPTCQHSLNSLGIGQCVECDSGILVLDPTSGPKWRMACNKCNVVVHFFEHAHKIQVAQESCDACDASLVAVDFNKTRTPLPDNETQHTGCVFCDPVFQDVVELKHATMRHSMHRGGGARRGGRGRGRGRRGNPKKPKDKMAALAAYFV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	84.7	Confident	95.8	Very high	145 Å²	145	33.6 Å²	33.6	71%	0.714	16%	0.162	S	C	*	.				0	128.6	0	-179.1	169.8	59.6	0	0	107.6	T49 R51	M1-T49 HydrophobicContact SD-CG2 4.1Å; M1-R51 HydrophobicContact CE-CB 3.93Å
2	R	92.5	Very high	95.7	Very high	94 Å²	94	35 Å²	35	36%	0.355	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	154.4	-178.7	-68.3	-178.3	-177.5	174.9	-1	111.1	V50 R51 D110 Y111	R2-V50 HydrophobicContact CB-CG1 4.19Å; R2-V50 WeakPolarHBondContact O-CA 3.09Å; R2-R51 PolarHBondContact O-N 3.22Å; R2-D110 WeakPolarHBondContact CA-OD2 3.28Å; R2-D110 HydrophobicContact CB-CB 4.25Å; R2-D110 VanDerWaalsContact CB-OD2 3.29Å; R2-D110 WeakPolarHBondContact CB-OD2 3.42Å; R2-D110 HydrophobicContact CG-CB 4.44Å; R2-Y111 PolarHBondContact NH1-OH 3.15Å
3	T	95.9	Very high	95.7	Very high	27 Å²	27	32.3 Å²	32.3	17%	0.166	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.9	179.3	-54.5	0	0	0	0	111	R51 K53 D110 Y111	T3-R51 CarbonylContact C-O 3.56Å; T3-R51 VanDerWaalsContact CA-O 3.3Å; T3-R51 WeakPolarHBondContact CA-O 3.37Å; T3-K53 HydrophobicContact CG2-CB 4.26Å; T3-D110 PolarHBondContact N-OD2 3.02Å; T3-D110 PolarHBondContact O-N 3.45Å; T3-Y111 PolarHBondContact O-N 2.94Å
4	V	97.3	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.7	176.7	-176.2	0	0	0	0	108.7	M6 F45 V50 R51 F52 K53 Y111 V113	V4-M6 HydrophobicContact CG1-CG 4.18Å; V4-F45 HydrophobicContact CG2-CB 4.22Å; V4-F45 HydrophobicContact CG2-CD1 3.97Å; V4-F45 HydrophobicContact CG2-CG 4.06Å; V4-V50 HydrophobicContact CG2-CB 3.99Å; V4-V50 HydrophobicContact CG2-CG1 4.23Å; V4-V50 HydrophobicContact CG2-CG2 3.78Å; V4-R51 PolarHBondContact N-O 2.83Å; V4-F52 HydrophobicContact CB-CD1 3.69Å; V4-F52 HydrophobicContact CB-CE1 3.83Å; V4-F52 HydrophobicContact CG1-CD1 3.95Å; V4-F52 HydrophobicContact CG1-CE1 3.86Å; V4-F52 HydrophobicContact CG2-CD1 4.26Å; V4-F52 HydrophobicContact CG2-CE1 4.01Å; V4-K53 PolarHBondContact O-N 2.95Å; V4-Y111 HydrophobicContact CG2-CD2 3.97Å; V4-Y111 HydrophobicContact CG2-CG 4.43Å; V4-V113 HydrophobicContact CG1-CG2 3.73Å
5	L	98.1	Very high	95.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.3	170.2	-176.9	71	0	0	0	109.2	V7 K53 T55 A106 C109 Y111 V112 V113 I133	L5-V7 HydrophobicContact CD2-CG2 3.93Å; L5-V7 HydrophobicContact CG-CG2 3.93Å; L5-K53 CarbonylContact C-O 3.52Å; L5-K53 WeakPolarHBondContact CA-O 3.26Å; L5-K53 HydrophobicContact CD1-CD 4.34Å; L5-K53 HydrophobicContact CD1-CG 4.36Å; L5-T55 HydrophobicContact CD1-CG2 4.25Å; L5-A106 HydrophobicContact CD2-CB 3.68Å; L5-C109 HydrophobicContact CB-CB 4.1Å; L5-Y111 PolarHBondContact N-O 3.05Å; L5-V112 HydrophobicContact CB-CG2 4.48Å; L5-V112 CarbonylContact O-C 3.49Å; L5-V112 VanDerWaalsContact O-CA 3.26Å; L5-V112 WeakPolarHBondContact O-CA 3.44Å; L5-V113 PolarHBondContact O-N 3.32Å; L5-I133 HydrophobicContact CD2-CD1 3.95Å; L5-I133 HydrophobicContact CD2-CG2 4.4Å
6	M	98.7	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.2	172.9	-57.4	-171	-73.8	0	0	109.4	V4 L21 Y41 F52 K53 M54 T55 V113	V4-M6 HydrophobicContact CG1-CG 4.18Å; M6-L21 HydrophobicContact SD-CD1 4.45Å; M6-Y41 HydrophobicContact CE-CE1 3.99Å; M6-Y41 WeakPolarHBondContact CE-OH 3.3Å; M6-F52 HydrophobicContact CE-CB 3.67Å; M6-F52 HydrophobicContact CE-CD1 3.5Å; M6-F52 VanDerWaalsContact CE-CD1 3.5Å; M6-F52 HydrophobicContact CE-CE1 4.4Å; M6-F52 HydrophobicContact CE-CG 3.81Å; M6-F52 HydrophobicContact CG-CD1 4.32Å; M6-F52 HydrophobicContact SD-CD1 3.7Å; M6-F52 HydrophobicContact SD-CE1 4.11Å; M6-K53 PolarHBondContact N-O 2.82Å; M6-M54 HydrophobicContact CB-CB 4.22Å; M6-M54 HydrophobicContact CB-CE 3.51Å; M6-M54 HydrophobicContact CB-SD 3.53Å; M6-M54 VanDerWaalsContact CB-SD 3.53Å; M6-M54 HydrophobicContact CE-CB 3.88Å; M6-M54 HydrophobicContact CE-CE 3.86Å; M6-M54 HydrophobicContact CG-CE 4.33Å; M6-M54 CarbonylContact O-C 3.58Å; M6-M54 WeakPolarHBondContact O-CA 3.44Å; M6-M54 HydrophobicContact SD-CE 3.91Å; M6-T55 PolarHBondContact O-N 3.42Å; M6-V113 VanDerWaalsContact CA-O 3.25Å; M6-V113 WeakPolarHBondContact CA-O 3.47Å; M6-V113 HydrophobicContact CG-CB 4.02Å; M6-V113 HydrophobicContact CG-CG2 4.37Å
7	V	98.7	Very high	95.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.6	-174.5	-172.3	0	0	0	0	110.1	L5 T55 V57 L102 V113 W115 L116 V129	L5-V7 HydrophobicContact CD2-CG2 3.93Å; L5-V7 HydrophobicContact CG-CG2 3.93Å; V7-T55 WeakPolarHBondContact CA-O 3.29Å; V7-T55 HydrophobicContact CG2-CG2 4.34Å; V7-V57 HydrophobicContact CG1-CG1 4.09Å; V7-L102 HydrophobicContact CG1-CD2 4.22Å; V7-V113 PolarHBondContact N-O 3.09Å; V7-V113 VanDerWaalsContact N-O 3.13Å; V7-W115 CarbonylContact O-C 3.44Å; V7-W115 WeakPolarHBondContact O-CA 3.45Å; V7-W115 PolarHBondContact O-N 3.48Å; V7-L116 WeakPolarHBondContact O-CD1 3.45Å; V7-V129 HydrophobicContact CB-CG1 4.14Å; V7-V129 HydrophobicContact CG1-CG1 4.06Å; V7-V129 HydrophobicContact CG1-CG2 4.05Å; V7-V129 HydrophobicContact CG2-CG1 4.01Å
8	A	98.4	Very high	96	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	168.2	172	0	0	0	0	0	112.3	L13 A14 I17 M54 T55 S56 V57 W115	A8-L13 HydrophobicContact CB-CB 4.11Å; A8-A14 HydrophobicContact CB-CB 3.96Å; A8-I17 HydrophobicContact CB-CD1 4.41Å; A8-M54 HydrophobicContact CB-SD 4.49Å; A8-T55 PolarHBondContact N-O 2.93Å; A8-S56 CarbonylContact O-C 3.59Å; A8-S56 WeakPolarHBondContact O-CA 3.06Å; A8-S56 VanDerWaalsContact O-CB 3.29Å; A8-S56 WeakPolarHBondContact O-CB 3.5Å; A8-V57 PolarHBondContact O-N 3.49Å; A8-W115 WeakPolarHBondContact CA-O 3.29Å; A8-W115 HydrophobicContact CB-CB 4.14Å
9	E	97.4	Very high	96	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.079	19%	0.186	C	C	.	.	S	Bend	trans	-74.6	-31.9	-175.6	-168.4	178.4	121.9	0	0	113.9	L13 V57 C58 G59 L116 D117 I125	E9-L13 HydrophobicContact CB-CD1 4.33Å; E9-V57 CarbonylContact O-C 3.51Å; E9-V57 WeakPolarHBondContact O-CG2 3.45Å; E9-C58 PolarHBondContact O-N 2.97Å; E9-G59 PolarHBondContact O-N 3.17Å; E9-L116 HydrophobicContact CB-CB 4.35Å; E9-L116 HydrophobicContact CB-CG 4.4Å; E9-D117 WeakPolarHBondContact OE2-CB 3.48Å; E9-D117 PolarHBondContact OE2-N 3.41Å; E9-I125 HydrophobicContact CG-CD1 4.16Å
10	K	95.8	Very high	96.1	Very high	44 Å²	44	36.6 Å²	36.6	19%	0.191	18%	0.182	C	C	.	.	S	Bend	trans	-135.8	151.6	-174.7	-64.1	171.4	-173.6	160.8	0	111	S12 L13 A14 S56 E326 T330	K10-S12 VanDerWaalsContact C-N 3.32Å; K10-S12 PolarHBondContact O-N 2.92Å; K10-L13 HydrophobicContact CB-CD1 4.18Å; K10-L13 HydrophobicContact CB-CG 4.33Å; K10-L13 WeakPolarHBondContact O-CB 3.49Å; K10-L13 PolarHBondContact O-N 3.12Å; K10-L13 VanDerWaalsContact O-N 3.11Å; K10-A14 PolarHBondContact O-N 3.32Å; K10-A14 VanDerWaalsContact O-N 3.11Å; K10-S56 VanDerWaalsContact C-CB 3.43Å; K10-S56 WeakPolarHBondContact O-CB 3.47Å; K10-E326 IonicContact NZ-OE2 3.56Å; K10-E326 PolarHBondContact NZ-OE2 2.91Å; K10-T330 HydrophobicContact CD-CG2 4.35Å
11	P	96.4	Very high	96.1	Very high	42 Å²	42	35.5 Å²	35.5	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-59	-38.2	-178.8	-27.2	35.4	0	0	0	114.4	L13 A14 Q15 S56 V57	P11-L13 VanDerWaalsContact C-N 3.34Å; P11-L13 PolarHBondContact O-N 3.36Å; P11-A14 PolarHBondContact O-N 3.41Å; P11-Q15 PolarHBondContact O-N 3.26Å; P11-Q15 VanDerWaalsContact O-N 3.09Å; P11-S56 VanDerWaalsContact CA-OG 3.22Å; P11-S56 WeakPolarHBondContact CA-OG 3.49Å; P11-V57 WeakPolarHBondContact CD-O 3.38Å
12	S	94.3	Very high	96.7	Very high	50 Å²	50	28.9 Å²	28.9	35%	0.35	15%	0.145	S	C	.	.	H	α-helix	trans	-65.2	-36.1	177.1	49.3	0	0	0	0	112.7	K10 S16	K10-S12 VanDerWaalsContact C-N 3.32Å; K10-S12 PolarHBondContact O-N 2.92Å; S12-S16 WeakPolarHBondContact O-CB 3.11Å; S12-S16 PolarHBondContact O-N 2.81Å; S12-S16 VanDerWaalsContact O-N 3.08Å; S12-S16 PolarHBondContact O-OG 2.98Å
13	L	95.4	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-49.7	175.6	-71.7	175.2	0	0	0	110.8	A8 E9 K10 P11 Q15 S16 I17 D117 I155 Y329 T330	A8-L13 HydrophobicContact CB-CB 4.11Å; E9-L13 HydrophobicContact CB-CD1 4.33Å; K10-L13 HydrophobicContact CB-CD1 4.18Å; K10-L13 HydrophobicContact CB-CG 4.33Å; K10-L13 WeakPolarHBondContact O-CB 3.49Å; K10-L13 PolarHBondContact O-N 3.12Å; K10-L13 VanDerWaalsContact O-N 3.11Å; P11-L13 VanDerWaalsContact C-N 3.34Å; P11-L13 PolarHBondContact O-N 3.36Å; L13-Q15 VanDerWaalsContact C-N 3.28Å; L13-Q15 PolarHBondContact O-N 2.8Å; L13-S16 PolarHBondContact O-N 3.1Å; L13-S16 VanDerWaalsContact O-N 3.14Å; L13-I17 WeakPolarHBondContact O-CB 3.37Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.44Å; L13-I17 PolarHBondContact O-N 3.36Å; L13-D117 WeakPolarHBondContact CD1-OD1 3.42Å; L13-I155 HydrophobicContact CD2-CD1 3.6Å; L13-I155 HydrophobicContact CD2-CG1 3.76Å; L13-Y329 HydrophobicContact CD1-CE1 4.46Å; L13-Y329 HydrophobicContact CD2-CE1 4.13Å; L13-T330 HydrophobicContact CD1-CG2 4.21Å; L13-T330 HydrophobicContact CD2-CG2 3.83Å; L13-T330 HydrophobicContact CG-CG2 3.86Å
14	A	97.6	Very high	96.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-56	-43.6	177.4	0	0	0	0	0	112.3	A8 K10 P11 A18 M54 T55	A8-A14 HydrophobicContact CB-CB 3.96Å; K10-A14 PolarHBondContact O-N 3.32Å; K10-A14 VanDerWaalsContact O-N 3.11Å; P11-A14 PolarHBondContact O-N 3.41Å; A14-A18 WeakPolarHBondContact O-CB 3.38Å; A14-A18 PolarHBondContact O-N 2.91Å; A14-M54 HydrophobicContact CB-CG 4Å; A14-M54 HydrophobicContact CB-SD 4.3Å; A14-M54 WeakPolarHBondContact O-CG 3.29Å; A14-T55 WeakPolarHBondContact CB-O 3.27Å
15	Q	96.5	Very high	96.5	Very high	116 Å²	116	38 Å²	38	54%	0.542	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-46.1	177.4	-175.4	179.9	19.8	0	0	111.9	P11 L13 K19	P11-Q15 PolarHBondContact O-N 3.26Å; P11-Q15 VanDerWaalsContact O-N 3.09Å; L13-Q15 VanDerWaalsContact C-N 3.28Å; L13-Q15 PolarHBondContact O-N 2.8Å; Q15-K19 WeakPolarHBondContact O-CB 3.45Å; Q15-K19 PolarHBondContact O-N 3.43Å
16	S	95.6	Very high	96.4	Very high	35 Å²	35	39.3 Å²	39.3	25%	0.245	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-46.5	-177.6	-58.2	0	0	0	0	111.5	S12 L13 K19 I20	S12-S16 WeakPolarHBondContact O-CB 3.11Å; S12-S16 PolarHBondContact O-N 2.81Å; S12-S16 VanDerWaalsContact O-N 3.08Å; S12-S16 PolarHBondContact O-OG 2.98Å; L13-S16 PolarHBondContact O-N 3.1Å; L13-S16 VanDerWaalsContact O-N 3.14Å; S16-K19 PolarHBondContact O-N 2.92Å; S16-I20 WeakPolarHBondContact O-CG1 3.33Å; S16-I20 PolarHBondContact O-N 2.89Å; S16-I20 VanDerWaalsContact O-N 3.07Å
17	I	97.3	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-44.4	177.9	-62.3	169.2	0	0	0	110.5	A8 L13 K19 I20 L21 M54 W115 F152 I160	A8-I17 HydrophobicContact CB-CD1 4.41Å; L13-I17 WeakPolarHBondContact O-CB 3.37Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.44Å; L13-I17 PolarHBondContact O-N 3.36Å; I17-K19 VanDerWaalsContact C-N 3.31Å; I17-K19 PolarHBondContact O-N 3.04Å; I17-I20 PolarHBondContact O-N 3.42Å; I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 4.28Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 3.1Å; I17-M54 HydrophobicContact CB-CE 4.11Å; I17-M54 HydrophobicContact CG2-CE 3.51Å; I17-W115 HydrophobicContact CD1-CB 4.14Å; I17-W115 HydrophobicContact CD1-CD2 4.4Å; I17-W115 HydrophobicContact CD1-CE3 3.96Å; I17-W115 HydrophobicContact CG2-CD2 4Å; I17-W115 HydrophobicContact CG2-CE3 3.92Å; I17-W115 HydrophobicContact CG2-CH2 4.43Å; I17-W115 HydrophobicContact CG2-CZ2 4.5Å; I17-W115 HydrophobicContact CG2-CZ3 4.14Å; I17-F152 HydrophobicContact CD1-CZ 4.43Å; I17-I160 HydrophobicContact CD1-CD1 4.42Å; I17-I160 HydrophobicContact CG1-CD1 4Å; I17-I160 HydrophobicContact CG2-CG2 3.97Å
18	A	97.6	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-41.3	176.1	0	0	0	0	0	112.2	A14 S22 H39 Y41 M54	A14-A18 WeakPolarHBondContact O-CB 3.38Å; A14-A18 PolarHBondContact O-N 2.91Å; A18-S22 WeakPolarHBondContact O-CB 3.29Å; A18-S22 PolarHBondContact O-N 3.26Å; A18-S22 PolarHBondContact O-OG 3.37Å; A18-H39 HydrophobicContact CB-CB 3.56Å; A18-Y41 HydrophobicContact CB-CE1 4.47Å; A18-M54 HydrophobicContact CB-CB 4.06Å; A18-M54 HydrophobicContact CB-CG 3.96Å
19	K	96.6	Very high	96.2	Very high	141 Å²	141	52.2 Å²	52.2	61%	0.613	29%	0.289	S	S	*	.	H	α-helix	trans	-62.9	-42.9	178.4	-172.4	178.8	179.1	-176.6	0	111.6	Q15 S16 I17 S22 K23 G24	Q15-K19 WeakPolarHBondContact O-CB 3.45Å; Q15-K19 PolarHBondContact O-N 3.43Å; S16-K19 PolarHBondContact O-N 2.92Å; I17-K19 VanDerWaalsContact C-N 3.31Å; I17-K19 PolarHBondContact O-N 3.04Å; K19-S22 PolarHBondContact O-OG 2.83Å; K19-K23 PolarHBondContact O-N 3.04Å; K19-G24 PolarHBondContact O-N 2.85Å
20	I	96.2	Very high	96.1	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.097	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-56.2	176.8	-69	166.3	0	0	0	110.7	S16 I17 S22 K23 I155 D157 I160	S16-I20 WeakPolarHBondContact O-CG1 3.33Å; S16-I20 PolarHBondContact O-N 2.89Å; S16-I20 VanDerWaalsContact O-N 3.07Å; I17-I20 PolarHBondContact O-N 3.42Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.37Å; I20-K23 PolarHBondContact O-N 3.19Å; I20-I155 HydrophobicContact CD1-CG2 4.22Å; I20-D157 HydrophobicContact CG2-CB 4.4Å; I20-I160 HydrophobicContact CB-CG2 4.39Å; I20-I160 HydrophobicContact CD1-CB 4.46Å; I20-I160 HydrophobicContact CD1-CG1 4.05Å; I20-I160 HydrophobicContact CG2-CB 4.08Å; I20-I160 HydrophobicContact CG2-CG2 3.89Å
21	L	97	Very high	96	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-32	-174.1	-68	176.9	0	0	0	113	M6 I17 K23 Y41 W115 I160 W161 M164	M6-L21 HydrophobicContact SD-CD1 4.45Å; I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 4.28Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 3.1Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-Y41 HydrophobicContact CB-CE2 4.41Å; L21-Y41 WeakPolarHBondContact CB-OH 3.41Å; L21-W115 HydrophobicContact CD1-CH2 4.2Å; L21-W115 HydrophobicContact CD1-CZ2 3.77Å; L21-I160 HydrophobicContact CD1-CG2 4.36Å; L21-I160 HydrophobicContact CD2-CG2 3.75Å; L21-I160 HydrophobicContact CG-CG2 3.83Å; L21-W161 HydrophobicContact CD2-CD2 4.28Å; L21-W161 HydrophobicContact CD2-CE3 4.44Å; L21-M164 HydrophobicContact CD2-CB 4.06Å; L21-M164 HydrophobicContact CD2-CG 4.21Å
22	S	96.6	Very high	95.9	Very high	7 Å²	7	58.2 Å²	58.2	5%	0.049	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-3.1	174.9	69.7	0	0	0	0	113.8	A18 K19 I20 G24 S25 C26	A18-S22 WeakPolarHBondContact O-CB 3.29Å; A18-S22 PolarHBondContact O-N 3.26Å; A18-S22 PolarHBondContact O-OG 3.37Å; K19-S22 PolarHBondContact O-OG 2.83Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.37Å; S22-G24 PolarHBondContact O-N 3.32Å; S22-G24 PolarHBondContact OG-N 3.01Å; S22-S25 WeakPolarHBondContact O-CB 3.38Å; S22-S25 PolarHBondContact O-N 3.22Å; S22-S25 PolarHBondContact O-OG 2.93Å; S22-S25 PolarHBondContact OG-N 3.05Å; S22-C26 WeakPolarHBondContact OG-CB 3.36Å; S22-C26 PolarHBondContact OG-N 2.86Å
23	K	94.9	Very high	95.9	Very high	177 Å²	177	57.3 Å²	57.3	77%	0.77	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	38.6	-170	-56.7	-179.9	179.2	-179.6	0	112.2	K19 I20 L21 S25	K19-K23 PolarHBondContact O-N 3.04Å; I20-K23 PolarHBondContact O-N 3.19Å; L21-K23 VanDerWaalsContact C-N 3.32Å; K23-S25 VanDerWaalsContact C-N 3.34Å; K23-S25 PolarHBondContact O-N 3.34Å
24	G	93	Very high	95.7	Very high	49 Å²	49	59.4 Å²	59.4	51%	0.505	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	1.1	-178.8	0	0	0	0	0	116.3	K19 S22	K19-G24 PolarHBondContact O-N 2.85Å; S22-G24 PolarHBondContact O-N 3.32Å; S22-G24 PolarHBondContact OG-N 3.01Å
25	S	94.3	Very high	95.6	Very high	85 Å²	85	61.2 Å²	61.2	59%	0.594	35%	0.345	S	S	*	.			trans	-85.6	0.7	-177.6	67.2	0	0	0	0	115.1	S22 K23	S22-S25 WeakPolarHBondContact O-CB 3.38Å; S22-S25 PolarHBondContact O-N 3.22Å; S22-S25 PolarHBondContact O-OG 2.93Å; S22-S25 PolarHBondContact OG-N 3.05Å; K23-S25 VanDerWaalsContact C-N 3.34Å; K23-S25 PolarHBondContact O-N 3.34Å
26	C	95.6	Very high	95.6	Very high	29 Å²	29	55.7 Å²	55.7	20%	0.196	32%	0.319	C	S	.	.			trans	-69.5	139.4	-178.7	65.5	0	0	0	0	113.2	S22 Y41	S22-C26 WeakPolarHBondContact OG-CB 3.36Å; S22-C26 PolarHBondContact OG-N 2.86Å; C26-Y41 HydrophobicContact CB-CD1 3.88Å; C26-Y41 HydrophobicContact CB-CG 4.41Å
27	T	96.8	Very high	95.7	Very high	96 Å²	96	55.2 Å²	55.2	59%	0.589	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	138.2	167.7	58.2	0	0	0	0	109.8	H39 E40	T27-H39 CarbonylContact O-C 3.56Å; T27-H39 WeakPolarHBondContact O-CA 3.17Å; T27-E40 PolarHBondContact N-O 3.19Å; T27-E40 PolarHBondContact O-N 3.41Å; T27-E40 PolarHBondContact OG1-O 3.19Å
28	S	97.3	Very high	95.8	Very high	76 Å²	76	55.2 Å²	55.2	53%	0.531	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.6	-176.3	-56.4	0	0	0	0	111.2	V38 H39	S28-V38 CarbonylContact C-O 3.59Å; S28-V38 WeakPolarHBondContact CA-O 3.17Å; S28-H39 PolarHBondContact OG-ND1 2.9Å
29	R	97.3	Very high	95.8	Very high	99 Å²	99	55.5 Å²	55.5	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.2	170.7	64.7	174.2	174.1	84.6	2.1	111.2	S37 V38 E40 E105	R29-S37 CarbonylContact O-C 3.57Å; R29-S37 WeakPolarHBondContact O-CA 3.3Å; R29-S37 WeakPolarHBondContact O-CB 3.16Å; R29-V38 HydrophobicContact CG-CB 4.07Å; R29-V38 PolarHBondContact N-O 3.47Å; R29-V38 PolarHBondContact O-N 3.16Å; R29-E40 IonicContact CZ-OE1 2.83Å; R29-E40 IonicContact NE-OE1 3.02Å; R29-E40 PolarHBondContact NE-OE1 3.2Å; R29-E40 IonicContact NH2-OE1 4Å; R29-E40 PolarHBondContact NH2-OE1 2.61Å; R29-E105 IonicContact CZ-OE1 2.66Å; R29-E105 IonicContact CZ-OE2 3.69Å; R29-E105 IonicContact NH1-OE1 3.44Å; R29-E105 PolarHBondContact NH1-OE1 3.15Å; R29-E105 IonicContact NH1-OE2 3.93Å; R29-E105 IonicContact NH2-OE1 2.95Å; R29-E105 IonicContact NH2-OE2 3.06Å; R29-E105 PolarHBondContact NH2-OE2 3.35Å
30	K	96.7	Very high	95.9	Very high	137 Å²	137	49.8 Å²	49.8	60%	0.596	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	139.4	173.3	-75.4	-67.1	-171.5	175.1	0	111.2	G34	K30-G34 PolarHBondContact NZ-O 3.01Å
31	G	93.9	Very high	96	Very high	7 Å²	7	49.7 Å²	49.7	7%	0.072	29%	0.291	C	S	.	.			trans	-77.4	167.8	170.7	0	0	0	0	0	111.9	N33 G34 C36	G31-N33 PolarHBondContact O-N 2.85Å; G31-N33 VanDerWaalsContact O-N 3.13Å; G31-G34 PolarHBondContact O-N 2.85Å; G31-G34 VanDerWaalsContact O-N 3.12Å; G31-C36 WeakPolarHBondContact CA-O 3.36Å; G31-C36 PolarHBondContact N-O 2.76Å
32	L	93.9	Very high	96	Very high	86 Å²	86	54.1 Å²	54.1	45%	0.45	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.4	-176.8	71.8	89.1	0	0	0	114.3	F101 V104	L32-F101 HydrophobicContact CD1-CB 4.41Å; L32-F101 HydrophobicContact CD2-CB 4.43Å; L32-F101 HydrophobicContact CD2-CD2 4.33Å; L32-F101 HydrophobicContact CG-CB 4.25Å; L32-F101 HydrophobicContact CG-CD2 4.01Å; L32-V104 HydrophobicContact CD2-CB 3.78Å; L32-V104 HydrophobicContact CD2-CG1 3.99Å; L32-V104 HydrophobicContact CD2-CG2 3.71Å
33	N	93	Very high	95.9	Very high	30 Å²	30	55 Å²	55	16%	0.16	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.5	-179.4	66.1	8.3	0	0	0	113.7	G31 A35 C36 L96	G31-N33 PolarHBondContact O-N 2.85Å; G31-N33 VanDerWaalsContact O-N 3.13Å; N33-A35 PolarHBondContact O-N 3.35Å; N33-A35 PolarHBondContact OD1-N 3.05Å; N33-C36 WeakPolarHBondContact OD1-CB 3.31Å; N33-C36 PolarHBondContact OD1-N 2.95Å; N33-L96 WeakPolarHBondContact CB-O 3.29Å
34	G	92.5	Very high	95.8	Very high	44 Å²	44	50.5 Å²	50.5	45%	0.454	32%	0.316	S	S	.	.	S	Bend	trans	71.9	-30.8	-179.3	0	0	0	0	0	115.7	K30 G31	K30-G34 PolarHBondContact NZ-O 3.01Å; G31-G34 PolarHBondContact O-N 2.85Å; G31-G34 VanDerWaalsContact O-N 3.12Å
35	A	94.6	Very high	95.9	Very high	40 Å²	40	48.8 Å²	48.8	33%	0.331	29%	0.294	S	S	.	.	S	Bend	trans	-74.6	-48.7	179	0	0	0	0	0	112.2	N33 L96	N33-A35 PolarHBondContact O-N 3.35Å; N33-A35 PolarHBondContact OD1-N 3.05Å; A35-L96 HydrophobicContact CB-CD2 3.89Å
36	C	97	Very high	95.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.288	C	S	.	.			trans	-88.1	148.1	-178	-61.4	0	0	0	0	111	G31 N33 S56 F101	G31-C36 WeakPolarHBondContact CA-O 3.36Å; G31-C36 PolarHBondContact N-O 2.76Å; N33-C36 WeakPolarHBondContact OD1-CB 3.31Å; N33-C36 PolarHBondContact OD1-N 2.95Å; C36-S56 PolarHBondContact SG-O 2.84Å; C36-F101 HydrophobicContact CB-CD1 4.24Å; C36-F101 HydrophobicContact CB-CE1 3.47Å; C36-F101 VanDerWaalsContact CB-CE1 3.47Å; C36-F101 HydrophobicContact CB-CE2 4.32Å; C36-F101 HydrophobicContact CB-CZ 3.5Å
37	S	97.8	Very high	95.3	Very high	25 Å²	25	54 Å²	54	18%	0.175	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	159.5	173	-51.6	0	0	0	0	109.6	R29 T55	R29-S37 CarbonylContact O-C 3.57Å; R29-S37 WeakPolarHBondContact O-CA 3.3Å; R29-S37 WeakPolarHBondContact O-CB 3.16Å; S37-T55 WeakPolarHBondContact O-CB 3.38Å; S37-T55 PolarHBondContact O-OG1 3.13Å
38	V	98.4	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.8	175.9	-171.9	0	0	0	0	108	S28 R29 E40 K53 M54 F101 E105	S28-V38 CarbonylContact C-O 3.59Å; S28-V38 WeakPolarHBondContact CA-O 3.17Å; R29-V38 HydrophobicContact CG-CB 4.07Å; R29-V38 PolarHBondContact N-O 3.47Å; R29-V38 PolarHBondContact O-N 3.16Å; V38-E40 HydrophobicContact CG1-CG 3.92Å; V38-K53 HydrophobicContact CG1-CD 4.28Å; V38-K53 HydrophobicContact CG1-CG 3.53Å; V38-M54 CarbonylContact C-O 3.49Å; V38-M54 WeakPolarHBondContact CA-O 3.3Å; V38-F101 HydrophobicContact CG2-CE2 4.29Å; V38-F101 HydrophobicContact CG2-CZ 4.23Å; V38-E105 HydrophobicContact CG2-CG 4.07Å
39	H	98.3	Very high	94.9	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.023	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.9	-177.1	-49.8	-79.2	0	0	0	108.9	A18 T27 S28 M54	A18-H39 HydrophobicContact CB-CB 3.56Å; T27-H39 CarbonylContact O-C 3.56Å; T27-H39 WeakPolarHBondContact O-CA 3.17Å; S28-H39 PolarHBondContact OG-ND1 2.9Å; H39-M54 HydrophobicContact CB-CB 4.25Å; H39-M54 PolarHBondContact N-O 3.49Å; H39-M54 PolarHBondContact O-N 3.42Å
40	E	98.3	Very high	94.9	Very high	21 Å²	21	49.6 Å²	49.6	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.8	-170.2	-58.9	179.2	-173.6	0	0	110.9	T27 R29 V38 R51 F52 K53	T27-E40 PolarHBondContact N-O 3.19Å; T27-E40 PolarHBondContact O-N 3.41Å; T27-E40 PolarHBondContact OG1-O 3.19Å; R29-E40 IonicContact CZ-OE1 2.83Å; R29-E40 IonicContact NE-OE1 3.02Å; R29-E40 PolarHBondContact NE-OE1 3.2Å; R29-E40 IonicContact NH2-OE1 4Å; R29-E40 PolarHBondContact NH2-OE1 2.61Å; V38-E40 HydrophobicContact CG1-CG 3.92Å; E40-R51 IonicContact OE2-CZ 3.38Å; E40-R51 IonicContact OE2-NE 3.47Å; E40-R51 PolarHBondContact OE2-NE 3.18Å; E40-R51 IonicContact OE2-NH2 2.61Å; E40-R51 PolarHBondContact OE2-NH2 3.31Å; E40-F52 VanDerWaalsContact CA-O 3.31Å; E40-F52 WeakPolarHBondContact CA-O 3.25Å; E40-K53 HydrophobicContact CG-CG 4.2Å
41	Y	98	Very high	94.9	Very high	17 Å²	17	48.3 Å²	48.3	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	161.8	178.6	57.9	-83.1	0	0	0	110.8	M6 A18 L21 C26 F52	M6-Y41 HydrophobicContact CE-CE1 3.99Å; M6-Y41 WeakPolarHBondContact CE-OH 3.3Å; A18-Y41 HydrophobicContact CB-CE1 4.47Å; L21-Y41 HydrophobicContact CB-CE2 4.41Å; L21-Y41 WeakPolarHBondContact CB-OH 3.41Å; C26-Y41 HydrophobicContact CB-CD1 3.88Å; C26-Y41 HydrophobicContact CB-CG 4.41Å; Y41-F52 HydrophobicContact CD1-CB 4.03Å; Y41-F52 HydrophobicContact CD2-CB 3.94Å; Y41-F52 AromaticContact CD2-CD2 3.85Å; Y41-F52 HydrophobicContact CD2-CD2 3.85Å; Y41-F52 HydrophobicContact CD2-CG 4.3Å; Y41-F52 HydrophobicContact CE1-CB 3.73Å; Y41-F52 HydrophobicContact CE2-CB 3.63Å; Y41-F52 AromaticContact CE2-CD2 3.35Å; Y41-F52 HydrophobicContact CE2-CD2 3.35Å; Y41-F52 HydrophobicContact CE2-CE2 4.22Å; Y41-F52 AromaticContact CE2-CG 3.7Å; Y41-F52 HydrophobicContact CE2-CG 3.7Å; Y41-F52 HydrophobicContact CG-CB 4.13Å; Y41-F52 AromaticContact CZ-CD2 3.97Å; Y41-F52 AromaticContact CZ-CG 3.83Å; Y41-F52 PolarHBondContact N-O 2.88Å; Y41-F52 VanDerWaalsContact N-O 3.16Å; Y41-F52 PolarHBondContact O-N 2.95Å
42	N	97.2	Very high	95.2	Very high	106 Å²	106	48.3 Å²	48.3	57%	0.567	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.6	174	-65.3	-27.9	0	0	0	110.1	V50	N42-V50 WeakPolarHBondContact CA-O 3.16Å
43	G	94.9	Very high	95.4	Very high	26 Å²	26	45.3 Å²	45.3	27%	0.268	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-167.4	176.8	0	0	0	0	0	112.3	T49 V50	G43-T49 WeakPolarHBondContact O-CA 3.24Å; G43-V50 PolarHBondContact N-O 2.81Å; G43-V50 PolarHBondContact O-N 2.81Å
44	S	93.8	Very high	95.6	Very high	83 Å²	83	43.9 Å²	43.9	58%	0.58	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.9	174.3	-171.1	0	0	0	0	110.4	Q48	S44-Q48 CarbonylContact C-O 3.58Å; S44-Q48 VanDerWaalsContact CA-O 3.3Å; S44-Q48 WeakPolarHBondContact CA-O 3.21Å
45	F	94.3	Very high	95.9	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.057	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	128.4	172.3	-170.3	-105.2	0	0	0	108.7	V4 S47 Q48 V50 F52 Y111 V113 F148 M164 L167	V4-F45 HydrophobicContact CG2-CB 4.22Å; V4-F45 HydrophobicContact CG2-CD1 3.97Å; V4-F45 HydrophobicContact CG2-CG 4.06Å; F45-S47 PolarHBondContact O-N 2.61Å; F45-Q48 PolarHBondContact N-O 3.46Å; F45-Q48 PolarHBondContact O-N 3Å; F45-V50 HydrophobicContact CB-CB 4.36Å; F45-V50 HydrophobicContact CB-CG1 3.94Å; F45-V50 HydrophobicContact CB-CG2 3.49Å; F45-V50 VanDerWaalsContact CB-CG2 3.49Å; F45-F52 HydrophobicContact CB-CE1 4.36Å; F45-F52 HydrophobicContact CB-CZ 3.87Å; F45-F52 HydrophobicContact CD2-CE1 4.14Å; F45-F52 HydrophobicContact CD2-CZ 4.08Å; F45-F52 HydrophobicContact CG-CE1 4.48Å; F45-F52 HydrophobicContact CG-CZ 4.35Å; F45-Y111 HydrophobicContact CD1-CD2 4.16Å; F45-Y111 HydrophobicContact CD1-CE2 4.38Å; F45-Y111 HydrophobicContact CD1-CG 4.38Å; F45-Y111 HydrophobicContact CE1-CD1 4.21Å; F45-Y111 HydrophobicContact CE1-CD2 4.28Å; F45-Y111 HydrophobicContact CE1-CG 4.03Å; F45-V113 HydrophobicContact CE2-CG2 4.08Å; F45-V113 HydrophobicContact CZ-CG2 4.15Å; F45-F148 HydrophobicContact CE1-CD2 4.24Å; F45-F148 AromaticContact CE1-CE2 3.91Å; F45-F148 HydrophobicContact CE1-CE2 3.91Å; F45-F148 HydrophobicContact CE1-CZ 4.45Å; F45-F148 AromaticContact CZ-CD2 3.76Å; F45-F148 HydrophobicContact CZ-CD2 3.76Å; F45-F148 AromaticContact CZ-CE2 3.84Å; F45-F148 HydrophobicContact CZ-CE2 3.84Å; F45-F148 HydrophobicContact CZ-CG 4.21Å; F45-F148 HydrophobicContact CZ-CZ 4.35Å; F45-M164 HydrophobicContact CD2-CE 3.56Å; F45-M164 HydrophobicContact CE2-CE 3.88Å; F45-L167 HydrophobicContact CE2-CD1 3.58Å; F45-L167 HydrophobicContact CZ-CD1 3.96Å
46	Q	87.9	Confident	96.1	Very high	99 Å²	99	39.9 Å²	39.9	46%	0.463	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	45	-175.4	-62.2	-175	-15.4	0	0	113	Q48 Y111	Q46-Q48 PolarHBondContact O-N 2.89Å; Q46-Q48 VanDerWaalsContact O-N 3.15Å; Q46-Y111 PolarHBondContact OE1-OH 3.14Å
47	S	88.8	Confident	96.1	Very high	123 Å²	123	39.9 Å²	39.9	86%	0.86	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	17.9	-178.4	-51.1	0	0	0	0	115.3	F45	F45-S47 PolarHBondContact O-N 2.61Å
48	Q	91.5	Very high	96.1	Very high	77 Å²	77	41.3 Å²	41.3	36%	0.36	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.1	175.2	-61.9	-177.4	12.3	0	0	110.9	S44 F45 Q46 V50	S44-Q48 CarbonylContact C-O 3.58Å; S44-Q48 VanDerWaalsContact CA-O 3.3Å; S44-Q48 WeakPolarHBondContact CA-O 3.21Å; F45-Q48 PolarHBondContact N-O 3.46Å; F45-Q48 PolarHBondContact O-N 3Å; Q46-Q48 PolarHBondContact O-N 2.89Å; Q46-Q48 VanDerWaalsContact O-N 3.15Å; Q48-V50 HydrophobicContact CB-CG1 4.42Å; Q48-V50 PolarHBondContact O-N 3.12Å
49	T	95.4	Very high	95.9	Very high	103 Å²	103	42 Å²	42	63%	0.632	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	122.7	168.7	-52.5	0	0	0	0	109.4	M1 G43	M1-T49 HydrophobicContact SD-CG2 4.1Å; G43-T49 WeakPolarHBondContact O-CA 3.24Å
50	V	96.8	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.8	-178.4	-58.4	0	0	0	0	111.3	R2 V4 N42 G43 F45 Q48 F52	R2-V50 HydrophobicContact CB-CG1 4.19Å; R2-V50 WeakPolarHBondContact O-CA 3.09Å; V4-V50 HydrophobicContact CG2-CB 3.99Å; V4-V50 HydrophobicContact CG2-CG1 4.23Å; V4-V50 HydrophobicContact CG2-CG2 3.78Å; N42-V50 WeakPolarHBondContact CA-O 3.16Å; G43-V50 PolarHBondContact N-O 2.81Å; G43-V50 PolarHBondContact O-N 2.81Å; F45-V50 HydrophobicContact CB-CB 4.36Å; F45-V50 HydrophobicContact CB-CG1 3.94Å; F45-V50 HydrophobicContact CB-CG2 3.49Å; F45-V50 VanDerWaalsContact CB-CG2 3.49Å; Q48-V50 HydrophobicContact CB-CG1 4.42Å; Q48-V50 PolarHBondContact O-N 3.12Å; V50-F52 HydrophobicContact CG2-CD2 4.09Å; V50-F52 HydrophobicContact CG2-CE1 4.16Å; V50-F52 HydrophobicContact CG2-CE2 3.71Å; V50-F52 HydrophobicContact CG2-CG 4.49Å; V50-F52 HydrophobicContact CG2-CZ 3.75Å
51	R	97.5	Very high	95.6	Very high	109 Å²	109	43.6 Å²	43.6	41%	0.411	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.5	164.6	-174.5	-179.9	-175	169.4	4.8	109	M1 R2 T3 V4 E40	M1-R51 HydrophobicContact CE-CB 3.93Å; R2-R51 PolarHBondContact O-N 3.22Å; T3-R51 CarbonylContact C-O 3.56Å; T3-R51 VanDerWaalsContact CA-O 3.3Å; T3-R51 WeakPolarHBondContact CA-O 3.37Å; V4-R51 PolarHBondContact N-O 2.83Å; E40-R51 IonicContact OE2-CZ 3.38Å; E40-R51 IonicContact OE2-NE 3.47Å; E40-R51 PolarHBondContact OE2-NE 3.18Å; E40-R51 IonicContact OE2-NH2 2.61Å; E40-R51 PolarHBondContact OE2-NH2 3.31Å
52	F	98.4	Very high	95.5	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139.5	169.9	-75.3	-68.4	0	0	0	110.7	V4 M6 E40 Y41 F45 V50 M164	V4-F52 HydrophobicContact CB-CD1 3.69Å; V4-F52 HydrophobicContact CB-CE1 3.83Å; V4-F52 HydrophobicContact CG1-CD1 3.95Å; V4-F52 HydrophobicContact CG1-CE1 3.86Å; V4-F52 HydrophobicContact CG2-CD1 4.26Å; V4-F52 HydrophobicContact CG2-CE1 4.01Å; M6-F52 HydrophobicContact CE-CB 3.67Å; M6-F52 HydrophobicContact CE-CD1 3.5Å; M6-F52 VanDerWaalsContact CE-CD1 3.5Å; M6-F52 HydrophobicContact CE-CE1 4.4Å; M6-F52 HydrophobicContact CE-CG 3.81Å; M6-F52 HydrophobicContact CG-CD1 4.32Å; M6-F52 HydrophobicContact SD-CD1 3.7Å; M6-F52 HydrophobicContact SD-CE1 4.11Å; E40-F52 VanDerWaalsContact CA-O 3.31Å; E40-F52 WeakPolarHBondContact CA-O 3.25Å; Y41-F52 HydrophobicContact CD1-CB 4.03Å; Y41-F52 HydrophobicContact CD2-CB 3.94Å; Y41-F52 AromaticContact CD2-CD2 3.85Å; Y41-F52 HydrophobicContact CD2-CD2 3.85Å; Y41-F52 HydrophobicContact CD2-CG 4.3Å; Y41-F52 HydrophobicContact CE1-CB 3.73Å; Y41-F52 HydrophobicContact CE2-CB 3.63Å; Y41-F52 AromaticContact CE2-CD2 3.35Å; Y41-F52 HydrophobicContact CE2-CD2 3.35Å; Y41-F52 HydrophobicContact CE2-CE2 4.22Å; Y41-F52 AromaticContact CE2-CG 3.7Å; Y41-F52 HydrophobicContact CE2-CG 3.7Å; Y41-F52 HydrophobicContact CG-CB 4.13Å; Y41-F52 AromaticContact CZ-CD2 3.97Å; Y41-F52 AromaticContact CZ-CG 3.83Å; Y41-F52 PolarHBondContact N-O 2.88Å; Y41-F52 VanDerWaalsContact N-O 3.16Å; Y41-F52 PolarHBondContact O-N 2.95Å; F45-F52 HydrophobicContact CB-CE1 4.36Å; F45-F52 HydrophobicContact CB-CZ 3.87Å; F45-F52 HydrophobicContact CD2-CE1 4.14Å; F45-F52 HydrophobicContact CD2-CZ 4.08Å; F45-F52 HydrophobicContact CG-CE1 4.48Å; F45-F52 HydrophobicContact CG-CZ 4.35Å; V50-F52 HydrophobicContact CG2-CD2 4.09Å; V50-F52 HydrophobicContact CG2-CE1 4.16Å; V50-F52 HydrophobicContact CG2-CE2 3.71Å; V50-F52 HydrophobicContact CG2-CG 4.49Å; V50-F52 HydrophobicContact CG2-CZ 3.75Å; F52-M164 HydrophobicContact CE1-CE 3.56Å; F52-M164 HydrophobicContact CE2-CE 4.5Å; F52-M164 HydrophobicContact CZ-CE 3.42Å; F52-M164 VanDerWaalsContact CZ-CE 3.42Å
53	K	98.1	Very high	95.4	Very high	23 Å²	23	40.6 Å²	40.6	10%	0.1	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	89.8	178.3	-172.4	178.4	-172.4	-177.6	0	109	T3 V4 L5 M6 V38 E40 E105	T3-K53 HydrophobicContact CG2-CB 4.26Å; V4-K53 PolarHBondContact O-N 2.95Å; L5-K53 CarbonylContact C-O 3.52Å; L5-K53 WeakPolarHBondContact CA-O 3.26Å; L5-K53 HydrophobicContact CD1-CD 4.34Å; L5-K53 HydrophobicContact CD1-CG 4.36Å; M6-K53 PolarHBondContact N-O 2.82Å; V38-K53 HydrophobicContact CG1-CD 4.28Å; V38-K53 HydrophobicContact CG1-CG 3.53Å; E40-K53 HydrophobicContact CG-CG 4.2Å; K53-E105 WeakPolarHBondContact CE-O 3.4Å; K53-E105 WeakPolarHBondContact CE-OE2 3.13Å; K53-E105 PolarHBondContact NZ-O 2.77Å; K53-E105 IonicContact NZ-OE2 3.47Å; K53-E105 PolarHBondContact NZ-OE2 2.88Å
54	M	98.6	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.8	179.3	176.3	66.4	80.1	0	0	111.1	M6 A8 A14 I17 A18 V38 H39 W115	M6-M54 HydrophobicContact CB-CB 4.22Å; M6-M54 HydrophobicContact CB-CE 3.51Å; M6-M54 HydrophobicContact CB-SD 3.53Å; M6-M54 VanDerWaalsContact CB-SD 3.53Å; M6-M54 HydrophobicContact CE-CB 3.88Å; M6-M54 HydrophobicContact CE-CE 3.86Å; M6-M54 HydrophobicContact CG-CE 4.33Å; M6-M54 CarbonylContact O-C 3.58Å; M6-M54 WeakPolarHBondContact O-CA 3.44Å; M6-M54 HydrophobicContact SD-CE 3.91Å; A8-M54 HydrophobicContact CB-SD 4.49Å; A14-M54 HydrophobicContact CB-CG 4Å; A14-M54 HydrophobicContact CB-SD 4.3Å; A14-M54 WeakPolarHBondContact O-CG 3.29Å; I17-M54 HydrophobicContact CB-CE 4.11Å; I17-M54 HydrophobicContact CG2-CE 3.51Å; A18-M54 HydrophobicContact CB-CB 4.06Å; A18-M54 HydrophobicContact CB-CG 3.96Å; V38-M54 CarbonylContact C-O 3.49Å; V38-M54 WeakPolarHBondContact CA-O 3.3Å; H39-M54 HydrophobicContact CB-CB 4.25Å; H39-M54 PolarHBondContact N-O 3.49Å; H39-M54 PolarHBondContact O-N 3.42Å; M54-W115 HydrophobicContact CE-CB 4.45Å; M54-W115 HydrophobicContact CE-CD2 4.35Å; M54-W115 HydrophobicContact CE-CG 3.91Å
55	T	98.6	Very high	95.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-171	172.7	-163.9	0	0	0	0	110.2	L5 M6 V7 A8 A14 S37 F101	L5-T55 HydrophobicContact CD1-CG2 4.25Å; M6-T55 PolarHBondContact O-N 3.42Å; V7-T55 WeakPolarHBondContact CA-O 3.29Å; V7-T55 HydrophobicContact CG2-CG2 4.34Å; A8-T55 PolarHBondContact N-O 2.93Å; A14-T55 WeakPolarHBondContact CB-O 3.27Å; S37-T55 WeakPolarHBondContact O-CB 3.38Å; S37-T55 PolarHBondContact O-OG1 3.13Å; T55-F101 HydrophobicContact CG2-CE1 4.33Å; T55-F101 HydrophobicContact CG2-CZ 4.42Å; T55-F101 WeakPolarHBondContact OG1-CZ 3.36Å
56	S	98.4	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	167.7	179.7	73.5	0	0	0	0	113	A8 K10 P11 C36 F101	A8-S56 CarbonylContact O-C 3.59Å; A8-S56 WeakPolarHBondContact O-CA 3.06Å; A8-S56 VanDerWaalsContact O-CB 3.29Å; A8-S56 WeakPolarHBondContact O-CB 3.5Å; K10-S56 VanDerWaalsContact C-CB 3.43Å; K10-S56 WeakPolarHBondContact O-CB 3.47Å; P11-S56 VanDerWaalsContact CA-OG 3.22Å; P11-S56 WeakPolarHBondContact CA-OG 3.49Å; C36-S56 PolarHBondContact SG-O 2.84Å; S56-F101 WeakPolarHBondContact O-CE1 2.99Å
57	V	98.1	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.			trans	-94.4	-163.6	154.6	-61.8	0	0	0	0	109.8	V7 A8 E9 P11 G59 V61 M98 L102 L116 I125 V129	V7-V57 HydrophobicContact CG1-CG1 4.09Å; A8-V57 PolarHBondContact O-N 3.49Å; E9-V57 CarbonylContact O-C 3.51Å; E9-V57 WeakPolarHBondContact O-CG2 3.45Å; P11-V57 WeakPolarHBondContact CD-O 3.38Å; V57-G59 VanDerWaalsContact CG2-O 3.27Å; V57-G59 WeakPolarHBondContact CG2-O 3.16Å; V57-V61 HydrophobicContact CB-CG2 3.98Å; V57-V61 HydrophobicContact CG1-CG2 3.54Å; V57-V61 HydrophobicContact CG2-CG2 4.46Å; V57-M98 HydrophobicContact CB-CE 4.38Å; V57-M98 HydrophobicContact CB-CG 4.49Å; V57-M98 HydrophobicContact CB-SD 4.21Å; V57-M98 HydrophobicContact CG1-CG 4.21Å; V57-M98 HydrophobicContact CG1-SD 4.1Å; V57-L102 HydrophobicContact CG1-CD1 3.98Å; V57-L102 HydrophobicContact CG1-CD2 4.06Å; V57-L102 HydrophobicContact CG1-CG 4.42Å; V57-L116 HydrophobicContact CG2-CD2 4.37Å; V57-I125 HydrophobicContact CG2-CG2 3.99Å; V57-V129 HydrophobicContact CG1-CG2 3.77Å
58	C	96.1	Very high	95.6	Very high	54 Å²	54	32 Å²	32	37%	0.365	18%	0.183	S	C	.	.			trans	-132.3	56.6	177.1	-69.9	0	0	0	0	110	E9 L96 M98	E9-C58 PolarHBondContact O-N 2.97Å; C58-L96 HydrophobicContact CB-CD1 4.03Å; C58-M98 HydrophobicContact CB-CE 3.97Å
59	G	94.4	Very high	95.5	Very high	14 Å²	14	34.5 Å²	34.5	14%	0.144	19%	0.193	C	C	.	.	S	Bend	trans	78.4	-152.4	-164.3	0	0	0	0	0	111.6	E9 V57 V61	E9-G59 PolarHBondContact O-N 3.17Å; V57-G59 VanDerWaalsContact CG2-O 3.27Å; V57-G59 WeakPolarHBondContact CG2-O 3.16Å; G59-V61 PolarHBondContact O-N 3.4Å
60	H	94.9	Very high	95.2	Very high	57 Å²	57	30.9 Å²	30.9	26%	0.264	17%	0.168	S	C	.	.			trans	-51	128.5	177.1	-81.3	-82.1	0	0	0	112.5	M62 E121 I125 E128	H60-M62 WeakPolarHBondContact CB-O 3.35Å; H60-E121 IonicContact CE1-OE2 2.6Å; H60-E121 PolarHBondContact CE1-OE2 3.22Å; H60-E121 IonicContact NE2-OE2 2.9Å; H60-E121 PolarHBondContact NE2-OE2 3.07Å; H60-I125 WeakPolarHBondContact ND1-CG1 3.49Å; H60-E128 IonicContact ND1-OE1 3.56Å; H60-E128 PolarHBondContact ND1-OE1 2.83Å; H60-E128 IonicContact ND1-OE2 2.73Å
61	V	96.1	Very high	94.8	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	18%	0.18	C	C	.	.	S	Bend	trans	-76.2	-37.9	173.1	-179.7	0	0	0	0	108.9	V57 G59 E91 A92 M98 V99 L102 I125 E128 V129	V57-V61 HydrophobicContact CB-CG2 3.98Å; V57-V61 HydrophobicContact CG1-CG2 3.54Å; V57-V61 HydrophobicContact CG2-CG2 4.46Å; G59-V61 PolarHBondContact O-N 3.4Å; V61-E91 WeakPolarHBondContact O-CA 2.87Å; V61-A92 PolarHBondContact O-N 3.45Å; V61-M98 HydrophobicContact CB-CG 4.42Å; V61-M98 HydrophobicContact CG1-CB 4.1Å; V61-M98 HydrophobicContact CG1-CG 3.9Å; V61-M98 HydrophobicContact CG2-CG 4Å; V61-V99 HydrophobicContact CG1-CG2 3.95Å; V61-L102 HydrophobicContact CG2-CD1 4.28Å; V61-I125 HydrophobicContact CG2-CG2 4.35Å; V61-E128 WeakPolarHBondContact CA-OE2 3.35Å; V61-E128 HydrophobicContact CB-CB 4.12Å; V61-E128 WeakPolarHBondContact CB-OE2 3.39Å; V61-E128 HydrophobicContact CG2-CB 4.43Å; V61-E128 PolarHBondContact N-OE2 3.25Å; V61-V129 HydrophobicContact CG2-CG2 4.38Å
62	M	96	Very high	94.2	Very high	23 Å²	23	30.6 Å²	30.6	11%	0.113	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	156	-175.9	-54.7	-63.4	-171	0	0	112.6	H60 K89 K90 V99 E128	H60-M62 WeakPolarHBondContact CB-O 3.35Å; M62-K89 HydrophobicContact CB-CB 3.94Å; M62-K89 HydrophobicContact CB-CD 4.01Å; M62-K89 HydrophobicContact CB-CG 4.27Å; M62-K89 HydrophobicContact CG-CB 4.17Å; M62-K89 HydrophobicContact CG-CD 4.33Å; M62-K90 CarbonylContact C-O 3.54Å; M62-K90 VanDerWaalsContact CA-O 3.23Å; M62-K90 WeakPolarHBondContact CA-O 3.38Å; M62-V99 HydrophobicContact CE-CG2 3.47Å; M62-V99 VanDerWaalsContact CE-CG2 3.47Å; M62-V99 HydrophobicContact SD-CG2 4.3Å; M62-E128 HydrophobicContact CB-CG 4.3Å; M62-E128 HydrophobicContact CG-CB 4.31Å; M62-E128 HydrophobicContact CG-CG 4.11Å; M62-E128 PolarHBondContact N-OE2 2.82Å
63	S	94.2	Very high	93.5	Very high	37 Å²	37	32.3 Å²	32.3	26%	0.259	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.5	167.1	59.5	0	0	0	0	108.2	K90	S63-K90 PolarHBondContact N-O 3.03Å; S63-K90 PolarHBondContact O-N 3.02Å; S63-K90 PolarHBondContact OG-O 3.37Å
64	L	94.4	Very high	92.7	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.3	177.9	-166.1	71.3	0	0	0	110.9	T87 K89 Q182 E183 L186 V858	L64-T87 HydrophobicContact CG-CG2 4.49Å; L64-K89 HydrophobicContact CD1-CG 4.04Å; L64-Q182 HydrophobicContact CD2-CB 4.45Å; L64-E183 HydrophobicContact CD2-CB 3.68Å; L64-E183 HydrophobicContact CD2-CG 4.11Å; L64-L186 HydrophobicContact CB-CD2 4.41Å; L64-L186 HydrophobicContact CD2-CD2 4.12Å; L64-L186 HydrophobicContact CG-CD2 4.06Å; L64-V858 WeakPolarHBondContact O-CG2 3.43Å
65	D	94.2	Very high	91.8	Very high	31 Å²	31	43.9 Å²	43.9	17%	0.166	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.5	178.1	-171.8	23.2	0	0	0	110.6	N71 T87 E88 K90	D65-N71 PolarHBondContact OD1-OD1 3.32Å; D65-N71 PolarHBondContact OD2-ND2 2.81Å; D65-T87 CarbonylContact O-C 3.07Å; D65-T87 VanDerWaalsContact O-CA 3.29Å; D65-T87 WeakPolarHBondContact O-CA 3.45Å; D65-E88 PolarHBondContact N-O 3.17Å; D65-E88 PolarHBondContact O-N 2.73Å; D65-K90 HydrophobicContact CB-CD 4.26Å; D65-K90 IonicContact OD2-NZ 2.96Å; D65-K90 PolarHBondContact OD2-NZ 3.13Å
66	F	94.4	Very high	91.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	157.6	173.6	-53.5	-82.3	0	0	0	111.7	N71 L81 A85 T87 K90 L186 R187 C190	F66-N71 VanDerWaalsContact CB-OD1 3.3Å; F66-N71 WeakPolarHBondContact CB-OD1 3.36Å; F66-N71 PolarHBondContact N-OD1 2.83Å; F66-N71 VanDerWaalsContact O-CG 3.32Å; F66-N71 PolarHBondContact O-ND2 2.77Å; F66-N71 PolarHBondContact O-OD1 3.3Å; F66-N71 VanDerWaalsContact O-OD1 3.14Å; F66-L81 HydrophobicContact CD1-CD2 4.23Å; F66-L81 HydrophobicContact CD2-CD2 4.39Å; F66-L81 HydrophobicContact CE1-CB 4.16Å; F66-L81 HydrophobicContact CE1-CD2 4.01Å; F66-L81 HydrophobicContact CE2-CD1 4.33Å; F66-L81 HydrophobicContact CE2-CD2 4.18Å; F66-L81 HydrophobicContact CG-CD2 4.41Å; F66-L81 HydrophobicContact CZ-CB 3.98Å; F66-L81 HydrophobicContact CZ-CD1 4.27Å; F66-L81 HydrophobicContact CZ-CD2 3.98Å; F66-L81 HydrophobicContact CZ-CG 4.29Å; F66-A85 HydrophobicContact CD1-CB 3.64Å; F66-A85 HydrophobicContact CE1-CB 3.99Å; F66-T87 HydrophobicContact CD1-CG2 3.84Å; F66-T87 HydrophobicContact CE1-CG2 4.07Å; F66-K90 PolarHBondContact O-NZ 2.97Å; F66-L186 HydrophobicContact CE2-CD1 4.03Å; F66-L186 HydrophobicContact CE2-CD2 4.31Å; F66-L186 HydrophobicContact CE2-CG 3.94Å; F66-L186 HydrophobicContact CZ-CD2 4.37Å; F66-L186 HydrophobicContact CZ-CG 4.02Å; F66-R187 HydrophobicContact CE1-CG 4.12Å; F66-R187 HydrophobicContact CZ-CG 4.3Å; F66-C190 HydrophobicContact CE2-CB 3.94Å; F66-C190 HydrophobicContact CZ-CB 4.34Å
67	I	92.5	Very high	91.1	Very high	61 Å²	61	48.7 Å²	48.7	31%	0.313	26%	0.262	S	S	.	.			trans	-88.1	134.9	-179.8	-47.8	-173.3	0	0	0	111.4	K69 Y70 P86 E88	I67-K69 PolarHBondContact O-N 2.93Å; I67-Y70 PolarHBondContact O-N 3.4Å; I67-P86 HydrophobicContact CB-CG 3.99Å; I67-P86 HydrophobicContact CD1-CB 3.75Å; I67-P86 HydrophobicContact CD1-CG 3.85Å; I67-P86 HydrophobicContact CG1-CB 4.15Å; I67-P86 HydrophobicContact CG1-CG 3.98Å; I67-P86 PolarHBondContact N-O 2.84Å; I67-P86 VanDerWaalsContact N-O 3.12Å; I67-E88 HydrophobicContact CD1-CB 3.9Å; I67-E88 HydrophobicContact CD1-CG 4.32Å; I67-E88 HydrophobicContact CG1-CB 3.81Å; I67-E88 HydrophobicContact CG1-CG 3.76Å
68	G	89.9	Confident	90.9	Very high	56 Å²	56	49.3 Å²	49.3	58%	0.577	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	57.5	-119.3	165.2	0	0	0	0	0	114.4	Y70 N71	G68-Y70 PolarHBondContact O-N 3.06Å; G68-Y70 VanDerWaalsContact O-N 3.15Å; G68-N71 PolarHBondContact O-N 2.69Å
69	K	88	Confident	90.8	Very high	129 Å²	129	47.4 Å²	47.4	56%	0.561	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-61.6	-24.4	-173.9	69.5	176.9	-177.5	175.3	0	113.5	I67 N71 N72 V76	I67-K69 PolarHBondContact O-N 2.93Å; K69-N71 PolarHBondContact O-N 3.3Å; K69-N72 PolarHBondContact O-N 2.82Å; K69-N72 VanDerWaalsContact O-N 3.13Å; K69-V76 HydrophobicContact CG-CG1 4.37Å
70	Y	89.9	Confident	90.9	Very high	27 Å²	27	48.9 Å²	48.9	11%	0.106	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-71.3	-8.1	-176.9	-68.9	-71.9	0	0	0	113.8	I67 G68 V76 E80 L81 A85 R194	I67-Y70 PolarHBondContact O-N 3.4Å; G68-Y70 PolarHBondContact O-N 3.06Å; G68-Y70 VanDerWaalsContact O-N 3.15Å; Y70-V76 HydrophobicContact CD1-CB 4.09Å; Y70-V76 HydrophobicContact CD1-CG1 3.72Å; Y70-V76 HydrophobicContact CD1-CG2 4.38Å; Y70-V76 HydrophobicContact CE1-CB 4.43Å; Y70-V76 HydrophobicContact CE1-CG1 4.09Å; Y70-V76 HydrophobicContact CG-CG1 4.41Å; Y70-E80 HydrophobicContact CE1-CB 4.11Å; Y70-E80 WeakPolarHBondContact CE1-OE2 3.39Å; Y70-E80 PolarHBondContact OH-OE2 3Å; Y70-L81 HydrophobicContact CD1-CD2 4.03Å; Y70-A85 HydrophobicContact CD1-CB 3.55Å; Y70-A85 HydrophobicContact CD2-CB 3.98Å; Y70-A85 HydrophobicContact CE1-CB 3.89Å; Y70-A85 HydrophobicContact CE2-CB 4.28Å; Y70-A85 HydrophobicContact CG-CB 3.62Å; Y70-R194 PolarHBondContact O-NH1 2.95Å; Y70-R194 PolarHBondContact O-NH2 2.65Å
71	N	87.1	Confident	90.9	Very high	47 Å²	47	46.1 Å²	46.1	25%	0.251	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-85.9	-12	171.2	-69.7	-13	0	0	0	113.8	D65 F66 G68 K69 K90	D65-N71 PolarHBondContact OD1-OD1 3.32Å; D65-N71 PolarHBondContact OD2-ND2 2.81Å; F66-N71 VanDerWaalsContact CB-OD1 3.3Å; F66-N71 WeakPolarHBondContact CB-OD1 3.36Å; F66-N71 PolarHBondContact N-OD1 2.83Å; F66-N71 VanDerWaalsContact O-CG 3.32Å; F66-N71 PolarHBondContact O-ND2 2.77Å; F66-N71 PolarHBondContact O-OD1 3.3Å; F66-N71 VanDerWaalsContact O-OD1 3.14Å; G68-N71 PolarHBondContact O-N 2.69Å; K69-N71 PolarHBondContact O-N 3.3Å; N71-K90 PolarHBondContact ND2-NZ 3.49Å; N71-K90 VanDerWaalsContact ND2-NZ 3.13Å
72	N	85.8	Confident	90.8	Very high	56 Å²	56	46.1 Å²	46.1	30%	0.299	24%	0.244	S	C	.	.			trans	-87.8	117.6	176.4	-172.6	-55.5	0	0	0	110.3	K69 D74 K75	K69-N72 PolarHBondContact O-N 2.82Å; K69-N72 VanDerWaalsContact O-N 3.13Å; N72-D74 VanDerWaalsContact C-N 3.27Å; N72-D74 PolarHBondContact O-N 3.46Å; N72-D74 WeakPolarHBondContact OD1-CB 3.44Å; N72-D74 PolarHBondContact OD1-N 2.66Å; N72-K75 HydrophobicContact CB-CB 4.19Å; N72-K75 HydrophobicContact CB-CD 4.19Å; N72-K75 HydrophobicContact CB-CG 4.3Å; N72-K75 PolarHBondContact O-N 3.41Å; N72-K75 WeakPolarHBondContact OD1-CG 3.4Å; N72-K75 PolarHBondContact OD1-N 2.98Å
73	W	84.1	Confident	90.5	Very high	43 Å²	43	48.6 Å²	48.6	16%	0.163	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.5	-174.6	-67.5	41.1	0	0	0	113.1	T193 R194 T197	W73-T193 HydrophobicContact CH2-CG2 3.98Å; W73-T193 HydrophobicContact CZ3-CG2 4.15Å; W73-R194 HydrophobicContact CD2-CG 3.65Å; W73-R194 HydrophobicContact CE3-CB 4.25Å; W73-R194 HydrophobicContact CE3-CG 3.61Å; W73-R194 HydrophobicContact CG-CG 4.16Å; W73-R194 HydrophobicContact CH2-CG 4.21Å; W73-R194 HydrophobicContact CZ2-CG 4.27Å; W73-R194 HydrophobicContact CZ3-CG 3.89Å; W73-T197 HydrophobicContact CZ3-CG2 4.26Å
74	D	80.1	Confident	90.3	Very high	108 Å²	108	53.3 Å²	53.3	58%	0.578	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-26.6	-175.5	-62.3	-41.9	0	0	0	113.1	N72 K198	N72-D74 VanDerWaalsContact C-N 3.27Å; N72-D74 PolarHBondContact O-N 3.46Å; N72-D74 WeakPolarHBondContact OD1-CB 3.44Å; N72-D74 PolarHBondContact OD1-N 2.66Å; D74-K198 PolarHBondContact O-NZ 2.76Å
75	K	81.3	Confident	90.2	Very high	159 Å²	159	52.7 Å²	52.7	69%	0.691	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-9	-165.6	-69.1	-175.7	-178.4	-175.1	0	115.2	N72	N72-K75 HydrophobicContact CB-CB 4.19Å; N72-K75 HydrophobicContact CB-CD 4.19Å; N72-K75 HydrophobicContact CB-CG 4.3Å; N72-K75 PolarHBondContact O-N 3.41Å; N72-K75 WeakPolarHBondContact OD1-CG 3.4Å; N72-K75 PolarHBondContact OD1-N 2.98Å
76	V	88.2	Confident	90.2	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	29%	0.288	C	S	.	.	S	Bend	trans	-125.1	143	-176.4	-58.5	0	0	0	0	111.2	K69 Y70 P78 L81	K69-V76 HydrophobicContact CG-CG1 4.37Å; Y70-V76 HydrophobicContact CD1-CB 4.09Å; Y70-V76 HydrophobicContact CD1-CG1 3.72Å; Y70-V76 HydrophobicContact CD1-CG2 4.38Å; Y70-V76 HydrophobicContact CE1-CB 4.43Å; Y70-V76 HydrophobicContact CE1-CG1 4.09Å; Y70-V76 HydrophobicContact CG-CG1 4.41Å; V76-P78 WeakPolarHBondContact O-CD 3.25Å; V76-L81 HydrophobicContact CG2-CD2 4.43Å
77	D	92.4	Very high	90.2	Very high	94 Å²	94	55.8 Å²	55.8	50%	0.503	30%	0.298	S	S	.	.			trans	-70.4	122.7	167.8	177.4	-8.6	0	0	0	108.2	A79 E80	D77-A79 PolarHBondContact O-N 3.39Å; D77-A79 VanDerWaalsContact O-N 3.12Å; D77-A79 WeakPolarHBondContact OD1-CB 3.31Å; D77-A79 PolarHBondContact OD1-N 2.76Å; D77-E80 HydrophobicContact CB-CG 4.18Å; D77-E80 WeakPolarHBondContact O-CB 3.48Å; D77-E80 PolarHBondContact O-N 3.44Å
78	P	94.3	Very high	90.4	Very high	12 Å²	12	56.3 Å²	56.3	8%	0.078	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-55.2	-26.5	178.8	-25	34.4	0	0	0	114.3	V76 E80 L81 A191 R194 F195 F593	V76-P78 WeakPolarHBondContact O-CD 3.25Å; P78-E80 PolarHBondContact O-N 2.8Å; P78-L81 WeakPolarHBondContact O-CB 3.15Å; P78-L81 WeakPolarHBondContact O-CG 3.27Å; P78-L81 PolarHBondContact O-N 3.26Å; P78-L81 VanDerWaalsContact O-N 3.16Å; P78-A191 WeakPolarHBondContact CB-O 3.49Å; P78-R194 HydrophobicContact CG-CB 4.27Å; P78-F195 HydrophobicContact CB-CB 4.21Å; P78-F195 HydrophobicContact CG-CB 4.06Å; P78-F593 HydrophobicContact CB-CZ 3.93Å
79	A	95.3	Very high	90.6	Very high	15 Å²	15	57.4 Å²	57.4	12%	0.124	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.2	175.5	0	0	0	0	0	112.9	D77 L81 F593	D77-A79 PolarHBondContact O-N 3.39Å; D77-A79 VanDerWaalsContact O-N 3.12Å; D77-A79 WeakPolarHBondContact OD1-CB 3.31Å; D77-A79 PolarHBondContact OD1-N 2.76Å; A79-L81 PolarHBondContact O-N 3.41Å; A79-F593 HydrophobicContact CB-CD1 4.38Å; A79-F593 HydrophobicContact CB-CE1 3.9Å
80	E	95	Very high	90.9	Very high	44 Å²	44	54.4 Å²	54.4	21%	0.206	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-69	-20.8	178.4	-62.5	-157.1	152.7	0	0	113	Y70 D77 P78 F82 S83 K84 A85	Y70-E80 HydrophobicContact CE1-CB 4.11Å; Y70-E80 WeakPolarHBondContact CE1-OE2 3.39Å; Y70-E80 PolarHBondContact OH-OE2 3Å; D77-E80 HydrophobicContact CB-CG 4.18Å; D77-E80 WeakPolarHBondContact O-CB 3.48Å; D77-E80 PolarHBondContact O-N 3.44Å; P78-E80 PolarHBondContact O-N 2.8Å; E80-F82 PolarHBondContact O-N 3.24Å; E80-S83 PolarHBondContact O-N 2.82Å; E80-K84 HydrophobicContact CB-CB 4.18Å; E80-K84 HydrophobicContact CB-CD 4.29Å; E80-K84 HydrophobicContact CG-CD 3.93Å; E80-K84 PolarHBondContact O-N 2.98Å; E80-K84 IonicContact OE1-NZ 2.75Å; E80-K84 PolarHBondContact OE1-NZ 2.97Å; E80-A85 PolarHBondContact O-N 3.17Å
81	L	95.4	Very high	91.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-68	-18.8	-177.1	-58	-177.8	0	0	0	113.3	F66 Y70 V76 P78 A79 A85 R187 C190 A191	F66-L81 HydrophobicContact CD1-CD2 4.23Å; F66-L81 HydrophobicContact CD2-CD2 4.39Å; F66-L81 HydrophobicContact CE1-CB 4.16Å; F66-L81 HydrophobicContact CE1-CD2 4.01Å; F66-L81 HydrophobicContact CE2-CD1 4.33Å; F66-L81 HydrophobicContact CE2-CD2 4.18Å; F66-L81 HydrophobicContact CG-CD2 4.41Å; F66-L81 HydrophobicContact CZ-CB 3.98Å; F66-L81 HydrophobicContact CZ-CD1 4.27Å; F66-L81 HydrophobicContact CZ-CD2 3.98Å; F66-L81 HydrophobicContact CZ-CG 4.29Å; Y70-L81 HydrophobicContact CD1-CD2 4.03Å; V76-L81 HydrophobicContact CG2-CD2 4.43Å; P78-L81 WeakPolarHBondContact O-CB 3.15Å; P78-L81 WeakPolarHBondContact O-CG 3.27Å; P78-L81 PolarHBondContact O-N 3.26Å; P78-L81 VanDerWaalsContact O-N 3.16Å; A79-L81 PolarHBondContact O-N 3.41Å; L81-A85 HydrophobicContact CD2-CB 3.86Å; L81-R187 WeakPolarHBondContact O-CG 3.4Å; L81-R187 PolarHBondContact O-NH1 3.42Å; L81-C190 HydrophobicContact CD1-CB 3.96Å; L81-A191 HydrophobicContact CB-CB 4.42Å
82	F	94.8	Very high	91.4	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.013	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-75.3	-35.3	177.5	-71.9	-81.6	0	0	0	113.9	E80 I188 A191 F192 L586 F589 K590 F593	E80-F82 PolarHBondContact O-N 3.24Å; F82-I188 HydrophobicContact CE1-CG1 4.19Å; F82-A191 HydrophobicContact CD2-CB 4.09Å; F82-A191 HydrophobicContact CE1-CB 4.47Å; F82-A191 HydrophobicContact CE2-CB 3.32Å; F82-A191 HydrophobicContact CZ-CB 3.55Å; F82-F192 HydrophobicContact CZ-CD2 4.41Å; F82-F192 HydrophobicContact CZ-CE2 4.11Å; F82-L586 HydrophobicContact CD1-CD2 4.21Å; F82-F589 HydrophobicContact CE1-CB 3.89Å; F82-K590 HydrophobicContact CB-CB 4.14Å; F82-K590 HydrophobicContact CB-CD 4.11Å; F82-K590 HydrophobicContact CB-CG 4.16Å; F82-K590 HydrophobicContact CD1-CB 3.98Å; F82-K590 HydrophobicContact CD2-CB 4.27Å; F82-K590 HydrophobicContact CD2-CG 4.24Å; F82-K590 HydrophobicContact CE1-CB 4.48Å; F82-K590 HydrophobicContact CG-CB 3.87Å; F82-K590 HydrophobicContact CG-CG 4.13Å; F82-F593 HydrophobicContact CE2-CB 3.64Å; F82-F593 AromaticContact CE2-CD1 3.77Å; F82-F593 HydrophobicContact CE2-CD1 3.77Å; F82-F593 HydrophobicContact CE2-CD2 4.05Å; F82-F593 HydrophobicContact CE2-CE1 4.48Å; F82-F593 AromaticContact CE2-CG 3.52Å; F82-F593 HydrophobicContact CE2-CG 3.52Å; F82-F593 HydrophobicContact CZ-CB 3.65Å; F82-F593 HydrophobicContact CZ-CD2 4.27Å; F82-F593 AromaticContact CZ-CG 3.92Å; F82-F593 HydrophobicContact CZ-CG 3.92Å
83	S	89.6	Confident	91.8	Very high	75 Å²	75	56.5 Å²	56.5	52%	0.524	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-26.3	-167.8	-40.2	0	0	0	0	115.3	E80 K590	E80-S83 PolarHBondContact O-N 2.82Å; S83-K590 PolarHBondContact OG-NZ 2.62Å
84	K	89.8	Confident	92.2	Very high	137 Å²	137	58.8 Å²	58.8	60%	0.596	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-31.8	-175.2	-64.1	-176.8	-173.8	172.5	0	112.7	E80 P86	E80-K84 HydrophobicContact CB-CB 4.18Å; E80-K84 HydrophobicContact CB-CD 4.29Å; E80-K84 HydrophobicContact CG-CD 3.93Å; E80-K84 PolarHBondContact O-N 2.98Å; E80-K84 IonicContact OE1-NZ 2.75Å; E80-K84 PolarHBondContact OE1-NZ 2.97Å; K84-P86 VanDerWaalsContact O-CD 3.26Å; K84-P86 WeakPolarHBondContact O-CD 3.35Å
85	A	92.4	Very high	92.9	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.017	33%	0.326	C	S	.	.	S	Bend	trans	-73.9	115.8	-178.6	0	0	0	0	0	110.3	F66 Y70 E80 L81 R187	F66-A85 HydrophobicContact CD1-CB 3.64Å; F66-A85 HydrophobicContact CE1-CB 3.99Å; Y70-A85 HydrophobicContact CD1-CB 3.55Å; Y70-A85 HydrophobicContact CD2-CB 3.98Å; Y70-A85 HydrophobicContact CE1-CB 3.89Å; Y70-A85 HydrophobicContact CE2-CB 4.28Å; Y70-A85 HydrophobicContact CG-CB 3.62Å; E80-A85 PolarHBondContact O-N 3.17Å; L81-A85 HydrophobicContact CD2-CB 3.86Å; A85-R187 PolarHBondContact O-NH1 3.09Å; A85-R187 PolarHBondContact O-NH2 2.88Å
86	P	94.4	Very high	93.5	Very high	60 Å²	60	57 Å²	57	39%	0.39	30%	0.302	S	S	.	.			trans	-70.7	149.9	171.6	31.5	-34.4	0	0	0	109.9	I67 K84	I67-P86 HydrophobicContact CB-CG 3.99Å; I67-P86 HydrophobicContact CD1-CB 3.75Å; I67-P86 HydrophobicContact CD1-CG 3.85Å; I67-P86 HydrophobicContact CG1-CB 4.15Å; I67-P86 HydrophobicContact CG1-CG 3.98Å; I67-P86 PolarHBondContact N-O 2.84Å; I67-P86 VanDerWaalsContact N-O 3.12Å; K84-P86 VanDerWaalsContact O-CD 3.26Å; K84-P86 WeakPolarHBondContact O-CD 3.35Å
87	T	94.7	Very high	93.9	Very high	35 Å²	35	58.9 Å²	58.9	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.7	175	44.4	0	0	0	0	109.5	L64 D65 F66 L186 R187	L64-T87 HydrophobicContact CG-CG2 4.49Å; D65-T87 CarbonylContact O-C 3.07Å; D65-T87 VanDerWaalsContact O-CA 3.29Å; D65-T87 WeakPolarHBondContact O-CA 3.45Å; F66-T87 HydrophobicContact CD1-CG2 3.84Å; F66-T87 HydrophobicContact CE1-CG2 4.07Å; T87-L186 HydrophobicContact CG2-CD2 4.19Å; T87-R187 PolarHBondContact OG1-NH2 2.77Å
88	E	95.1	Very high	94.1	Very high	72 Å²	72	54.8 Å²	54.8	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.1	174.3	71.1	-169.9	165.5	0	0	110.2	D65 I67 K90	D65-E88 PolarHBondContact N-O 3.17Å; D65-E88 PolarHBondContact O-N 2.73Å; I67-E88 HydrophobicContact CD1-CB 3.9Å; I67-E88 HydrophobicContact CD1-CG 4.32Å; I67-E88 HydrophobicContact CG1-CB 3.81Å; I67-E88 HydrophobicContact CG1-CG 3.76Å; E88-K90 HydrophobicContact CG-CG 4Å; E88-K90 WeakPolarHBondContact OE1-CE 3.4Å; E88-K90 IonicContact OE1-NZ 2.98Å; E88-K90 PolarHBondContact OE1-NZ 3.38Å
89	K	94.1	Very high	94.3	Very high	80 Å²	80	55.3 Å²	55.3	35%	0.348	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.9	169.7	-75.9	-165.6	178.6	-162.5	0	108.8	M62 L64 E128 D179	M62-K89 HydrophobicContact CB-CB 3.94Å; M62-K89 HydrophobicContact CB-CD 4.01Å; M62-K89 HydrophobicContact CB-CG 4.27Å; M62-K89 HydrophobicContact CG-CB 4.17Å; M62-K89 HydrophobicContact CG-CD 4.33Å; L64-K89 HydrophobicContact CD1-CG 4.04Å; K89-E128 IonicContact NZ-OE1 2.97Å; K89-D179 VanDerWaalsContact CE-OD1 3.3Å; K89-D179 WeakPolarHBondContact CE-OD1 3.37Å; K89-D179 IonicContact NZ-OD1 3.94Å; K89-D179 PolarHBondContact NZ-OD1 2.83Å; K89-D179 IonicContact NZ-OD2 2.72Å
90	K	94.1	Very high	94.4	Very high	65 Å²	65	60.7 Å²	60.7	28%	0.283	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	155.4	173.9	-63.6	179.5	-174.4	158.3	0	109.5	M62 S63 D65 F66 N71 E88 A92	M62-K90 CarbonylContact C-O 3.54Å; M62-K90 VanDerWaalsContact CA-O 3.23Å; M62-K90 WeakPolarHBondContact CA-O 3.38Å; S63-K90 PolarHBondContact N-O 3.03Å; S63-K90 PolarHBondContact O-N 3.02Å; S63-K90 PolarHBondContact OG-O 3.37Å; D65-K90 HydrophobicContact CB-CD 4.26Å; D65-K90 IonicContact OD2-NZ 2.96Å; D65-K90 PolarHBondContact OD2-NZ 3.13Å; F66-K90 PolarHBondContact O-NZ 2.97Å; N71-K90 PolarHBondContact ND2-NZ 3.49Å; N71-K90 VanDerWaalsContact ND2-NZ 3.13Å; E88-K90 HydrophobicContact CG-CG 4Å; E88-K90 WeakPolarHBondContact OE1-CE 3.4Å; E88-K90 IonicContact OE1-NZ 2.98Å; E88-K90 PolarHBondContact OE1-NZ 3.38Å; K90-A92 PolarHBondContact O-N 2.94Å; K90-A92 VanDerWaalsContact O-N 3.16Å
91	E	94.3	Very high	94.5	Very high	51 Å²	51	58.6 Å²	58.6	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	124.1	173.8	-73.1	-162.4	-155.6	0	0	110.9	V61 N93 P94 S97 M98 V99	V61-E91 WeakPolarHBondContact O-CA 2.87Å; E91-N93 PolarHBondContact O-N 3.44Å; E91-P94 HydrophobicContact CB-CG 4.48Å; E91-P94 WeakPolarHBondContact O-CD 3.44Å; E91-S97 VanDerWaalsContact OE2-CA 3.25Å; E91-S97 WeakPolarHBondContact OE2-CA 3.38Å; E91-M98 PolarHBondContact OE2-N 2.93Å; E91-V99 HydrophobicContact CG-CG2 3.82Å; E91-V99 WeakPolarHBondContact OE1-CB 3.46Å
92	A	93.9	Very high	94.6	Very high	48 Å²	48	58.6 Å²	58.6	40%	0.397	31%	0.307	S	S	.	.	S	Bend	trans	-61.3	-34.8	-177.8	0	0	0	0	0	111.7	V61 K90	V61-A92 PolarHBondContact O-N 3.45Å; K90-A92 PolarHBondContact O-N 2.94Å; K90-A92 VanDerWaalsContact O-N 3.16Å
93	N	94	Very high	94.8	Very high	76 Å²	76	62 Å²	62	41%	0.406	32%	0.323	S	S	.	.	S	Bend	trans	-132.9	91.3	171.9	-172.3	-9.6	0	0	0	110.9	E91 K95 L96	E91-N93 PolarHBondContact O-N 3.44Å; N93-K95 PolarHBondContact O-N 3.24Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 3.07Å; N93-L96 HydrophobicContact CB-CD1 4.11Å; N93-L96 HydrophobicContact CB-CG 4.22Å; N93-L96 PolarHBondContact O-N 2.86Å
94	P	93.1	Very high	95.1	Very high	90 Å²	90	61.6 Å²	61.6	58%	0.584	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-58.6	-23	-176.8	-26.3	35.1	0	0	0	114.2	E91 L96 S97	E91-P94 HydrophobicContact CB-CG 4.48Å; E91-P94 WeakPolarHBondContact O-CD 3.44Å; P94-L96 PolarHBondContact O-N 3.23Å; P94-S97 PolarHBondContact O-N 3.35Å; P94-S97 PolarHBondContact O-OG 2.9Å
95	K	94.3	Very high	95.5	Very high	193 Å²	193	55.5 Å²	55.5	84%	0.839	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-68.2	-25.2	178	-60.9	-179.6	-179.3	176	0	112.7	N93 S97	N93-K95 PolarHBondContact O-N 3.24Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 3.07Å; K95-S97 VanDerWaalsContact C-N 3.34Å
96	L	94.5	Very high	95.7	Very high	36 Å²	36	55.4 Å²	55.4	19%	0.188	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-81.6	-16.9	177.1	-64.5	-179.7	0	0	0	112.4	N33 A35 C58 N93 P94 M98	N33-L96 WeakPolarHBondContact CB-O 3.29Å; A35-L96 HydrophobicContact CB-CD2 3.89Å; C58-L96 HydrophobicContact CB-CD1 4.03Å; N93-L96 HydrophobicContact CB-CD1 4.11Å; N93-L96 HydrophobicContact CB-CG 4.22Å; N93-L96 PolarHBondContact O-N 2.86Å; P94-L96 PolarHBondContact O-N 3.23Å; L96-M98 HydrophobicContact CB-CE 4.39Å; L96-M98 HydrophobicContact CD1-CE 4.21Å; L96-M98 PolarHBondContact O-N 2.78Å
97	S	96.3	Very high	95.7	Very high	48 Å²	48	61.2 Å²	61.2	34%	0.336	30%	0.304	S	S	.	.			trans	46.2	49	-177.6	-61.3	0	0	0	0	111.4	E91 P94 K95 V99 K100 F101	E91-S97 VanDerWaalsContact OE2-CA 3.25Å; E91-S97 WeakPolarHBondContact OE2-CA 3.38Å; P94-S97 PolarHBondContact O-N 3.35Å; P94-S97 PolarHBondContact O-OG 2.9Å; K95-S97 VanDerWaalsContact C-N 3.34Å; S97-V99 PolarHBondContact O-N 3.42Å; S97-K100 PolarHBondContact O-N 3.35Å; S97-F101 PolarHBondContact O-N 2.93Å
98	M	97.6	Very high	95.4	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-38.5	-163.3	-173.9	61	73.8	0	0	111.4	V57 C58 V61 E91 L96 K100 F101 L102	V57-M98 HydrophobicContact CB-CE 4.38Å; V57-M98 HydrophobicContact CB-CG 4.49Å; V57-M98 HydrophobicContact CB-SD 4.21Å; V57-M98 HydrophobicContact CG1-CG 4.21Å; V57-M98 HydrophobicContact CG1-SD 4.1Å; C58-M98 HydrophobicContact CB-CE 3.97Å; V61-M98 HydrophobicContact CB-CG 4.42Å; V61-M98 HydrophobicContact CG1-CB 4.1Å; V61-M98 HydrophobicContact CG1-CG 3.9Å; V61-M98 HydrophobicContact CG2-CG 4Å; E91-M98 PolarHBondContact OE2-N 2.93Å; L96-M98 HydrophobicContact CB-CE 4.39Å; L96-M98 HydrophobicContact CD1-CE 4.21Å; L96-M98 PolarHBondContact O-N 2.78Å; M98-K100 PolarHBondContact O-N 2.81Å; M98-F101 WeakPolarHBondContact O-CB 3.43Å; M98-F101 PolarHBondContact O-N 3.4Å; M98-F101 HydrophobicContact SD-CD1 3.82Å; M98-L102 HydrophobicContact CG-CD1 4.36Å; M98-L102 WeakPolarHBondContact O-CG 3.16Å; M98-L102 PolarHBondContact O-N 2.91Å
99	V	97.4	Very high	95.4	Very high	23 Å²	23	57.8 Å²	57.8	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-46.4	177	176.7	0	0	0	0	110.4	V61 M62 E91 S97 F101 L102 Q103 A132	V61-V99 HydrophobicContact CG1-CG2 3.95Å; M62-V99 HydrophobicContact CE-CG2 3.47Å; M62-V99 VanDerWaalsContact CE-CG2 3.47Å; M62-V99 HydrophobicContact SD-CG2 4.3Å; E91-V99 HydrophobicContact CG-CG2 3.82Å; E91-V99 WeakPolarHBondContact OE1-CB 3.46Å; S97-V99 PolarHBondContact O-N 3.42Å; V99-F101 VanDerWaalsContact C-N 3.34Å; V99-F101 PolarHBondContact O-N 3.39Å; V99-L102 PolarHBondContact O-N 2.71Å; V99-Q103 WeakPolarHBondContact O-CB 3.28Å; V99-Q103 VanDerWaalsContact O-CG 3.29Å; V99-Q103 WeakPolarHBondContact O-CG 3.38Å; V99-Q103 PolarHBondContact O-N 2.95Å; V99-A132 HydrophobicContact CG1-CB 4.1Å
100	K	97.3	Very high	95.4	Very high	128 Å²	128	55.1 Å²	55.1	56%	0.557	28%	0.284	S	S	*	.	H	α-helix	trans	-62.3	-41.6	177.1	-176.9	177.4	179.3	179.7	0	111.7	S97 M98 Q103 V104	S97-K100 PolarHBondContact O-N 3.35Å; M98-K100 PolarHBondContact O-N 2.81Å; K100-Q103 PolarHBondContact O-N 3Å; K100-V104 WeakPolarHBondContact O-CG2 3.38Å; K100-V104 PolarHBondContact O-N 3.17Å
101	F	98	Very high	95.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-51.9	175.2	169.8	-112.1	0	0	0	111.8	L32 C36 V38 T55 S56 S97 M98 V99 Q103 V104 E105	L32-F101 HydrophobicContact CD1-CB 4.41Å; L32-F101 HydrophobicContact CD2-CB 4.43Å; L32-F101 HydrophobicContact CD2-CD2 4.33Å; L32-F101 HydrophobicContact CG-CB 4.25Å; L32-F101 HydrophobicContact CG-CD2 4.01Å; C36-F101 HydrophobicContact CB-CD1 4.24Å; C36-F101 HydrophobicContact CB-CE1 3.47Å; C36-F101 VanDerWaalsContact CB-CE1 3.47Å; C36-F101 HydrophobicContact CB-CE2 4.32Å; C36-F101 HydrophobicContact CB-CZ 3.5Å; V38-F101 HydrophobicContact CG2-CE2 4.29Å; V38-F101 HydrophobicContact CG2-CZ 4.23Å; T55-F101 HydrophobicContact CG2-CE1 4.33Å; T55-F101 HydrophobicContact CG2-CZ 4.42Å; T55-F101 WeakPolarHBondContact OG1-CZ 3.36Å; S56-F101 WeakPolarHBondContact O-CE1 2.99Å; S97-F101 PolarHBondContact O-N 2.93Å; M98-F101 WeakPolarHBondContact O-CB 3.43Å; M98-F101 PolarHBondContact O-N 3.4Å; M98-F101 HydrophobicContact SD-CD1 3.82Å; V99-F101 VanDerWaalsContact C-N 3.34Å; V99-F101 PolarHBondContact O-N 3.39Å; F101-Q103 VanDerWaalsContact C-N 3.33Å; F101-Q103 PolarHBondContact O-N 3.25Å; F101-V104 PolarHBondContact O-N 3.45Å; F101-E105 HydrophobicContact CD2-CG 3.92Å; F101-E105 HydrophobicContact CE2-CG 3.48Å; F101-E105 VanDerWaalsContact CE2-CG 3.48Å; F101-E105 HydrophobicContact CZ-CG 3.95Å; F101-E105 WeakPolarHBondContact O-CG 3.33Å; F101-E105 PolarHBondContact O-N 3.35Å
102	L	97.9	Very high	95.6	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-44.4	177.6	-70.7	174.6	0	0	0	111.7	V7 V57 V61 M98 V99 V104 E105 A106 V129 A132 I133	V7-L102 HydrophobicContact CG1-CD2 4.22Å; V57-L102 HydrophobicContact CG1-CD1 3.98Å; V57-L102 HydrophobicContact CG1-CD2 4.06Å; V57-L102 HydrophobicContact CG1-CG 4.42Å; V61-L102 HydrophobicContact CG2-CD1 4.28Å; M98-L102 HydrophobicContact CG-CD1 4.36Å; M98-L102 WeakPolarHBondContact O-CG 3.16Å; M98-L102 PolarHBondContact O-N 2.91Å; V99-L102 PolarHBondContact O-N 2.71Å; L102-V104 PolarHBondContact O-N 3.23Å; L102-E105 PolarHBondContact O-N 2.93Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.19Å; L102-V129 HydrophobicContact CD1-CG2 4.22Å; L102-A132 HydrophobicContact CB-CB 4.29Å; L102-A132 HydrophobicContact CD1-CB 4.01Å; L102-I133 HydrophobicContact CB-CG2 3.77Å
103	Q	97.5	Very high	95.8	Very high	73 Å²	73	47.7 Å²	47.7	34%	0.341	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-41.9	178.2	-75.8	172.6	-8.5	0	0	113.1	V99 K100 F101 R107 A132 V136	V99-Q103 WeakPolarHBondContact O-CB 3.28Å; V99-Q103 VanDerWaalsContact O-CG 3.29Å; V99-Q103 WeakPolarHBondContact O-CG 3.38Å; V99-Q103 PolarHBondContact O-N 2.95Å; K100-Q103 PolarHBondContact O-N 3Å; F101-Q103 VanDerWaalsContact C-N 3.33Å; F101-Q103 PolarHBondContact O-N 3.25Å; Q103-R107 WeakPolarHBondContact O-CB 3.33Å; Q103-R107 PolarHBondContact O-N 3.03Å; Q103-R107 VanDerWaalsContact O-N 3.13Å; Q103-A132 WeakPolarHBondContact CG-O 3.28Å; Q103-V136 HydrophobicContact CB-CG1 4.5Å; Q103-V136 HydrophobicContact CB-CG2 4.41Å; Q103-V136 HydrophobicContact CG-CG1 4.39Å; Q103-V136 HydrophobicContact CG-CG2 4.46Å
104	V	97.4	Very high	96	Very high	68 Å²	68	44.1 Å²	44.1	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-64.7	-44.1	177.5	167.1	0	0	0	0	110.5	L32 K100 F101 L102	L32-V104 HydrophobicContact CD2-CB 3.78Å; L32-V104 HydrophobicContact CD2-CG1 3.99Å; L32-V104 HydrophobicContact CD2-CG2 3.71Å; K100-V104 WeakPolarHBondContact O-CG2 3.38Å; K100-V104 PolarHBondContact O-N 3.17Å; F101-V104 PolarHBondContact O-N 3.45Å; L102-V104 PolarHBondContact O-N 3.23Å
105	E	97.3	Very high	96.3	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-77.8	-27.2	-176.6	-60.4	-58.2	169.3	0	0	113.4	R29 V38 K53 F101 L102	R29-E105 IonicContact CZ-OE1 2.66Å; R29-E105 IonicContact CZ-OE2 3.69Å; R29-E105 IonicContact NH1-OE1 3.44Å; R29-E105 PolarHBondContact NH1-OE1 3.15Å; R29-E105 IonicContact NH1-OE2 3.93Å; R29-E105 IonicContact NH2-OE1 2.95Å; R29-E105 IonicContact NH2-OE2 3.06Å; R29-E105 PolarHBondContact NH2-OE2 3.35Å; V38-E105 HydrophobicContact CG2-CG 4.07Å; K53-E105 WeakPolarHBondContact CE-O 3.4Å; K53-E105 WeakPolarHBondContact CE-OE2 3.13Å; K53-E105 PolarHBondContact NZ-O 2.77Å; K53-E105 IonicContact NZ-OE2 3.47Å; K53-E105 PolarHBondContact NZ-OE2 2.88Å; F101-E105 HydrophobicContact CD2-CG 3.92Å; F101-E105 HydrophobicContact CE2-CG 3.48Å; F101-E105 VanDerWaalsContact CE2-CG 3.48Å; F101-E105 HydrophobicContact CZ-CG 3.95Å; F101-E105 WeakPolarHBondContact O-CG 3.33Å; F101-E105 PolarHBondContact O-N 3.35Å; L102-E105 PolarHBondContact O-N 2.93Å
106	A	96.1	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-80.7	-23.1	176.5	0	0	0	0	0	114.1	L5 L102 G108 C109 I133 V136 L137	L5-A106 HydrophobicContact CD2-CB 3.68Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.19Å; A106-G108 PolarHBondContact O-N 2.9Å; A106-C109 VanDerWaalsContact O-CB 3.29Å; A106-C109 WeakPolarHBondContact O-CB 3.33Å; A106-C109 PolarHBondContact O-N 2.79Å; A106-C109 PolarHBondContact O-SG 3.3Å; A106-I133 HydrophobicContact CB-CB 3.58Å; A106-I133 HydrophobicContact CB-CG2 3.6Å; A106-V136 HydrophobicContact CB-CG2 3.87Å; A106-L137 HydrophobicContact CB-CD2 4.22Å
107	R	94.9	Very high	96.6	Very high	183 Å²	183	29 Å²	29	69%	0.691	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	123.8	-179.2	-179.3	178.7	-77.5	169.9	-4.8	110.7	Q103 C109	Q103-R107 WeakPolarHBondContact O-CB 3.33Å; Q103-R107 PolarHBondContact O-N 3.03Å; Q103-R107 VanDerWaalsContact O-N 3.13Å; R107-C109 VanDerWaalsContact C-N 3.34Å
108	G	89.4	Confident	96.6	Very high	32 Å²	32	28 Å²	28	33%	0.33	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	4.9	179.5	0	0	0	0	0	115.1	A106 N138	A106-G108 PolarHBondContact O-N 2.9Å; G108-N138 WeakPolarHBondContact CA-OD1 3.44Å; G108-N138 PolarHBondContact O-ND2 3.08Å
109	C	95.1	Very high	96.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	14%	0.143	C	C	.	.			trans	-82.6	147.2	172.1	-61.6	0	0	0	0	111.3	L5 A106 R107 L137 N138	L5-C109 HydrophobicContact CB-CB 4.1Å; A106-C109 VanDerWaalsContact O-CB 3.29Å; A106-C109 WeakPolarHBondContact O-CB 3.33Å; A106-C109 PolarHBondContact O-N 2.79Å; A106-C109 PolarHBondContact O-SG 3.3Å; R107-C109 VanDerWaalsContact C-N 3.34Å; C109-L137 HydrophobicContact CB-CD2 4.01Å; C109-N138 PolarHBondContact O-N 3.42Å
110	D	93.6	Very high	96.3	Very high	25 Å²	25	29 Å²	29	13%	0.134	14%	0.142	C	C	.	.	S	Bend	trans	-98.9	-34.9	-176.3	-56.5	-71.9	0	0	0	112.3	R2 T3 N138 I141 S146	R2-D110 WeakPolarHBondContact CA-OD2 3.28Å; R2-D110 HydrophobicContact CB-CB 4.25Å; R2-D110 VanDerWaalsContact CB-OD2 3.29Å; R2-D110 WeakPolarHBondContact CB-OD2 3.42Å; R2-D110 HydrophobicContact CG-CB 4.44Å; T3-D110 PolarHBondContact N-OD2 3.02Å; T3-D110 PolarHBondContact O-N 3.45Å; D110-N138 PolarHBondContact OD1-ND2 3.26Å; D110-I141 HydrophobicContact CB-CD1 3.94Å; D110-S146 WeakPolarHBondContact O-CB 3.25Å
111	Y	95.4	Very high	96.2	Very high	8 Å²	8	24.7 Å²	24.7	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.4	-178.3	-59.2	-75.4	0	0	0	111.4	R2 T3 V4 L5 F45 Q46 I141 S146 F148	R2-Y111 PolarHBondContact NH1-OH 3.15Å; T3-Y111 PolarHBondContact O-N 2.94Å; V4-Y111 HydrophobicContact CG2-CD2 3.97Å; V4-Y111 HydrophobicContact CG2-CG 4.43Å; L5-Y111 PolarHBondContact N-O 3.05Å; F45-Y111 HydrophobicContact CD1-CD2 4.16Å; F45-Y111 HydrophobicContact CD1-CE2 4.38Å; F45-Y111 HydrophobicContact CD1-CG 4.38Å; F45-Y111 HydrophobicContact CE1-CD1 4.21Å; F45-Y111 HydrophobicContact CE1-CD2 4.28Å; F45-Y111 HydrophobicContact CE1-CG 4.03Å; Q46-Y111 PolarHBondContact OE1-OH 3.14Å; Y111-I141 HydrophobicContact CD1-CD1 4.36Å; Y111-I141 HydrophobicContact CE1-CD1 3.77Å; Y111-I141 HydrophobicContact CE2-CD1 4.14Å; Y111-S146 CarbonylContact C-O 3.4Å; Y111-S146 WeakPolarHBondContact CA-O 3.47Å; Y111-F148 AromaticContact CD1-CE2 3.96Å; Y111-F148 HydrophobicContact CD1-CE2 3.96Å
112	V	96.4	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.2	174.2	-177.7	0	0	0	0	109.8	L5 L114 I133 L137 S146 F148	L5-V112 HydrophobicContact CB-CG2 4.48Å; L5-V112 CarbonylContact O-C 3.49Å; L5-V112 VanDerWaalsContact O-CA 3.26Å; L5-V112 WeakPolarHBondContact O-CA 3.44Å; V112-L114 HydrophobicContact CG1-CD2 4.16Å; V112-L114 HydrophobicContact CG1-CG 4.35Å; V112-I133 HydrophobicContact CB-CD1 4.31Å; V112-I133 HydrophobicContact CG1-CD1 3.73Å; V112-I133 HydrophobicContact CG2-CD1 3.61Å; V112-L137 HydrophobicContact CG2-CD1 3.7Å; V112-L137 HydrophobicContact CG2-CD2 3.86Å; V112-L137 HydrophobicContact CG2-CG 4.43Å; V112-S146 PolarHBondContact N-O 2.99Å; V112-F148 PolarHBondContact O-N 2.98Å
113	V	98.1	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.4	167.7	-168.9	0	0	0	0	109.7	V4 L5 M6 V7 F45 F148 A150 L167	V4-V113 HydrophobicContact CG1-CG2 3.73Å; L5-V113 PolarHBondContact O-N 3.32Å; M6-V113 VanDerWaalsContact CA-O 3.25Å; M6-V113 WeakPolarHBondContact CA-O 3.47Å; M6-V113 HydrophobicContact CG-CB 4.02Å; M6-V113 HydrophobicContact CG-CG2 4.37Å; V7-V113 PolarHBondContact N-O 3.09Å; V7-V113 VanDerWaalsContact N-O 3.13Å; F45-V113 HydrophobicContact CE2-CG2 4.08Å; F45-V113 HydrophobicContact CZ-CG2 4.15Å; V113-F148 CarbonylContact C-O 3.55Å; V113-F148 WeakPolarHBondContact CA-O 3.25Å; V113-F148 HydrophobicContact CB-CB 4.45Å; V113-F148 HydrophobicContact CG1-CB 4.23Å; V113-F148 HydrophobicContact CG2-CB 4.16Å; V113-A150 HydrophobicContact CG1-CB 4.24Å; V113-L167 HydrophobicContact CG1-CD1 4.13Å; V113-L167 HydrophobicContact CG1-CD2 3.6Å; V113-L167 HydrophobicContact CG2-CD1 4.21Å
114	L	98.6	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.3	-178.8	-61.5	163.5	0	0	0	109.9	V112 L116 C126 V129 L130 V147 F148 R149 A150 P170	V112-L114 HydrophobicContact CG1-CD2 4.16Å; V112-L114 HydrophobicContact CG1-CG 4.35Å; L114-L116 HydrophobicContact CB-CD1 4Å; L114-L116 HydrophobicContact CD2-CD1 3.88Å; L114-C126 HydrophobicContact CD1-CB 3.77Å; L114-C126 HydrophobicContact CD2-CB 4.48Å; L114-V129 HydrophobicContact CD2-CB 4.38Å; L114-V129 HydrophobicContact CD2-CG1 4.01Å; L114-L130 HydrophobicContact CD1-CD1 4.09Å; L114-L130 HydrophobicContact CD1-CD2 4.39Å; L114-L130 HydrophobicContact CD1-CG 4.23Å; L114-V147 HydrophobicContact CD1-CG1 4.15Å; L114-F148 PolarHBondContact N-O 3.02Å; L114-R149 PolarHBondContact O-NH1 3.25Å; L114-A150 PolarHBondContact O-N 3.2Å; L114-P170 HydrophobicContact CD1-CB 4.01Å; L114-P170 HydrophobicContact CD1-CG 4.09Å
115	W	98.5	Very high	96.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	30.3	-177.3	-72.5	92.4	0	0	0	111.8	V7 A8 I17 L21 M54 A150 F152 I160 A163 M164	V7-W115 CarbonylContact O-C 3.44Å; V7-W115 WeakPolarHBondContact O-CA 3.45Å; V7-W115 PolarHBondContact O-N 3.48Å; A8-W115 WeakPolarHBondContact CA-O 3.29Å; A8-W115 HydrophobicContact CB-CB 4.14Å; I17-W115 HydrophobicContact CD1-CB 4.14Å; I17-W115 HydrophobicContact CD1-CD2 4.4Å; I17-W115 HydrophobicContact CD1-CE3 3.96Å; I17-W115 HydrophobicContact CG2-CD2 4Å; I17-W115 HydrophobicContact CG2-CE3 3.92Å; I17-W115 HydrophobicContact CG2-CH2 4.43Å; I17-W115 HydrophobicContact CG2-CZ2 4.5Å; I17-W115 HydrophobicContact CG2-CZ3 4.14Å; L21-W115 HydrophobicContact CD1-CH2 4.2Å; L21-W115 HydrophobicContact CD1-CZ2 3.77Å; M54-W115 HydrophobicContact CE-CB 4.45Å; M54-W115 HydrophobicContact CE-CD2 4.35Å; M54-W115 HydrophobicContact CE-CG 3.91Å; W115-A150 HydrophobicContact CD2-CB 3.55Å; W115-A150 HydrophobicContact CE3-CB 3.52Å; W115-A150 HydrophobicContact CG-CB 4.24Å; W115-A150 HydrophobicContact CH2-CB 3.79Å; W115-A150 HydrophobicContact CZ2-CB 3.82Å; W115-A150 HydrophobicContact CZ3-CB 3.64Å; W115-F152 AromaticContact CE3-CD1 3.96Å; W115-F152 HydrophobicContact CE3-CD1 3.96Å; W115-F152 AromaticContact CE3-CE1 3.89Å; W115-F152 HydrophobicContact CE3-CE1 3.89Å; W115-F152 HydrophobicContact CZ3-CD1 4.21Å; W115-I160 HydrophobicContact CE3-CD1 4.39Å; W115-I160 HydrophobicContact CH2-CG2 3.98Å; W115-I160 HydrophobicContact CZ3-CD1 3.85Å; W115-I160 HydrophobicContact CZ3-CG2 3.99Å; W115-A163 HydrophobicContact CH2-CB 3.97Å; W115-A163 HydrophobicContact CZ3-CB 3.88Å; W115-M164 HydrophobicContact CH2-CB 4.12Å; W115-M164 HydrophobicContact CZ2-CB 4.2Å; W115-M164 HydrophobicContact CZ2-SD 3.86Å
116	L	98.4	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.			trans	-71.3	162.9	175.9	-65.7	93.9	0	0	0	110.2	V7 E9 V57 L114 I125 V129 R149 F152	V7-L116 WeakPolarHBondContact O-CD1 3.45Å; E9-L116 HydrophobicContact CB-CB 4.35Å; E9-L116 HydrophobicContact CB-CG 4.4Å; V57-L116 HydrophobicContact CG2-CD2 4.37Å; L114-L116 HydrophobicContact CB-CD1 4Å; L114-L116 HydrophobicContact CD2-CD1 3.88Å; L116-I125 HydrophobicContact CD2-CB 3.39Å; L116-I125 HydrophobicContact CD2-CG2 3.19Å; L116-V129 HydrophobicContact CD2-CG2 4.5Å; L116-R149 PolarHBondContact O-NH1 3.17Å; L116-R149 PolarHBondContact O-NH2 2.62Å; L116-R149 VanDerWaalsContact O-NH2 3.17Å; L116-F152 WeakPolarHBondContact O-CE1 3.39Å; L116-F152 WeakPolarHBondContact O-CZ 3.32Å
117	D	97.1	Very high	96.4	Very high	2 Å²	2	20 Å²	20	1%	0.011	10%	0.097	C	C	.	.			trans	-61	150.4	179.2	-70.6	-28.5	0	0	0	109.8	E9 L13 D119 G122 R149 Y329 Y336	E9-D117 WeakPolarHBondContact OE2-CB 3.48Å; E9-D117 PolarHBondContact OE2-N 3.41Å; L13-D117 WeakPolarHBondContact CD1-OD1 3.42Å; D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 2.89Å; D117-G122 WeakPolarHBondContact O-CA 3.45Å; D117-R149 PolarHBondContact O-NH2 2.98Å; D117-Y329 VanDerWaalsContact OD1-CE1 3.26Å; D117-Y329 WeakPolarHBondContact OD1-CE1 3.2Å; D117-Y329 PolarHBondContact OD1-OH 2.98Å; D117-Y336 HydrophobicContact CB-CE2 3.66Å
118	C	96.4	Very high	96.5	Very high	26 Å²	26	11.6 Å²	11.6	18%	0.176	7%	0.066	C	C	.	.	S	Bend	trans	-93.8	43.2	-168.1	-58.8	0	0	0	0	113.3	F152 H387	C118-F152 PolarHBondContact SG-N 3.32Å; C118-F152 VanDerWaalsContact SG-N 3.39Å; C118-F152 PolarHBondContact SG-O 2.95Å; C118-F152 VanDerWaalsContact SG-O 3.42Å; C118-H387 PolarHBondContact O-NE2 3.25Å
119	D	95.1	Very high	96.9	Very high	24 Å²	24	10 Å²	10	13%	0.128	5%	0.05	C	C	.	.	S	Bend	trans	-108.5	176.5	166.9	70.8	-2	0	0	0	111.7	D117 E121 G122 E123 Y336 R338	D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 2.89Å; D119-E121 VanDerWaalsContact C-N 3.26Å; D119-E121 PolarHBondContact O-N 3.22Å; D119-E121 PolarHBondContact OD1-N 3.27Å; D119-G122 PolarHBondContact O-N 2.95Å; D119-G122 PolarHBondContact OD1-N 3.44Å; D119-E123 PolarHBondContact O-N 3.05Å; D119-Y336 HydrophobicContact CB-CE1 3.97Å; D119-Y336 PolarHBondContact OD2-OH 3.46Å; D119-R338 IonicContact OD2-NH1 3.96Å
120	K	94.7	Very high	97	Very high	28 Å²	28	10.2 Å²	10.2	12%	0.122	5%	0.051	C	C	.	.	H	α-helix	trans	-59.8	-35.9	-180	-68.4	172.4	178	159.8	0	112.5	E123 N124 E174 V178 D511 N569	K120-E123 PolarHBondContact O-N 3.35Å; K120-N124 PolarHBondContact O-N 3.3Å; K120-E174 HydrophobicContact CG-CB 4.33Å; K120-E174 HydrophobicContact CG-CG 4.25Å; K120-V178 HydrophobicContact CB-CG2 3.82Å; K120-V178 WeakPolarHBondContact O-CG2 3.39Å; K120-D511 HydrophobicContact CD-CB 4.49Å; K120-D511 WeakPolarHBondContact CD-OD2 3.43Å; K120-D511 WeakPolarHBondContact CE-OD1 3.48Å; K120-D511 IonicContact NZ-OD1 3.3Å; K120-D511 PolarHBondContact NZ-OD1 3.24Å; K120-D511 IonicContact NZ-OD2 3.88Å; K120-D511 PolarHBondContact NZ-OD2 2.85Å; K120-N569 PolarHBondContact NZ-OD1 3.28Å; K120-N569 VanDerWaalsContact NZ-OD1 3.09Å
121	E	95	Very high	97.1	Very high	39 Å²	39	14.5 Å²	14.5	18%	0.182	7%	0.074	C	C	.	.	H	α-helix	trans	-66.3	-45.8	176.9	-62.5	-64.3	160	0	0	110.2	H60 D119 E123 N124 I125 V178 R181	H60-E121 IonicContact CE1-OE2 2.6Å; H60-E121 PolarHBondContact CE1-OE2 3.22Å; H60-E121 IonicContact NE2-OE2 2.9Å; H60-E121 PolarHBondContact NE2-OE2 3.07Å; D119-E121 VanDerWaalsContact C-N 3.26Å; D119-E121 PolarHBondContact O-N 3.22Å; D119-E121 PolarHBondContact OD1-N 3.27Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.14Å; E121-N124 WeakPolarHBondContact O-CA 3.33Å; E121-N124 WeakPolarHBondContact O-CB 3.2Å; E121-N124 PolarHBondContact O-N 3.09Å; E121-I125 VanDerWaalsContact O-CG1 3.28Å; E121-I125 WeakPolarHBondContact O-CG1 3.5Å; E121-I125 PolarHBondContact O-N 2.76Å; E121-V178 VanDerWaalsContact OE2-CG1 3.22Å; E121-V178 WeakPolarHBondContact OE2-CG1 3.27Å; E121-R181 IonicContact OE1-CZ 3.62Å; E121-R181 IonicContact OE1-NE 2.76Å; E121-R181 IonicContact OE1-NH2 2.85Å; E121-R181 PolarHBondContact OE1-NH2 2.85Å; E121-R181 IonicContact OE2-NH2 3.72Å
122	G	96.7	Very high	97.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-37.5	174.2	0	0	0	0	0	113.5	D117 D119 I125 C126	D117-G122 WeakPolarHBondContact O-CA 3.45Å; D119-G122 PolarHBondContact O-N 2.95Å; D119-G122 PolarHBondContact OD1-N 3.44Å; G122-I125 PolarHBondContact O-N 3.27Å; G122-C126 PolarHBondContact O-N 2.9Å; G122-C126 PolarHBondContact O-SG 3.17Å
123	E	97.4	Very high	97	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-38.6	170	-69.4	-58	132.5	0	0	112.1	D119 K120 E121 C126 F127 R149 P170 N171 E174	D119-E123 PolarHBondContact O-N 3.05Å; K120-E123 PolarHBondContact O-N 3.35Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.14Å; E123-C126 VanDerWaalsContact O-CB 3.25Å; E123-C126 WeakPolarHBondContact O-CB 3.37Å; E123-C126 PolarHBondContact O-N 3.08Å; E123-F127 VanDerWaalsContact O-CD2 3.25Å; E123-F127 WeakPolarHBondContact O-CD2 3.48Å; E123-R149 IonicContact OE1-CZ 2.65Å; E123-R149 VanDerWaalsContact OE1-CZ 3.3Å; E123-R149 IonicContact OE1-NE 3.51Å; E123-R149 PolarHBondContact OE1-NE 3.29Å; E123-R149 IonicContact OE1-NH2 2.69Å; E123-R149 PolarHBondContact OE1-NH2 3.05Å; E123-P170 WeakPolarHBondContact OE2-CA 3.36Å; E123-N171 PolarHBondContact OE2-N 3.13Å; E123-E174 HydrophobicContact CB-CB 4.21Å; E123-E174 HydrophobicContact CG-CB 4.36Å; E123-E174 WeakPolarHBondContact CG-OE2 3.37Å
124	N	98.3	Very high	96.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-46.5	174	-172.4	-95.7	0	0	0	111.6	K120 E121 C126 F127 E128 A175 V178 D179	K120-N124 PolarHBondContact O-N 3.3Å; E121-N124 WeakPolarHBondContact O-CA 3.33Å; E121-N124 WeakPolarHBondContact O-CB 3.2Å; E121-N124 PolarHBondContact O-N 3.09Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 2.85Å; N124-F127 PolarHBondContact O-N 2.82Å; N124-E128 PolarHBondContact O-N 3.47Å; N124-E128 PolarHBondContact OD1-OE1 3.11Å; N124-A175 HydrophobicContact CB-CB 4.44Å; N124-A175 PolarHBondContact ND2-O 2.93Å; N124-V178 HydrophobicContact CB-CB 3.81Å; N124-V178 HydrophobicContact CB-CG1 3.75Å; N124-V178 HydrophobicContact CB-CG2 4.15Å; N124-D179 VanDerWaalsContact ND2-CG 3.34Å; N124-D179 PolarHBondContact ND2-OD1 3.24Å
125	I	98.2	Very high	96.3	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-30.9	178.3	-53.9	164.1	0	0	0	111	E9 V57 H60 V61 L116 E121 G122 F127 E128 V129	E9-I125 HydrophobicContact CG-CD1 4.16Å; V57-I125 HydrophobicContact CG2-CG2 3.99Å; H60-I125 WeakPolarHBondContact ND1-CG1 3.49Å; V61-I125 HydrophobicContact CG2-CG2 4.35Å; L116-I125 HydrophobicContact CD2-CB 3.39Å; L116-I125 HydrophobicContact CD2-CG2 3.19Å; E121-I125 VanDerWaalsContact O-CG1 3.28Å; E121-I125 WeakPolarHBondContact O-CG1 3.5Å; E121-I125 PolarHBondContact O-N 2.76Å; G122-I125 PolarHBondContact O-N 3.27Å; I125-F127 VanDerWaalsContact C-N 3.26Å; I125-F127 PolarHBondContact O-N 2.89Å; I125-E128 WeakPolarHBondContact O-CB 3.41Å; I125-E128 PolarHBondContact O-N 2.74Å; I125-E128 VanDerWaalsContact O-N 3.14Å; I125-V129 HydrophobicContact CG2-CG2 4.41Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 2.82Å
126	C	98.4	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-52.7	-46.2	171.4	-73.5	0	0	0	0	111.3	L114 G122 E123 N124 V129 L130 P170	L114-C126 HydrophobicContact CD1-CB 3.77Å; L114-C126 HydrophobicContact CD2-CB 4.48Å; G122-C126 PolarHBondContact O-N 2.9Å; G122-C126 PolarHBondContact O-SG 3.17Å; E123-C126 VanDerWaalsContact O-CB 3.25Å; E123-C126 WeakPolarHBondContact O-CB 3.37Å; E123-C126 PolarHBondContact O-N 3.08Å; N124-C126 VanDerWaalsContact C-N 3.25Å; N124-C126 PolarHBondContact O-N 2.85Å; C126-V129 PolarHBondContact O-N 3.47Å; C126-L130 VanDerWaalsContact O-CG 3.25Å; C126-L130 WeakPolarHBondContact O-CG 3.36Å; C126-L130 PolarHBondContact O-N 3.23Å; C126-P170 HydrophobicContact CB-CB 4.35Å
127	F	97.9	Very high	95.6	Very high	42 Å²	42	25.4 Å²	25.4	18%	0.184	14%	0.137	C	C	.	.	H	α-helix	trans	-74.4	-28.5	179.5	-70.6	-82.7	0	0	0	113.1	E123 N124 I125 L130 D131 P170 R172 A175	E123-F127 VanDerWaalsContact O-CD2 3.25Å; E123-F127 WeakPolarHBondContact O-CD2 3.48Å; N124-F127 PolarHBondContact O-N 2.82Å; I125-F127 VanDerWaalsContact C-N 3.26Å; I125-F127 PolarHBondContact O-N 2.89Å; F127-L130 HydrophobicContact CD1-CD1 4.08Å; F127-L130 HydrophobicContact CE1-CD1 4.24Å; F127-L130 PolarHBondContact O-N 2.87Å; F127-D131 WeakPolarHBondContact O-CB 3.41Å; F127-D131 PolarHBondContact O-N 3.06Å; F127-P170 HydrophobicContact CE1-CG 4.45Å; F127-P170 HydrophobicContact CE2-CB 3.97Å; F127-P170 HydrophobicContact CZ-CB 3.85Å; F127-P170 HydrophobicContact CZ-CG 4.02Å; F127-R172 HydrophobicContact CE1-CB 4.12Å; F127-R172 HydrophobicContact CE1-CG 4.37Å; F127-R172 HydrophobicContact CE2-CB 4.21Å; F127-R172 VanDerWaalsContact CZ-CA 3.46Å; F127-R172 HydrophobicContact CZ-CB 3.64Å; F127-R172 HydrophobicContact CZ-CG 4.3Å; F127-A175 HydrophobicContact CD2-CB 3.34Å; F127-A175 HydrophobicContact CE2-CB 3.75Å; F127-A175 HydrophobicContact CG-CB 4.27Å
128	E	97.9	Very high	95.2	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-42.5	169.7	-60.9	-179.5	167.7	0	0	111.7	H60 V61 M62 K89 N124 I125 A132	H60-E128 IonicContact ND1-OE1 3.56Å; H60-E128 PolarHBondContact ND1-OE1 2.83Å; H60-E128 IonicContact ND1-OE2 2.73Å; V61-E128 WeakPolarHBondContact CA-OE2 3.35Å; V61-E128 HydrophobicContact CB-CB 4.12Å; V61-E128 WeakPolarHBondContact CB-OE2 3.39Å; V61-E128 HydrophobicContact CG2-CB 4.43Å; V61-E128 PolarHBondContact N-OE2 3.25Å; M62-E128 HydrophobicContact CB-CG 4.3Å; M62-E128 HydrophobicContact CG-CB 4.31Å; M62-E128 HydrophobicContact CG-CG 4.11Å; M62-E128 PolarHBondContact N-OE2 2.82Å; K89-E128 IonicContact NZ-OE1 2.97Å; N124-E128 PolarHBondContact O-N 3.47Å; N124-E128 PolarHBondContact OD1-OE1 3.11Å; I125-E128 WeakPolarHBondContact O-CB 3.41Å; I125-E128 PolarHBondContact O-N 2.74Å; I125-E128 VanDerWaalsContact O-N 3.14Å; E128-A132 PolarHBondContact O-N 3.13Å
129	V	97.9	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-47.4	174.7	169.6	0	0	0	0	110.2	V7 V57 V61 L102 L114 L116 I125 C126 D131 A132 I133	V7-V129 HydrophobicContact CB-CG1 4.14Å; V7-V129 HydrophobicContact CG1-CG1 4.06Å; V7-V129 HydrophobicContact CG1-CG2 4.05Å; V7-V129 HydrophobicContact CG2-CG1 4.01Å; V57-V129 HydrophobicContact CG1-CG2 3.77Å; V61-V129 HydrophobicContact CG2-CG2 4.38Å; L102-V129 HydrophobicContact CD1-CG2 4.22Å; L114-V129 HydrophobicContact CD2-CB 4.38Å; L114-V129 HydrophobicContact CD2-CG1 4.01Å; L116-V129 HydrophobicContact CD2-CG2 4.5Å; I125-V129 HydrophobicContact CG2-CG2 4.41Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 2.82Å; C126-V129 PolarHBondContact O-N 3.47Å; V129-D131 PolarHBondContact O-N 3.2Å; V129-A132 PolarHBondContact O-N 3.28Å; V129-I133 HydrophobicContact CG1-CD1 3.94Å; V129-I133 VanDerWaalsContact O-CG1 3.31Å; V129-I133 WeakPolarHBondContact O-CG1 3.5Å; V129-I133 WeakPolarHBondContact O-CG2 3.43Å; V129-I133 PolarHBondContact O-N 3.44Å; V129-I133 VanDerWaalsContact O-N 3.07Å
130	L	96.5	Very high	92.8	Very high	5 Å²	5	39 Å²	39	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-45	179.5	-71.9	173.6	0	0	0	112.2	L114 C126 F127 A132 I133 Q134 V147 P170	L114-L130 HydrophobicContact CD1-CD1 4.09Å; L114-L130 HydrophobicContact CD1-CD2 4.39Å; L114-L130 HydrophobicContact CD1-CG 4.23Å; C126-L130 VanDerWaalsContact O-CG 3.25Å; C126-L130 WeakPolarHBondContact O-CG 3.36Å; C126-L130 PolarHBondContact O-N 3.23Å; F127-L130 HydrophobicContact CD1-CD1 4.08Å; F127-L130 HydrophobicContact CE1-CD1 4.24Å; F127-L130 PolarHBondContact O-N 2.87Å; L130-A132 VanDerWaalsContact C-N 3.27Å; L130-A132 PolarHBondContact O-N 3.44Å; L130-I133 HydrophobicContact CD2-CD1 4.44Å; L130-I133 PolarHBondContact O-N 3.04Å; L130-Q134 HydrophobicContact CB-CG 4.42Å; L130-Q134 VanDerWaalsContact O-CB 3.24Å; L130-Q134 WeakPolarHBondContact O-CB 3.44Å; L130-Q134 WeakPolarHBondContact O-CG 3.47Å; L130-Q134 PolarHBondContact O-N 3.07Å; L130-V147 HydrophobicContact CD1-CG1 4.07Å; L130-V147 HydrophobicContact CD2-CB 4.44Å; L130-V147 HydrophobicContact CD2-CG1 3.67Å; L130-V147 HydrophobicContact CD2-CG2 3.83Å; L130-P170 HydrophobicContact CD1-CG 4.14Å
131	D	95.4	Very high	91.4	Very high	116 Å²	116	39.1 Å²	39.1	62%	0.62	22%	0.218	S	C	*	.	H	α-helix	trans	-58.7	-40.1	177.5	-170.2	65.6	0	0	0	111.7	F127 V129 P135	F127-D131 WeakPolarHBondContact O-CB 3.41Å; F127-D131 PolarHBondContact O-N 3.06Å; V129-D131 PolarHBondContact O-N 3.2Å; D131-P135 WeakPolarHBondContact O-CD 3.5Å
132	A	95.4	Very high	89.7	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-38.9	177.5	0	0	0	0	0	113.5	V99 L102 Q103 E128 V129 L130	V99-A132 HydrophobicContact CG1-CB 4.1Å; L102-A132 HydrophobicContact CB-CB 4.29Å; L102-A132 HydrophobicContact CD1-CB 4.01Å; Q103-A132 WeakPolarHBondContact CG-O 3.28Å; E128-A132 PolarHBondContact O-N 3.13Å; V129-A132 PolarHBondContact O-N 3.28Å; L130-A132 VanDerWaalsContact C-N 3.27Å; L130-A132 PolarHBondContact O-N 3.44Å
133	I	94.8	Very high	88	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-99.5	-31.5	-169	70.3	-176	0	0	0	114.6	L5 L102 A106 V112 V129 L130 P135 V136 L137	L5-I133 HydrophobicContact CD2-CD1 3.95Å; L5-I133 HydrophobicContact CD2-CG2 4.4Å; L102-I133 HydrophobicContact CB-CG2 3.77Å; A106-I133 HydrophobicContact CB-CB 3.58Å; A106-I133 HydrophobicContact CB-CG2 3.6Å; V112-I133 HydrophobicContact CB-CD1 4.31Å; V112-I133 HydrophobicContact CG1-CD1 3.73Å; V112-I133 HydrophobicContact CG2-CD1 3.61Å; V129-I133 HydrophobicContact CG1-CD1 3.94Å; V129-I133 VanDerWaalsContact O-CG1 3.31Å; V129-I133 WeakPolarHBondContact O-CG1 3.5Å; V129-I133 WeakPolarHBondContact O-CG2 3.43Å; V129-I133 PolarHBondContact O-N 3.44Å; V129-I133 VanDerWaalsContact O-N 3.07Å; L130-I133 HydrophobicContact CD2-CD1 4.44Å; L130-I133 PolarHBondContact O-N 3.04Å; I133-P135 VanDerWaalsContact C-N 3.3Å; I133-V136 WeakPolarHBondContact O-CG2 3.47Å; I133-V136 PolarHBondContact O-N 3.29Å; I133-L137 PolarHBondContact O-N 2.62Å
134	Q	90.7	Very high	86.2	Confident	87 Å²	87	57.3 Å²	57.3	41%	0.407	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-52.9	-39.3	-175.3	-82.8	-178.1	0.9	0	0	113.9	L130 V136	L130-Q134 HydrophobicContact CB-CG 4.42Å; L130-Q134 VanDerWaalsContact O-CB 3.24Å; L130-Q134 WeakPolarHBondContact O-CB 3.44Å; L130-Q134 WeakPolarHBondContact O-CG 3.47Å; L130-Q134 PolarHBondContact O-N 3.07Å; Q134-V136 PolarHBondContact O-N 3.36Å
135	P	90.9	Very high	84.9	Confident	93 Å²	93	63.4 Å²	63.4	60%	0.604	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.7	-19.9	178.4	-24.5	35.8	0	0	0	114.8	D131 I133	D131-P135 WeakPolarHBondContact O-CD 3.5Å; I133-P135 VanDerWaalsContact C-N 3.3Å
136	V	92.8	Very high	84.3	Confident	34 Å²	34	63.9 Å²	63.9	21%	0.206	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-113.1	-2.7	-172.5	-59.2	0	0	0	0	114.6	Q103 A106 I133 Q134	Q103-V136 HydrophobicContact CB-CG1 4.5Å; Q103-V136 HydrophobicContact CB-CG2 4.41Å; Q103-V136 HydrophobicContact CG-CG1 4.39Å; Q103-V136 HydrophobicContact CG-CG2 4.46Å; A106-V136 HydrophobicContact CB-CG2 3.87Å; I133-V136 WeakPolarHBondContact O-CG2 3.47Å; I133-V136 PolarHBondContact O-N 3.29Å; Q134-V136 PolarHBondContact O-N 3.36Å
137	L	90.6	Very high	84.1	Confident	20 Å²	20	64.8 Å²	64.8	11%	0.105	34%	0.344	C	S	.	.	S	Bend	trans	-67.8	160	173.7	-66.4	176.3	0	0	0	111.9	A106 C109 V112 I133 K139	A106-L137 HydrophobicContact CB-CD2 4.22Å; C109-L137 HydrophobicContact CB-CD2 4.01Å; V112-L137 HydrophobicContact CG2-CD1 3.7Å; V112-L137 HydrophobicContact CG2-CD2 3.86Å; V112-L137 HydrophobicContact CG2-CG 4.43Å; I133-L137 PolarHBondContact O-N 2.62Å; L137-K139 PolarHBondContact O-N 3.36Å
138	N	87.5	Confident	84	Confident	67 Å²	67	64.5 Å²	64.5	36%	0.358	34%	0.342	S	S	.	.			trans	-64.4	127.4	174.3	-77	-18	0	0	0	110.9	G108 C109 D110 G140	G108-N138 WeakPolarHBondContact CA-OD1 3.44Å; G108-N138 PolarHBondContact O-ND2 3.08Å; C109-N138 PolarHBondContact O-N 3.42Å; D110-N138 PolarHBondContact OD1-ND2 3.26Å; N138-G140 PolarHBondContact O-N 3.32Å
139	K	76.7	Confident	84	Confident	193 Å²	193	64.2 Å²	64.2	84%	0.839	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	1.7	-177.2	-60.9	-177.6	-178.5	178.6	0	114.5	L137 I141	L137-K139 PolarHBondContact O-N 3.36Å; K139-I141 VanDerWaalsContact C-N 3.29Å; K139-I141 PolarHBondContact O-N 2.95Å
140	G	65.8	Low	84	Confident	77 Å²	77	64.2 Å²	64.2	79%	0.794	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.3	-173.7	0	0	0	0	0	115.3	N138	N138-G140 PolarHBondContact O-N 3.32Å
141	I	64.8	Low	84	Confident	31 Å²	31	70 Å²	70	16%	0.159	37%	0.366	C	S	.	.	S	Bend	trans	-119.9	141.4	179.2	-60.8	174.8	0	0	0	108.3	D110 Y111 K139 R143 Q145	D110-I141 HydrophobicContact CB-CD1 3.94Å; Y111-I141 HydrophobicContact CD1-CD1 4.36Å; Y111-I141 HydrophobicContact CE1-CD1 3.77Å; Y111-I141 HydrophobicContact CE2-CD1 4.14Å; K139-I141 VanDerWaalsContact C-N 3.29Å; K139-I141 PolarHBondContact O-N 2.95Å; I141-R143 PolarHBondContact O-N 3.47Å; I141-Q145 HydrophobicContact CG2-CB 4.31Å
142	V	60	Low	84.1	Confident	97 Å²	97	64.6 Å²	64.6	59%	0.588	34%	0.337	S	S	*	.			trans	-58.4	128.5	174.3	-179.4	0	0	0	0	108.9	D144 Q145	V142-D144 VanDerWaalsContact C-N 3.26Å; V142-D144 PolarHBondContact O-N 2.88Å; V142-D144 VanDerWaalsContact O-N 3.12Å; V142-Q145 PolarHBondContact O-N 3.49Å
143	R	59.6	Low	84.1	Confident	186 Å²	186	65.6 Å²	65.6	70%	0.702	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-52.6	-37.5	-169.7	-73.5	-178.6	177	176	-2.5	114.5	I141 Q145 S146	I141-R143 PolarHBondContact O-N 3.47Å; R143-Q145 PolarHBondContact O-N 2.83Å; R143-S146 PolarHBondContact O-N 3.41Å; R143-S146 PolarHBondContact O-OG 2.88Å; R143-S146 VanDerWaalsContact O-OG 3.04Å
144	D	60	Low	84.1	Confident	144 Å²	144	65.8 Å²	65.8	77%	0.77	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-75.9	-13.2	-178	-60.9	-21.2	0	0	0	112.9	V142	V142-D144 VanDerWaalsContact C-N 3.26Å; V142-D144 PolarHBondContact O-N 2.88Å; V142-D144 VanDerWaalsContact O-N 3.12Å
145	Q	70.9	Confident	84.2	Confident	129 Å²	129	62.2 Å²	62.2	60%	0.603	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-98.6	3.3	178.1	-64.8	-176.6	-16.1	0	0	113.3	I141 V142 R143	I141-Q145 HydrophobicContact CG2-CB 4.31Å; V142-Q145 PolarHBondContact O-N 3.49Å; R143-Q145 PolarHBondContact O-N 2.83Å
146	S	84.9	Confident	84.3	Confident	11 Å²	11	59 Å²	59	8%	0.077	31%	0.307	C	S	.	.	S	Bend	trans	-109.5	-8.2	-174.9	66.7	0	0	0	0	115.5	D110 Y111 V112 R143	D110-S146 WeakPolarHBondContact O-CB 3.25Å; Y111-S146 CarbonylContact C-O 3.4Å; Y111-S146 WeakPolarHBondContact CA-O 3.47Å; V112-S146 PolarHBondContact N-O 2.99Å; R143-S146 PolarHBondContact O-N 3.41Å; R143-S146 PolarHBondContact O-OG 2.88Å; R143-S146 VanDerWaalsContact O-OG 3.04Å
147	V	94.3	Very high	84.3	Confident	20 Å²	20	62.3 Å²	62.3	12%	0.121	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130	-176.1	179.4	0	0	0	0	110.9	L114 L130 P170	L114-V147 HydrophobicContact CD1-CG1 4.15Å; L130-V147 HydrophobicContact CD1-CG1 4.07Å; L130-V147 HydrophobicContact CD2-CB 4.44Å; L130-V147 HydrophobicContact CD2-CG1 3.67Å; L130-V147 HydrophobicContact CD2-CG2 3.83Å; V147-P170 HydrophobicContact CG1-CG 4.2Å
148	F	96.7	Very high	84.3	Confident	35 Å²	35	66.2 Å²	66.2	15%	0.154	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.1	-179.5	-61.4	-84.7	0	0	0	110.9	F45 Y111 V112 V113 L114 L167	F45-F148 HydrophobicContact CE1-CD2 4.24Å; F45-F148 AromaticContact CE1-CE2 3.91Å; F45-F148 HydrophobicContact CE1-CE2 3.91Å; F45-F148 HydrophobicContact CE1-CZ 4.45Å; F45-F148 AromaticContact CZ-CD2 3.76Å; F45-F148 HydrophobicContact CZ-CD2 3.76Å; F45-F148 AromaticContact CZ-CE2 3.84Å; F45-F148 HydrophobicContact CZ-CE2 3.84Å; F45-F148 HydrophobicContact CZ-CG 4.21Å; F45-F148 HydrophobicContact CZ-CZ 4.35Å; Y111-F148 AromaticContact CD1-CE2 3.96Å; Y111-F148 HydrophobicContact CD1-CE2 3.96Å; V112-F148 PolarHBondContact O-N 2.98Å; V113-F148 CarbonylContact C-O 3.55Å; V113-F148 WeakPolarHBondContact CA-O 3.25Å; V113-F148 HydrophobicContact CB-CB 4.45Å; V113-F148 HydrophobicContact CG1-CB 4.23Å; V113-F148 HydrophobicContact CG2-CB 4.16Å; L114-F148 PolarHBondContact N-O 3.02Å; F148-L167 HydrophobicContact CB-CB 4.11Å; F148-L167 HydrophobicContact CB-CD1 3.9Å; F148-L167 HydrophobicContact CB-CG 4.41Å; F148-L167 HydrophobicContact CD1-CB 4.01Å; F148-L167 HydrophobicContact CD1-CD1 4.22Å; F148-L167 HydrophobicContact CG-CB 4.43Å; F148-L167 HydrophobicContact CG-CD1 4.08Å
149	R	97.8	Very high	84.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.6	175.9	175.7	56.2	173.2	143.6	-14.5	110.3	L114 L116 D117 E123 G168 E169 P170	L114-R149 PolarHBondContact O-NH1 3.25Å; L116-R149 PolarHBondContact O-NH1 3.17Å; L116-R149 PolarHBondContact O-NH2 2.62Å; L116-R149 VanDerWaalsContact O-NH2 3.17Å; D117-R149 PolarHBondContact O-NH2 2.98Å; E123-R149 IonicContact OE1-CZ 2.65Å; E123-R149 VanDerWaalsContact OE1-CZ 3.3Å; E123-R149 IonicContact OE1-NE 3.51Å; E123-R149 PolarHBondContact OE1-NE 3.29Å; E123-R149 IonicContact OE1-NH2 2.69Å; E123-R149 PolarHBondContact OE1-NH2 3.05Å; R149-G168 PolarHBondContact N-O 3.47Å; R149-G168 PolarHBondContact O-N 3.25Å; R149-E169 VanDerWaalsContact CB-C 3.49Å; R149-P170 HydrophobicContact CB-CB 4.41Å
150	A	98.2	Very high	85.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.			trans	-82.8	131.3	171	0	0	0	0	0	109.7	V113 L114 W115 A163 L167	V113-A150 HydrophobicContact CG1-CB 4.24Å; L114-A150 PolarHBondContact O-N 3.2Å; W115-A150 HydrophobicContact CD2-CB 3.55Å; W115-A150 HydrophobicContact CE3-CB 3.52Å; W115-A150 HydrophobicContact CG-CB 4.24Å; W115-A150 HydrophobicContact CH2-CB 3.79Å; W115-A150 HydrophobicContact CZ2-CB 3.82Å; W115-A150 HydrophobicContact CZ3-CB 3.64Å; A150-A163 HydrophobicContact CB-CB 4.26Å; A150-L167 HydrophobicContact CB-CD2 3.74Å
151	K	97.2	Very high	87.1	Confident	126 Å²	126	56.3 Å²	56.3	55%	0.548	28%	0.28	S	S	.	.			trans	-111.7	124.6	175.2	-67.8	-168.1	174.9	-167.2	0	110.5	A163	K151-A163 WeakPolarHBondContact O-CB 3.42Å
152	F	96.1	Very high	88.5	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.018	29%	0.292	C	S	.	.			trans	-150.5	159.9	-176.3	59.1	-78.9	0	0	0	109.8	I17 W115 L116 C118 I155 I160 A163 Y329	I17-F152 HydrophobicContact CD1-CZ 4.43Å; W115-F152 AromaticContact CE3-CD1 3.96Å; W115-F152 HydrophobicContact CE3-CD1 3.96Å; W115-F152 AromaticContact CE3-CE1 3.89Å; W115-F152 HydrophobicContact CE3-CE1 3.89Å; W115-F152 HydrophobicContact CZ3-CD1 4.21Å; L116-F152 WeakPolarHBondContact O-CE1 3.39Å; L116-F152 WeakPolarHBondContact O-CZ 3.32Å; C118-F152 PolarHBondContact SG-N 3.32Å; C118-F152 VanDerWaalsContact SG-N 3.39Å; C118-F152 PolarHBondContact SG-O 2.95Å; C118-F152 VanDerWaalsContact SG-O 3.42Å; F152-I155 HydrophobicContact CD2-CD1 3.89Å; F152-I155 HydrophobicContact CE2-CD1 3.54Å; F152-I160 HydrophobicContact CB-CD1 4.26Å; F152-I160 HydrophobicContact CD2-CD1 4Å; F152-I160 HydrophobicContact CG-CD1 4.08Å; F152-A163 HydrophobicContact CB-CB 4.15Å; F152-Y329 WeakPolarHBondContact CE2-OH 3.33Å
153	S	95.5	Very high	90.3	Very high	23 Å²	23	54.1 Å²	54.1	16%	0.161	27%	0.265	C	S	.	.	S	Bend	trans	-128.2	-2.2	-179.9	-63.8	0	0	0	0	113.2	D159 S335 Y336 H387 P388	S153-D159 PolarHBondContact N-OD2 3.24Å; S153-S335 CarbonylContact O-C 3.54Å; S153-S335 WeakPolarHBondContact O-CA 3.17Å; S153-Y336 PolarHBondContact O-N 3.35Å; S153-H387 PolarHBondContact OG-ND1 3.39Å; S153-P388 WeakPolarHBondContact OG-CD 3.34Å
154	S	94.4	Very high	92.1	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.028	24%	0.237	C	C	.	.	S	Bend	trans	-154.8	153.2	178.5	66.5	0	0	0	0	110.9	T156 D159	S154-T156 VanDerWaalsContact C-N 3.29Å; S154-T156 PolarHBondContact O-N 2.94Å; S154-T156 PolarHBondContact OG-OG1 3.42Å; S154-D159 PolarHBondContact N-OD2 2.9Å; S154-D159 VanDerWaalsContact OG-CB 3.29Å; S154-D159 WeakPolarHBondContact OG-CB 3.3Å; S154-D159 PolarHBondContact OG-OD2 3.14Å
155	I	94.3	Very high	93.8	Very high	13 Å²	13	45 Å²	45	7%	0.067	23%	0.231	C	C	.	.	S	Bend	trans	-92.9	66	176	-45.3	-56.4	0	0	0	109.1	L13 I20 F152 I160 Y329	L13-I155 HydrophobicContact CD2-CD1 3.6Å; L13-I155 HydrophobicContact CD2-CG1 3.76Å; I20-I155 HydrophobicContact CD1-CG2 4.22Å; F152-I155 HydrophobicContact CD2-CD1 3.89Å; F152-I155 HydrophobicContact CE2-CD1 3.54Å; I155-I160 HydrophobicContact CD1-CD1 4.42Å; I155-Y329 HydrophobicContact CD1-CE2 4.04Å; I155-Y329 HydrophobicContact CG1-CD2 4.48Å; I155-Y329 HydrophobicContact CG1-CE2 4.02Å
156	T	92.8	Very high	94.9	Very high	25 Å²	25	48.7 Å²	48.7	15%	0.153	24%	0.239	C	C	.	.	S	Bend	trans	-120.7	154.7	178.3	64.3	0	0	0	0	111	S154 T158 D159 I160 M393	S154-T156 VanDerWaalsContact C-N 3.29Å; S154-T156 PolarHBondContact O-N 2.94Å; S154-T156 PolarHBondContact OG-OG1 3.42Å; T156-T158 VanDerWaalsContact C-N 3.28Å; T156-T158 PolarHBondContact O-N 3.31Å; T156-D159 PolarHBondContact O-N 3.07Å; T156-D159 WeakPolarHBondContact OG1-CB 3.41Å; T156-D159 PolarHBondContact OG1-N 3.33Å; T156-I160 WeakPolarHBondContact O-CB 3.06Å; T156-I160 VanDerWaalsContact O-CG1 3.27Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 2.94Å; T156-M393 HydrophobicContact CG2-CB 3.85Å; T156-M393 HydrophobicContact CG2-CE 3.96Å
157	D	92.1	Very high	95.5	Very high	104 Å²	104	50.1 Å²	50.1	56%	0.556	25%	0.245	S	C	*	.	H	α-helix	trans	-52.4	-47.3	177.5	-67	-97	0	0	0	112.2	I20 W161	I20-D157 HydrophobicContact CG2-CB 4.4Å; D157-W161 WeakPolarHBondContact O-CB 3.4Å; D157-W161 VanDerWaalsContact O-CD1 3.23Å; D157-W161 PolarHBondContact O-N 3.21Å
158	T	91.9	Very high	95.6	Very high	101 Å²	101	50.6 Å²	50.6	62%	0.62	25%	0.254	S	S	*	.	H	α-helix	trans	-59.7	-51.2	-179.1	-52.5	0	0	0	0	112.2	T156 N162	T156-T158 VanDerWaalsContact C-N 3.28Å; T156-T158 PolarHBondContact O-N 3.31Å; T158-N162 WeakPolarHBondContact O-CB 3.16Å; T158-N162 PolarHBondContact O-N 3.22Å; T158-N162 PolarHBondContact O-ND2 3.25Å
159	D	94	Very high	95.5	Very high	38 Å²	38	56.2 Å²	56.2	20%	0.203	28%	0.281	C	S	.	.	H	α-helix	trans	-72.4	-39.9	-172.8	-159.9	23.7	0	0	0	111.7	S153 S154 T156 N162 A163	S153-D159 PolarHBondContact N-OD2 3.24Å; S154-D159 PolarHBondContact N-OD2 2.9Å; S154-D159 VanDerWaalsContact OG-CB 3.29Å; S154-D159 WeakPolarHBondContact OG-CB 3.3Å; S154-D159 PolarHBondContact OG-OD2 3.14Å; T156-D159 PolarHBondContact O-N 3.07Å; T156-D159 WeakPolarHBondContact OG1-CB 3.41Å; T156-D159 PolarHBondContact OG1-N 3.33Å; D159-N162 PolarHBondContact O-N 3.26Å; D159-A163 WeakPolarHBondContact O-CB 3.42Å; D159-A163 PolarHBondContact O-N 3.49Å
160	I	97.1	Very high	95.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-41.4	177.5	-64.3	-58.4	0	0	0	111.8	I17 I20 L21 W115 F152 I155 T156 A163 M164	I17-I160 HydrophobicContact CD1-CD1 4.42Å; I17-I160 HydrophobicContact CG1-CD1 4Å; I17-I160 HydrophobicContact CG2-CG2 3.97Å; I20-I160 HydrophobicContact CB-CG2 4.39Å; I20-I160 HydrophobicContact CD1-CB 4.46Å; I20-I160 HydrophobicContact CD1-CG1 4.05Å; I20-I160 HydrophobicContact CG2-CB 4.08Å; I20-I160 HydrophobicContact CG2-CG2 3.89Å; L21-I160 HydrophobicContact CD1-CG2 4.36Å; L21-I160 HydrophobicContact CD2-CG2 3.75Å; L21-I160 HydrophobicContact CG-CG2 3.83Å; W115-I160 HydrophobicContact CE3-CD1 4.39Å; W115-I160 HydrophobicContact CH2-CG2 3.98Å; W115-I160 HydrophobicContact CZ3-CD1 3.85Å; W115-I160 HydrophobicContact CZ3-CG2 3.99Å; F152-I160 HydrophobicContact CB-CD1 4.26Å; F152-I160 HydrophobicContact CD2-CD1 4Å; F152-I160 HydrophobicContact CG-CD1 4.08Å; I155-I160 HydrophobicContact CD1-CD1 4.42Å; T156-I160 WeakPolarHBondContact O-CB 3.06Å; T156-I160 VanDerWaalsContact O-CG1 3.27Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 2.94Å; I160-A163 PolarHBondContact O-N 2.66Å; I160-M164 PolarHBondContact O-N 2.91Å
161	W	96.1	Very high	95.4	Very high	91 Å²	91	59.5 Å²	59.5	35%	0.345	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-39.9	174.2	-86.3	105.2	0	0	0	112.1	L21 D157 A163 M164 N165	L21-W161 HydrophobicContact CD2-CD2 4.28Å; L21-W161 HydrophobicContact CD2-CE3 4.44Å; D157-W161 WeakPolarHBondContact O-CB 3.4Å; D157-W161 VanDerWaalsContact O-CD1 3.23Å; D157-W161 PolarHBondContact O-N 3.21Å; W161-A163 VanDerWaalsContact C-N 3.34Å; W161-A163 PolarHBondContact O-N 3.12Å; W161-M164 PolarHBondContact O-N 2.83Å; W161-N165 WeakPolarHBondContact O-CB 3.3Å; W161-N165 VanDerWaalsContact O-CG 3.27Å; W161-N165 PolarHBondContact O-N 2.64Å; W161-N165 PolarHBondContact O-ND2 3.34Å; W161-N165 VanDerWaalsContact O-ND2 3.1Å
162	N	95.3	Very high	95.4	Very high	78 Å²	78	60.1 Å²	60.1	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-43.1	174.8	-75	-21.4	0	0	0	111.8	T158 D159 N165 R166	T158-N162 WeakPolarHBondContact O-CB 3.16Å; T158-N162 PolarHBondContact O-N 3.22Å; T158-N162 PolarHBondContact O-ND2 3.25Å; D159-N162 PolarHBondContact O-N 3.26Å; N162-N165 PolarHBondContact O-N 3.03Å; N162-R166 PolarHBondContact O-N 2.68Å; N162-R166 VanDerWaalsContact O-N 3.1Å
163	A	97.1	Very high	95.5	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-45.1	176.2	0	0	0	0	0	111.8	W115 A150 K151 F152 D159 I160 W161 N165 R166 L167	W115-A163 HydrophobicContact CH2-CB 3.97Å; W115-A163 HydrophobicContact CZ3-CB 3.88Å; A150-A163 HydrophobicContact CB-CB 4.26Å; K151-A163 WeakPolarHBondContact O-CB 3.42Å; F152-A163 HydrophobicContact CB-CB 4.15Å; D159-A163 WeakPolarHBondContact O-CB 3.42Å; D159-A163 PolarHBondContact O-N 3.49Å; I160-A163 PolarHBondContact O-N 2.66Å; W161-A163 VanDerWaalsContact C-N 3.34Å; W161-A163 PolarHBondContact O-N 3.12Å; A163-N165 VanDerWaalsContact C-N 3.29Å; A163-N165 PolarHBondContact O-N 3.28Å; A163-R166 CarbonylContact O-C 3.5Å; A163-R166 PolarHBondContact O-N 3.45Å; A163-L167 WeakPolarHBondContact O-CD2 3.48Å; A163-L167 PolarHBondContact O-N 3.41Å
164	M	97	Very high	95.6	Very high	23 Å²	23	64.4 Å²	64.4	11%	0.113	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-33.4	177.8	-172.4	61	-178.8	0	0	112.8	L21 F45 F52 W115 I160 W161 L167	L21-M164 HydrophobicContact CD2-CB 4.06Å; L21-M164 HydrophobicContact CD2-CG 4.21Å; F45-M164 HydrophobicContact CD2-CE 3.56Å; F45-M164 HydrophobicContact CE2-CE 3.88Å; F52-M164 HydrophobicContact CE1-CE 3.56Å; F52-M164 HydrophobicContact CE2-CE 4.5Å; F52-M164 HydrophobicContact CZ-CE 3.42Å; F52-M164 VanDerWaalsContact CZ-CE 3.42Å; W115-M164 HydrophobicContact CH2-CB 4.12Å; W115-M164 HydrophobicContact CZ2-CB 4.2Å; W115-M164 HydrophobicContact CZ2-SD 3.86Å; I160-M164 PolarHBondContact O-N 2.91Å; W161-M164 PolarHBondContact O-N 2.83Å; M164-L167 HydrophobicContact SD-CD1 4.39Å
165	N	95.7	Very high	95.7	Very high	117 Å²	117	64.3 Å²	64.3	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-81.9	-14.3	179	-69.3	-31.7	0	0	0	113.5	W161 N162 A163	W161-N165 WeakPolarHBondContact O-CB 3.3Å; W161-N165 VanDerWaalsContact O-CG 3.27Å; W161-N165 PolarHBondContact O-N 2.64Å; W161-N165 PolarHBondContact O-ND2 3.34Å; W161-N165 VanDerWaalsContact O-ND2 3.1Å; N162-N165 PolarHBondContact O-N 3.03Å; A163-N165 VanDerWaalsContact C-N 3.29Å; A163-N165 PolarHBondContact O-N 3.28Å
166	R	95.4	Very high	95.9	Very high	205 Å²	205	65.3 Å²	65.3	77%	0.774	32%	0.323	S	S	*	.	S	Bend	trans	-132.1	53.2	-175.7	-62.3	-176.8	-178.7	-179.3	0.8	111.4	N162 A163	N162-R166 PolarHBondContact O-N 2.68Å; N162-R166 VanDerWaalsContact O-N 3.1Å; A163-R166 CarbonylContact O-C 3.5Å; A163-R166 PolarHBondContact O-N 3.45Å
167	L	96.6	Very high	96.1	Very high	42 Å²	42	64.4 Å²	64.4	22%	0.22	32%	0.318	C	S	.	.			trans	-65.6	135.2	177.8	-64.6	175.2	0	0	0	111	F45 V113 F148 A150 A163 M164	F45-L167 HydrophobicContact CE2-CD1 3.58Å; F45-L167 HydrophobicContact CZ-CD1 3.96Å; V113-L167 HydrophobicContact CG1-CD1 4.13Å; V113-L167 HydrophobicContact CG1-CD2 3.6Å; V113-L167 HydrophobicContact CG2-CD1 4.21Å; F148-L167 HydrophobicContact CB-CB 4.11Å; F148-L167 HydrophobicContact CB-CD1 3.9Å; F148-L167 HydrophobicContact CB-CG 4.41Å; F148-L167 HydrophobicContact CD1-CB 4.01Å; F148-L167 HydrophobicContact CD1-CD1 4.22Å; F148-L167 HydrophobicContact CG-CB 4.43Å; F148-L167 HydrophobicContact CG-CD1 4.08Å; A150-L167 HydrophobicContact CB-CD2 3.74Å; A163-L167 WeakPolarHBondContact O-CD2 3.48Å; A163-L167 PolarHBondContact O-N 3.41Å; M164-L167 HydrophobicContact SD-CD1 4.39Å
168	G	95.8	Very high	96.4	Very high	30 Å²	30	59.7 Å²	59.7	31%	0.309	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-112	-154.2	172.5	0	0	0	0	0	111.9	R149	R149-G168 PolarHBondContact N-O 3.47Å; R149-G168 PolarHBondContact O-N 3.25Å
169	E	95.9	Very high	96.6	Very high	152 Å²	152	56.1 Å²	56.1	71%	0.71	27%	0.27	S	S	*	.			trans	-115.6	149.8	177.2	-66.3	177.2	-174.2	0	0	110.5	R149	R149-E169 VanDerWaalsContact CB-C 3.49Å
170	P	96.7	Very high	96.8	Very high	25 Å²	25	54.3 Å²	54.3	16%	0.162	26%	0.26	C	S	.	.			trans	-68	142	175.7	29.1	-34.6	0	0	0	111.4	L114 E123 C126 F127 L130 V147 R149 R172	L114-P170 HydrophobicContact CD1-CB 4.01Å; L114-P170 HydrophobicContact CD1-CG 4.09Å; E123-P170 WeakPolarHBondContact OE2-CA 3.36Å; C126-P170 HydrophobicContact CB-CB 4.35Å; F127-P170 HydrophobicContact CE1-CG 4.45Å; F127-P170 HydrophobicContact CE2-CB 3.97Å; F127-P170 HydrophobicContact CZ-CB 3.85Å; F127-P170 HydrophobicContact CZ-CG 4.02Å; L130-P170 HydrophobicContact CD1-CG 4.14Å; V147-P170 HydrophobicContact CG1-CG 4.2Å; R149-P170 HydrophobicContact CB-CB 4.41Å; P170-R172 PolarHBondContact O-N 2.69Å
171	N	97.1	Very high	96.8	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	27%	0.269	C	S	.	.			trans	-91.2	102.1	-174.6	-172.5	-11.5	0	0	0	112	E123 N173 E174 A175	E123-N171 PolarHBondContact OE2-N 3.13Å; N171-N173 VanDerWaalsContact C-N 3.28Å; N171-N173 PolarHBondContact O-N 3.04Å; N171-N173 WeakPolarHBondContact OD1-CB 3.38Å; N171-N173 PolarHBondContact OD1-N 3.35Å; N171-E174 HydrophobicContact CB-CB 4.21Å; N171-E174 HydrophobicContact CB-CG 4.36Å; N171-E174 VanDerWaalsContact ND2-CD 3.28Å; N171-E174 WeakPolarHBondContact ND2-CG 3.38Å; N171-E174 PolarHBondContact ND2-OE1 3.36Å; N171-E174 PolarHBondContact O-N 2.9Å; N171-E174 PolarHBondContact OD1-N 3.44Å; N171-A175 PolarHBondContact O-N 3.16Å
172	R	97	Very high	96.8	Very high	139 Å²	139	52.3 Å²	52.3	53%	0.525	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-30.6	-179.9	-172.9	55.6	176.5	-99.1	6	113.6	F127 P170 A175 L176	F127-R172 HydrophobicContact CE1-CB 4.12Å; F127-R172 HydrophobicContact CE1-CG 4.37Å; F127-R172 HydrophobicContact CE2-CB 4.21Å; F127-R172 VanDerWaalsContact CZ-CA 3.46Å; F127-R172 HydrophobicContact CZ-CB 3.64Å; F127-R172 HydrophobicContact CZ-CG 4.3Å; P170-R172 PolarHBondContact O-N 2.69Å; R172-A175 PolarHBondContact O-N 3.44Å; R172-L176 HydrophobicContact CG-CD1 4.2Å; R172-L176 HydrophobicContact CG-CG 4.35Å; R172-L176 WeakPolarHBondContact O-CB 3.26Å; R172-L176 VanDerWaalsContact O-CG 3.28Å; R172-L176 WeakPolarHBondContact O-CG 3.39Å; R172-L176 PolarHBondContact O-N 3.25Å
173	N	98.1	Very high	96.9	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-69.7	-42.4	-178.7	-73.9	-26.4	0	0	0	111.5	N171 L176 S177 I571 A572	N171-N173 VanDerWaalsContact C-N 3.28Å; N171-N173 PolarHBondContact O-N 3.04Å; N171-N173 WeakPolarHBondContact OD1-CB 3.38Å; N171-N173 PolarHBondContact OD1-N 3.35Å; N173-L176 PolarHBondContact O-N 3.27Å; N173-S177 PolarHBondContact O-N 3.26Å; N173-S177 VanDerWaalsContact O-N 3.08Å; N173-I571 WeakPolarHBondContact CB-O 3.27Å; N173-A572 WeakPolarHBondContact CB-O 3.26Å
174	E	96.9	Very high	96.9	Very high	49 Å²	49	49.5 Å²	49.5	23%	0.229	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-46.9	172.7	-78.7	172.4	-141.4	0	0	111.2	K120 E123 N171 L176 S177 V178 A572	K120-E174 HydrophobicContact CG-CB 4.33Å; K120-E174 HydrophobicContact CG-CG 4.25Å; E123-E174 HydrophobicContact CB-CB 4.21Å; E123-E174 HydrophobicContact CG-CB 4.36Å; E123-E174 WeakPolarHBondContact CG-OE2 3.37Å; N171-E174 HydrophobicContact CB-CB 4.21Å; N171-E174 HydrophobicContact CB-CG 4.36Å; N171-E174 VanDerWaalsContact ND2-CD 3.28Å; N171-E174 WeakPolarHBondContact ND2-CG 3.38Å; N171-E174 PolarHBondContact ND2-OE1 3.36Å; N171-E174 PolarHBondContact O-N 2.9Å; N171-E174 PolarHBondContact OD1-N 3.44Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 2.92Å; E174-S177 WeakPolarHBondContact O-CB 3.46Å; E174-S177 PolarHBondContact O-N 3.47Å; E174-S177 PolarHBondContact O-OG 2.9Å; E174-V178 PolarHBondContact O-N 3.44Å; E174-A572 HydrophobicContact CG-CB 3.92Å
175	A	97.7	Very high	96.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-42.6	176.1	0	0	0	0	0	113.1	N124 F127 N171 R172 S177 V178 D179	N124-A175 HydrophobicContact CB-CB 4.44Å; N124-A175 PolarHBondContact ND2-O 2.93Å; F127-A175 HydrophobicContact CD2-CB 3.34Å; F127-A175 HydrophobicContact CE2-CB 3.75Å; F127-A175 HydrophobicContact CG-CB 4.27Å; N171-A175 PolarHBondContact O-N 3.16Å; R172-A175 PolarHBondContact O-N 3.44Å; A175-S177 VanDerWaalsContact C-N 3.29Å; A175-S177 PolarHBondContact O-N 2.86Å; A175-V178 PolarHBondContact O-N 2.78Å; A175-D179 PolarHBondContact O-N 2.89Å
176	L	98.3	Very high	96.8	Very high	35 Å²	35	43.7 Å²	43.7	18%	0.183	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-30.4	176.4	-75	173.7	0	0	0	112.8	R172 N173 E174 V178 D179 A180 I571 Y578	R172-L176 HydrophobicContact CG-CD1 4.2Å; R172-L176 HydrophobicContact CG-CG 4.35Å; R172-L176 WeakPolarHBondContact O-CB 3.26Å; R172-L176 VanDerWaalsContact O-CG 3.28Å; R172-L176 WeakPolarHBondContact O-CG 3.39Å; R172-L176 PolarHBondContact O-N 3.25Å; N173-L176 PolarHBondContact O-N 3.27Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 2.92Å; L176-V178 VanDerWaalsContact C-N 3.32Å; L176-D179 PolarHBondContact O-N 3.46Å; L176-A180 WeakPolarHBondContact O-CB 3.35Å; L176-A180 PolarHBondContact O-N 2.98Å; L176-I571 HydrophobicContact CB-CG2 4.13Å; L176-Y578 HydrophobicContact CB-CD2 4.03Å; L176-Y578 HydrophobicContact CB-CG 4.37Å; L176-Y578 HydrophobicContact CD2-CD1 4.4Å; L176-Y578 HydrophobicContact CD2-CD2 4.22Å; L176-Y578 HydrophobicContact CD2-CE2 4.46Å; L176-Y578 HydrophobicContact CD2-CG 4.2Å; L176-Y578 VanDerWaalsContact O-CD2 3.29Å; L176-Y578 WeakPolarHBondContact O-CD2 3.22Å; L176-Y578 WeakPolarHBondContact O-CE2 3.31Å
177	S	97.4	Very high	96.9	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-36.7	174.7	77.9	0	0	0	0	112	N173 E174 A175 A180 R181 L568	N173-S177 PolarHBondContact O-N 3.26Å; N173-S177 VanDerWaalsContact O-N 3.08Å; E174-S177 WeakPolarHBondContact O-CB 3.46Å; E174-S177 PolarHBondContact O-N 3.47Å; E174-S177 PolarHBondContact O-OG 2.9Å; A175-S177 VanDerWaalsContact C-N 3.29Å; A175-S177 PolarHBondContact O-N 2.86Å; S177-A180 PolarHBondContact O-N 3.41Å; S177-R181 PolarHBondContact O-N 3.24Å; S177-L568 VanDerWaalsContact CB-O 3.3Å; S177-L568 WeakPolarHBondContact CB-O 3.3Å
178	V	96.9	Very high	97	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.024	16%	0.162	C	C	.	.	H	α-helix	trans	-69.3	-45.3	174.1	175.3	0	0	0	0	111.1	K120 E121 N124 E174 A175 L176 A180 R181 Q182	K120-V178 HydrophobicContact CB-CG2 3.82Å; K120-V178 WeakPolarHBondContact O-CG2 3.39Å; E121-V178 VanDerWaalsContact OE2-CG1 3.22Å; E121-V178 WeakPolarHBondContact OE2-CG1 3.27Å; N124-V178 HydrophobicContact CB-CB 3.81Å; N124-V178 HydrophobicContact CB-CG1 3.75Å; N124-V178 HydrophobicContact CB-CG2 4.15Å; E174-V178 PolarHBondContact O-N 3.44Å; A175-V178 PolarHBondContact O-N 2.78Å; L176-V178 VanDerWaalsContact C-N 3.32Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3.13Å; V178-R181 WeakPolarHBondContact O-CB 3.26Å; V178-R181 PolarHBondContact O-N 3.07Å; V178-R181 VanDerWaalsContact O-N 3.12Å; V178-Q182 HydrophobicContact CG1-CG 4.31Å; V178-Q182 WeakPolarHBondContact O-CG 3.17Å; V178-Q182 PolarHBondContact O-N 3.5Å
179	D	97.3	Very high	97	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.144	15%	0.147	C	C	.	.	H	α-helix	trans	-56.9	-42.6	175.4	-73.8	-24.2	0	0	0	111	K89 N124 A175 L176 Q182 E183 Y578	K89-D179 VanDerWaalsContact CE-OD1 3.3Å; K89-D179 WeakPolarHBondContact CE-OD1 3.37Å; K89-D179 IonicContact NZ-OD1 3.94Å; K89-D179 PolarHBondContact NZ-OD1 2.83Å; K89-D179 IonicContact NZ-OD2 2.72Å; N124-D179 VanDerWaalsContact ND2-CG 3.34Å; N124-D179 PolarHBondContact ND2-OD1 3.24Å; A175-D179 PolarHBondContact O-N 2.89Å; L176-D179 PolarHBondContact O-N 3.46Å; D179-Q182 PolarHBondContact O-N 3.11Å; D179-E183 WeakPolarHBondContact O-CB 3.44Å; D179-E183 PolarHBondContact O-N 3.29Å; D179-Y578 HydrophobicContact CB-CE2 4.19Å
180	A	97.4	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-44.6	176.7	0	0	0	0	0	111.4	L176 S177 V178 E183 L184 L568 I571 Y578	L176-A180 WeakPolarHBondContact O-CB 3.35Å; L176-A180 PolarHBondContact O-N 2.98Å; S177-A180 PolarHBondContact O-N 3.41Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3.13Å; A180-E183 PolarHBondContact O-N 2.9Å; A180-L184 WeakPolarHBondContact O-CB 3.43Å; A180-L184 WeakPolarHBondContact O-CG 3.29Å; A180-L184 PolarHBondContact O-N 3.39Å; A180-L568 HydrophobicContact CB-CD2 3.54Å; A180-I571 HydrophobicContact CB-CD1 4.11Å; A180-Y578 HydrophobicContact CB-CD2 3.8Å; A180-Y578 HydrophobicContact CB-CE2 3.62Å
181	R	97.2	Very high	97	Very high	45 Å²	45	23 Å²	23	17%	0.17	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-51.9	176.8	-172.3	-171.2	60.9	63.6	-2.4	111.1	E121 S177 V178 E183 L184 D185 L568	E121-R181 IonicContact OE1-CZ 3.62Å; E121-R181 IonicContact OE1-NE 2.76Å; E121-R181 IonicContact OE1-NH2 2.85Å; E121-R181 PolarHBondContact OE1-NH2 2.85Å; E121-R181 IonicContact OE2-NH2 3.72Å; S177-R181 PolarHBondContact O-N 3.24Å; V178-R181 WeakPolarHBondContact O-CB 3.26Å; V178-R181 PolarHBondContact O-N 3.07Å; V178-R181 VanDerWaalsContact O-N 3.12Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 2.94Å; R181-L184 PolarHBondContact O-N 3.38Å; R181-D185 IonicContact NH1-OD2 3.79Å; R181-D185 WeakPolarHBondContact O-CB 3.36Å; R181-D185 VanDerWaalsContact O-CG 3.26Å; R181-D185 PolarHBondContact O-N 3.32Å; R181-L568 HydrophobicContact CB-CD1 3.88Å; R181-L568 HydrophobicContact CG-CD1 4.08Å
182	Q	95.6	Very high	97	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-44.6	179.3	-71.2	178.6	-1.2	0	0	111.4	L64 V178 D179 L186 V858	L64-Q182 HydrophobicContact CD2-CB 4.45Å; V178-Q182 HydrophobicContact CG1-CG 4.31Å; V178-Q182 WeakPolarHBondContact O-CG 3.17Å; V178-Q182 PolarHBondContact O-N 3.5Å; D179-Q182 PolarHBondContact O-N 3.11Å; Q182-L186 WeakPolarHBondContact O-CB 3.48Å; Q182-L186 PolarHBondContact O-N 3.45Å; Q182-V858 HydrophobicContact CB-CG1 4.3Å; Q182-V858 HydrophobicContact CG-CG1 4.07Å
183	E	97.1	Very high	97	Very high	22 Å²	22	14.3 Å²	14.3	10%	0.103	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-41.9	-179.8	-171.2	167	174.2	0	0	112.7	L64 D179 A180 R181 R187 Y578 L582	L64-E183 HydrophobicContact CD2-CB 3.68Å; L64-E183 HydrophobicContact CD2-CG 4.11Å; D179-E183 WeakPolarHBondContact O-CB 3.44Å; D179-E183 PolarHBondContact O-N 3.29Å; A180-E183 PolarHBondContact O-N 2.9Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 2.94Å; E183-R187 HydrophobicContact CG-CG 4.29Å; E183-R187 VanDerWaalsContact O-CB 3.31Å; E183-R187 WeakPolarHBondContact O-CB 3.49Å; E183-R187 VanDerWaalsContact O-CG 3.25Å; E183-R187 WeakPolarHBondContact O-CG 3.5Å; E183-R187 PolarHBondContact O-N 2.95Å; E183-R187 IonicContact OE1-CZ 3.54Å; E183-R187 IonicContact OE1-NE 3.91Å; E183-R187 PolarHBondContact OE1-NE 3.34Å; E183-R187 IonicContact OE1-NH2 3.09Å; E183-R187 PolarHBondContact OE1-NH2 3.13Å; E183-Y578 PolarHBondContact OE2-OH 2.99Å; E183-L582 HydrophobicContact CB-CD1 4.09Å; E183-L582 HydrophobicContact CG-CD1 4.02Å
184	L	97.3	Very high	96.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-62.6	-50	175.8	-72.1	174.5	0	0	0	111.4	A180 R181 L186 R187 I188 V564 L568 L582 T585 L586	A180-L184 WeakPolarHBondContact O-CB 3.43Å; A180-L184 WeakPolarHBondContact O-CG 3.29Å; A180-L184 PolarHBondContact O-N 3.39Å; R181-L184 PolarHBondContact O-N 3.38Å; L184-L186 PolarHBondContact O-N 2.95Å; L184-R187 PolarHBondContact O-N 3.27Å; L184-I188 HydrophobicContact CB-CD1 4.3Å; L184-I188 HydrophobicContact CD2-CD1 4.37Å; L184-I188 VanDerWaalsContact O-CB 3.25Å; L184-I188 WeakPolarHBondContact O-CB 3.47Å; L184-I188 WeakPolarHBondContact O-CD1 3.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.31Å; L184-I188 PolarHBondContact O-N 2.96Å; L184-V564 HydrophobicContact CD1-CG1 3.88Å; L184-L568 HydrophobicContact CD1-CD2 4.38Å; L184-L582 HydrophobicContact CD2-CD1 3.72Å; L184-L582 HydrophobicContact CG-CD1 3.83Å; L184-T585 HydrophobicContact CD1-CG2 4.03Å; L184-T585 HydrophobicContact CD2-CG2 3.67Å; L184-T585 HydrophobicContact CG-CG2 4.47Å; L184-L586 HydrophobicContact CD2-CD2 3.86Å; L184-L586 HydrophobicContact CD2-CG 3.81Å
185	D	95.9	Very high	96.7	Very high	15 Å²	15	10.6 Å²	10.6	8%	0.08	5%	0.05	C	C	.	.	H	α-helix	trans	-64.1	-41.4	-177.8	-68.7	-14.5	0	0	0	110.8	R181 G189 P216 R561	R181-D185 IonicContact NH1-OD2 3.79Å; R181-D185 WeakPolarHBondContact O-CB 3.36Å; R181-D185 VanDerWaalsContact O-CG 3.26Å; R181-D185 PolarHBondContact O-N 3.32Å; D185-G189 VanDerWaalsContact O-CA 3.31Å; D185-G189 WeakPolarHBondContact O-CA 3.4Å; D185-G189 PolarHBondContact O-N 3.12Å; D185-P216 WeakPolarHBondContact OD1-CG 3.1Å; D185-R561 IonicContact OD1-CZ 3.39Å; D185-R561 IonicContact OD1-NH1 3.15Å; D185-R561 PolarHBondContact OD1-NH1 2.88Å; D185-R561 IonicContact OD1-NH2 3.3Å; D185-R561 IonicContact OD2-NH1 2.73Å; D185-R561 IonicContact OD2-NH2 3.76Å
186	L	96	Very high	96.5	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-62.7	-53.2	175.1	176.6	66.3	0	0	0	112.1	L64 F66 T87 Q182 L184 C190 V858	L64-L186 HydrophobicContact CB-CD2 4.41Å; L64-L186 HydrophobicContact CD2-CD2 4.12Å; L64-L186 HydrophobicContact CG-CD2 4.06Å; F66-L186 HydrophobicContact CE2-CD1 4.03Å; F66-L186 HydrophobicContact CE2-CD2 4.31Å; F66-L186 HydrophobicContact CE2-CG 3.94Å; F66-L186 HydrophobicContact CZ-CD2 4.37Å; F66-L186 HydrophobicContact CZ-CG 4.02Å; T87-L186 HydrophobicContact CG2-CD2 4.19Å; Q182-L186 WeakPolarHBondContact O-CB 3.48Å; Q182-L186 PolarHBondContact O-N 3.45Å; L184-L186 PolarHBondContact O-N 2.95Å; L186-C190 WeakPolarHBondContact O-CB 3.49Å; L186-C190 PolarHBondContact O-N 3.48Å; L186-C190 PolarHBondContact O-SG 3.48Å; L186-C190 VanDerWaalsContact O-SG 3.38Å; L186-V858 HydrophobicContact CD1-CG2 4.19Å
187	R	97.3	Very high	96.2	Very high	17 Å²	17	9.3 Å²	9.3	6%	0.064	4%	0.043	C	C	.	.	H	α-helix	trans	-65.4	-51.7	-174.8	-72.4	-178.7	-178	-75.5	0.5	111.5	F66 L81 A85 T87 E183 L184 A191 L586	F66-R187 HydrophobicContact CE1-CG 4.12Å; F66-R187 HydrophobicContact CZ-CG 4.3Å; L81-R187 WeakPolarHBondContact O-CG 3.4Å; L81-R187 PolarHBondContact O-NH1 3.42Å; A85-R187 PolarHBondContact O-NH1 3.09Å; A85-R187 PolarHBondContact O-NH2 2.88Å; T87-R187 PolarHBondContact OG1-NH2 2.77Å; E183-R187 HydrophobicContact CG-CG 4.29Å; E183-R187 VanDerWaalsContact O-CB 3.31Å; E183-R187 WeakPolarHBondContact O-CB 3.49Å; E183-R187 VanDerWaalsContact O-CG 3.25Å; E183-R187 WeakPolarHBondContact O-CG 3.5Å; E183-R187 PolarHBondContact O-N 2.95Å; E183-R187 IonicContact OE1-CZ 3.54Å; E183-R187 IonicContact OE1-NE 3.91Å; E183-R187 PolarHBondContact OE1-NE 3.34Å; E183-R187 IonicContact OE1-NH2 3.09Å; E183-R187 PolarHBondContact OE1-NH2 3.13Å; L184-R187 PolarHBondContact O-N 3.27Å; R187-A191 VanDerWaalsContact O-CB 3.26Å; R187-A191 WeakPolarHBondContact O-CB 3.48Å; R187-A191 PolarHBondContact O-N 3.19Å; R187-L586 HydrophobicContact CB-CD2 3.81Å; R187-L586 HydrophobicContact CG-CD2 4.38Å
188	I	97.9	Very high	95.8	Very high	2 Å²	2	14 Å²	14	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-66.6	-49	-178.5	-60.5	165.6	0	0	0	109.3	F82 L184 C190 A191 F192 F214 P216 L586 F589	F82-I188 HydrophobicContact CE1-CG1 4.19Å; L184-I188 HydrophobicContact CB-CD1 4.3Å; L184-I188 HydrophobicContact CD2-CD1 4.37Å; L184-I188 VanDerWaalsContact O-CB 3.25Å; L184-I188 WeakPolarHBondContact O-CB 3.47Å; L184-I188 WeakPolarHBondContact O-CD1 3.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.31Å; L184-I188 PolarHBondContact O-N 2.96Å; I188-C190 PolarHBondContact O-N 3.37Å; I188-A191 PolarHBondContact O-N 3.18Å; I188-F192 HydrophobicContact CG2-CD2 3.99Å; I188-F192 HydrophobicContact CG2-CE2 4.11Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.26Å; I188-F214 HydrophobicContact CG2-CD1 4.27Å; I188-F214 HydrophobicContact CG2-CE1 3.72Å; I188-P216 HydrophobicContact CG2-CB 4.38Å; I188-L586 HydrophobicContact CG1-CD2 4.36Å; I188-F589 HydrophobicContact CD1-CB 4.04Å; I188-F589 HydrophobicContact CD1-CD1 4.11Å; I188-F589 HydrophobicContact CD1-CD2 3.46Å; I188-F589 VanDerWaalsContact CD1-CD2 3.46Å; I188-F589 HydrophobicContact CD1-CE1 4.44Å; I188-F589 HydrophobicContact CD1-CE2 3.85Å; I188-F589 HydrophobicContact CD1-CG 3.59Å; I188-F589 HydrophobicContact CD1-CZ 4.32Å; I188-F589 HydrophobicContact CG1-CB 3.91Å; I188-F589 HydrophobicContact CG1-CD1 4.33Å; I188-F589 HydrophobicContact CG1-CD2 4.28Å; I188-F589 HydrophobicContact CG1-CG 3.92Å; I188-F589 HydrophobicContact CG2-CB 4.46Å; I188-F589 HydrophobicContact CG2-CD1 3.63Å; I188-F589 HydrophobicContact CG2-CE1 4.03Å; I188-F589 HydrophobicContact CG2-CG 4.1Å
189	G	96.2	Very high	95.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.2	-49.8	-178.7	0	0	0	0	0	112.2	D185 T193 F214	D185-G189 VanDerWaalsContact O-CA 3.31Å; D185-G189 WeakPolarHBondContact O-CA 3.4Å; D185-G189 PolarHBondContact O-N 3.12Å; G189-T193 WeakPolarHBondContact O-CB 3.22Å; G189-T193 PolarHBondContact O-N 3.47Å; G189-T193 PolarHBondContact O-OG1 3.12Å; G189-F214 WeakPolarHBondContact CA-O 3.45Å
190	C	95.6	Very high	95	Very high	1 Å²	1	16 Å²	16	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-66.1	-41	179.2	-75.3	0	0	0	0	112.7	F66 L81 L186 I188 R194	F66-C190 HydrophobicContact CE2-CB 3.94Å; F66-C190 HydrophobicContact CZ-CB 4.34Å; L81-C190 HydrophobicContact CD1-CB 3.96Å; L186-C190 WeakPolarHBondContact O-CB 3.49Å; L186-C190 PolarHBondContact O-N 3.48Å; L186-C190 PolarHBondContact O-SG 3.48Å; L186-C190 VanDerWaalsContact O-SG 3.38Å; I188-C190 PolarHBondContact O-N 3.37Å; C190-R194 WeakPolarHBondContact O-CB 3.19Å; C190-R194 WeakPolarHBondContact O-CG 3.19Å; C190-R194 PolarHBondContact O-N 3Å
191	A	96.9	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-53.3	-178.9	0	0	0	0	0	111.8	P78 L81 F82 R187 I188 F195 F593	P78-A191 WeakPolarHBondContact CB-O 3.49Å; L81-A191 HydrophobicContact CB-CB 4.42Å; F82-A191 HydrophobicContact CD2-CB 4.09Å; F82-A191 HydrophobicContact CE1-CB 4.47Å; F82-A191 HydrophobicContact CE2-CB 3.32Å; F82-A191 HydrophobicContact CZ-CB 3.55Å; R187-A191 VanDerWaalsContact O-CB 3.26Å; R187-A191 WeakPolarHBondContact O-CB 3.48Å; R187-A191 PolarHBondContact O-N 3.19Å; I188-A191 PolarHBondContact O-N 3.18Å; A191-F195 WeakPolarHBondContact O-CB 3.39Å; A191-F195 PolarHBondContact O-N 3.42Å; A191-F593 HydrophobicContact CB-CD2 4.35Å; A191-F593 HydrophobicContact CB-CE2 4.28Å; A191-F593 WeakPolarHBondContact O-CE2 3.49Å
192	F	97.5	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.6	-42.1	178.5	-80.1	-94.3	0	0	0	112.2	F82 I188 Q196 F214 L555 F589 F593 F596	F82-F192 HydrophobicContact CZ-CD2 4.41Å; F82-F192 HydrophobicContact CZ-CE2 4.11Å; I188-F192 HydrophobicContact CG2-CD2 3.99Å; I188-F192 HydrophobicContact CG2-CE2 4.11Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.26Å; F192-Q196 WeakPolarHBondContact O-CG 3.4Å; F192-Q196 PolarHBondContact O-N 3.11Å; F192-Q196 PolarHBondContact O-NE2 3.45Å; F192-F214 HydrophobicContact CB-CB 3.51Å; F192-F214 HydrophobicContact CB-CD1 3.56Å; F192-F214 HydrophobicContact CB-CE1 4.44Å; F192-F214 HydrophobicContact CB-CG 3.6Å; F192-F214 HydrophobicContact CD1-CD1 4.41Å; F192-F214 HydrophobicContact CD1-CG 4.36Å; F192-F214 AromaticContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CE1 4.03Å; F192-F214 HydrophobicContact CE2-CE1 4.44Å; F192-F214 HydrophobicContact CG-CB 4.4Å; F192-F214 AromaticContact CG-CD1 3.73Å; F192-F214 HydrophobicContact CG-CD1 3.73Å; F192-F214 HydrophobicContact CG-CE1 4.14Å; F192-F214 AromaticContact CG-CG 3.98Å; F192-F214 HydrophobicContact CG-CG 3.98Å; F192-L555 HydrophobicContact CE1-CD1 4.2Å; F192-L555 HydrophobicContact CE1-CD2 4.32Å; F192-L555 HydrophobicContact CZ-CD2 4.12Å; F192-F589 HydrophobicContact CE2-CD1 4.36Å; F192-F593 HydrophobicContact CD1-CD2 4.07Å; F192-F593 AromaticContact CD2-CD2 3.87Å; F192-F593 HydrophobicContact CD2-CD2 3.87Å; F192-F593 HydrophobicContact CE1-CB 4.46Å; F192-F593 HydrophobicContact CE1-CD2 4.1Å; F192-F593 HydrophobicContact CE2-CB 3.82Å; F192-F593 AromaticContact CE2-CD2 3.91Å; F192-F593 HydrophobicContact CE2-CD2 3.91Å; F192-F593 HydrophobicContact CE2-CG 4.36Å; F192-F593 AromaticContact CG-CD2 3.96Å; F192-F593 HydrophobicContact CG-CD2 3.96Å; F192-F593 HydrophobicContact CZ-CB 3.75Å; F192-F593 HydrophobicContact CZ-CD2 4.03Å; F192-F593 HydrophobicContact CZ-CG 4.41Å; F192-F596 AromaticContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CE1 4.24Å; F192-F596 HydrophobicContact CD1-CG 4.25Å; F192-F596 HydrophobicContact CE1-CB 3.92Å; F192-F596 AromaticContact CE1-CD1 3.94Å; F192-F596 HydrophobicContact CE1-CD1 3.94Å; F192-F596 HydrophobicContact CE1-CD2 4.48Å; F192-F596 AromaticContact CE1-CG 3.85Å; F192-F596 HydrophobicContact CE1-CG 3.85Å
193	T	95.9	Very high	92.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-53.9	-179.6	-63.7	0	0	0	0	111.2	W73 G189 F195 Q196 T197 I212 S213 F214 F857	W73-T193 HydrophobicContact CH2-CG2 3.98Å; W73-T193 HydrophobicContact CZ3-CG2 4.15Å; G189-T193 WeakPolarHBondContact O-CB 3.22Å; G189-T193 PolarHBondContact O-N 3.47Å; G189-T193 PolarHBondContact O-OG1 3.12Å; T193-F195 VanDerWaalsContact C-N 3.3Å; T193-F195 PolarHBondContact O-N 3.13Å; T193-Q196 PolarHBondContact O-N 3.31Å; T193-T197 WeakPolarHBondContact O-CB 3.26Å; T193-T197 PolarHBondContact O-N 2.96Å; T193-T197 PolarHBondContact O-OG1 2.96Å; T193-T197 VanDerWaalsContact O-OG1 3.06Å; T193-I212 WeakPolarHBondContact CG2-O 3.44Å; T193-S213 WeakPolarHBondContact OG1-CA 3.5Å; T193-F214 PolarHBondContact OG1-N 3.1Å; T193-F214 PolarHBondContact OG1-O 2.99Å; T193-F857 HydrophobicContact CG2-CZ 4.05Å
194	R	94.3	Very high	91.5	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-39.1	-175.9	-67.4	-175.9	-172.8	-171.8	7	112	Y70 W73 P78 C190 K198	Y70-R194 PolarHBondContact O-NH1 2.95Å; Y70-R194 PolarHBondContact O-NH2 2.65Å; W73-R194 HydrophobicContact CD2-CG 3.65Å; W73-R194 HydrophobicContact CE3-CB 4.25Å; W73-R194 HydrophobicContact CE3-CG 3.61Å; W73-R194 HydrophobicContact CG-CG 4.16Å; W73-R194 HydrophobicContact CH2-CG 4.21Å; W73-R194 HydrophobicContact CZ2-CG 4.27Å; W73-R194 HydrophobicContact CZ3-CG 3.89Å; P78-R194 HydrophobicContact CG-CB 4.27Å; C190-R194 WeakPolarHBondContact O-CB 3.19Å; C190-R194 WeakPolarHBondContact O-CG 3.19Å; C190-R194 PolarHBondContact O-N 3Å; R194-K198 VanDerWaalsContact O-CB 3.23Å; R194-K198 WeakPolarHBondContact O-CB 2.96Å; R194-K198 PolarHBondContact O-N 3.14Å; R194-K198 VanDerWaalsContact O-N 3.07Å
195	F	95.5	Very high	89.9	Confident	32 Å²	32	30.1 Å²	30.1	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-52.9	174.3	173.6	-101.2	0	0	0	111.3	P78 A191 T193 K198 Y199 F593 F596 V597 I600	P78-F195 HydrophobicContact CB-CB 4.21Å; P78-F195 HydrophobicContact CG-CB 4.06Å; A191-F195 WeakPolarHBondContact O-CB 3.39Å; A191-F195 PolarHBondContact O-N 3.42Å; T193-F195 VanDerWaalsContact C-N 3.3Å; T193-F195 PolarHBondContact O-N 3.13Å; F195-K198 PolarHBondContact O-N 2.99Å; F195-Y199 HydrophobicContact CZ-CD2 4.22Å; F195-Y199 VanDerWaalsContact O-CB 3.23Å; F195-Y199 WeakPolarHBondContact O-CB 3.44Å; F195-Y199 PolarHBondContact O-N 3.42Å; F195-F593 HydrophobicContact CB-CE2 3.86Å; F195-F593 HydrophobicContact CB-CZ 3.9Å; F195-F593 HydrophobicContact CD2-CZ 4.4Å; F195-F593 HydrophobicContact CG-CE2 4.23Å; F195-F593 HydrophobicContact CG-CZ 4.13Å; F195-F596 HydrophobicContact CD1-CD1 4.24Å; F195-F596 AromaticContact CD1-CE1 3.82Å; F195-F596 HydrophobicContact CD1-CE1 3.82Å; F195-F596 HydrophobicContact CE1-CD1 4.22Å; F195-F596 AromaticContact CE1-CE1 3.87Å; F195-F596 HydrophobicContact CE1-CE1 3.87Å; F195-V597 HydrophobicContact CD1-CG2 4.14Å; F195-V597 HydrophobicContact CD2-CG2 3.94Å; F195-V597 HydrophobicContact CE1-CG2 3.91Å; F195-V597 HydrophobicContact CE2-CB 4.27Å; F195-V597 HydrophobicContact CE2-CG1 3.77Å; F195-V597 HydrophobicContact CE2-CG2 3.72Å; F195-V597 HydrophobicContact CG-CG2 4.15Å; F195-V597 HydrophobicContact CZ-CB 4.04Å; F195-V597 HydrophobicContact CZ-CG1 3.8Å; F195-V597 HydrophobicContact CZ-CG2 3.71Å; F195-I600 HydrophobicContact CE1-CB 4.34Å; F195-I600 HydrophobicContact CE1-CD1 3.76Å; F195-I600 HydrophobicContact CE1-CG1 3.85Å; F195-I600 HydrophobicContact CZ-CB 4.32Å; F195-I600 HydrophobicContact CZ-CD1 4.49Å; F195-I600 HydrophobicContact CZ-CG1 4.08Å
196	Q	93.7	Very high	88.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-44.6	-176.8	-69.6	172.1	91.5	0	0	112.7	F192 T193 K198 Y199 F200 I212 Y548 F596 M603	F192-Q196 WeakPolarHBondContact O-CG 3.4Å; F192-Q196 PolarHBondContact O-N 3.11Å; F192-Q196 PolarHBondContact O-NE2 3.45Å; T193-Q196 PolarHBondContact O-N 3.31Å; Q196-K198 VanDerWaalsContact C-N 3.28Å; Q196-K198 PolarHBondContact O-N 3.09Å; Q196-Y199 PolarHBondContact O-N 2.7Å; Q196-F200 HydrophobicContact CB-CD2 4.24Å; Q196-F200 HydrophobicContact CB-CE2 4.41Å; Q196-F200 WeakPolarHBondContact O-CB 3.36Å; Q196-F200 VanDerWaalsContact O-CD2 3.24Å; Q196-F200 WeakPolarHBondContact O-CD2 3.42Å; Q196-F200 PolarHBondContact O-N 3.23Å; Q196-I212 HydrophobicContact CB-CG2 3.75Å; Q196-Y548 PolarHBondContact NE2-OH 3.5Å; Q196-Y548 PolarHBondContact OE1-OH 2.99Å; Q196-F596 HydrophobicContact CG-CE1 3.85Å; Q196-F596 HydrophobicContact CG-CZ 3.96Å; Q196-M603 PolarHBondContact OE1-SD 3.31Å
197	T	90.4	Very high	87.5	Confident	10 Å²	10	35.6 Å²	35.6	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-55.6	-47.6	176.3	-58.6	0	0	0	0	110	W73 T193 Q201 I212	W73-T197 HydrophobicContact CZ3-CG2 4.26Å; T193-T197 WeakPolarHBondContact O-CB 3.26Å; T193-T197 PolarHBondContact O-N 2.96Å; T193-T197 PolarHBondContact O-OG1 2.96Å; T193-T197 VanDerWaalsContact O-OG1 3.06Å; T197-Q201 WeakPolarHBondContact O-CA 3.44Å; T197-Q201 VanDerWaalsContact O-CB 3.28Å; T197-Q201 WeakPolarHBondContact O-CB 3.46Å; T197-Q201 PolarHBondContact O-N 3.02Å; T197-I212 PolarHBondContact OG1-O 3.38Å
198	K	89.7	Confident	86.5	Confident	103 Å²	103	39 Å²	39	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-40.4	178.3	-172.6	173.2	-176.7	172.5	0	112.6	D74 R194 F195 Q196	D74-K198 PolarHBondContact O-NZ 2.76Å; R194-K198 VanDerWaalsContact O-CB 3.23Å; R194-K198 WeakPolarHBondContact O-CB 2.96Å; R194-K198 PolarHBondContact O-N 3.14Å; R194-K198 VanDerWaalsContact O-N 3.07Å; F195-K198 PolarHBondContact O-N 2.99Å; Q196-K198 VanDerWaalsContact C-N 3.28Å; Q196-K198 PolarHBondContact O-N 3.09Å
199	Y	90.5	Very high	85.5	Confident	73 Å²	73	39.4 Å²	39.4	29%	0.286	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-41.5	-179.8	-176.7	-89.7	0	0	0	112.4	F195 Q196 K203 I600 D604	F195-Y199 HydrophobicContact CZ-CD2 4.22Å; F195-Y199 VanDerWaalsContact O-CB 3.23Å; F195-Y199 WeakPolarHBondContact O-CB 3.44Å; F195-Y199 PolarHBondContact O-N 3.42Å; Q196-Y199 PolarHBondContact O-N 2.7Å; Y199-K203 PolarHBondContact OH-NZ 3.06Å; Y199-I600 HydrophobicContact CD1-CG1 3.97Å; Y199-I600 HydrophobicContact CD2-CG1 4.22Å; Y199-I600 HydrophobicContact CE1-CG1 3.75Å; Y199-I600 HydrophobicContact CE2-CG1 4Å; Y199-I600 HydrophobicContact CE2-CG2 3.84Å; Y199-I600 HydrophobicContact CG-CG1 4.22Å; Y199-D604 HydrophobicContact CE1-CB 4.25Å; Y199-D604 WeakPolarHBondContact CE1-OD1 3.44Å
200	F	86.8	Confident	84.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-91.8	-5	-178.7	-67	-62	0	0	0	114.1	Q196 G202 K203 Y204 L207 I212 I600 M603 D604 M607	Q196-F200 HydrophobicContact CB-CD2 4.24Å; Q196-F200 HydrophobicContact CB-CE2 4.41Å; Q196-F200 WeakPolarHBondContact O-CB 3.36Å; Q196-F200 VanDerWaalsContact O-CD2 3.24Å; Q196-F200 WeakPolarHBondContact O-CD2 3.42Å; Q196-F200 PolarHBondContact O-N 3.23Å; F200-G202 PolarHBondContact O-N 3.49Å; F200-G202 VanDerWaalsContact O-N 3.12Å; F200-K203 HydrophobicContact CD1-CD 4.38Å; F200-K203 WeakPolarHBondContact O-CB 3.29Å; F200-K203 PolarHBondContact O-N 3.42Å; F200-K203 VanDerWaalsContact O-N 3.09Å; F200-Y204 HydrophobicContact CD1-CD2 4.28Å; F200-Y204 AromaticContact CD1-CE2 3.72Å; F200-Y204 HydrophobicContact CD1-CE2 3.72Å; F200-Y204 HydrophobicContact CE1-CE2 4.02Å; F200-L207 HydrophobicContact CB-CD2 3.98Å; F200-L207 HydrophobicContact CG-CD2 4.4Å; F200-I212 HydrophobicContact CB-CD1 4.06Å; F200-I212 HydrophobicContact CD2-CD1 3.76Å; F200-I212 HydrophobicContact CG-CD1 4.15Å; F200-I600 HydrophobicContact CZ-CD1 4.44Å; F200-M603 HydrophobicContact CE2-CG 4.33Å; F200-M603 HydrophobicContact CE2-SD 4.23Å; F200-M603 HydrophobicContact CZ-CG 3.98Å; F200-M603 HydrophobicContact CZ-SD 4.47Å; F200-D604 WeakPolarHBondContact CE1-OD1 3.43Å; F200-M607 HydrophobicContact CD1-CB 4.49Å; F200-M607 HydrophobicContact CD1-CG 4.45Å; F200-M607 HydrophobicContact CE1-CB 3.91Å; F200-M607 HydrophobicContact CE1-CG 3.8Å; F200-M607 HydrophobicContact CE2-CG 4.44Å; F200-M607 HydrophobicContact CZ-CB 4.4Å; F200-M607 HydrophobicContact CZ-CG 3.82Å
201	Q	84.3	Confident	83.6	Confident	121 Å²	121	43.8 Å²	43.8	57%	0.565	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	117	-177.2	-166.4	174.2	25	0	0	111.6	T197 K203 S209	T197-Q201 WeakPolarHBondContact O-CA 3.44Å; T197-Q201 VanDerWaalsContact O-CB 3.28Å; T197-Q201 WeakPolarHBondContact O-CB 3.46Å; T197-Q201 PolarHBondContact O-N 3.02Å; Q201-K203 PolarHBondContact O-N 3.46Å; Q201-K203 VanDerWaalsContact O-N 3.13Å; Q201-S209 WeakPolarHBondContact CA-OG 3.4Å
202	G	76.1	Confident	83.4	Confident	77 Å²	77	43.8 Å²	43.8	79%	0.794	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	7.3	178.9	0	0	0	0	0	114.9	F200	F200-G202 PolarHBondContact O-N 3.49Å; F200-G202 VanDerWaalsContact O-N 3.12Å
203	K	79.6	Confident	83.2	Confident	87 Å²	87	43.8 Å²	43.8	38%	0.378	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-35.9	-179.4	-166.5	171.4	-177	178.5	0	112.4	Y199 F200 Q201 D604	Y199-K203 PolarHBondContact OH-NZ 3.06Å; F200-K203 HydrophobicContact CD1-CD 4.38Å; F200-K203 WeakPolarHBondContact O-CB 3.29Å; F200-K203 PolarHBondContact O-N 3.42Å; F200-K203 VanDerWaalsContact O-N 3.09Å; Q201-K203 PolarHBondContact O-N 3.46Å; Q201-K203 VanDerWaalsContact O-N 3.13Å; K203-D604 VanDerWaalsContact CE-OD1 3.32Å; K203-D604 WeakPolarHBondContact CE-OD1 3.4Å; K203-D604 IonicContact NZ-OD1 2.71Å; K203-D604 PolarHBondContact NZ-OD1 2.9Å; K203-D604 IonicContact NZ-OD2 2.67Å; K203-D604 PolarHBondContact NZ-OD2 2.97Å
204	Y	75.3	Confident	83.3	Confident	15 Å²	15	43.8 Å²	43.8	6%	0.059	25%	0.251	C	S	.	.	S	Bend	trans	-125.9	124.8	179.9	-54.3	-64.6	0	0	0	110.7	F200 N206 L207 D604 M607 E608 F611	F200-Y204 HydrophobicContact CD1-CD2 4.28Å; F200-Y204 AromaticContact CD1-CE2 3.72Å; F200-Y204 HydrophobicContact CD1-CE2 3.72Å; F200-Y204 HydrophobicContact CE1-CE2 4.02Å; Y204-N206 PolarHBondContact O-N 2.96Å; Y204-N206 VanDerWaalsContact O-N 3.14Å; Y204-L207 HydrophobicContact CD2-CD2 3.79Å; Y204-L207 PolarHBondContact O-N 3.3Å; Y204-L207 VanDerWaalsContact O-N 3.14Å; Y204-D604 PolarHBondContact OH-O 2.93Å; Y204-D604 PolarHBondContact OH-OD1 2.82Å; Y204-M607 HydrophobicContact CD2-CB 4.32Å; Y204-M607 HydrophobicContact CE2-CB 3.63Å; Y204-E608 HydrophobicContact CE1-CB 3.91Å; Y204-E608 HydrophobicContact CE1-CG 4.09Å; Y204-E608 PolarHBondContact OH-N 3.27Å; Y204-F611 HydrophobicContact CD2-CB 4.48Å; Y204-F611 HydrophobicContact CG-CB 4.19Å
205	G	62	Low	83.4	Confident	69 Å²	69	43.8 Å²	43.8	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.2	-171.9	0	0	0	0	0	115.2
206	N	69.3	Low	83.4	Confident	116 Å²	116	42.9 Å²	42.9	62%	0.62	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	6.9	-179	-62.3	-4.1	0	0	0	112.9	Y204	Y204-N206 PolarHBondContact O-N 2.96Å; Y204-N206 VanDerWaalsContact O-N 3.14Å
207	L	73.4	Confident	83.5	Confident	16 Å²	16	43 Å²	43	8%	0.084	25%	0.251	C	S	.	.			trans	-107.4	114.5	178.5	179.4	65.8	0	0	0	109.7	F200 Y204 S209 I212 L540 M607 F611	F200-L207 HydrophobicContact CB-CD2 3.98Å; F200-L207 HydrophobicContact CG-CD2 4.4Å; Y204-L207 HydrophobicContact CD2-CD2 3.79Å; Y204-L207 PolarHBondContact O-N 3.3Å; Y204-L207 VanDerWaalsContact O-N 3.14Å; L207-S209 PolarHBondContact O-N 3.44Å; L207-S209 VanDerWaalsContact O-N 3.11Å; L207-I212 HydrophobicContact CD1-CD1 4.26Å; L207-I212 HydrophobicContact CD2-CD1 3.97Å; L207-I212 HydrophobicContact CG-CD1 4.41Å; L207-L540 HydrophobicContact CD1-CD1 3.92Å; L207-M607 HydrophobicContact CD2-SD 4.45Å; L207-F611 HydrophobicContact CB-CB 4.09Å; L207-F611 HydrophobicContact CB-CD1 4.3Å; L207-F611 HydrophobicContact CB-CG 4.22Å; L207-F611 HydrophobicContact CD1-CD1 4.12Å; L207-F611 HydrophobicContact CD1-CD2 4.35Å; L207-F611 HydrophobicContact CD1-CE1 4.23Å; L207-F611 HydrophobicContact CD1-CE2 4.45Å; L207-F611 HydrophobicContact CD1-CG 4.2Å; L207-F611 HydrophobicContact CD1-CZ 4.4Å
208	D	76	Confident	83.8	Confident	88 Å²	88	42.9 Å²	42.9	47%	0.471	25%	0.25	S	C	.	.			trans	-78.4	93.1	162.1	-173.7	-3.7	0	0	0	109.4	S210 L211	D208-S210 PolarHBondContact O-N 3.21Å; D208-S210 VanDerWaalsContact OD1-CB 3.28Å; D208-S210 WeakPolarHBondContact OD1-CB 3.3Å; D208-S210 PolarHBondContact OD1-N 2.71Å; D208-S210 PolarHBondContact OD1-OG 2.9Å; D208-S210 PolarHBondContact OD2-OG 3.4Å; D208-L211 HydrophobicContact CB-CD1 3.92Å; D208-L211 HydrophobicContact CB-CG 4Å; D208-L211 WeakPolarHBondContact O-CB 3.43Å; D208-L211 PolarHBondContact O-N 3.49Å
209	S	76.2	Confident	84.2	Confident	11 Å²	11	38.2 Å²	38.2	8%	0.077	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.5	-20.4	178.1	58.9	0	0	0	0	114.1	Q201 L207 L211 I212	Q201-S209 WeakPolarHBondContact CA-OG 3.4Å; L207-S209 PolarHBondContact O-N 3.44Å; L207-S209 VanDerWaalsContact O-N 3.11Å; S209-L211 PolarHBondContact O-N 2.81Å; S209-I212 PolarHBondContact O-N 2.83Å
210	S	74.9	Confident	84.6	Confident	27 Å²	27	35 Å²	35	19%	0.189	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-70.1	-16.3	177	74.9	0	0	0	0	113.3	D208	D208-S210 PolarHBondContact O-N 3.21Å; D208-S210 VanDerWaalsContact OD1-CB 3.28Å; D208-S210 WeakPolarHBondContact OD1-CB 3.3Å; D208-S210 PolarHBondContact OD1-N 2.71Å; D208-S210 PolarHBondContact OD1-OG 2.9Å; D208-S210 PolarHBondContact OD2-OG 3.4Å
211	L	78.2	Confident	85.2	Confident	66 Å²	66	35 Å²	35	35%	0.346	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-82.3	-15	174.5	-57.4	178.8	0	0	0	112.6	D208 S209 Y526 L540	D208-L211 HydrophobicContact CB-CD1 3.92Å; D208-L211 HydrophobicContact CB-CG 4Å; D208-L211 WeakPolarHBondContact O-CB 3.43Å; D208-L211 PolarHBondContact O-N 3.49Å; S209-L211 PolarHBondContact O-N 2.81Å; L211-Y526 WeakPolarHBondContact O-CE1 3.43Å; L211-Y526 PolarHBondContact O-OH 2.86Å; L211-L540 HydrophobicContact CB-CD2 4.13Å
212	I	91	Very high	85.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.192	C	C	.	.			trans	-75.8	128.2	179.1	-61.9	172.2	0	0	0	109.5	T193 Q196 T197 F200 L207 S209 L540 L544 M607	T193-I212 WeakPolarHBondContact CG2-O 3.44Å; Q196-I212 HydrophobicContact CB-CG2 3.75Å; T197-I212 PolarHBondContact OG1-O 3.38Å; F200-I212 HydrophobicContact CB-CD1 4.06Å; F200-I212 HydrophobicContact CD2-CD1 3.76Å; F200-I212 HydrophobicContact CG-CD1 4.15Å; L207-I212 HydrophobicContact CD1-CD1 4.26Å; L207-I212 HydrophobicContact CD2-CD1 3.97Å; L207-I212 HydrophobicContact CG-CD1 4.41Å; S209-I212 PolarHBondContact O-N 2.83Å; I212-L540 HydrophobicContact CG1-CD1 4.21Å; I212-L544 HydrophobicContact CG2-CD2 3.97Å; I212-M607 HydrophobicContact CD1-CE 4.22Å
213	S	94.6	Very high	86.9	Confident	1 Å²	1	26 Å²	26	1%	0.007	16%	0.157	C	C	.	.			trans	-153	147.9	178.8	62.8	0	0	0	0	110.2	T193 Q218 Y526	T193-S213 WeakPolarHBondContact OG1-CA 3.5Å; S213-Q218 PolarHBondContact OG-NE2 3.33Å; S213-Y526 WeakPolarHBondContact CA-OH 3.28Å; S213-Y526 PolarHBondContact N-OH 3.09Å; S213-Y526 PolarHBondContact O-OH 2.81Å; S213-Y526 PolarHBondContact OG-OH 3.05Å
214	F	97.5	Very high	87.9	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	14%	0.14	C	C	.	.			trans	-118.7	138	172.2	177.5	-90	0	0	0	108.5	I188 G189 F192 T193 T219 Y548 L555	I188-F214 HydrophobicContact CG2-CD1 4.27Å; I188-F214 HydrophobicContact CG2-CE1 3.72Å; G189-F214 WeakPolarHBondContact CA-O 3.45Å; F192-F214 HydrophobicContact CB-CB 3.51Å; F192-F214 HydrophobicContact CB-CD1 3.56Å; F192-F214 HydrophobicContact CB-CE1 4.44Å; F192-F214 HydrophobicContact CB-CG 3.6Å; F192-F214 HydrophobicContact CD1-CD1 4.41Å; F192-F214 HydrophobicContact CD1-CG 4.36Å; F192-F214 AromaticContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CD1 3.94Å; F192-F214 HydrophobicContact CD2-CE1 4.03Å; F192-F214 HydrophobicContact CE2-CE1 4.44Å; F192-F214 HydrophobicContact CG-CB 4.4Å; F192-F214 AromaticContact CG-CD1 3.73Å; F192-F214 HydrophobicContact CG-CD1 3.73Å; F192-F214 HydrophobicContact CG-CE1 4.14Å; F192-F214 AromaticContact CG-CG 3.98Å; F192-F214 HydrophobicContact CG-CG 3.98Å; T193-F214 PolarHBondContact OG1-N 3.1Å; T193-F214 PolarHBondContact OG1-O 2.99Å; F214-T219 HydrophobicContact CD2-CG2 4.2Å; F214-T219 WeakPolarHBondContact CD2-OG1 3.3Å; F214-T219 HydrophobicContact CE2-CG2 3.91Å; F214-T219 WeakPolarHBondContact CE2-OG1 3.34Å; F214-Y548 HydrophobicContact CD2-CE1 4.02Å; F214-Y548 AromaticContact CD2-CE2 3.96Å; F214-Y548 HydrophobicContact CD2-CE2 3.96Å; F214-Y548 AromaticContact CD2-CZ 3.72Å; F214-L555 HydrophobicContact CE2-CB 4.29Å; F214-L555 HydrophobicContact CE2-CD2 4.44Å; F214-L555 HydrophobicContact CZ-CD2 4.1Å
215	G	96.1	Very high	89	Confident	7 Å²	7	21.6 Å²	21.6	7%	0.072	14%	0.138	C	C	.	.			trans	-138.5	136.4	170.2	0	0	0	0	0	109.9	C217 Q218 T219	G215-C217 PolarHBondContact O-N 2.94Å; G215-C217 VanDerWaalsContact O-N 3.11Å; G215-Q218 PolarHBondContact O-N 2.83Å; G215-T219 PolarHBondContact N-OG1 2.78Å; G215-T219 WeakPolarHBondContact O-CB 3.22Å; G215-T219 PolarHBondContact O-N 2.98Å; G215-T219 PolarHBondContact O-OG1 3.15Å; G215-T219 VanDerWaalsContact O-OG1 3.08Å
216	P	95.8	Very high	90.7	Very high	12 Å²	12	18.3 Å²	18.3	8%	0.078	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.4	-173.6	24.9	-35.3	0	0	0	114	D185 I188 P220 F589	D185-P216 WeakPolarHBondContact OD1-CG 3.1Å; I188-P216 HydrophobicContact CG2-CB 4.38Å; P216-P220 VanDerWaalsContact O-CD 3.29Å; P216-P220 WeakPolarHBondContact O-CD 3.48Å; P216-P220 WeakPolarHBondContact O-CG 3.48Å; P216-F589 HydrophobicContact CB-CZ 4.44Å
217	C	96.9	Very high	92.1	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.014	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-32.3	170.5	-160.9	0	0	0	0	113.4	G215 T219 P220 T221 H517 R561	G215-C217 PolarHBondContact O-N 2.94Å; G215-C217 VanDerWaalsContact O-N 3.11Å; C217-T219 PolarHBondContact O-N 3.39Å; C217-P220 WeakPolarHBondContact O-CD 3.47Å; C217-T221 WeakPolarHBondContact O-CB 3.35Å; C217-T221 PolarHBondContact O-N 2.78Å; C217-T221 VanDerWaalsContact O-N 3.14Å; C217-T221 PolarHBondContact O-OG1 2.83Å; C217-H517 PolarHBondContact SG-CD2 3.3Å; C217-R561 HydrophobicContact CB-CG 4.09Å
218	Q	96.4	Very high	93.3	Very high	9 Å²	9	18.6 Å²	18.6	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-42.5	178	-177.3	-177.8	-51.8	0	0	112	S213 G215 T221 L222 N520 I521	S213-Q218 PolarHBondContact OG-NE2 3.33Å; G215-Q218 PolarHBondContact O-N 2.83Å; Q218-T221 WeakPolarHBondContact O-CB 3.28Å; Q218-T221 PolarHBondContact O-N 2.79Å; Q218-L222 PolarHBondContact O-N 2.82Å; Q218-N520 HydrophobicContact CG-CB 4.4Å; Q218-I521 HydrophobicContact CG-CG2 3.4Å; Q218-I521 VanDerWaalsContact CG-CG2 3.4Å; Q218-I521 WeakPolarHBondContact O-CG2 3.46Å
219	T	98.3	Very high	94.3	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-67.8	-46.8	-177.1	-55.5	0	0	0	0	112	F214 G215 C217 T221 L222 G223 Y548 L555 V556	F214-T219 HydrophobicContact CD2-CG2 4.2Å; F214-T219 WeakPolarHBondContact CD2-OG1 3.3Å; F214-T219 HydrophobicContact CE2-CG2 3.91Å; F214-T219 WeakPolarHBondContact CE2-OG1 3.34Å; G215-T219 PolarHBondContact N-OG1 2.78Å; G215-T219 WeakPolarHBondContact O-CB 3.22Å; G215-T219 PolarHBondContact O-N 2.98Å; G215-T219 PolarHBondContact O-OG1 3.15Å; G215-T219 VanDerWaalsContact O-OG1 3.08Å; C217-T219 PolarHBondContact O-N 3.39Å; T219-T221 VanDerWaalsContact C-N 3.31Å; T219-T221 PolarHBondContact O-N 3.3Å; T219-L222 PolarHBondContact O-N 3.02Å; T219-G223 PolarHBondContact O-N 3.29Å; T219-Y548 HydrophobicContact CG2-CD2 3.62Å; T219-Y548 HydrophobicContact CG2-CE2 3.96Å; T219-Y548 HydrophobicContact CG2-CG 4.47Å; T219-L555 WeakPolarHBondContact CG2-O 3.5Å; T219-V556 HydrophobicContact CG2-CG2 4.38Å
220	P	98.5	Very high	95	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-35.9	171.5	-26.7	35.5	0	0	0	114.6	P216 C217 L222 G223 F224 I508 V556 P558	P216-P220 VanDerWaalsContact O-CD 3.29Å; P216-P220 WeakPolarHBondContact O-CD 3.48Å; P216-P220 WeakPolarHBondContact O-CG 3.48Å; C217-P220 WeakPolarHBondContact O-CD 3.47Å; P220-L222 PolarHBondContact O-N 2.73Å; P220-G223 WeakPolarHBondContact O-CA 3.04Å; P220-G223 PolarHBondContact O-N 3.3Å; P220-G223 VanDerWaalsContact O-N 3.07Å; P220-F224 PolarHBondContact O-N 2.83Å; P220-I508 HydrophobicContact CB-CD1 4.01Å; P220-V556 WeakPolarHBondContact CA-O 3.43Å; P220-V556 VanDerWaalsContact CB-O 3.28Å; P220-V556 WeakPolarHBondContact CB-O 3.38Å; P220-P558 HydrophobicContact CB-CB 4.38Å
221	T	98.6	Very high	95.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.8	-45.5	175.2	-56.3	0	0	0	0	111.1	C217 Q218 T219 G223 F224 L499 M503 I518 I521	C217-T221 WeakPolarHBondContact O-CB 3.35Å; C217-T221 PolarHBondContact O-N 2.78Å; C217-T221 VanDerWaalsContact O-N 3.14Å; C217-T221 PolarHBondContact O-OG1 2.83Å; Q218-T221 WeakPolarHBondContact O-CB 3.28Å; Q218-T221 PolarHBondContact O-N 2.79Å; T219-T221 VanDerWaalsContact C-N 3.31Å; T219-T221 PolarHBondContact O-N 3.3Å; T221-G223 VanDerWaalsContact C-N 3.29Å; T221-G223 PolarHBondContact O-N 2.92Å; T221-F224 PolarHBondContact O-N 3.29Å; T221-L499 HydrophobicContact CG2-CD1 4.21Å; T221-L499 HydrophobicContact CG2-CD2 3.87Å; T221-L499 HydrophobicContact CG2-CG 4.32Å; T221-M503 HydrophobicContact CG2-CE 4.17Å; T221-M503 HydrophobicContact CG2-SD 3.67Å; T221-M503 WeakPolarHBondContact OG1-CE 3.33Å; T221-I518 HydrophobicContact CG2-CG1 4.23Å; T221-I521 HydrophobicContact CG2-CD1 4.02Å
222	L	98.8	Very high	96.5	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-64.4	-35.7	172.1	-179.5	62.9	0	0	0	112	Q218 T219 P220 F224 C225 V226 I521 Y526 V527 V545	Q218-L222 PolarHBondContact O-N 2.82Å; T219-L222 PolarHBondContact O-N 3.02Å; P220-L222 PolarHBondContact O-N 2.73Å; L222-F224 VanDerWaalsContact C-N 3.3Å; L222-F224 PolarHBondContact O-N 3.02Å; L222-C225 WeakPolarHBondContact O-CB 3.28Å; L222-C225 PolarHBondContact O-N 3.22Å; L222-V226 HydrophobicContact CD1-CG2 4.32Å; L222-V226 HydrophobicContact CG-CG2 4.28Å; L222-V226 PolarHBondContact O-N 3.5Å; L222-I521 HydrophobicContact CB-CG2 4.05Å; L222-Y526 HydrophobicContact CD2-CD2 3.73Å; L222-Y526 HydrophobicContact CD2-CG 3.98Å; L222-V527 HydrophobicContact CD1-CG1 3.67Å; L222-V545 HydrophobicContact CB-CG2 4.24Å; L222-V545 HydrophobicContact CD2-CG2 3.68Å; L222-V545 HydrophobicContact CG-CG2 3.61Å
223	G	98.6	Very high	96.5	Very high	6 Å²	6	25.4 Å²	25.4	6%	0.062	12%	0.123	C	C	.	.	H	α-helix	trans	-51.7	-45.4	176.5	0	0	0	0	0	112.8	T219 P220 T221 C225 V226 E227	T219-G223 PolarHBondContact O-N 3.29Å; P220-G223 WeakPolarHBondContact O-CA 3.04Å; P220-G223 PolarHBondContact O-N 3.3Å; P220-G223 VanDerWaalsContact O-N 3.07Å; T221-G223 VanDerWaalsContact C-N 3.29Å; T221-G223 PolarHBondContact O-N 2.92Å; G223-C225 VanDerWaalsContact C-N 3.34Å; G223-C225 PolarHBondContact O-N 2.94Å; G223-V226 PolarHBondContact O-N 3.42Å; G223-E227 WeakPolarHBondContact O-CB 3.23Å; G223-E227 PolarHBondContact O-N 3.27Å
224	F	98.8	Very high	96.1	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.035	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-41.3	175.9	-67.5	-52.4	0	0	0	113.1	P220 T221 L222 R228 L494 L499 L502 M503 H506 I508 P558	P220-F224 PolarHBondContact O-N 2.83Å; T221-F224 PolarHBondContact O-N 3.29Å; L222-F224 VanDerWaalsContact C-N 3.3Å; L222-F224 PolarHBondContact O-N 3.02Å; F224-R228 PolarHBondContact O-N 2.93Å; F224-L494 HydrophobicContact CB-CD1 3.91Å; F224-L494 WeakPolarHBondContact O-CD1 3.44Å; F224-L499 HydrophobicContact CB-CD1 3.74Å; F224-L499 HydrophobicContact CD2-CD1 3.84Å; F224-L499 HydrophobicContact CG-CD1 4.23Å; F224-L502 HydrophobicContact CB-CD1 4.09Å; F224-L502 HydrophobicContact CD1-CB 4.33Å; F224-L502 HydrophobicContact CD1-CD1 4.19Å; F224-L502 HydrophobicContact CD2-CB 4.17Å; F224-L502 HydrophobicContact CE1-CB 4.38Å; F224-L502 HydrophobicContact CE2-CB 4.2Å; F224-L502 HydrophobicContact CG-CB 4.23Å; F224-L502 HydrophobicContact CG-CD1 4.16Å; F224-L502 HydrophobicContact CZ-CB 4.31Å; F224-M503 HydrophobicContact CD2-CG 4.49Å; F224-M503 HydrophobicContact CE2-CG 4.3Å; F224-H506 AromaticContact CE1-CD2 3.72Å; F224-H506 HydrophobicContact CZ-CB 3.97Å; F224-H506 AromaticContact CZ-CD2 3.57Å; F224-H506 AromaticContact CZ-CG 3.8Å; F224-I508 HydrophobicContact CE2-CD1 3.92Å; F224-P558 HydrophobicContact CE1-CG 4.21Å; F224-P558 HydrophobicContact CZ-CB 4.05Å; F224-P558 HydrophobicContact CZ-CG 3.81Å
225	C	98.8	Very high	95.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-42.5	178.3	-62.2	0	0	0	0	111.7	L222 G223 R228 H229 V527 P537	L222-C225 WeakPolarHBondContact O-CB 3.28Å; L222-C225 PolarHBondContact O-N 3.22Å; G223-C225 VanDerWaalsContact C-N 3.34Å; G223-C225 PolarHBondContact O-N 2.94Å; C225-R228 PolarHBondContact O-N 2.83Å; C225-H229 PolarHBondContact O-N 2.92Å; C225-V527 HydrophobicContact CB-CG1 4.09Å; C225-P537 HydrophobicContact CB-CG 3.94Å; C225-P537 WeakPolarHBondContact O-CG 3.5Å
226	V	98.5	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-38.8	178.1	177.2	0	0	0	0	111.3	L222 G223 R228 H229 D230 P537 I542 V545	L222-V226 HydrophobicContact CD1-CG2 4.32Å; L222-V226 HydrophobicContact CG-CG2 4.28Å; L222-V226 PolarHBondContact O-N 3.5Å; G223-V226 PolarHBondContact O-N 3.42Å; V226-R228 VanDerWaalsContact C-N 3.29Å; V226-R228 PolarHBondContact O-N 3.43Å; V226-H229 CarbonylContact O-C 3.48Å; V226-H229 WeakPolarHBondContact O-CA 3.42Å; V226-H229 VanDerWaalsContact O-CB 3.3Å; V226-H229 WeakPolarHBondContact O-CB 3.46Å; V226-H229 PolarHBondContact O-N 2.96Å; V226-D230 PolarHBondContact O-N 2.85Å; V226-P537 HydrophobicContact CG2-CB 3.97Å; V226-P537 HydrophobicContact CG2-CG 4.03Å; V226-I542 HydrophobicContact CG1-CG2 4.49Å; V226-I542 HydrophobicContact CG2-CG1 4.39Å; V226-V545 HydrophobicContact CB-CB 3.99Å; V226-V545 HydrophobicContact CB-CG1 3.85Å; V226-V545 HydrophobicContact CB-CG2 4.15Å; V226-V545 HydrophobicContact CG1-CB 3.96Å; V226-V545 HydrophobicContact CG1-CG1 3.8Å; V226-V545 HydrophobicContact CG2-CB 3.89Å; V226-V545 HydrophobicContact CG2-CG1 4.31Å; V226-V545 HydrophobicContact CG2-CG2 3.73Å
227	E	98.4	Very high	95.5	Very high	91 Å²	91	43 Å²	43	43%	0.425	21%	0.214	S	C	.	.	H	α-helix	trans	-58.3	-42.5	173.3	-172.3	-164	164.8	0	0	111.2	G223 D230 K231	G223-E227 WeakPolarHBondContact O-CB 3.23Å; G223-E227 PolarHBondContact O-N 3.27Å; E227-D230 PolarHBondContact O-N 3.3Å; E227-K231 WeakPolarHBondContact O-CG 3.37Å; E227-K231 PolarHBondContact O-N 2.89Å; E227-K231 VanDerWaalsContact OE1-CE 3.28Å; E227-K231 WeakPolarHBondContact OE1-CE 3.25Å; E227-K231 IonicContact OE1-NZ 3.33Å; E227-K231 PolarHBondContact OE1-NZ 3.34Å
228	R	98.1	Very high	95.4	Very high	48 Å²	48	48.4 Å²	48.4	18%	0.181	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-41.4	173.5	-179.2	62.7	69.9	81.4	-2.5	111.5	F224 C225 V226 D230 K231 I232 H492 L494 E498	F224-R228 PolarHBondContact O-N 2.93Å; C225-R228 PolarHBondContact O-N 2.83Å; V226-R228 VanDerWaalsContact C-N 3.29Å; V226-R228 PolarHBondContact O-N 3.43Å; R228-D230 PolarHBondContact O-N 3.04Å; R228-K231 PolarHBondContact O-N 2.79Å; R228-I232 HydrophobicContact CG-CD1 4.11Å; R228-I232 VanDerWaalsContact O-CG1 3.23Å; R228-I232 WeakPolarHBondContact O-CG1 3.42Å; R228-I232 PolarHBondContact O-N 3.42Å; R228-I232 VanDerWaalsContact O-N 3.07Å; R228-H492 VanDerWaalsContact CD-O 3.23Å; R228-H492 WeakPolarHBondContact CD-O 3.27Å; R228-H492 WeakPolarHBondContact CG-O 3.35Å; R228-H492 PolarHBondContact NH1-O 3.42Å; R228-L494 HydrophobicContact CB-CD1 4.29Å; R228-L494 HydrophobicContact CB-CG 3.85Å; R228-L494 HydrophobicContact CG-CD2 4.48Å; R228-L494 HydrophobicContact CG-CG 4.03Å; R228-E498 IonicContact CZ-OE1 3.35Å; R228-E498 IonicContact NH1-OE1 3.55Å; R228-E498 PolarHBondContact NH1-OE1 2.9Å; R228-E498 IonicContact NH1-OE2 2.78Å; R228-E498 IonicContact NH2-OE1 2.99Å; R228-E498 PolarHBondContact NH2-OE1 3.19Å; R228-E498 VanDerWaalsContact NH2-OE1 3.09Å
229	H	96.9	Very high	95.5	Very high	26 Å²	26	50.2 Å²	50.2	12%	0.12	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-47.2	174.7	171.4	80.4	0	0	0	111.7	C225 V226 K231 I232 Q233 Y493 P537	C225-H229 PolarHBondContact O-N 2.92Å; V226-H229 CarbonylContact O-C 3.48Å; V226-H229 WeakPolarHBondContact O-CA 3.42Å; V226-H229 VanDerWaalsContact O-CB 3.3Å; V226-H229 WeakPolarHBondContact O-CB 3.46Å; V226-H229 PolarHBondContact O-N 2.96Å; H229-K231 VanDerWaalsContact C-N 3.34Å; H229-K231 PolarHBondContact O-N 2.88Å; H229-I232 WeakPolarHBondContact O-CA 3.46Å; H229-I232 WeakPolarHBondContact O-CB 3.44Å; H229-I232 PolarHBondContact O-N 2.89Å; H229-Q233 WeakPolarHBondContact NE2-CG 3.44Å; H229-Q233 WeakPolarHBondContact O-CG 3.04Å; H229-Q233 PolarHBondContact O-N 3.39Å; H229-Y493 HydrophobicContact CB-CE1 3.89Å; H229-Y493 AromaticContact ND1-CE1 3.6Å; H229-Y493 AromaticContact ND1-CZ 3.91Å; H229-Y493 PolarHBondContact ND1-OH 3.27Å; H229-P537 HydrophobicContact CB-CG 3.97Å
230	D	92	Very high	95.5	Very high	56 Å²	56	51.4 Å²	51.4	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-39.5	-179.4	-65	-22.2	0	0	0	111.8	V226 E227 R228 I232 Q233 S234 H546	V226-D230 PolarHBondContact O-N 2.85Å; E227-D230 PolarHBondContact O-N 3.3Å; R228-D230 PolarHBondContact O-N 3.04Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 PolarHBondContact O-N 2.94Å; D230-Q233 PolarHBondContact O-N 3.39Å; D230-S234 WeakPolarHBondContact O-CB 3.27Å; D230-S234 PolarHBondContact O-N 3.23Å; D230-S234 PolarHBondContact O-OG 3.23Å; D230-H546 VanDerWaalsContact CG-NE2 3.28Å; D230-H546 IonicContact OD1-CE1 2.8Å; D230-H546 PolarHBondContact OD1-CE1 3.43Å; D230-H546 VanDerWaalsContact OD1-CE1 3.3Å; D230-H546 IonicContact OD1-NE2 3.47Å; D230-H546 PolarHBondContact OD1-NE2 3.34Å; D230-H546 IonicContact OD2-CD2 2.93Å; D230-H546 IonicContact OD2-CE1 2.62Å; D230-H546 IonicContact OD2-NE2 3.66Å; D230-H546 PolarHBondContact OD2-NE2 3.31Å
231	K	92.9	Very high	95.5	Very high	102 Å²	102	52.6 Å²	52.6	44%	0.443	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-35	172.2	-73.5	173.6	-174.7	169.3	0	112.3	E227 R228 H229 F235	E227-K231 WeakPolarHBondContact O-CG 3.37Å; E227-K231 PolarHBondContact O-N 2.89Å; E227-K231 VanDerWaalsContact OE1-CE 3.28Å; E227-K231 WeakPolarHBondContact OE1-CE 3.25Å; E227-K231 IonicContact OE1-NZ 3.33Å; E227-K231 PolarHBondContact OE1-NZ 3.34Å; R228-K231 PolarHBondContact O-N 2.79Å; H229-K231 VanDerWaalsContact C-N 3.34Å; H229-K231 PolarHBondContact O-N 2.88Å; K231-F235 WeakPolarHBondContact O-CB 3.34Å; K231-F235 PolarHBondContact O-N 3.36Å
232	I	91.8	Very high	95.4	Very high	28 Å²	28	53.5 Å²	53.5	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-71.3	-45.9	176.1	-65.6	167.3	0	0	0	110.6	R228 H229 D230 F235 P490 P491 Y493	R228-I232 HydrophobicContact CG-CD1 4.11Å; R228-I232 VanDerWaalsContact O-CG1 3.23Å; R228-I232 WeakPolarHBondContact O-CG1 3.42Å; R228-I232 PolarHBondContact O-N 3.42Å; R228-I232 VanDerWaalsContact O-N 3.07Å; H229-I232 WeakPolarHBondContact O-CA 3.46Å; H229-I232 WeakPolarHBondContact O-CB 3.44Å; H229-I232 PolarHBondContact O-N 2.89Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 PolarHBondContact O-N 2.94Å; I232-F235 PolarHBondContact O-N 2.92Å; I232-P490 HydrophobicContact CG2-CB 4.44Å; I232-P491 WeakPolarHBondContact CD1-O 3.36Å; I232-P491 HydrophobicContact CG1-CG 3.94Å; I232-P491 VanDerWaalsContact CG1-O 3.25Å; I232-P491 WeakPolarHBondContact CG1-O 3.43Å; I232-Y493 HydrophobicContact CD1-CD1 3.76Å; I232-Y493 HydrophobicContact CD1-CD2 4.35Å; I232-Y493 HydrophobicContact CD1-CE1 3.89Å; I232-Y493 HydrophobicContact CD1-CE2 4.46Å; I232-Y493 HydrophobicContact CD1-CG 3.99Å
233	Q	89.4	Confident	95.3	Very high	123 Å²	123	53.4 Å²	53.4	58%	0.575	26%	0.264	S	S	*	.	H	α-helix	trans	-68.4	-34.9	-177.2	-65.2	-51.9	-64.7	0	0	112.9	H229 D230	H229-Q233 WeakPolarHBondContact NE2-CG 3.44Å; H229-Q233 WeakPolarHBondContact O-CG 3.04Å; H229-Q233 PolarHBondContact O-N 3.39Å; D230-Q233 PolarHBondContact O-N 3.39Å
234	S	87.9	Confident	95.1	Very high	86 Å²	86	55 Å²	55	60%	0.601	27%	0.27	S	S	*	.	H	α-helix	trans	-86.7	-8.2	-179.8	59.3	0	0	0	0	114	D230 K236	D230-S234 WeakPolarHBondContact O-CB 3.27Å; D230-S234 PolarHBondContact O-N 3.23Å; D230-S234 PolarHBondContact O-OG 3.23Å; S234-K236 PolarHBondContact O-N 3.32Å
235	F	89.8	Confident	94.9	Very high	65 Å²	65	54.7 Å²	54.7	29%	0.285	27%	0.268	S	S	.	.			trans	-64.7	127.7	-179.9	-174.1	-97.5	0	0	0	111.1	K231 I232 P237 T488 S489 P490	K231-F235 WeakPolarHBondContact O-CB 3.34Å; K231-F235 PolarHBondContact O-N 3.36Å; I232-F235 PolarHBondContact O-N 2.92Å; F235-P237 HydrophobicContact CD1-CG 3.92Å; F235-P237 HydrophobicContact CE1-CB 4.05Å; F235-P237 HydrophobicContact CE1-CG 3.87Å; F235-T488 WeakPolarHBondContact CE1-O 3.48Å; F235-T488 WeakPolarHBondContact CZ-OG1 3.47Å; F235-S489 VanDerWaalsContact CE1-C 3.45Å; F235-S489 WeakPolarHBondContact CZ-O 3.49Å; F235-P490 HydrophobicContact CB-CB 3.94Å; F235-P490 HydrophobicContact CD1-CB 3.58Å; F235-P490 HydrophobicContact CD1-CG 4.24Å; F235-P490 HydrophobicContact CE1-CB 4.18Å; F235-P490 VanDerWaalsContact CE1-N 3.29Å; F235-P490 HydrophobicContact CG-CB 3.77Å
236	K	91.8	Very high	94.8	Very high	176 Å²	176	57.9 Å²	57.9	77%	0.765	28%	0.282	S	S	*	.			trans	-108.1	109.4	173.1	-67.3	-177.5	-178.2	177.4	0	108.2	S234 E238	S234-K236 PolarHBondContact O-N 3.32Å; K236-E238 PolarHBondContact O-N 2.87Å
237	P	95.5	Very high	94.6	Very high	63 Å²	63	57.9 Å²	57.9	41%	0.409	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-61.1	128.7	178.2	-24.2	34.4	0	0	0	111.7	F235 Q487	F235-P237 HydrophobicContact CD1-CG 3.92Å; F235-P237 HydrophobicContact CE1-CB 4.05Å; F235-P237 HydrophobicContact CE1-CG 3.87Å; P237-Q487 VanDerWaalsContact CB-CD 3.43Å; P237-Q487 HydrophobicContact CB-CG 3.63Å
238	E	94.8	Very high	94.3	Very high	115 Å²	115	56.2 Å²	56.2	54%	0.537	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-103.5	133.6	174.4	-67.8	179.6	179	0	0	109.7	K236 F265 Q487 T488	K236-E238 PolarHBondContact O-N 2.87Å; E238-F265 HydrophobicContact CB-CD1 4.11Å; E238-F265 HydrophobicContact CB-CE1 3.99Å; E238-Q487 WeakPolarHBondContact O-CA 3.34Å; E238-T488 HydrophobicContact CB-CG2 4.46Å; E238-T488 PolarHBondContact N-OG1 3.37Å; E238-T488 PolarHBondContact O-N 2.82Å; E238-T488 PolarHBondContact O-OG1 2.91Å
239	T	97.6	Very high	93.7	Very high	48 Å²	48	57.1 Å²	57.1	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.6	172.9	-57	0	0	0	0	109	W241 F265 E485 R486	T239-W241 HydrophobicContact CG2-CH2 3.62Å; T239-W241 HydrophobicContact CG2-CZ2 3.45Å; T239-W241 VanDerWaalsContact CG2-CZ2 3.45Å; T239-W241 HydrophobicContact CG2-CZ3 4.2Å; T239-F265 WeakPolarHBondContact O-CD1 3.15Å; T239-E485 HydrophobicContact CG2-CG 3.52Å; T239-R486 WeakPolarHBondContact CA-O 3.24Å
240	Y	97.8	Very high	93	Very high	30 Å²	30	58.9 Å²	58.9	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.7	173.8	69	-89.8	0	0	0	110.1	V242 R263 V264 R486 Q487 T488	Y240-V242 HydrophobicContact CD2-CG2 3.81Å; Y240-V242 HydrophobicContact CE2-CG2 3.58Å; Y240-R263 HydrophobicContact CD2-CB 3.72Å; Y240-R263 HydrophobicContact CD2-CG 4.36Å; Y240-R263 HydrophobicContact CE2-CB 4.34Å; Y240-R263 HydrophobicContact CG-CB 4.49Å; Y240-V264 CarbonylContact C-O 3.54Å; Y240-V264 VanDerWaalsContact CA-O 3.29Å; Y240-V264 WeakPolarHBondContact CA-O 3.35Å; Y240-V264 WeakPolarHBondContact CB-O 3.39Å; Y240-R486 HydrophobicContact CD1-CB 4.29Å; Y240-R486 HydrophobicContact CD2-CB 4.11Å; Y240-R486 HydrophobicContact CE1-CB 3.76Å; Y240-R486 HydrophobicContact CE2-CB 3.57Å; Y240-R486 HydrophobicContact CE2-CG 4.24Å; Y240-R486 HydrophobicContact CG-CB 4.45Å; Y240-R486 PolarHBondContact N-O 3.29Å; Y240-R486 PolarHBondContact O-N 3.32Å; Y240-R486 WeakPolarHBondContact OH-CD 3.46Å; Y240-Q487 VanDerWaalsContact CE1-C 3.42Å; Y240-T488 HydrophobicContact CD1-CG2 3.79Å; Y240-T488 HydrophobicContact CE1-CG2 3.99Å
241	W	98.1	Very high	92	Very high	28 Å²	28	66.5 Å²	66.5	11%	0.106	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.2	-179.4	-63.3	-90.8	0	0	0	110.3	T239 R263 V264 F265 R267 L483 V484 E485	T239-W241 HydrophobicContact CG2-CH2 3.62Å; T239-W241 HydrophobicContact CG2-CZ2 3.45Å; T239-W241 VanDerWaalsContact CG2-CZ2 3.45Å; T239-W241 HydrophobicContact CG2-CZ3 4.2Å; W241-R263 WeakPolarHBondContact O-CA 3.36Å; W241-V264 HydrophobicContact CB-CG2 4.16Å; W241-V264 PolarHBondContact N-O 3.34Å; W241-V264 PolarHBondContact O-N 3.42Å; W241-F265 WeakPolarHBondContact CZ3-O 3.42Å; W241-R267 HydrophobicContact CD2-CB 4.23Å; W241-R267 HydrophobicContact CE3-CB 4.33Å; W241-R267 HydrophobicContact CH2-CB 3.74Å; W241-R267 HydrophobicContact CZ2-CB 3.6Å; W241-R267 HydrophobicContact CZ2-CG 3.95Å; W241-R267 HydrophobicContact CZ3-CB 4.11Å; W241-L483 HydrophobicContact CB-CD1 3.69Å; W241-L483 HydrophobicContact CB-CD2 4.09Å; W241-L483 HydrophobicContact CB-CG 3.78Å; W241-L483 HydrophobicContact CG-CD1 4.47Å; W241-L483 HydrophobicContact CG-CD2 4.01Å; W241-L483 HydrophobicContact CG-CG 4.07Å; W241-V484 WeakPolarHBondContact CA-O 3.5Å; W241-E485 PolarHBondContact NE1-OE2 3.48Å
242	V	97.4	Very high	91.3	Very high	20 Å²	20	66 Å²	66	12%	0.121	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.3	175.7	-179.3	0	0	0	0	107.6	Y240 Q244 V262 R263 V484	Y240-V242 HydrophobicContact CD2-CG2 3.81Å; Y240-V242 HydrophobicContact CE2-CG2 3.58Å; V242-Q244 HydrophobicContact CG1-CG 4.19Å; V242-Q244 PolarHBondContact O-N 2.95Å; V242-V262 WeakPolarHBondContact CG1-O 3.47Å; V242-R263 HydrophobicContact CG2-CB 4.16Å; V242-V484 PolarHBondContact N-O 3.2Å; V242-V484 PolarHBondContact O-N 3.07Å
243	L	96.4	Very high	90.9	Very high	1 Å²	1	69 Å²	69	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123	169.5	-169.6	59.1	0	0	0	108.4	W259 F273 V274 A277 F440 I481	L243-W259 HydrophobicContact CB-CB 4.26Å; L243-W259 HydrophobicContact CB-CD2 3.65Å; L243-W259 HydrophobicContact CB-CE3 3.73Å; L243-W259 HydrophobicContact CB-CG 3.95Å; L243-W259 HydrophobicContact CB-CH2 4.49Å; L243-W259 HydrophobicContact CB-CZ2 4.44Å; L243-W259 HydrophobicContact CB-CZ3 4.17Å; L243-W259 HydrophobicContact CD2-CD2 4.41Å; L243-W259 HydrophobicContact CD2-CZ2 4.36Å; L243-W259 VanDerWaalsContact O-CB 3.32Å; L243-W259 WeakPolarHBondContact O-CB 3.3Å; L243-F273 HydrophobicContact CD2-CB 4.19Å; L243-V274 HydrophobicContact CD1-CB 4.23Å; L243-V274 HydrophobicContact CD1-CG2 3.45Å; L243-V274 VanDerWaalsContact CD1-CG2 3.45Å; L243-A277 HydrophobicContact CD2-CB 4.49Å; L243-F440 HydrophobicContact CB-CE1 4.49Å; L243-F440 HydrophobicContact CD2-CE1 4.18Å; L243-F440 HydrophobicContact CD2-CZ 3.56Å; L243-F440 HydrophobicContact CG-CE1 4.02Å; L243-F440 HydrophobicContact CG-CZ 3.82Å; L243-I481 HydrophobicContact CD1-CG2 3.66Å; L243-I481 HydrophobicContact CG-CG2 4.44Å
244	Q	93.9	Very high	90.9	Very high	41 Å²	41	66 Å²	66	19%	0.192	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.2	174.6	-69.4	-168.5	-23.4	0	0	109.4	V242 I481 K482 V484	V242-Q244 HydrophobicContact CG1-CG 4.19Å; V242-Q244 PolarHBondContact O-N 2.95Å; Q244-I481 WeakPolarHBondContact O-CA 3.39Å; Q244-K482 HydrophobicContact CB-CG 4.3Å; Q244-K482 PolarHBondContact N-O 2.96Å; Q244-K482 PolarHBondContact O-N 2.93Å; Q244-V484 HydrophobicContact CB-CG2 4.24Å; Q244-V484 HydrophobicContact CG-CG2 3.92Å
245	A	95.9	Very high	91	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.6	174.8	0	0	0	0	0	110	L257 I435 F440 E480 I481	A245-L257 HydrophobicContact CB-CB 4.44Å; A245-L257 HydrophobicContact CB-CD1 4.41Å; A245-L257 PolarHBondContact O-N 3.49Å; A245-I435 HydrophobicContact CB-CD1 3.71Å; A245-F440 HydrophobicContact CB-CD1 4.1Å; A245-F440 HydrophobicContact CB-CE1 3.83Å; A245-F440 HydrophobicContact CB-CZ 4.11Å; A245-E480 CarbonylContact C-O 3.46Å; A245-E480 VanDerWaalsContact CA-O 3.3Å; A245-E480 WeakPolarHBondContact CA-O 3.34Å; A245-I481 HydrophobicContact CB-CG1 4.33Å
246	K	95.3	Very high	91.2	Very high	68 Å²	68	63.9 Å²	63.9	30%	0.296	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.1	167.7	-70	-177.6	178.2	176.1	0	110	L255 E479 E480	K246-L255 CarbonylContact C-O 3.54Å; K246-L255 VanDerWaalsContact CA-O 3.26Å; K246-L255 WeakPolarHBondContact CA-O 3.46Å; K246-E479 HydrophobicContact CB-CB 4.31Å; K246-E479 PolarHBondContact O-N 3.36Å; K246-E480 HydrophobicContact CB-CB 4.22Å; K246-E480 HydrophobicContact CD-CB 4.47Å; K246-E480 PolarHBondContact N-O 3.08Å; K246-E480 IonicContact NZ-OE2 2.67Å; K246-E480 PolarHBondContact O-N 2.71Å
247	V	94.6	Very high	91.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.7	-177.4	-56.1	0	0	0	0	110.3	P254 L255 L257 A283 F433 I435 F476 T477 V478	V247-P254 CarbonylContact O-C 3.12Å; V247-P254 WeakPolarHBondContact O-CA 3.12Å; V247-L255 HydrophobicContact CG2-CB 4.06Å; V247-L255 PolarHBondContact N-O 3Å; V247-L255 PolarHBondContact O-N 3.15Å; V247-L257 HydrophobicContact CB-CD1 4.46Å; V247-L257 HydrophobicContact CG1-CD1 3.68Å; V247-L257 HydrophobicContact CG1-CG 4.31Å; V247-L257 HydrophobicContact CG2-CD1 3.87Å; V247-L257 HydrophobicContact CG2-CD2 3.87Å; V247-L257 HydrophobicContact CG2-CG 3.96Å; V247-A283 HydrophobicContact CB-CB 4.44Å; V247-A283 HydrophobicContact CG1-CB 3.7Å; V247-F433 HydrophobicContact CG2-CE1 4.41Å; V247-I435 HydrophobicContact CG1-CD1 4.12Å; V247-F476 HydrophobicContact CB-CB 4.01Å; V247-F476 HydrophobicContact CG2-CB 4.24Å; V247-F476 HydrophobicContact CG2-CD1 4.1Å; V247-F476 HydrophobicContact CG2-CG 4.47Å; V247-T477 CarbonylContact C-O 3.59Å; V247-T477 VanDerWaalsContact CA-O 3.27Å; V247-T477 WeakPolarHBondContact CA-O 3.39Å; V247-V478 HydrophobicContact CG1-CG2 4.34Å
248	F	92	Very high	91.4	Very high	57 Å²	57	57.5 Å²	57.5	25%	0.25	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.3	176.1	67.8	-82.9	0	0	0	111.2	G250 T477 E479	F248-G250 WeakPolarHBondContact CD2-O 3.3Å; F248-T477 WeakPolarHBondContact CD1-O 3.06Å; F248-T477 HydrophobicContact CE1-CG2 3.66Å; F248-T477 HydrophobicContact CE2-CG2 4.46Å; F248-T477 HydrophobicContact CZ-CG2 3.59Å; F248-T477 PolarHBondContact N-O 3.37Å; F248-T477 PolarHBondContact O-N 2.98Å; F248-E479 HydrophobicContact CD1-CB 3.88Å; F248-E479 HydrophobicContact CE1-CB 4Å
249	K	86.8	Confident	91.5	Very high	67 Å²	67	52.4 Å²	52.4	29%	0.291	28%	0.281	S	S	.	.			trans	-120.2	113.9	174.2	-169.7	171.5	-179.9	-178.5	0	107.9	K251 D252 A469 D474 F476	K249-K251 PolarHBondContact O-N 3.32Å; K249-D252 WeakPolarHBondContact O-CB 3.32Å; K249-D252 PolarHBondContact O-N 3.33Å; K249-A469 PolarHBondContact NZ-O 3.31Å; K249-D474 IonicContact NZ-OD2 3.68Å; K249-D474 PolarHBondContact NZ-OD2 3.08Å; K249-F476 HydrophobicContact CB-CD1 3.67Å; K249-F476 HydrophobicContact CB-CE1 3.53Å; K249-F476 HydrophobicContact CB-CG 4.23Å; K249-F476 HydrophobicContact CB-CZ 3.99Å; K249-F476 HydrophobicContact CD-CD2 4.42Å; K249-F476 HydrophobicContact CD-CE1 4.11Å; K249-F476 HydrophobicContact CD-CE2 3.82Å; K249-F476 HydrophobicContact CD-CZ 3.64Å; K249-F476 HydrophobicContact CG-CE1 4.41Å; K249-F476 HydrophobicContact CG-CZ 4.4Å
250	G	81.4	Confident	91.4	Very high	62 Å²	62	53.8 Å²	53.8	64%	0.639	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-119.7	179	0	0	0	0	0	114.2	F248	F248-G250 WeakPolarHBondContact CD2-O 3.3Å
251	K	71.8	Confident	91.3	Very high	216 Å²	216	59 Å²	59	94%	0.939	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	9.7	179.5	-67.7	-173	179.3	-179.4	0	113.2	K249	K249-K251 PolarHBondContact O-N 3.32Å
252	D	78.2	Confident	91.2	Very high	93 Å²	93	61.8 Å²	61.8	50%	0.497	33%	0.326	S	S	.	.	S	Bend	trans	-72.1	161.5	-177.9	-63.1	-17.2	0	0	0	111.5	K249	K249-D252 WeakPolarHBondContact O-CB 3.32Å; K249-D252 PolarHBondContact O-N 3.33Å
253	T	82.8	Confident	91.2	Very high	90 Å²	90	66.1 Å²	66.1	55%	0.552	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-62.1	138.9	174.5	38.3	0	0	0	0	110.9	L255	T253-L255 PolarHBondContact O-N 2.82Å
254	P	88.4	Confident	91.2	Very high	61 Å²	61	67.1 Å²	67.1	40%	0.396	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-63.3	128.5	178.6	-22.4	32.2	0	0	0	112.5	V247 E479	V247-P254 CarbonylContact O-C 3.12Å; V247-P254 WeakPolarHBondContact O-CA 3.12Å; P254-E479 VanDerWaalsContact CB-OE2 3.22Å; P254-E479 WeakPolarHBondContact CB-OE2 3.34Å; P254-E479 VanDerWaalsContact CG-OE2 3.31Å; P254-E479 WeakPolarHBondContact CG-OE2 3.4Å
255	L	91.4	Very high	91.4	Very high	31 Å²	31	70.1 Å²	70.1	16%	0.162	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.1	171.5	-62.9	178.7	0	0	0	110.2	K246 V247 T253 L257 F433 P468 F476	K246-L255 CarbonylContact C-O 3.54Å; K246-L255 VanDerWaalsContact CA-O 3.26Å; K246-L255 WeakPolarHBondContact CA-O 3.46Å; V247-L255 HydrophobicContact CG2-CB 4.06Å; V247-L255 PolarHBondContact N-O 3Å; V247-L255 PolarHBondContact O-N 3.15Å; T253-L255 PolarHBondContact O-N 2.82Å; L255-L257 HydrophobicContact CB-CD2 4.33Å; L255-F433 HydrophobicContact CD1-CZ 4.49Å; L255-P468 HydrophobicContact CD1-CG 3.38Å; L255-P468 HydrophobicContact CD2-CG 4.23Å; L255-P468 HydrophobicContact CG-CG 4.18Å; L255-F476 HydrophobicContact CD1-CE1 4.09Å
256	T	93.5	Very high	91.4	Very high	74 Å²	74	73.8 Å²	73.8	45%	0.454	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.6	167.8	-57.9	0	0	0	0	109.2
257	L	95.2	Very high	91.5	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.8	179.9	-48.5	-176.9	0	0	0	111.4	A245 V247 L255 F433 I435 F440 C442	A245-L257 HydrophobicContact CB-CB 4.44Å; A245-L257 HydrophobicContact CB-CD1 4.41Å; A245-L257 PolarHBondContact O-N 3.49Å; V247-L257 HydrophobicContact CB-CD1 4.46Å; V247-L257 HydrophobicContact CG1-CD1 3.68Å; V247-L257 HydrophobicContact CG1-CG 4.31Å; V247-L257 HydrophobicContact CG2-CD1 3.87Å; V247-L257 HydrophobicContact CG2-CD2 3.87Å; V247-L257 HydrophobicContact CG2-CG 3.96Å; L255-L257 HydrophobicContact CB-CD2 4.33Å; L257-F433 HydrophobicContact CD1-CB 3.93Å; L257-F433 HydrophobicContact CD1-CD2 3.88Å; L257-F433 HydrophobicContact CD1-CG 3.87Å; L257-F433 HydrophobicContact CD2-CD2 3.69Å; L257-F433 HydrophobicContact CD2-CE2 3.66Å; L257-F433 HydrophobicContact CD2-CG 4.46Å; L257-F433 HydrophobicContact CD2-CZ 4.39Å; L257-F433 HydrophobicContact CG-CD2 4.44Å; L257-I435 HydrophobicContact CD1-CD1 4.15Å; L257-F440 HydrophobicContact CB-CB 3.78Å; L257-F440 HydrophobicContact CB-CD1 4.13Å; L257-F440 HydrophobicContact CB-CG 4.28Å; L257-F440 HydrophobicContact CD1-CB 3.9Å; L257-F440 HydrophobicContact CD1-CG 4.41Å; L257-F440 HydrophobicContact CG-CB 4.5Å; L257-C442 HydrophobicContact CD2-CB 3.81Å
258	D	95.1	Very high	91.5	Very high	105 Å²	105	85.8 Å²	85.8	56%	0.561	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.5	172.3	-69.5	-48.4	0	0	0	109.9	F440 S441	D258-F440 CarbonylContact O-C 3.52Å; D258-F440 VanDerWaalsContact O-CA 3.24Å; D258-F440 WeakPolarHBondContact O-CA 3.21Å; D258-S441 PolarHBondContact N-O 3.46Å; D258-S441 PolarHBondContact O-N 2.92Å
259	W	97.1	Very high	91.7	Very high	8 Å²	8	85.8 Å²	85.8	3%	0.03	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.2	178.5	-177.4	41.4	0	0	0	111.3	L243 R261 V262 V264 F273 E438 F440	L243-W259 HydrophobicContact CB-CB 4.26Å; L243-W259 HydrophobicContact CB-CD2 3.65Å; L243-W259 HydrophobicContact CB-CE3 3.73Å; L243-W259 HydrophobicContact CB-CG 3.95Å; L243-W259 HydrophobicContact CB-CH2 4.49Å; L243-W259 HydrophobicContact CB-CZ2 4.44Å; L243-W259 HydrophobicContact CB-CZ3 4.17Å; L243-W259 HydrophobicContact CD2-CD2 4.41Å; L243-W259 HydrophobicContact CD2-CZ2 4.36Å; L243-W259 VanDerWaalsContact O-CB 3.32Å; L243-W259 WeakPolarHBondContact O-CB 3.3Å; W259-R261 HydrophobicContact CD2-CB 3.84Å; W259-R261 HydrophobicContact CD2-CG 4.39Å; W259-R261 HydrophobicContact CE3-CB 4.09Å; W259-R261 HydrophobicContact CG-CB 4.5Å; W259-R261 HydrophobicContact CH2-CB 4.07Å; W259-R261 HydrophobicContact CZ2-CB 3.8Å; W259-R261 VanDerWaalsContact CZ2-CD 3.46Å; W259-R261 HydrophobicContact CZ2-CG 3.89Å; W259-R261 HydrophobicContact CZ3-CB 4.2Å; W259-R261 PolarHBondContact O-N 3.43Å; W259-V262 WeakPolarHBondContact O-CA 3.36Å; W259-V262 PolarHBondContact O-N 3.05Å; W259-V264 HydrophobicContact CH2-CG1 3.62Å; W259-V264 HydrophobicContact CH2-CG2 4.28Å; W259-V264 HydrophobicContact CZ3-CG1 3.95Å; W259-V264 HydrophobicContact CZ3-CG2 4.27Å; W259-F273 HydrophobicContact CH2-CB 4.47Å; W259-F273 AromaticContact CH2-CD2 3.63Å; W259-F273 HydrophobicContact CH2-CD2 3.63Å; W259-F273 HydrophobicContact CH2-CE2 4.1Å; W259-F273 HydrophobicContact CH2-CG 4.21Å; W259-F273 HydrophobicContact CZ2-CB 4.05Å; W259-F273 HydrophobicContact CZ2-CD1 4.36Å; W259-F273 AromaticContact CZ2-CD2 3.62Å; W259-F273 HydrophobicContact CZ2-CD2 3.62Å; W259-F273 HydrophobicContact CZ2-CE2 4.09Å; W259-F273 AromaticContact CZ2-CG 3.77Å; W259-F273 HydrophobicContact CZ2-CG 3.77Å; W259-E438 PolarHBondContact NE1-OE2 2.98Å; W259-F440 HydrophobicContact CB-CD1 3.94Å; W259-F440 HydrophobicContact CB-CE1 3.82Å; W259-F440 AromaticContact CD1-CE1 3.88Å; W259-F440 HydrophobicContact CG-CD1 4.47Å; W259-F440 HydrophobicContact CG-CE1 4.1Å
260	N	96.1	Very high	92.2	Very high	78 Å²	78	82.6 Å²	82.6	42%	0.417	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23	-174.5	-75.6	4.7	0	0	0	113.4	V262 A439 S441	N260-V262 PolarHBondContact O-N 2.93Å; N260-A439 HydrophobicContact CB-CB 4.23Å; N260-A439 WeakPolarHBondContact CB-O 3.42Å; N260-A439 PolarHBondContact N-O 2.78Å; N260-S441 PolarHBondContact OD1-N 2.96Å; N260-S441 PolarHBondContact OD1-OG 3.47Å; N260-S441 VanDerWaalsContact OD1-OG 3.08Å
261	R	95.3	Very high	92.8	Very high	138 Å²	138	83.2 Å²	83.2	52%	0.521	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.6	172	-51.6	-170.7	-167.1	-98.6	3.3	113.2	W259 R263 E438	W259-R261 HydrophobicContact CD2-CB 3.84Å; W259-R261 HydrophobicContact CD2-CG 4.39Å; W259-R261 HydrophobicContact CE3-CB 4.09Å; W259-R261 HydrophobicContact CG-CB 4.5Å; W259-R261 HydrophobicContact CH2-CB 4.07Å; W259-R261 HydrophobicContact CZ2-CB 3.8Å; W259-R261 VanDerWaalsContact CZ2-CD 3.46Å; W259-R261 HydrophobicContact CZ2-CG 3.89Å; W259-R261 HydrophobicContact CZ3-CB 4.2Å; W259-R261 PolarHBondContact O-N 3.43Å; R261-R263 PolarHBondContact O-N 3.34Å; R261-E438 IonicContact CZ-OE1 2.76Å; R261-E438 IonicContact CZ-OE2 3.56Å; R261-E438 IonicContact NE-OE1 2.79Å; R261-E438 IonicContact NE-OE2 2.67Å; R261-E438 PolarHBondContact NE-OE2 3.29Å; R261-E438 IonicContact NH2-OE1 3.57Å; R261-E438 PolarHBondContact NH2-OE1 3.09Å; R261-E438 IonicContact NH2-OE2 3.67Å
262	V	96.9	Very high	94	Very high	87 Å²	87	77.2 Å²	77.2	53%	0.527	38%	0.382	S	S	.	.			trans	65.9	-60	179.8	-172.1	0	0	0	0	113.8	V242 W259 N260	V242-V262 WeakPolarHBondContact CG1-O 3.47Å; W259-V262 WeakPolarHBondContact O-CA 3.36Å; W259-V262 PolarHBondContact O-N 3.05Å; N260-V262 PolarHBondContact O-N 2.93Å
263	R	96.9	Very high	94.8	Very high	111 Å²	111	73.8 Å²	73.8	42%	0.419	36%	0.363	S	S	.	.			trans	-159.2	160.2	-177.5	71.3	-174.1	87.8	-178.9	7.7	112.5	Y240 W241 V242 R261 F265	Y240-R263 HydrophobicContact CD2-CB 3.72Å; Y240-R263 HydrophobicContact CD2-CG 4.36Å; Y240-R263 HydrophobicContact CE2-CB 4.34Å; Y240-R263 HydrophobicContact CG-CB 4.49Å; W241-R263 WeakPolarHBondContact O-CA 3.36Å; V242-R263 HydrophobicContact CG2-CB 4.16Å; R261-R263 PolarHBondContact O-N 3.34Å; R263-F265 HydrophobicContact CG-CE2 4.11Å
264	V	97.4	Very high	95.4	Very high	22 Å²	22	69.6 Å²	69.6	13%	0.133	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-129.9	152.4	167.3	-68.3	0	0	0	0	110.8	Y240 W241 W259 V269 F273	Y240-V264 CarbonylContact C-O 3.54Å; Y240-V264 VanDerWaalsContact CA-O 3.29Å; Y240-V264 WeakPolarHBondContact CA-O 3.35Å; Y240-V264 WeakPolarHBondContact CB-O 3.39Å; W241-V264 HydrophobicContact CB-CG2 4.16Å; W241-V264 PolarHBondContact N-O 3.34Å; W241-V264 PolarHBondContact O-N 3.42Å; W259-V264 HydrophobicContact CH2-CG1 3.62Å; W259-V264 HydrophobicContact CH2-CG2 4.28Å; W259-V264 HydrophobicContact CZ3-CG1 3.95Å; W259-V264 HydrophobicContact CZ3-CG2 4.27Å; V264-V269 HydrophobicContact CG1-CG1 4.43Å; V264-F273 HydrophobicContact CG1-CD2 4.49Å; V264-F273 HydrophobicContact CG1-CE2 4.2Å
265	F	97.2	Very high	95.6	Very high	105 Å²	105	70.9 Å²	70.9	46%	0.461	34%	0.341	S	S	.	.	S	Bend	trans	-105.2	8.2	179.7	-70.5	-93.7	0	0	0	113.1	E238 T239 W241 R263 T488	E238-F265 HydrophobicContact CB-CD1 4.11Å; E238-F265 HydrophobicContact CB-CE1 3.99Å; T239-F265 WeakPolarHBondContact O-CD1 3.15Å; W241-F265 WeakPolarHBondContact CZ3-O 3.42Å; R263-F265 HydrophobicContact CG-CE2 4.11Å; F265-T488 HydrophobicContact CE1-CG2 4.1Å; F265-T488 HydrophobicContact CZ-CG2 4.46Å
266	D	97	Very high	95.7	Very high	76 Å²	76	72.4 Å²	72.4	41%	0.406	35%	0.349	S	S	.	.			trans	-120.8	126	175.7	-176	-63.6	0	0	0	109.2	E268 V269 G270	D266-E268 WeakPolarHBondContact OD1-CA 3.33Å; D266-E268 WeakPolarHBondContact OD1-CB 3.3Å; D266-E268 PolarHBondContact OD1-N 2.87Å; D266-V269 HydrophobicContact CB-CB 3.96Å; D266-V269 HydrophobicContact CB-CG2 3.86Å; D266-V269 PolarHBondContact OD1-N 3.03Å; D266-G270 PolarHBondContact O-N 3.02Å
267	R	95.5	Very high	95.7	Very high	160 Å²	160	68.9 Å²	68.9	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-68.2	-40.5	-176.3	-173.5	178	171.7	-173.2	-2	112	W241 G270 Q271	W241-R267 HydrophobicContact CD2-CB 4.23Å; W241-R267 HydrophobicContact CE3-CB 4.33Å; W241-R267 HydrophobicContact CH2-CB 3.74Å; W241-R267 HydrophobicContact CZ2-CB 3.6Å; W241-R267 HydrophobicContact CZ2-CG 3.95Å; W241-R267 HydrophobicContact CZ3-CB 4.11Å; R267-G270 PolarHBondContact O-N 2.89Å; R267-Q271 WeakPolarHBondContact O-CB 3.27Å; R267-Q271 PolarHBondContact O-N 2.75Å
268	E	96.4	Very high	95.5	Very high	161 Å²	161	74.8 Å²	74.8	75%	0.752	35%	0.353	S	S	*	.	H	α-helix	trans	-69.4	-41.5	-177.2	-63.1	-177.7	178.9	0	0	110.1	D266 Q271 M272	D266-E268 WeakPolarHBondContact OD1-CA 3.33Å; D266-E268 WeakPolarHBondContact OD1-CB 3.3Å; D266-E268 PolarHBondContact OD1-N 2.87Å; E268-Q271 PolarHBondContact O-N 2.75Å; E268-M272 WeakPolarHBondContact O-CB 3.45Å; E268-M272 PolarHBondContact O-N 3.46Å
269	V	96.3	Very high	95.3	Very high	57 Å²	57	76.3 Å²	76.3	35%	0.345	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-43.8	171.6	176	0	0	0	0	110.9	V264 D266 Q271 M272 F273	V264-V269 HydrophobicContact CG1-CG1 4.43Å; D266-V269 HydrophobicContact CB-CB 3.96Å; D266-V269 HydrophobicContact CB-CG2 3.86Å; D266-V269 PolarHBondContact OD1-N 3.03Å; V269-Q271 VanDerWaalsContact C-N 3.35Å; V269-Q271 PolarHBondContact O-N 3.12Å; V269-M272 WeakPolarHBondContact O-CB 3.49Å; V269-M272 PolarHBondContact O-N 2.89Å; V269-F273 HydrophobicContact CG1-CD2 3.98Å; V269-F273 HydrophobicContact CG1-CE2 3.48Å; V269-F273 VanDerWaalsContact CG1-CE2 3.48Å; V269-F273 HydrophobicContact CG1-CZ 4.35Å; V269-F273 WeakPolarHBondContact O-CD2 3.36Å; V269-F273 PolarHBondContact O-N 3.3Å; V269-F273 VanDerWaalsContact O-N 3.12Å
270	G	95.3	Very high	95	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-44.7	174.1	0	0	0	0	0	112.5	D266 R267 F273 V274	D266-G270 PolarHBondContact O-N 3.02Å; R267-G270 PolarHBondContact O-N 2.89Å; G270-F273 PolarHBondContact O-N 3.38Å; G270-V274 VanDerWaalsContact O-CG2 3.3Å; G270-V274 WeakPolarHBondContact O-CG2 3.39Å; G270-V274 PolarHBondContact O-N 3.49Å; G270-V274 VanDerWaalsContact O-N 3.09Å
271	Q	95.5	Very high	94.8	Very high	75 Å²	75	82.2 Å²	82.2	35%	0.35	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-35.9	177.9	-171.3	59.9	57.9	0	0	112.2	R267 E268 V269 V274 N275	R267-Q271 WeakPolarHBondContact O-CB 3.27Å; R267-Q271 PolarHBondContact O-N 2.75Å; E268-Q271 PolarHBondContact O-N 2.75Å; V269-Q271 VanDerWaalsContact C-N 3.35Å; V269-Q271 PolarHBondContact O-N 3.12Å; Q271-V274 WeakPolarHBondContact O-CB 3.3Å; Q271-V274 PolarHBondContact O-N 3.12Å; Q271-N275 PolarHBondContact NE2-OD1 2.71Å; Q271-N275 PolarHBondContact O-N 3.42Å; Q271-N275 PolarHBondContact O-ND2 2.96Å; Q271-N275 PolarHBondContact O-OD1 3.42Å
272	M	96.1	Very high	94.8	Very high	89 Å²	89	80.9 Å²	80.9	44%	0.438	39%	0.386	S	S	.	.	H	α-helix	trans	-57.5	-48.3	172.1	-179.7	-159.6	73.4	0	0	110.6	E268 V269 V274 N275 L276	E268-M272 WeakPolarHBondContact O-CB 3.45Å; E268-M272 PolarHBondContact O-N 3.46Å; V269-M272 WeakPolarHBondContact O-CB 3.49Å; V269-M272 PolarHBondContact O-N 2.89Å; M272-V274 VanDerWaalsContact C-N 3.35Å; M272-V274 PolarHBondContact O-N 2.93Å; M272-N275 PolarHBondContact O-N 3.32Å; M272-L276 HydrophobicContact CE-CD1 4.38Å; M272-L276 HydrophobicContact CG-CD1 4.3Å; M272-L276 WeakPolarHBondContact O-CG 3.43Å; M272-L276 PolarHBondContact O-N 2.71Å
273	F	96.4	Very high	94.7	Very high	22 Å²	22	76.8 Å²	76.8	10%	0.096	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-37.3	177.6	-70.3	-57.7	0	0	0	113.1	L243 W259 V264 V269 G270 N275 L276 A277 E438	L243-F273 HydrophobicContact CD2-CB 4.19Å; W259-F273 HydrophobicContact CH2-CB 4.47Å; W259-F273 AromaticContact CH2-CD2 3.63Å; W259-F273 HydrophobicContact CH2-CD2 3.63Å; W259-F273 HydrophobicContact CH2-CE2 4.1Å; W259-F273 HydrophobicContact CH2-CG 4.21Å; W259-F273 HydrophobicContact CZ2-CB 4.05Å; W259-F273 HydrophobicContact CZ2-CD1 4.36Å; W259-F273 AromaticContact CZ2-CD2 3.62Å; W259-F273 HydrophobicContact CZ2-CD2 3.62Å; W259-F273 HydrophobicContact CZ2-CE2 4.09Å; W259-F273 AromaticContact CZ2-CG 3.77Å; W259-F273 HydrophobicContact CZ2-CG 3.77Å; V264-F273 HydrophobicContact CG1-CD2 4.49Å; V264-F273 HydrophobicContact CG1-CE2 4.2Å; V269-F273 HydrophobicContact CG1-CD2 3.98Å; V269-F273 HydrophobicContact CG1-CE2 3.48Å; V269-F273 VanDerWaalsContact CG1-CE2 3.48Å; V269-F273 HydrophobicContact CG1-CZ 4.35Å; V269-F273 WeakPolarHBondContact O-CD2 3.36Å; V269-F273 PolarHBondContact O-N 3.3Å; V269-F273 VanDerWaalsContact O-N 3.12Å; G270-F273 PolarHBondContact O-N 3.38Å; F273-N275 VanDerWaalsContact C-N 3.34Å; F273-L276 HydrophobicContact CD1-CD1 4.42Å; F273-L276 PolarHBondContact O-N 2.97Å; F273-A277 WeakPolarHBondContact O-CB 3.39Å; F273-A277 PolarHBondContact O-N 3.45Å; F273-E438 VanDerWaalsContact CD1-CD 3.46Å; F273-E438 HydrophobicContact CD1-CG 4.14Å; F273-E438 VanDerWaalsContact CD1-OE1 3.32Å; F273-E438 WeakPolarHBondContact CD1-OE1 3.37Å; F273-E438 WeakPolarHBondContact CE1-OE1 3.46Å
274	V	94.5	Very high	94.7	Very high	2 Å²	2	76.1 Å²	76.1	1%	0.012	36%	0.362	C	S	.	.	H	α-helix	trans	-59.9	-46.6	172.5	176.8	0	0	0	0	110.8	L243 G270 Q271 M272 L276 A277 K278 I481 L483	L243-V274 HydrophobicContact CD1-CB 4.23Å; L243-V274 HydrophobicContact CD1-CG2 3.45Å; L243-V274 VanDerWaalsContact CD1-CG2 3.45Å; G270-V274 VanDerWaalsContact O-CG2 3.3Å; G270-V274 WeakPolarHBondContact O-CG2 3.39Å; G270-V274 PolarHBondContact O-N 3.49Å; G270-V274 VanDerWaalsContact O-N 3.09Å; Q271-V274 WeakPolarHBondContact O-CB 3.3Å; Q271-V274 PolarHBondContact O-N 3.12Å; M272-V274 VanDerWaalsContact C-N 3.35Å; M272-V274 PolarHBondContact O-N 2.93Å; V274-L276 VanDerWaalsContact C-N 3.34Å; V274-L276 PolarHBondContact O-N 2.85Å; V274-A277 PolarHBondContact O-N 2.84Å; V274-K278 HydrophobicContact CG1-CD 3.8Å; V274-K278 HydrophobicContact CG1-CG 4.19Å; V274-K278 WeakPolarHBondContact O-CB 3.34Å; V274-K278 VanDerWaalsContact O-CG 3.31Å; V274-K278 WeakPolarHBondContact O-CG 3.36Å; V274-K278 PolarHBondContact O-N 3.3Å; V274-I481 HydrophobicContact CG1-CG2 4.42Å; V274-L483 HydrophobicContact CG2-CB 3.68Å; V274-L483 HydrophobicContact CG2-CD1 3.88Å; V274-L483 HydrophobicContact CG2-CD2 4.36Å; V274-L483 HydrophobicContact CG2-CG 4.17Å
275	N	93.6	Very high	94.7	Very high	88 Å²	88	75.1 Å²	75.1	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-41.5	-177.9	-66	-12.3	0	0	0	110.9	Q271 M272 F273 I279	Q271-N275 PolarHBondContact NE2-OD1 2.71Å; Q271-N275 PolarHBondContact O-N 3.42Å; Q271-N275 PolarHBondContact O-ND2 2.96Å; Q271-N275 PolarHBondContact O-OD1 3.42Å; M272-N275 PolarHBondContact O-N 3.32Å; F273-N275 VanDerWaalsContact C-N 3.34Å; N275-I279 WeakPolarHBondContact O-CG1 3.47Å
276	L	93.2	Very high	94.6	Very high	62 Å²	62	73 Å²	73	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.1	-69.8	172.6	0	0	0	112.2	M272 F273 V274	M272-L276 HydrophobicContact CE-CD1 4.38Å; M272-L276 HydrophobicContact CG-CD1 4.3Å; M272-L276 WeakPolarHBondContact O-CG 3.43Å; M272-L276 PolarHBondContact O-N 2.71Å; F273-L276 HydrophobicContact CD1-CD1 4.42Å; F273-L276 PolarHBondContact O-N 2.97Å; V274-L276 VanDerWaalsContact C-N 3.34Å; V274-L276 PolarHBondContact O-N 2.85Å
277	A	92.2	Very high	94.6	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-70.6	-37.1	-179.4	0	0	0	0	0	112.4	L243 F273 V274 I279 S280 I435 I481	L243-A277 HydrophobicContact CD2-CB 4.49Å; F273-A277 WeakPolarHBondContact O-CB 3.39Å; F273-A277 PolarHBondContact O-N 3.45Å; V274-A277 PolarHBondContact O-N 2.84Å; A277-I279 PolarHBondContact O-N 2.86Å; A277-S280 PolarHBondContact O-N 2.92Å; A277-S280 VanDerWaalsContact O-N 3.11Å; A277-I435 HydrophobicContact CB-CG2 4.33Å; A277-I481 HydrophobicContact CB-CD1 3.87Å; A277-I481 HydrophobicContact CB-CG2 4.37Å
278	K	91.3	Very high	94.6	Very high	124 Å²	124	66.5 Å²	66.5	54%	0.539	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-14.4	179	-79.8	-176.3	177.1	-177.8	0	114.8	V274 S280 I481	V274-K278 HydrophobicContact CG1-CD 3.8Å; V274-K278 HydrophobicContact CG1-CG 4.19Å; V274-K278 WeakPolarHBondContact O-CB 3.34Å; V274-K278 VanDerWaalsContact O-CG 3.31Å; V274-K278 WeakPolarHBondContact O-CG 3.36Å; V274-K278 PolarHBondContact O-N 3.3Å; K278-S280 PolarHBondContact O-N 3.36Å; K278-I481 VanDerWaalsContact CE-O 3.32Å; K278-I481 WeakPolarHBondContact CE-O 3.29Å; K278-I481 HydrophobicContact CG-CB 4.23Å; K278-I481 HydrophobicContact CG-CD1 4.34Å; K278-I481 HydrophobicContact CG-CG2 4.48Å
279	I	91	Very high	94.6	Very high	138 Å²	138	60.6 Å²	60.6	71%	0.708	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-33.6	172.3	-64.4	167	0	0	0	110.2	N275 A277	N275-I279 WeakPolarHBondContact O-CG1 3.47Å; A277-I279 PolarHBondContact O-N 2.86Å
280	S	90.3	Very high	94.5	Very high	34 Å²	34	64.7 Å²	64.7	24%	0.238	32%	0.32	C	S	.	.			trans	-90.2	134.8	177.6	-164.4	0	0	0	0	111.4	A277 K278 E282	A277-S280 PolarHBondContact O-N 2.92Å; A277-S280 VanDerWaalsContact O-N 3.11Å; K278-S280 PolarHBondContact O-N 3.36Å; S280-E282 PolarHBondContact OG-N 3.44Å; S280-E282 PolarHBondContact OG-O 2.65Å
281	K	92.8	Very high	94.6	Very high	175 Å²	175	71 Å²	71	76%	0.761	35%	0.348	S	S	*	.	S	Bend	trans	-94.2	-6.4	168	-64.3	-173.1	178.6	-178.2	0	112.9	V478	K281-V478 WeakPolarHBondContact O-CB 3.23Å; K281-V478 PolarHBondContact O-N 3.14Å
282	E	94.4	Very high	94.6	Very high	111 Å²	111	73.5 Å²	73.5	52%	0.519	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.8	-176.1	-64.2	-178.7	-179.4	0	0	110.2	S280 F476	S280-E282 PolarHBondContact OG-N 3.44Å; S280-E282 PolarHBondContact OG-O 2.65Å; E282-F476 CarbonylContact C-O 3.58Å; E282-F476 WeakPolarHBondContact CA-O 3.42Å
283	A	95.9	Very high	94.7	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.9	169.1	0	0	0	0	0	108.2	V247 F433 R434 I435 T475 F476 V478	V247-A283 HydrophobicContact CB-CB 4.44Å; V247-A283 HydrophobicContact CG1-CB 3.7Å; A283-F433 HydrophobicContact CB-CD1 4.02Å; A283-R434 WeakPolarHBondContact CA-O 3.43Å; A283-I435 HydrophobicContact CB-CD1 3.9Å; A283-I435 HydrophobicContact CB-CG1 3.56Å; A283-T475 WeakPolarHBondContact O-CA 3.34Å; A283-F476 HydrophobicContact CB-CB 4.34Å; A283-F476 PolarHBondContact N-O 3.42Å; A283-F476 PolarHBondContact O-N 2.89Å; A283-V478 HydrophobicContact CB-CG2 4.17Å
284	Q	96.1	Very high	94.7	Very high	97 Å²	97	76 Å²	76	45%	0.453	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.8	178.5	-174.2	176.8	30.5	0	0	110	E286 F433 R434	Q284-E286 PolarHBondContact O-N 2.98Å; Q284-F433 CarbonylContact O-C 3.59Å; Q284-F433 VanDerWaalsContact O-CA 3.27Å; Q284-F433 WeakPolarHBondContact O-CA 2.77Å; Q284-R434 PolarHBondContact N-O 3.17Å; Q284-R434 PolarHBondContact O-N 3.42Å
285	V	97.2	Very high	94.8	Very high	1 Å²	1	79.3 Å²	79.3	1%	0.006	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.3	171.9	179.6	0	0	0	0	109.1	V288 I431 F433 C470 E471 G473 D474 F476	V285-V288 HydrophobicContact CG1-CG2 3.65Å; V285-I431 HydrophobicContact CG1-CG2 3.9Å; V285-I431 HydrophobicContact CG2-CG2 4.34Å; V285-F433 HydrophobicContact CG2-CD1 4.01Å; V285-F433 HydrophobicContact CG2-CE1 3.61Å; V285-F433 HydrophobicContact CG2-CZ 4.3Å; V285-C470 HydrophobicContact CG2-CB 4.4Å; V285-E471 WeakPolarHBondContact CG1-O 3.28Å; V285-G473 PolarHBondContact O-N 3.16Å; V285-D474 HydrophobicContact CB-CB 4.29Å; V285-D474 HydrophobicContact CG2-CB 3.93Å; V285-D474 PolarHBondContact N-O 2.75Å; V285-F476 HydrophobicContact CG2-CD2 3.99Å; V285-F476 HydrophobicContact CG2-CE2 3.77Å
286	E	96.7	Very high	95	Very high	61 Å²	61	80.3 Å²	80.3	29%	0.285	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-40	177.5	-64	-167.1	129.5	0	0	112.5	Q284 D432 R434 C472	Q284-E286 PolarHBondContact O-N 2.98Å; E286-D432 HydrophobicContact CB-CB 4.47Å; E286-D432 PolarHBondContact N-O 2.88Å; E286-R434 HydrophobicContact CG-CB 3.76Å; E286-R434 IonicContact OE1-CZ 3.45Å; E286-R434 IonicContact OE1-NE 2.69Å; E286-R434 PolarHBondContact OE1-NE 2.66Å; E286-R434 IonicContact OE1-NH2 3.4Å; E286-R434 PolarHBondContact OE1-NH2 3.44Å; E286-C472 PolarHBondContact O-SG 2.86Å
287	S	96.6	Very high	95.2	Very high	49 Å²	49	78.6 Å²	78.6	34%	0.343	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	145.4	179.4	40.5	0	0	0	0	111.6	I431 D432	S287-I431 WeakPolarHBondContact O-CA 3.49Å; S287-D432 PolarHBondContact O-N 2.81Å; S287-D432 WeakPolarHBondContact OG-CB 3.41Å; S287-D432 PolarHBondContact OG-OD2 3.03Å
288	V	95.9	Very high	95.4	Very high	51 Å²	51	79.4 Å²	79.4	31%	0.309	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.7	168.8	-177.2	0	0	0	0	106.9	V285 T429 I431	V285-V288 HydrophobicContact CG1-CG2 3.65Å; V288-T429 HydrophobicContact CG1-CG2 4.46Å; V288-I431 HydrophobicContact CG1-CG1 4.34Å; V288-I431 HydrophobicContact CG2-CG1 4.48Å; V288-I431 HydrophobicContact CG2-CG2 4.26Å
289	S	95.1	Very high	95.7	Very high	37 Å²	37	77.8 Å²	77.8	26%	0.259	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.6	177.3	72.1	0	0	0	0	110.7	T429 T430	S289-T429 CarbonylContact O-C 3.53Å; S289-T429 WeakPolarHBondContact O-CA 3.37Å; S289-T430 PolarHBondContact N-O 2.93Å; S289-T430 PolarHBondContact O-N 3.02Å; S289-T430 PolarHBondContact OG-O 3.2Å
290	K	94.8	Very high	96.1	Very high	142 Å²	142	71.5 Å²	71.5	62%	0.617	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.2	174.2	-68.5	-177.2	180	179.3	0	107.8	L427 Q428 T429	K290-L427 HydrophobicContact CB-CD1 4.16Å; K290-L427 HydrophobicContact CD-CD2 4.39Å; K290-Q428 WeakPolarHBondContact CA-O 3.23Å; K290-T429 HydrophobicContact CG-CG2 4.09Å
291	K	96.3	Very high	96.5	Very high	133 Å²	133	69.9 Å²	69.9	58%	0.578	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.1	-178	-65.9	-177	-178.4	176.3	0	109.9	K293 Q428	K291-K293 PolarHBondContact O-N 3.05Å; K291-Q428 PolarHBondContact N-O 3.35Å; K291-Q428 PolarHBondContact O-N 2.67Å
292	D	96.9	Very high	96.7	Very high	128 Å²	128	62.3 Å²	62.3	68%	0.684	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	122.1	167.4	-65.2	-26.5	0	0	0	108.6	L427	D292-L427 VanDerWaalsContact OD1-CD1 3.25Å; D292-L427 WeakPolarHBondContact OD1-CD1 3.39Å
293	K	97.1	Very high	96.8	Very high	89 Å²	89	57.4 Å²	57.4	39%	0.387	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.9	177.5	-72.4	-165.9	-179.1	178.1	0	110.2	K291 Y426 Q428	K291-K293 PolarHBondContact O-N 3.05Å; K293-Y426 HydrophobicContact CB-CD1 4.3Å; K293-Y426 HydrophobicContact CB-CD2 4.22Å; K293-Y426 HydrophobicContact CB-CE1 3.71Å; K293-Y426 HydrophobicContact CB-CE2 3.64Å; K293-Y426 WeakPolarHBondContact CB-OH 3.35Å; K293-Y426 HydrophobicContact CD-CE2 4.08Å; K293-Y426 WeakPolarHBondContact CD-OH 3.25Å; K293-Y426 HydrophobicContact CG-CE2 4.38Å; K293-Y426 PolarHBondContact N-O 3.1Å; K293-Y426 WeakPolarHBondContact O-CD1 3.47Å; K293-Y426 PolarHBondContact O-N 3.14Å; K293-Y426 VanDerWaalsContact O-O 3.11Å; K293-Q428 HydrophobicContact CD-CB 3.86Å; K293-Q428 HydrophobicContact CD-CG 4.34Å; K293-Q428 HydrophobicContact CG-CB 4.16Å
294	V	96.9	Very high	96.8	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.455	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.1	-179.6	-178.6	0	0	0	0	108.8	Q296 D423 C424	V294-Q296 HydrophobicContact CG1-CG 4.48Å; V294-D423 HydrophobicContact CG1-CB 3.33Å; V294-C424 CarbonylContact C-O 3.56Å; V294-C424 WeakPolarHBondContact CA-O 3.31Å
295	K	97.1	Very high	96.9	Very high	70 Å²	70	56.8 Å²	56.8	30%	0.304	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	106.8	164.4	-176.6	176.2	-174.9	175.4	0	107.2	C424 Y426 Q459 I461	K295-C424 HydrophobicContact CB-CB 4.09Å; K295-C424 PolarHBondContact N-O 2.96Å; K295-C424 PolarHBondContact O-N 3.14Å; K295-Y426 HydrophobicContact CB-CD1 4.47Å; K295-Y426 HydrophobicContact CB-CE1 4.04Å; K295-Q459 WeakPolarHBondContact CE-O 3.44Å; K295-Q459 PolarHBondContact NZ-O 3.39Å; K295-I461 HydrophobicContact CD-CD1 4.22Å
296	Q	97.6	Very high	97	Very high	110 Å²	110	56.8 Å²	56.8	51%	0.514	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-66.7	139.4	-173.4	-63.1	178.8	-36	0	0	111.1	V294 R379	V294-Q296 HydrophobicContact CG1-CG 4.48Å; Q296-R379 VanDerWaalsContact CB-NH1 3.27Å
297	R	97.1	Very high	97.1	Very high	25 Å²	25	54 Å²	54	9%	0.094	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-57.7	158.8	170.1	75.3	-166.5	170.8	-76	4.1	111.5	N376 Q377 R379 T419 S421 D423 Y452	R297-N376 VanDerWaalsContact CZ-ND2 3.3Å; R297-Q377 PolarHBondContact NH2-O 2.69Å; R297-R379 HydrophobicContact CG-CG 3.94Å; R297-R379 VanDerWaalsContact CZ-CG 3.5Å; R297-R379 WeakPolarHBondContact O-CD 3.42Å; R297-R379 PolarHBondContact O-NH1 2.96Å; R297-T419 WeakPolarHBondContact CD-O 3.23Å; R297-T419 PolarHBondContact NE-O 3Å; R297-S421 WeakPolarHBondContact CD-O 3.49Å; R297-D423 WeakPolarHBondContact CB-OD1 3.39Å; R297-D423 VanDerWaalsContact CG-OD1 3.27Å; R297-D423 WeakPolarHBondContact CG-OD1 3.48Å; R297-D423 IonicContact CZ-OD1 3.26Å; R297-D423 PolarHBondContact N-OD1 2.99Å; R297-D423 IonicContact NH1-OD1 2.63Å; R297-D423 PolarHBondContact NH1-OD1 3.3Å; R297-D423 IonicContact NH1-OD2 2.62Å; R297-D423 PolarHBondContact NH1-OD2 3.16Å; R297-D423 VanDerWaalsContact NH1-OD2 3.15Å; R297-Y452 HydrophobicContact CB-CD1 3.78Å; R297-Y452 HydrophobicContact CB-CE1 4.36Å; R297-Y452 HydrophobicContact CB-CG 3.89Å
298	P	97.4	Very high	97.1	Very high	18 Å²	18	55.5 Å²	55.5	12%	0.117	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-65.9	157.1	-179.2	27.9	-35.6	0	0	0	112.3	H415 A418 T419 M456	P298-H415 VanDerWaalsContact CB-CE1 3.49Å; P298-H415 WeakPolarHBondContact CB-CE1 3.42Å; P298-A418 HydrophobicContact CG-CB 3.82Å; P298-T419 HydrophobicContact CG-CG2 4.24Å; P298-M456 HydrophobicContact CG-SD 4.12Å
299	Q	97.3	Very high	97.2	Very high	90 Å²	90	54.1 Å²	54.1	42%	0.421	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-71.7	163.2	163.7	-71.9	-178.3	-44.5	0	0	110.3	R379 K380 H415	Q299-R379 HydrophobicContact CG-CB 4.46Å; Q299-K380 PolarHBondContact NE2-O 3.46Å; Q299-H415 PolarHBondContact O-NE2 3.33Å
300	A	98.1	Very high	97.4	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-59.8	145.4	176.7	0	0	0	0	0	110.9	N302 T342 Y344 P389	A300-N302 PolarHBondContact O-N 3.28Å; A300-T342 WeakPolarHBondContact CB-O 3.25Å; A300-Y344 HydrophobicContact CB-CD2 4.05Å; A300-Y344 HydrophobicContact CB-CE1 4.15Å; A300-Y344 HydrophobicContact CB-CE2 3.45Å; A300-Y344 VanDerWaalsContact CB-CE2 3.45Å; A300-Y344 VanDerWaalsContact CB-CZ 3.5Å; A300-P389 HydrophobicContact CB-CB 3.57Å; A300-P389 HydrophobicContact CB-CG 3.49Å; A300-P389 VanDerWaalsContact CB-CG 3.49Å
301	L	98.5	Very high	97.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-76.5	124.7	-168.8	-171.1	65.4	0	0	0	111.4	E305 M306 P389 I390 Y411 I412	L301-E305 HydrophobicContact CD1-CB 4.01Å; L301-E305 HydrophobicContact CD1-CG 4.05Å; L301-M306 HydrophobicContact CD1-CB 4.23Å; L301-M306 HydrophobicContact CD2-CB 4.26Å; L301-M306 HydrophobicContact CG-CB 4.25Å; L301-P389 CarbonylContact O-C 3.53Å; L301-P389 WeakPolarHBondContact O-CA 3.42Å; L301-P389 WeakPolarHBondContact O-CB 3.43Å; L301-I390 HydrophobicContact CB-CB 4.38Å; L301-I390 HydrophobicContact CD2-CB 4.18Å; L301-I390 HydrophobicContact CD2-CG2 4.41Å; L301-I390 HydrophobicContact CG-CB 4.29Å; L301-I390 PolarHBondContact O-N 3.46Å; L301-Y411 HydrophobicContact CD1-CE1 4.09Å; L301-Y411 HydrophobicContact CD2-CE1 4.15Å; L301-I412 HydrophobicContact CD2-CB 4.41Å; L301-I412 HydrophobicContact CD2-CG1 3.88Å; L301-I412 HydrophobicContact CD2-CG2 4.46Å
302	N	97.4	Very high	97.5	Very high	16 Å²	16	43.5 Å²	43.5	9%	0.086	22%	0.221	C	C	.	.			trans	-106.9	178.4	168.2	74.1	-6.1	0	0	0	111	A300 V304 E305 M306 T339 T342	A300-N302 PolarHBondContact O-N 3.28Å; N302-V304 PolarHBondContact O-N 2.83Å; N302-V304 PolarHBondContact OD1-N 2.98Å; N302-E305 WeakPolarHBondContact OD1-CB 3.44Å; N302-E305 PolarHBondContact OD1-N 3.25Å; N302-M306 WeakPolarHBondContact O-CB 3.41Å; N302-M306 PolarHBondContact O-N 3.36Å; N302-M306 VanDerWaalsContact O-N 3.1Å; N302-T339 WeakPolarHBondContact CB-O 3.2Å; N302-T342 HydrophobicContact CB-CG2 3.71Å
303	T	97.5	Very high	97.4	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.043	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-43.4	180	-60.7	0	0	0	0	112.9	M306 L307 M322 P337 R338 T339 A512	T303-M306 PolarHBondContact O-N 3.3Å; T303-L307 HydrophobicContact CG2-CD1 3.75Å; T303-L307 HydrophobicContact CG2-CG 4.27Å; T303-L307 WeakPolarHBondContact O-CG 3.3Å; T303-L307 PolarHBondContact O-N 2.92Å; T303-M322 HydrophobicContact CG2-CE 3.42Å; T303-M322 VanDerWaalsContact CG2-CE 3.42Å; T303-P337 PolarHBondContact OG1-O 3.41Å; T303-R338 VanDerWaalsContact OG1-CA 3.23Å; T303-R338 WeakPolarHBondContact OG1-CA 3.25Å; T303-T339 PolarHBondContact N-O 2.9Å; T303-T339 PolarHBondContact OG1-N 3.02Å; T303-T339 PolarHBondContact OG1-O 2.89Å; T303-T339 VanDerWaalsContact OG1-O 3.1Å; T303-A512 HydrophobicContact CG2-CB 4.18Å
304	V	96.2	Very high	97.4	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.097	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-49.8	-176.4	173.6	0	0	0	0	110.6	N302 M306 L307 R308 I500 E504	N302-V304 PolarHBondContact O-N 2.83Å; N302-V304 PolarHBondContact OD1-N 2.98Å; V304-M306 PolarHBondContact O-N 3.03Å; V304-L307 PolarHBondContact O-N 3.13Å; V304-R308 VanDerWaalsContact O-CG 3.31Å; V304-R308 WeakPolarHBondContact O-CG 3.34Å; V304-R308 PolarHBondContact O-N 3.23Å; V304-I500 HydrophobicContact CG1-CG2 3.62Å; V304-E504 HydrophobicContact CG2-CG 4.49Å
305	E	97.4	Very high	97.4	Very high	69 Å²	69	36.3 Å²	36.3	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-67.3	-38.3	-179	-171.1	62.2	-168.3	0	0	111.6	L301 N302 L307 R308 V309	L301-E305 HydrophobicContact CD1-CB 4.01Å; L301-E305 HydrophobicContact CD1-CG 4.05Å; N302-E305 WeakPolarHBondContact OD1-CB 3.44Å; N302-E305 PolarHBondContact OD1-N 3.25Å; E305-L307 PolarHBondContact O-N 3.15Å; E305-R308 PolarHBondContact O-N 3.3Å; E305-R308 IonicContact OE2-NH1 3.59Å; E305-V309 WeakPolarHBondContact O-CG2 3.42Å; E305-V309 PolarHBondContact O-N 3.05Å
306	M	98.6	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.1	-48.9	172.7	-179.8	-172.5	65.6	0	0	111.4	L301 N302 T303 V304 A310 T321 M322 A325 P337 I390 L408 I412	L301-M306 HydrophobicContact CD1-CB 4.23Å; L301-M306 HydrophobicContact CD2-CB 4.26Å; L301-M306 HydrophobicContact CG-CB 4.25Å; N302-M306 WeakPolarHBondContact O-CB 3.41Å; N302-M306 PolarHBondContact O-N 3.36Å; N302-M306 VanDerWaalsContact O-N 3.1Å; T303-M306 PolarHBondContact O-N 3.3Å; V304-M306 PolarHBondContact O-N 3.03Å; M306-A310 WeakPolarHBondContact O-CB 3.23Å; M306-A310 PolarHBondContact O-N 2.86Å; M306-T321 HydrophobicContact CE-CG2 4.4Å; M306-T321 HydrophobicContact CG-CG2 4.4Å; M306-M322 HydrophobicContact CE-CE 4.11Å; M306-A325 HydrophobicContact CE-CB 3.92Å; M306-A325 HydrophobicContact SD-CB 3.95Å; M306-P337 HydrophobicContact CE-CB 4.3Å; M306-I390 HydrophobicContact CB-CD1 4.16Å; M306-I390 HydrophobicContact CE-CD1 4Å; M306-I390 HydrophobicContact SD-CD1 3.77Å; M306-L408 HydrophobicContact CG-CD1 4.11Å; M306-L408 HydrophobicContact SD-CD1 4.47Å; M306-I412 HydrophobicContact SD-CD1 4.23Å
307	L	98.4	Very high	97.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-39.6	-179.7	-66.2	168.3	0	0	0	112.2	T303 V304 E305 S311 P318 T321 M322 I500 P515	T303-L307 HydrophobicContact CG2-CD1 3.75Å; T303-L307 HydrophobicContact CG2-CG 4.27Å; T303-L307 WeakPolarHBondContact O-CG 3.3Å; T303-L307 PolarHBondContact O-N 2.92Å; V304-L307 PolarHBondContact O-N 3.13Å; E305-L307 PolarHBondContact O-N 3.15Å; L307-S311 PolarHBondContact O-N 3.47Å; L307-P318 HydrophobicContact CD2-CB 4.21Å; L307-P318 WeakPolarHBondContact CD2-O 3.19Å; L307-T321 HydrophobicContact CD2-CG2 3.97Å; L307-M322 HydrophobicContact CD2-CE 4.38Å; L307-I500 HydrophobicContact CB-CD1 3.77Å; L307-P515 HydrophobicContact CD1-CG 3.54Å; L307-P515 HydrophobicContact CD2-CG 4.06Å; L307-P515 HydrophobicContact CG-CG 4.47Å
308	R	98.1	Very high	97.4	Very high	81 Å²	81	28.1 Å²	28.1	31%	0.306	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-51.2	177.8	-74	177.7	68.3	-177.9	2.5	111.2	V304 E305 S311 S312 A497 I500 T501	V304-R308 VanDerWaalsContact O-CG 3.31Å; V304-R308 WeakPolarHBondContact O-CG 3.34Å; V304-R308 PolarHBondContact O-N 3.23Å; E305-R308 PolarHBondContact O-N 3.3Å; E305-R308 IonicContact OE2-NH1 3.59Å; R308-S311 PolarHBondContact O-N 2.88Å; R308-S312 PolarHBondContact O-N 3.43Å; R308-S312 PolarHBondContact O-OG 2.97Å; R308-S312 VanDerWaalsContact O-OG 3.12Å; R308-A497 HydrophobicContact CB-CB 4.08Å; R308-A497 HydrophobicContact CG-CB 4.15Å; R308-I500 HydrophobicContact CG-CB 4.15Å; R308-I500 HydrophobicContact CG-CD1 4.34Å; R308-I500 HydrophobicContact CG-CG2 3.82Å; R308-T501 PolarHBondContact NE-OG1 3.24Å
309	V	98.1	Very high	97.4	Very high	22 Å²	22	29.2 Å²	29.2	13%	0.133	18%	0.178	C	C	.	.	H	α-helix	trans	-69.8	-39	-178.6	178.2	0	0	0	0	111.4	E305 S311 S312 A313 L314 Y411	E305-V309 WeakPolarHBondContact O-CG2 3.42Å; E305-V309 PolarHBondContact O-N 3.05Å; V309-S311 VanDerWaalsContact C-N 3.27Å; V309-S311 PolarHBondContact O-N 3.44Å; V309-S312 PolarHBondContact O-N 3.39Å; V309-A313 HydrophobicContact CG1-CB 3.95Å; V309-A313 WeakPolarHBondContact O-CA 3.44Å; V309-A313 VanDerWaalsContact O-CB 3.31Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.27Å; V309-L314 PolarHBondContact O-N 3Å; V309-Y411 HydrophobicContact CB-CE1 3.93Å; V309-Y411 HydrophobicContact CB-CE2 4.24Å; V309-Y411 HydrophobicContact CG1-CD1 4.34Å; V309-Y411 HydrophobicContact CG1-CD2 3.94Å; V309-Y411 HydrophobicContact CG1-CE1 3.93Å; V309-Y411 HydrophobicContact CG1-CE2 3.54Å; V309-Y411 HydrophobicContact CG1-CG 4.34Å; V309-Y411 HydrophobicContact CG2-CE2 4.46Å; V309-Y411 WeakPolarHBondContact CG2-OH 3.37Å
310	A	98.2	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-39.4	175.3	0	0	0	0	0	111.9	M306 L314 G315 M316 T321 L408	M306-A310 WeakPolarHBondContact O-CB 3.23Å; M306-A310 PolarHBondContact O-N 2.86Å; A310-L314 HydrophobicContact CB-CD1 4.41Å; A310-L314 CarbonylContact O-C 3.56Å; A310-L314 VanDerWaalsContact O-CA 3.27Å; A310-L314 WeakPolarHBondContact O-CA 3.43Å; A310-L314 VanDerWaalsContact O-CB 3.23Å; A310-L314 WeakPolarHBondContact O-CB 3.49Å; A310-L314 PolarHBondContact O-N 2.84Å; A310-L314 VanDerWaalsContact O-N 3.14Å; A310-G315 PolarHBondContact O-N 3Å; A310-M316 HydrophobicContact CB-CB 4.35Å; A310-M316 PolarHBondContact O-N 3.33Å; A310-T321 HydrophobicContact CB-CG2 3.41Å; A310-T321 VanDerWaalsContact CB-CG2 3.41Å; A310-T321 WeakPolarHBondContact CB-OG1 3.4Å; A310-L408 HydrophobicContact CB-CD1 4.36Å
311	S	97.7	Very high	97.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-70.4	-54.3	173.6	179.4	0	0	0	0	112.3	L307 R308 V309 G315 M316 E496 R533	L307-S311 PolarHBondContact O-N 3.47Å; R308-S311 PolarHBondContact O-N 2.88Å; V309-S311 VanDerWaalsContact C-N 3.27Å; V309-S311 PolarHBondContact O-N 3.44Å; S311-G315 VanDerWaalsContact O-CA 3.3Å; S311-G315 WeakPolarHBondContact O-CA 3.41Å; S311-G315 PolarHBondContact O-N 3.32Å; S311-G315 VanDerWaalsContact O-N 3.14Å; S311-M316 VanDerWaalsContact CA-O 3.25Å; S311-M316 WeakPolarHBondContact CA-O 3.32Å; S311-M316 PolarHBondContact N-O 2.73Å; S311-E496 WeakPolarHBondContact CB-OE2 3.4Å; S311-E496 WeakPolarHBondContact OG-CB 3.4Å; S311-E496 PolarHBondContact OG-OE2 3.09Å; S311-R533 WeakPolarHBondContact OG-CB 3.24Å
312	S	96.1	Very high	97.4	Very high	88 Å²	88	28.4 Å²	28.4	62%	0.615	17%	0.173	S	C	*	.	H	α-helix	trans	-72	-36.6	-170.9	65.1	0	0	0	0	113.9	R308 V309	R308-S312 PolarHBondContact O-N 3.43Å; R308-S312 PolarHBondContact O-OG 2.97Å; R308-S312 VanDerWaalsContact O-OG 3.12Å; V309-S312 PolarHBondContact O-N 3.39Å
313	A	95.4	Very high	97.3	Very high	69 Å²	69	32.6 Å²	32.6	57%	0.57	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-37.2	-174.6	0	0	0	0	0	112.8	V309	V309-A313 HydrophobicContact CG1-CB 3.95Å; V309-A313 WeakPolarHBondContact O-CA 3.44Å; V309-A313 VanDerWaalsContact O-CB 3.31Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.27Å
314	L	96.8	Very high	97.4	Very high	31 Å²	31	32.4 Å²	32.4	16%	0.162	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-6.5	-178.8	-46.9	179.4	0	0	0	112.9	V309 A310 M316 R407 L408	V309-L314 PolarHBondContact O-N 3Å; A310-L314 HydrophobicContact CB-CD1 4.41Å; A310-L314 CarbonylContact O-C 3.56Å; A310-L314 VanDerWaalsContact O-CA 3.27Å; A310-L314 WeakPolarHBondContact O-CA 3.43Å; A310-L314 VanDerWaalsContact O-CB 3.23Å; A310-L314 WeakPolarHBondContact O-CB 3.49Å; A310-L314 PolarHBondContact O-N 2.84Å; A310-L314 VanDerWaalsContact O-N 3.14Å; L314-M316 HydrophobicContact CB-CE 4.13Å; L314-M316 HydrophobicContact CB-CG 4.02Å; L314-M316 HydrophobicContact CB-SD 4.19Å; L314-M316 HydrophobicContact CD1-CE 4.28Å; L314-M316 HydrophobicContact CD1-SD 4.31Å; L314-M316 PolarHBondContact O-N 3.44Å; L314-R407 PolarHBondContact O-NH2 3.14Å; L314-L408 HydrophobicContact CD1-CD1 4.28Å
315	G	96.6	Very high	97.5	Very high	42 Å²	42	31.7 Å²	31.7	43%	0.433	19%	0.186	S	C	.	.			trans	63.3	19.7	-179.1	0	0	0	0	0	114.1	A310 S311	A310-G315 PolarHBondContact O-N 3Å; S311-G315 VanDerWaalsContact O-CA 3.3Å; S311-G315 WeakPolarHBondContact O-CA 3.41Å; S311-G315 PolarHBondContact O-N 3.32Å; S311-G315 VanDerWaalsContact O-N 3.14Å
316	M	97.5	Very high	97.4	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.025	18%	0.178	C	C	.	.			trans	-92.5	126.6	-179.8	-62.2	179	-175.1	0	0	110.1	A310 S311 L314 T321 I324 D404 R407	A310-M316 HydrophobicContact CB-CB 4.35Å; A310-M316 PolarHBondContact O-N 3.33Å; S311-M316 VanDerWaalsContact CA-O 3.25Å; S311-M316 WeakPolarHBondContact CA-O 3.32Å; S311-M316 PolarHBondContact N-O 2.73Å; L314-M316 HydrophobicContact CB-CE 4.13Å; L314-M316 HydrophobicContact CB-CG 4.02Å; L314-M316 HydrophobicContact CB-SD 4.19Å; L314-M316 HydrophobicContact CD1-CE 4.28Å; L314-M316 HydrophobicContact CD1-SD 4.31Å; L314-M316 PolarHBondContact O-N 3.44Å; M316-T321 VanDerWaalsContact CB-OG1 3.31Å; M316-T321 WeakPolarHBondContact CB-OG1 3.26Å; M316-I324 HydrophobicContact SD-CD1 4.03Å; M316-D404 HydrophobicContact CE-CB 3.96Å; M316-D404 WeakPolarHBondContact CE-O 3.44Å; M316-R407 HydrophobicContact CE-CB 3.79Å
317	G	97.1	Very high	97.3	Very high	23 Å²	23	35 Å²	35	24%	0.237	20%	0.197	C	C	.	.			trans	-61.6	153.9	174.2	0	0	0	0	0	111.7	Q319 H320 T321	G317-Q319 PolarHBondContact O-N 3.25Å; G317-H320 PolarHBondContact O-N 3.25Å; G317-T321 PolarHBondContact O-N 2.99Å; G317-T321 PolarHBondContact O-OG1 2.82Å
318	P	97.4	Very high	97.2	Very high	5 Å²	5	35 Å²	35	3%	0.032	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-43.8	-174.7	-29.3	36.8	0	0	0	113.9	L307 T321 M322 E496 I500 P515 I518	L307-P318 HydrophobicContact CD2-CB 4.21Å; L307-P318 WeakPolarHBondContact CD2-O 3.19Å; P318-T321 WeakPolarHBondContact O-CB 3.41Å; P318-T321 PolarHBondContact O-N 3.07Å; P318-M322 PolarHBondContact O-N 3.14Å; P318-E496 HydrophobicContact CG-CB 4.28Å; P318-I500 HydrophobicContact CG-CD1 4.07Å; P318-P515 HydrophobicContact CB-CB 3.94Å; P318-P515 HydrophobicContact CB-CG 4.34Å; P318-I518 HydrophobicContact CG-CD1 4.31Å; P318-I518 HydrophobicContact CG-CG2 4.28Å
319	Q	96.9	Very high	97.2	Very high	41 Å²	41	31.2 Å²	31.2	19%	0.192	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-41	179.4	-174.7	64.2	41.9	0	0	112.4	G317 M322 Q323 N519	G317-Q319 PolarHBondContact O-N 3.25Å; Q319-M322 PolarHBondContact O-N 3.28Å; Q319-Q323 WeakPolarHBondContact O-CG 3.37Å; Q319-Q323 PolarHBondContact O-N 2.97Å; Q319-Q323 VanDerWaalsContact O-N 3.07Å; Q319-N519 HydrophobicContact CB-CB 3.83Å; Q319-N519 HydrophobicContact CG-CB 4.29Å
320	H	97.5	Very high	96.8	Very high	76 Å²	76	30.8 Å²	30.8	35%	0.352	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-43.8	176.3	-175.5	59.5	0	0	0	110.9	G317 M322 Q323 I324 D404	G317-H320 PolarHBondContact O-N 3.25Å; H320-M322 PolarHBondContact O-N 3.4Å; H320-Q323 PolarHBondContact O-N 3.12Å; H320-I324 WeakPolarHBondContact NE2-CD1 3.38Å; H320-I324 WeakPolarHBondContact O-CG1 3.29Å; H320-I324 PolarHBondContact O-N 3.14Å; H320-D404 IonicContact CD2-OD2 2.83Å; H320-D404 IonicContact CE1-OD2 3.84Å; H320-D404 IonicContact NE2-OD2 2.86Å; H320-D404 PolarHBondContact NE2-OD2 3.15Å
321	T	98.4	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-48.3	175.8	-56.4	0	0	0	0	111.3	M306 L307 A310 M316 G317 P318 Q323 I324 A325 L408	M306-T321 HydrophobicContact CE-CG2 4.4Å; M306-T321 HydrophobicContact CG-CG2 4.4Å; L307-T321 HydrophobicContact CD2-CG2 3.97Å; A310-T321 HydrophobicContact CB-CG2 3.41Å; A310-T321 VanDerWaalsContact CB-CG2 3.41Å; A310-T321 WeakPolarHBondContact CB-OG1 3.4Å; M316-T321 VanDerWaalsContact CB-OG1 3.31Å; M316-T321 WeakPolarHBondContact CB-OG1 3.26Å; G317-T321 PolarHBondContact O-N 2.99Å; G317-T321 PolarHBondContact O-OG1 2.82Å; P318-T321 WeakPolarHBondContact O-CB 3.41Å; P318-T321 PolarHBondContact O-N 3.07Å; T321-Q323 PolarHBondContact O-N 2.78Å; T321-I324 PolarHBondContact O-N 3.4Å; T321-A325 WeakPolarHBondContact O-CB 3.47Å; T321-A325 PolarHBondContact O-N 3.02Å; T321-L408 HydrophobicContact CG2-CD1 4.09Å; T321-L408 HydrophobicContact CG2-CD2 3.97Å
322	M	97.6	Very high	96.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-40.5	179.9	-171.5	55.1	67.1	0	0	112.1	T303 M306 L307 P318 Q319 H320 I324 A325 E326 P337 R338 P515	T303-M322 HydrophobicContact CG2-CE 3.42Å; T303-M322 VanDerWaalsContact CG2-CE 3.42Å; M306-M322 HydrophobicContact CE-CE 4.11Å; L307-M322 HydrophobicContact CD2-CE 4.38Å; P318-M322 PolarHBondContact O-N 3.14Å; Q319-M322 PolarHBondContact O-N 3.28Å; H320-M322 PolarHBondContact O-N 3.4Å; M322-I324 VanDerWaalsContact C-N 3.34Å; M322-I324 PolarHBondContact O-N 3.41Å; M322-A325 PolarHBondContact O-N 3.29Å; M322-E326 WeakPolarHBondContact O-CB 3.14Å; M322-E326 WeakPolarHBondContact O-CG 3.44Å; M322-E326 PolarHBondContact O-N 3.41Å; M322-E326 HydrophobicContact SD-CG 4.42Å; M322-P337 HydrophobicContact SD-CB 4.45Å; M322-P337 HydrophobicContact SD-CG 4.26Å; M322-R338 HydrophobicContact CE-CG 4.16Å; M322-R338 HydrophobicContact SD-CG 3.81Å; M322-P515 HydrophobicContact CE-CG 4.45Å
323	Q	96.7	Very high	96.5	Very high	104 Å²	104	31.5 Å²	31.5	49%	0.486	18%	0.175	S	C	.	.	H	α-helix	trans	-61.9	-40.1	175.6	-72.5	171.2	-8.4	0	0	112.6	Q319 H320 T321 R327	Q319-Q323 WeakPolarHBondContact O-CG 3.37Å; Q319-Q323 PolarHBondContact O-N 2.97Å; Q319-Q323 VanDerWaalsContact O-N 3.07Å; H320-Q323 PolarHBondContact O-N 3.12Å; T321-Q323 PolarHBondContact O-N 2.78Å; Q323-R327 WeakPolarHBondContact O-CB 3.39Å; Q323-R327 PolarHBondContact O-N 3.34Å; Q323-R327 VanDerWaalsContact O-N 3.09Å
324	I	98.1	Very high	96.6	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-46.1	175.8	-64.8	161.4	0	0	0	110.3	M316 H320 T321 M322 E326 R327 L328 D404 L408	M316-I324 HydrophobicContact SD-CD1 4.03Å; H320-I324 WeakPolarHBondContact NE2-CD1 3.38Å; H320-I324 WeakPolarHBondContact O-CG1 3.29Å; H320-I324 PolarHBondContact O-N 3.14Å; T321-I324 PolarHBondContact O-N 3.4Å; M322-I324 VanDerWaalsContact C-N 3.34Å; M322-I324 PolarHBondContact O-N 3.41Å; I324-E326 PolarHBondContact O-N 3.23Å; I324-R327 WeakPolarHBondContact O-CB 3.43Å; I324-R327 PolarHBondContact O-N 3Å; I324-R327 VanDerWaalsContact O-N 3.12Å; I324-L328 HydrophobicContact CG2-CD1 4.2Å; I324-L328 HydrophobicContact CG2-CG 4.38Å; I324-L328 WeakPolarHBondContact O-CG 3.17Å; I324-L328 PolarHBondContact O-N 3.18Å; I324-D404 HydrophobicContact CD1-CB 3.78Å; I324-L408 HydrophobicContact CB-CD2 4.01Å; I324-L408 HydrophobicContact CG2-CB 4.23Å; I324-L408 HydrophobicContact CG2-CD2 3.79Å
325	A	98.3	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-45.3	179.5	0	0	0	0	0	111.3	M306 T321 M322 R327 L328 Y329 I334 P337 L408	M306-A325 HydrophobicContact CE-CB 3.92Å; M306-A325 HydrophobicContact SD-CB 3.95Å; T321-A325 WeakPolarHBondContact O-CB 3.47Å; T321-A325 PolarHBondContact O-N 3.02Å; M322-A325 PolarHBondContact O-N 3.29Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 3.38Å; A325-L328 WeakPolarHBondContact O-CB 3.27Å; A325-L328 PolarHBondContact O-N 2.93Å; A325-Y329 PolarHBondContact O-N 3.12Å; A325-I334 HydrophobicContact CB-CD1 4.22Å; A325-I334 WeakPolarHBondContact O-CD1 3.33Å; A325-P337 HydrophobicContact CB-CB 3.56Å; A325-P337 HydrophobicContact CB-CG 3.94Å; A325-L408 HydrophobicContact CB-CD2 4.01Å
326	E	95.9	Very high	96.7	Very high	30 Å²	30	25.2 Å²	25.2	14%	0.14	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-42.1	173.6	-77.1	178.4	-152.6	0	0	111.7	K10 M322 I324 Y329 T330 P337 R338	K10-E326 IonicContact NZ-OE2 3.56Å; K10-E326 PolarHBondContact NZ-OE2 2.91Å; M322-E326 WeakPolarHBondContact O-CB 3.14Å; M322-E326 WeakPolarHBondContact O-CG 3.44Å; M322-E326 PolarHBondContact O-N 3.41Å; M322-E326 HydrophobicContact SD-CG 4.42Å; I324-E326 PolarHBondContact O-N 3.23Å; E326-Y329 PolarHBondContact O-N 3.2Å; E326-T330 WeakPolarHBondContact O-CG2 3.31Å; E326-T330 PolarHBondContact O-N 3.02Å; E326-T330 PolarHBondContact O-OG1 3.48Å; E326-P337 HydrophobicContact CG-CG 4.25Å; E326-R338 IonicContact OE1-CZ 2.7Å; E326-R338 IonicContact OE1-NE 2.71Å; E326-R338 PolarHBondContact OE1-NE 3.41Å; E326-R338 IonicContact OE1-NH2 3.84Å; E326-R338 PolarHBondContact OE1-NH2 2.94Å
327	R	95.4	Very high	96.8	Very high	110 Å²	110	25 Å²	25	42%	0.415	12%	0.121	S	C	.	.	H	α-helix	trans	-61.5	-46.3	175.5	-173.6	178.6	69.3	-152.3	1.9	111.5	Q323 I324 A325 Y329 T330 Q331	Q323-R327 WeakPolarHBondContact O-CB 3.39Å; Q323-R327 PolarHBondContact O-N 3.34Å; Q323-R327 VanDerWaalsContact O-N 3.09Å; I324-R327 WeakPolarHBondContact O-CB 3.43Å; I324-R327 PolarHBondContact O-N 3Å; I324-R327 VanDerWaalsContact O-N 3.12Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 3.38Å; R327-Y329 VanDerWaalsContact C-N 3.29Å; R327-Y329 PolarHBondContact O-N 3.01Å; R327-T330 PolarHBondContact O-N 2.86Å; R327-T330 PolarHBondContact O-OG1 3.44Å; R327-Q331 WeakPolarHBondContact O-CB 3.35Å; R327-Q331 VanDerWaalsContact O-CG 3.3Å; R327-Q331 WeakPolarHBondContact O-CG 3.4Å; R327-Q331 PolarHBondContact O-N 3.26Å; R327-Q331 VanDerWaalsContact O-N 3.07Å
328	L	97.6	Very high	96.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-41.7	176.5	-68.2	173	0	0	0	111.4	I324 A325 Q331 G332 Y333 I334 L401 L408	I324-L328 HydrophobicContact CG2-CD1 4.2Å; I324-L328 HydrophobicContact CG2-CG 4.38Å; I324-L328 WeakPolarHBondContact O-CG 3.17Å; I324-L328 PolarHBondContact O-N 3.18Å; A325-L328 WeakPolarHBondContact O-CB 3.27Å; A325-L328 PolarHBondContact O-N 2.93Å; L328-Q331 CarbonylContact O-C 3.54Å; L328-Q331 PolarHBondContact O-N 2.8Å; L328-G332 PolarHBondContact O-N 2.81Å; L328-Y333 HydrophobicContact CD2-CD2 4.23Å; L328-Y333 PolarHBondContact O-N 2.99Å; L328-I334 HydrophobicContact CB-CD1 3.89Å; L328-I334 HydrophobicContact CB-CG1 3.77Å; L328-I334 HydrophobicContact CB-CG2 4.42Å; L328-I334 HydrophobicContact CD1-CD1 4.43Å; L328-L401 HydrophobicContact CD2-CD1 3.8Å; L328-L401 HydrophobicContact CD2-CD2 3.77Å; L328-L401 HydrophobicContact CD2-CG 4.35Å; L328-L408 HydrophobicContact CD1-CB 4.48Å; L328-L408 HydrophobicContact CD1-CD2 4.39Å; L328-L408 HydrophobicContact CD1-CG 4.43Å
329	Y	97	Very high	96.6	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-50.1	175.1	157.9	-103	0	0	0	112.4	L13 D117 F152 I155 A325 E326 R327 Q331 G332 Y336	L13-Y329 HydrophobicContact CD1-CE1 4.46Å; L13-Y329 HydrophobicContact CD2-CE1 4.13Å; D117-Y329 VanDerWaalsContact OD1-CE1 3.26Å; D117-Y329 WeakPolarHBondContact OD1-CE1 3.2Å; D117-Y329 PolarHBondContact OD1-OH 2.98Å; F152-Y329 WeakPolarHBondContact CE2-OH 3.33Å; I155-Y329 HydrophobicContact CD1-CE2 4.04Å; I155-Y329 HydrophobicContact CG1-CD2 4.48Å; I155-Y329 HydrophobicContact CG1-CE2 4.02Å; A325-Y329 PolarHBondContact O-N 3.12Å; E326-Y329 PolarHBondContact O-N 3.2Å; R327-Y329 VanDerWaalsContact C-N 3.29Å; R327-Y329 PolarHBondContact O-N 3.01Å; Y329-Q331 PolarHBondContact O-N 3.4Å; Y329-Q331 VanDerWaalsContact O-N 3.13Å; Y329-G332 WeakPolarHBondContact O-CA 3.26Å; Y329-G332 PolarHBondContact O-N 3.04Å; Y329-Y336 AromaticContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CE2 4.29Å; Y329-Y336 HydrophobicContact CD2-CD2 4.05Å; Y329-Y336 AromaticContact CE1-CD2 3.6Å; Y329-Y336 HydrophobicContact CE1-CD2 3.6Å; Y329-Y336 AromaticContact CE1-CE2 3.87Å; Y329-Y336 HydrophobicContact CE1-CE2 3.87Å; Y329-Y336 AromaticContact CE2-CD2 3.73Å; Y329-Y336 HydrophobicContact CE2-CD2 3.73Å; Y329-Y336 HydrophobicContact CE2-CG 4.4Å; Y329-Y336 HydrophobicContact CG-CD2 4.11Å; Y329-Y336 AromaticContact CZ-CD2 3.48Å; Y329-Y336 VanDerWaalsContact CZ-CD2 3.48Å
330	T	91.5	Very high	96.4	Very high	13 Å²	13	28.1 Å²	28.1	8%	0.08	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-22.2	179.3	59	0	0	0	0	113.2	K10 L13 E326 R327	K10-T330 HydrophobicContact CD-CG2 4.35Å; L13-T330 HydrophobicContact CD1-CG2 4.21Å; L13-T330 HydrophobicContact CD2-CG2 3.83Å; L13-T330 HydrophobicContact CG-CG2 3.86Å; E326-T330 WeakPolarHBondContact O-CG2 3.31Å; E326-T330 PolarHBondContact O-N 3.02Å; E326-T330 PolarHBondContact O-OG1 3.48Å; R327-T330 PolarHBondContact O-N 2.86Å; R327-T330 PolarHBondContact O-OG1 3.44Å
331	Q	92.9	Very high	96.3	Very high	82 Å²	82	24.5 Å²	24.5	38%	0.383	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	2.6	173.4	-67.7	175.2	-14.4	0	0	113.1	R327 L328 Y329 Y333 R394	R327-Q331 WeakPolarHBondContact O-CB 3.35Å; R327-Q331 VanDerWaalsContact O-CG 3.3Å; R327-Q331 WeakPolarHBondContact O-CG 3.4Å; R327-Q331 PolarHBondContact O-N 3.26Å; R327-Q331 VanDerWaalsContact O-N 3.07Å; L328-Q331 CarbonylContact O-C 3.54Å; L328-Q331 PolarHBondContact O-N 2.8Å; Y329-Q331 PolarHBondContact O-N 3.4Å; Y329-Q331 VanDerWaalsContact O-N 3.13Å; Q331-Y333 HydrophobicContact CB-CD2 3.58Å; Q331-Y333 HydrophobicContact CB-CE2 3.7Å; Q331-Y333 PolarHBondContact O-N 2.97Å; Q331-R394 PolarHBondContact O-NH2 3.26Å
332	G	94.7	Very high	96.3	Very high	7 Å²	7	25.3 Å²	25.3	7%	0.072	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	17.4	177.2	0	0	0	0	0	115.2	L328 Y329 R394	L328-G332 PolarHBondContact O-N 2.81Å; Y329-G332 WeakPolarHBondContact O-CA 3.26Å; Y329-G332 PolarHBondContact O-N 3.04Å; G332-R394 WeakPolarHBondContact O-CB 3.16Å
333	Y	96.9	Very high	96.2	Very high	16 Å²	16	27.5 Å²	27.5	6%	0.063	13%	0.126	C	C	.	.	S	Bend	trans	-83.7	-29.5	178.8	-69.2	-68.5	0	0	0	113.6	L328 Q331 P392 M393 R394 A396 E400 L401	L328-Y333 HydrophobicContact CD2-CD2 4.23Å; L328-Y333 PolarHBondContact O-N 2.99Å; Q331-Y333 HydrophobicContact CB-CD2 3.58Å; Q331-Y333 HydrophobicContact CB-CE2 3.7Å; Q331-Y333 PolarHBondContact O-N 2.97Å; Y333-P392 CarbonylContact O-C 3.59Å; Y333-P392 WeakPolarHBondContact O-CA 3.47Å; Y333-M393 PolarHBondContact O-N 3.29Å; Y333-R394 HydrophobicContact CD1-CB 4.25Å; Y333-R394 HydrophobicContact CD1-CG 4.47Å; Y333-R394 PolarHBondContact OH-NH2 3.22Å; Y333-A396 HydrophobicContact CD1-CB 3.61Å; Y333-A396 HydrophobicContact CE1-CB 3.46Å; Y333-A396 VanDerWaalsContact CE1-CB 3.46Å; Y333-E400 PolarHBondContact OH-OE2 3.24Å; Y333-L401 HydrophobicContact CD1-CD2 4.47Å; Y333-L401 HydrophobicContact CD2-CD2 3.55Å; Y333-L401 HydrophobicContact CE1-CD2 4.21Å; Y333-L401 HydrophobicContact CE2-CD2 3.21Å; Y333-L401 HydrophobicContact CG-CD2 4.16Å
334	I	98.6	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-133.6	161.4	178.9	65.3	170.6	0	0	0	111.4	A325 L328 P337 I390 T391 Y409 I412	A325-I334 HydrophobicContact CB-CD1 4.22Å; A325-I334 WeakPolarHBondContact O-CD1 3.33Å; L328-I334 HydrophobicContact CB-CD1 3.89Å; L328-I334 HydrophobicContact CB-CG1 3.77Å; L328-I334 HydrophobicContact CB-CG2 4.42Å; L328-I334 HydrophobicContact CD1-CD1 4.43Å; I334-P337 HydrophobicContact CD1-CB 4.23Å; I334-I390 HydrophobicContact CD1-CG2 4.17Å; I334-T391 CarbonylContact C-O 3.55Å; I334-T391 WeakPolarHBondContact CA-O 3.48Å; I334-Y409 HydrophobicContact CG2-CD2 4.15Å; I334-I412 HydrophobicContact CD1-CD1 3.92Å; I334-I412 HydrophobicContact CG2-CD1 4.13Å; I334-I412 HydrophobicContact CG2-CG2 4.08Å
335	S	97.9	Very high	95.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	-68	169.7	166.1	58.7	0	0	0	0	110.8	S153 P389 I390 T391 M393	S153-S335 CarbonylContact O-C 3.54Å; S153-S335 WeakPolarHBondContact O-CA 3.17Å; S335-P389 PolarHBondContact OG-O 3.39Å; S335-I390 WeakPolarHBondContact OG-CA 3.06Å; S335-T391 PolarHBondContact N-O 3.02Å; S335-T391 PolarHBondContact OG-N 3.32Å; S335-T391 PolarHBondContact OG-OG1 3.06Å; S335-M393 VanDerWaalsContact N-CG 3.33Å
336	Y	97.7	Very high	95.1	Very high	6 Å²	6	36.6 Å²	36.6	2%	0.024	17%	0.168	C	C	.	.			trans	-57.2	124.2	-175.3	-167	-115.2	0	0	0	111.9	D117 D119 S153 Y329 R338 H387	D117-Y336 HydrophobicContact CB-CE2 3.66Å; D119-Y336 HydrophobicContact CB-CE1 3.97Å; D119-Y336 PolarHBondContact OD2-OH 3.46Å; S153-Y336 PolarHBondContact O-N 3.35Å; Y329-Y336 AromaticContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CD2 3.92Å; Y329-Y336 HydrophobicContact CD1-CE2 4.29Å; Y329-Y336 HydrophobicContact CD2-CD2 4.05Å; Y329-Y336 AromaticContact CE1-CD2 3.6Å; Y329-Y336 HydrophobicContact CE1-CD2 3.6Å; Y329-Y336 AromaticContact CE1-CE2 3.87Å; Y329-Y336 HydrophobicContact CE1-CE2 3.87Å; Y329-Y336 AromaticContact CE2-CD2 3.73Å; Y329-Y336 HydrophobicContact CE2-CD2 3.73Å; Y329-Y336 HydrophobicContact CE2-CG 4.4Å; Y329-Y336 HydrophobicContact CG-CD2 4.11Å; Y329-Y336 AromaticContact CZ-CD2 3.48Å; Y329-Y336 VanDerWaalsContact CZ-CD2 3.48Å; Y336-R338 VanDerWaalsContact C-N 3.28Å; Y336-R338 HydrophobicContact CD1-CB 4.07Å; Y336-R338 HydrophobicContact CE1-CB 3.59Å; Y336-R338 HydrophobicContact CE1-CG 4.24Å; Y336-R338 PolarHBondContact O-N 2.97Å; Y336-H387 AromaticContact CD1-CD2 3.51Å; Y336-H387 AromaticContact CD1-CE1 3.59Å; Y336-H387 AromaticContact CD1-NE2 3.16Å; Y336-H387 WeakPolarHBondContact CD1-NE2 3.43Å; Y336-H387 AromaticContact CE1-NE2 3.6Å; Y336-H387 AromaticContact CG-CE1 3.98Å; Y336-H387 AromaticContact CG-NE2 4Å
337	P	97.8	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-86.5	6.5	-165.7	34.9	-37.8	0	0	0	114.4	T303 M306 M322 A325 E326 I334 I390	T303-P337 PolarHBondContact OG1-O 3.41Å; M306-P337 HydrophobicContact CE-CB 4.3Å; M322-P337 HydrophobicContact SD-CB 4.45Å; M322-P337 HydrophobicContact SD-CG 4.26Å; A325-P337 HydrophobicContact CB-CB 3.56Å; A325-P337 HydrophobicContact CB-CG 3.94Å; E326-P337 HydrophobicContact CG-CG 4.25Å; I334-P337 HydrophobicContact CD1-CB 4.23Å; P337-I390 HydrophobicContact CB-CD1 4.37Å
338	R	96.4	Very high	94.4	Very high	59 Å²	59	38.6 Å²	38.6	22%	0.223	19%	0.186	C	C	.	.			trans	-113.5	85.7	177.7	-59.7	-179.9	177.4	-153.5	0	109	D119 T303 M322 E326 Y336 A512	D119-R338 IonicContact OD2-NH1 3.96Å; T303-R338 VanDerWaalsContact OG1-CA 3.23Å; T303-R338 WeakPolarHBondContact OG1-CA 3.25Å; M322-R338 HydrophobicContact CE-CG 4.16Å; M322-R338 HydrophobicContact SD-CG 3.81Å; E326-R338 IonicContact OE1-CZ 2.7Å; E326-R338 IonicContact OE1-NE 2.71Å; E326-R338 PolarHBondContact OE1-NE 3.41Å; E326-R338 IonicContact OE1-NH2 3.84Å; E326-R338 PolarHBondContact OE1-NH2 2.94Å; Y336-R338 VanDerWaalsContact C-N 3.28Å; Y336-R338 HydrophobicContact CD1-CB 4.07Å; Y336-R338 HydrophobicContact CE1-CB 3.59Å; Y336-R338 HydrophobicContact CE1-CG 4.24Å; Y336-R338 PolarHBondContact O-N 2.97Å; R338-A512 HydrophobicContact CB-CB 3.73Å; R338-A512 HydrophobicContact CG-CB 3.74Å
339	T	94.9	Very high	94.2	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	21%	0.213	C	C	.	.			trans	-146.5	141.4	-178.7	179.3	0	0	0	0	111.1	N302 T303 T341 D386 H387 I390	N302-T339 WeakPolarHBondContact CB-O 3.2Å; T303-T339 PolarHBondContact N-O 2.9Å; T303-T339 PolarHBondContact OG1-N 3.02Å; T303-T339 PolarHBondContact OG1-O 2.89Å; T303-T339 VanDerWaalsContact OG1-O 3.1Å; T339-T341 WeakPolarHBondContact OG1-CB 3.16Å; T339-T341 PolarHBondContact OG1-N 2.76Å; T339-D386 VanDerWaalsContact CA-OD2 3.28Å; T339-D386 WeakPolarHBondContact CA-OD2 3.47Å; T339-D386 PolarHBondContact OG1-OD1 2.99Å; T339-D386 PolarHBondContact OG1-OD2 3.1Å; T339-H387 PolarHBondContact OG1-O 3.26Å; T339-I390 HydrophobicContact CG2-CD1 4.45Å; T339-I390 HydrophobicContact CG2-CG1 3.73Å
340	E	93.1	Very high	94.2	Very high	74 Å²	74	44.8 Å²	44.8	35%	0.346	22%	0.219	S	C	.	.			trans	-92.2	-10.2	170	-65.8	-174	-171.6	0	0	112.5	A384 D386	E340-A384 HydrophobicContact CB-CB 3.68Å; E340-D386 PolarHBondContact N-OD2 3.45Å
341	T	95.4	Very high	94.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.			trans	-71.8	133.8	-175.2	-68.6	0	0	0	0	112	T339 I343 K382 A384 D386 H387 P389	T339-T341 WeakPolarHBondContact OG1-CB 3.16Å; T339-T341 PolarHBondContact OG1-N 2.76Å; T341-I343 HydrophobicContact CG2-CG2 4.03Å; T341-I343 VanDerWaalsContact CG2-O 3.32Å; T341-I343 WeakPolarHBondContact CG2-O 3.17Å; T341-K382 WeakPolarHBondContact CA-O 3.43Å; T341-A384 WeakPolarHBondContact OG1-CB 3.31Å; T341-A384 PolarHBondContact OG1-N 2.92Å; T341-D386 WeakPolarHBondContact CB-OD1 3.15Å; T341-D386 PolarHBondContact OG1-OD1 2.83Å; T341-H387 WeakPolarHBondContact CB-O 3.39Å; T341-H387 WeakPolarHBondContact CG2-O 3.35Å; T341-H387 PolarHBondContact OG1-O 3.04Å; T341-P389 HydrophobicContact CG2-CG 4.22Å
342	T	96.8	Very high	94.4	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.098	23%	0.227	C	C	.	.			trans	-124.5	17.8	-179.4	50.2	0	0	0	0	112.1	A300 N302 G381 K382	A300-T342 WeakPolarHBondContact CB-O 3.25Å; N302-T342 HydrophobicContact CB-CG2 3.71Å; T342-G381 WeakPolarHBondContact O-CA 3.29Å; T342-K382 PolarHBondContact N-O 3.3Å; T342-K382 PolarHBondContact OG1-N 2.94Å; T342-K382 PolarHBondContact OG1-O 3.19Å
343	I	96.3	Very high	94.5	Very high	49 Å²	49	46.3 Å²	46.3	25%	0.251	23%	0.227	S	C	.	.	S	Bend	trans	-127.3	138.2	176.9	-170.5	169.6	0	0	0	110.8	T341 D383 P389	T341-I343 HydrophobicContact CG2-CG2 4.03Å; T341-I343 VanDerWaalsContact CG2-O 3.32Å; T341-I343 WeakPolarHBondContact CG2-O 3.17Å; I343-D383 HydrophobicContact CG2-CB 3.68Å; I343-P389 WeakPolarHBondContact O-CD 3.37Å; I343-P389 VanDerWaalsContact O-CG 3.3Å; I343-P389 WeakPolarHBondContact O-CG 3.3Å
344	Y	94.8	Very high	94.5	Very high	22 Å²	22	45.6 Å²	45.6	9%	0.086	22%	0.224	C	C	.	.			trans	-82.2	128.3	170.1	-60.1	-68.4	0	0	0	109.7	A300 F348 L350 P378 P389 T391 T419	A300-Y344 HydrophobicContact CB-CD2 4.05Å; A300-Y344 HydrophobicContact CB-CE1 4.15Å; A300-Y344 HydrophobicContact CB-CE2 3.45Å; A300-Y344 VanDerWaalsContact CB-CE2 3.45Å; A300-Y344 VanDerWaalsContact CB-CZ 3.5Å; Y344-F348 HydrophobicContact CD1-CD1 4.38Å; Y344-L350 HydrophobicContact CD1-CD2 4.01Å; Y344-L350 HydrophobicContact CD2-CD2 3.94Å; Y344-L350 HydrophobicContact CE1-CD2 4.42Å; Y344-L350 HydrophobicContact CE2-CD2 4.3Å; Y344-L350 HydrophobicContact CG-CD2 3.76Å; Y344-P378 HydrophobicContact CD2-CB 3.56Å; Y344-P378 HydrophobicContact CD2-CG 3.58Å; Y344-P378 HydrophobicContact CE2-CB 3.94Å; Y344-P378 HydrophobicContact CE2-CG 4.05Å; Y344-P389 HydrophobicContact CD1-CB 4.33Å; Y344-P389 HydrophobicContact CD1-CG 3.8Å; Y344-P389 HydrophobicContact CE1-CB 3.74Å; Y344-P389 HydrophobicContact CE1-CG 3.71Å; Y344-P389 HydrophobicContact CG-CG 4.4Å; Y344-T391 HydrophobicContact CD1-CG2 4.35Å; Y344-T391 HydrophobicContact CE1-CG2 3.36Å; Y344-T419 PolarHBondContact OH-OG1 3.13Å
345	H	89.3	Confident	94.4	Very high	69 Å²	69	51 Å²	51	32%	0.319	25%	0.248	S	C	.	.			trans	-64.6	151.9	173.6	-63.2	-75.4	0	0	0	111.4	N347 F348 D383	H345-N347 WeakPolarHBondContact CB-OD1 3.42Å; H345-N347 PolarHBondContact O-N 2.76Å; H345-N347 VanDerWaalsContact O-N 3.12Å; H345-F348 VanDerWaalsContact O-CB 3.27Å; H345-F348 WeakPolarHBondContact O-CB 3.16Å; H345-F348 PolarHBondContact O-N 2.91Å; H345-D383 IonicContact CE1-OD1 2.69Å; H345-D383 IonicContact CE1-OD2 2.89Å; H345-D383 PolarHBondContact CE1-OD2 3.07Å; H345-D383 VanDerWaalsContact CE1-OD2 3.26Å; H345-D383 IonicContact ND1-OD2 2.85Å
346	E	86.1	Confident	94.2	Very high	208 Å²	208	54.7 Å²	54.7	97%	0.972	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.3	-176.5	-63.8	-173.6	165.1	0	0	113.7
347	N	86.1	Confident	94.2	Very high	145 Å²	145	54.4 Å²	54.4	78%	0.775	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.9	178.3	63.7	-11.6	0	0	0	114.1	H345	H345-N347 WeakPolarHBondContact CB-OD1 3.42Å; H345-N347 PolarHBondContact O-N 2.76Å; H345-N347 VanDerWaalsContact O-N 3.12Å
348	F	90.4	Very high	94.1	Very high	37 Å²	37	56.9 Å²	56.9	16%	0.162	28%	0.276	C	S	.	.	S	Bend	trans	-76.4	123.7	179.3	-168.7	-82.9	0	0	0	110.7	Y344 H345 L350 P388 T391 M393	Y344-F348 HydrophobicContact CD1-CD1 4.38Å; H345-F348 VanDerWaalsContact O-CB 3.27Å; H345-F348 WeakPolarHBondContact O-CB 3.16Å; H345-F348 PolarHBondContact O-N 2.91Å; F348-L350 VanDerWaalsContact C-N 3.29Å; F348-L350 HydrophobicContact CD1-CD2 3.63Å; F348-L350 HydrophobicContact CD1-CG 3.96Å; F348-L350 HydrophobicContact CE1-CD2 3.97Å; F348-L350 PolarHBondContact O-N 3.44Å; F348-P388 HydrophobicContact CD2-CB 4.3Å; F348-P388 HydrophobicContact CE2-CB 4.27Å; F348-T391 HydrophobicContact CZ-CG2 4.09Å; F348-M393 HydrophobicContact CZ-SD 4.41Å
349	D	94	Very high	93.9	Very high	106 Å²	106	61 Å²	61	57%	0.567	30%	0.302	S	S	*	.			trans	-77.8	74.6	-179.7	-176	13.7	0	0	0	112.4	K351 G352 T353	D349-K351 PolarHBondContact O-N 3.3Å; D349-K351 PolarHBondContact OD1-N 2.91Å; D349-G352 VanDerWaalsContact CG-N 3.31Å; D349-G352 PolarHBondContact O-N 2.96Å; D349-G352 PolarHBondContact OD1-N 2.96Å; D349-G352 VanDerWaalsContact OD2-CA 3.3Å; D349-G352 WeakPolarHBondContact OD2-CA 3.46Å; D349-G352 PolarHBondContact OD2-N 3.36Å; D349-T353 PolarHBondContact O-N 3.48Å; D349-T353 PolarHBondContact O-OG1 2.96Å
350	L	95.8	Very high	93.8	Very high	25 Å²	25	61.7 Å²	61.7	13%	0.131	31%	0.306	C	S	.	.	H	α-helix	trans	-55.1	-37.8	177.6	-66.7	169.4	0	0	0	112.3	Y344 F348 L354 I375 P378 F416 V420	Y344-L350 HydrophobicContact CD1-CD2 4.01Å; Y344-L350 HydrophobicContact CD2-CD2 3.94Å; Y344-L350 HydrophobicContact CE1-CD2 4.42Å; Y344-L350 HydrophobicContact CE2-CD2 4.3Å; Y344-L350 HydrophobicContact CG-CD2 3.76Å; F348-L350 VanDerWaalsContact C-N 3.29Å; F348-L350 HydrophobicContact CD1-CD2 3.63Å; F348-L350 HydrophobicContact CD1-CG 3.96Å; F348-L350 HydrophobicContact CE1-CD2 3.97Å; F348-L350 PolarHBondContact O-N 3.44Å; L350-L354 WeakPolarHBondContact O-CB 3.33Å; L350-L354 PolarHBondContact O-N 3.12Å; L350-I375 HydrophobicContact CB-CD1 3.89Å; L350-P378 HydrophobicContact CD1-CG 3.62Å; L350-P378 HydrophobicContact CD2-CG 4.41Å; L350-F416 HydrophobicContact CD2-CE2 3.93Å; L350-F416 HydrophobicContact CD2-CZ 4.44Å; L350-V420 HydrophobicContact CD1-CG1 4.47Å; L350-V420 HydrophobicContact CD2-CG1 4.22Å
351	K	95.6	Very high	93.8	Very high	106 Å²	106	64.8 Å²	64.8	46%	0.461	33%	0.33	S	S	.	.	H	α-helix	trans	-72	-42.1	-177.6	-170.2	175.4	-174.5	173	0	111	D349 L354 K355 L371 I375	D349-K351 PolarHBondContact O-N 3.3Å; D349-K351 PolarHBondContact OD1-N 2.91Å; K351-L354 PolarHBondContact O-N 3.31Å; K351-K355 WeakPolarHBondContact O-CB 3.49Å; K351-K355 VanDerWaalsContact O-CG 3.29Å; K351-K355 WeakPolarHBondContact O-CG 3.31Å; K351-K355 PolarHBondContact O-N 3.13Å; K351-L371 HydrophobicContact CG-CD2 4.03Å; K351-I375 HydrophobicContact CB-CD1 4.35Å
352	G	95	Very high	93.8	Very high	18 Å²	18	67.8 Å²	67.8	19%	0.186	35%	0.346	C	S	.	.	H	α-helix	trans	-60	-48	172.9	0	0	0	0	0	111.7	D349 L354 K355 Q356	D349-G352 VanDerWaalsContact CG-N 3.31Å; D349-G352 PolarHBondContact O-N 2.96Å; D349-G352 PolarHBondContact OD1-N 2.96Å; D349-G352 VanDerWaalsContact OD2-CA 3.3Å; D349-G352 WeakPolarHBondContact OD2-CA 3.46Å; D349-G352 PolarHBondContact OD2-N 3.36Å; G352-L354 PolarHBondContact O-N 3.43Å; G352-K355 WeakPolarHBondContact O-CB 3.44Å; G352-K355 PolarHBondContact O-N 3.36Å; G352-Q356 PolarHBondContact O-N 3.24Å
353	T	95.4	Very high	93.7	Very high	11 Å²	11	67 Å²	67	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-59.9	-44.1	176.7	-59.6	0	0	0	0	112.3	D349 Q356 P392 F416	D349-T353 PolarHBondContact O-N 3.48Å; D349-T353 PolarHBondContact O-OG1 2.96Å; T353-Q356 PolarHBondContact O-N 2.97Å; T353-P392 HydrophobicContact CG2-CG 4.32Å; T353-P392 WeakPolarHBondContact CG2-O 3.38Å; T353-F416 HydrophobicContact CG2-CD1 4.34Å; T353-F416 HydrophobicContact CG2-CE1 3.65Å; T353-F416 HydrophobicContact CG2-CE2 4.14Å; T353-F416 HydrophobicContact CG2-CZ 3.53Å
354	L	96.9	Very high	93.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-41.6	176.1	-177.1	63	0	0	0	112.2	L350 K351 G352 Q356 Q357 V367 L370 L371 I375 F416 I417 V420	L350-L354 WeakPolarHBondContact O-CB 3.33Å; L350-L354 PolarHBondContact O-N 3.12Å; K351-L354 PolarHBondContact O-N 3.31Å; G352-L354 PolarHBondContact O-N 3.43Å; L354-Q356 PolarHBondContact O-N 3.18Å; L354-Q357 PolarHBondContact O-N 3.4Å; L354-V367 HydrophobicContact CD1-CB 4.45Å; L354-V367 HydrophobicContact CD1-CG1 4.01Å; L354-V367 HydrophobicContact CD1-CG2 3.93Å; L354-V367 HydrophobicContact CG-CG1 4.07Å; L354-V367 WeakPolarHBondContact O-CG1 3.45Å; L354-L370 HydrophobicContact CD1-CD2 4.45Å; L354-L370 HydrophobicContact CD2-CB 4.45Å; L354-L370 HydrophobicContact CD2-CD2 3.79Å; L354-L370 HydrophobicContact CD2-CG 4.07Å; L354-L371 HydrophobicContact CD2-CD2 3.79Å; L354-L371 HydrophobicContact CD2-CG 3.95Å; L354-L371 HydrophobicContact CG-CD2 4.19Å; L354-L371 HydrophobicContact CG-CG 4.26Å; L354-I375 HydrophobicContact CD2-CG2 3.44Å; L354-I375 VanDerWaalsContact CD2-CG2 3.44Å; L354-F416 HydrophobicContact CB-CE1 4.22Å; L354-F416 HydrophobicContact CD1-CE1 4.41Å; L354-I417 HydrophobicContact CD1-CG1 4.02Å; L354-I417 HydrophobicContact CD1-CG2 4.47Å; L354-V420 HydrophobicContact CD1-CG2 4.42Å; L354-V420 HydrophobicContact CD2-CG2 4.41Å
355	K	96.3	Very high	93.7	Very high	114 Å²	114	71.7 Å²	71.7	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-32.1	178.1	-81.6	175.6	176.2	-176.9	0	113.3	K351 G352 Q357 I358 L371	K351-K355 WeakPolarHBondContact O-CB 3.49Å; K351-K355 VanDerWaalsContact O-CG 3.29Å; K351-K355 WeakPolarHBondContact O-CG 3.31Å; K351-K355 PolarHBondContact O-N 3.13Å; G352-K355 WeakPolarHBondContact O-CB 3.44Å; G352-K355 PolarHBondContact O-N 3.36Å; K355-Q357 PolarHBondContact O-N 3.42Å; K355-Q357 VanDerWaalsContact O-N 3.17Å; K355-I358 WeakPolarHBondContact O-CB 3.5Å; K355-I358 WeakPolarHBondContact O-CG2 3.45Å; K355-I358 PolarHBondContact O-N 3.14Å; K355-L371 HydrophobicContact CG-CD1 3.86Å; K355-L371 HydrophobicContact CG-CD2 4Å
356	Q	95.2	Very high	93.9	Very high	81 Å²	81	71.2 Å²	71.2	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-60.4	-25.8	177	-66.1	-178.9	-3.3	0	0	112.4	G352 T353 L354 M393 R394 S395	G352-Q356 PolarHBondContact O-N 3.24Å; T353-Q356 PolarHBondContact O-N 2.97Å; L354-Q356 PolarHBondContact O-N 3.18Å; Q356-M393 PolarHBondContact NE2-O 3.2Å; Q356-M393 PolarHBondContact OE1-O 2.79Å; Q356-R394 VanDerWaalsContact OE1-CA 3.29Å; Q356-S395 WeakPolarHBondContact O-CB 3.41Å
357	Q	96.9	Very high	94.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.3	-176.3	-54.2	-54.3	-38.3	0	0	113.9	L354 K355 N359 N360 V367 Y409 T413	L354-Q357 PolarHBondContact O-N 3.4Å; K355-Q357 PolarHBondContact O-N 3.42Å; K355-Q357 VanDerWaalsContact O-N 3.17Å; Q357-N359 VanDerWaalsContact C-N 3.26Å; Q357-N359 PolarHBondContact O-N 3.47Å; Q357-N360 PolarHBondContact O-N 2.85Å; Q357-V367 HydrophobicContact CB-CG2 4.19Å; Q357-Y409 PolarHBondContact NE2-OH 2.7Å; Q357-Y409 PolarHBondContact OE1-OH 2.98Å; Q357-Y409 VanDerWaalsContact OE1-OH 3.09Å; Q357-T413 HydrophobicContact CG-CG2 3.93Å
358	I	95.4	Very high	94.9	Very high	52 Å²	52	59.7 Å²	59.7	27%	0.267	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-23	-170.6	-159.2	171.9	0	0	0	115	K355 A364 V367 K368 L371	K355-I358 WeakPolarHBondContact O-CB 3.5Å; K355-I358 WeakPolarHBondContact O-CG2 3.45Å; K355-I358 PolarHBondContact O-N 3.14Å; I358-A364 WeakPolarHBondContact O-CB 3.5Å; I358-V367 HydrophobicContact CB-CG1 4.19Å; I358-V367 HydrophobicContact CG1-CG1 4.36Å; I358-K368 HydrophobicContact CD1-CG 4.02Å; I358-K368 HydrophobicContact CG1-CD 4.45Å; I358-K368 HydrophobicContact CG1-CG 3.62Å; I358-L371 HydrophobicContact CD1-CD1 4.1Å
359	N	92.9	Very high	95.1	Very high	144 Å²	144	60.1 Å²	60.1	77%	0.77	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	2.1	-176.3	-66.8	-33.7	0	0	0	113.2	Q357	Q357-N359 VanDerWaalsContact C-N 3.26Å; Q357-N359 PolarHBondContact O-N 3.47Å
360	N	93.3	Very high	95.1	Very high	18 Å²	18	55.8 Å²	55.8	10%	0.096	29%	0.29	C	S	.	.			trans	-77.6	129.6	-179.8	-173.1	-75.6	0	0	0	110.9	Q357 I362 W363 A364 A396	Q357-N360 PolarHBondContact O-N 2.85Å; N360-I362 PolarHBondContact O-N 3.13Å; N360-I362 VanDerWaalsContact O-N 3.08Å; N360-I362 WeakPolarHBondContact OD1-CB 3.17Å; N360-I362 PolarHBondContact OD1-N 2.87Å; N360-W363 HydrophobicContact CB-CD2 4.47Å; N360-W363 HydrophobicContact CB-CZ2 4.12Å; N360-W363 VanDerWaalsContact CB-NE1 3.29Å; N360-W363 VanDerWaalsContact CG-CE2 3.41Å; N360-W363 VanDerWaalsContact CG-CZ2 3.44Å; N360-W363 PolarHBondContact O-N 2.91Å; N360-A364 WeakPolarHBondContact O-CA 3.33Å; N360-A364 WeakPolarHBondContact O-CB 3.34Å; N360-A364 PolarHBondContact O-N 3.18Å; N360-A396 PolarHBondContact ND2-O 3.47Å
361	T	92.1	Very high	95.1	Very high	139 Å²	139	56.2 Å²	56.2	85%	0.853	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.8	-173.9	51	0	0	0	0	114.8
362	I	94.4	Very high	95	Very high	63 Å²	63	55.9 Å²	55.9	32%	0.323	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-32.4	-172.8	-57.6	-169.7	0	0	0	112.9	N360 W406	N360-I362 PolarHBondContact O-N 3.13Å; N360-I362 VanDerWaalsContact O-N 3.08Å; N360-I362 WeakPolarHBondContact OD1-CB 3.17Å; N360-I362 PolarHBondContact OD1-N 2.87Å; I362-W406 HydrophobicContact CD1-CZ2 3.68Å
363	W	96.1	Very high	94.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	11.8	-175	49	69.7	0	0	0	113.6	N360 E365 E366 V367 W406 Y409 E410 T413 R414 I417 V455	N360-W363 HydrophobicContact CB-CD2 4.47Å; N360-W363 HydrophobicContact CB-CZ2 4.12Å; N360-W363 VanDerWaalsContact CB-NE1 3.29Å; N360-W363 VanDerWaalsContact CG-CE2 3.41Å; N360-W363 VanDerWaalsContact CG-CZ2 3.44Å; N360-W363 PolarHBondContact O-N 2.91Å; W363-E365 VanDerWaalsContact C-N 3.26Å; W363-E365 PolarHBondContact O-N 2.9Å; W363-E366 WeakPolarHBondContact CA-OE2 3.49Å; W363-E366 PolarHBondContact O-N 3.29Å; W363-V367 WeakPolarHBondContact O-CB 3.42Å; W363-V367 VanDerWaalsContact O-CG2 3.26Å; W363-V367 WeakPolarHBondContact O-CG2 3.21Å; W363-V367 PolarHBondContact O-N 3.07Å; W363-W406 AromaticContact CH2-CH2 3.91Å; W363-W406 HydrophobicContact CH2-CH2 3.91Å; W363-W406 HydrophobicContact CH2-CZ2 4.19Å; W363-W406 HydrophobicContact CZ2-CH2 4.42Å; W363-Y409 HydrophobicContact CZ2-CE1 4.44Å; W363-E410 HydrophobicContact CH2-CB 4.49Å; W363-E410 HydrophobicContact CH2-CG 3.83Å; W363-E410 HydrophobicContact CZ3-CG 3.45Å; W363-E410 VanDerWaalsContact CZ3-CG 3.45Å; W363-T413 HydrophobicContact CD2-CG2 4.45Å; W363-T413 HydrophobicContact CH2-CG2 4.15Å; W363-T413 HydrophobicContact CZ2-CG2 3.46Å; W363-T413 VanDerWaalsContact CZ2-CG2 3.46Å; W363-R414 HydrophobicContact CE3-CG 3.81Å; W363-R414 HydrophobicContact CZ3-CG 3.93Å; W363-I417 HydrophobicContact CB-CD1 4.09Å; W363-I417 HydrophobicContact CD2-CD1 4.15Å; W363-I417 HydrophobicContact CG-CD1 3.67Å; W363-V455 HydrophobicContact CB-CG2 4.36Å
364	A	95.2	Very high	94.6	Very high	14 Å²	14	62.5 Å²	62.5	12%	0.116	34%	0.34	C	S	.	.	H	α-helix	trans	-57.2	-39.8	179.7	0	0	0	0	0	112.4	I358 N360 V367 K368	I358-A364 WeakPolarHBondContact O-CB 3.5Å; N360-A364 WeakPolarHBondContact O-CA 3.33Å; N360-A364 WeakPolarHBondContact O-CB 3.34Å; N360-A364 PolarHBondContact O-N 3.18Å; A364-V367 PolarHBondContact O-N 3.24Å; A364-K368 WeakPolarHBondContact O-CB 3.39Å; A364-K368 WeakPolarHBondContact O-CD 3.36Å; A364-K368 WeakPolarHBondContact O-CG 3.31Å; A364-K368 PolarHBondContact O-N 3.31Å
365	E	94.9	Very high	94.5	Very high	156 Å²	156	65.3 Å²	65.3	73%	0.729	35%	0.354	S	S	*	.	H	α-helix	trans	-65	-48.3	-178.9	-62.8	-168.7	153	0	0	110.8	W363 V367 K368 A369	W363-E365 VanDerWaalsContact C-N 3.26Å; W363-E365 PolarHBondContact O-N 2.9Å; E365-V367 PolarHBondContact O-N 2.98Å; E365-K368 PolarHBondContact O-N 3.49Å; E365-A369 WeakPolarHBondContact O-CB 3.5Å; E365-A369 PolarHBondContact O-N 2.91Å
366	E	94.8	Very high	94.4	Very high	58 Å²	58	61.4 Å²	61.4	27%	0.271	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.3	-71.7	65.7	-140.6	0	0	111.9	W363 A369 L370 T454	W363-E366 WeakPolarHBondContact CA-OE2 3.49Å; W363-E366 PolarHBondContact O-N 3.29Å; E366-A369 PolarHBondContact O-N 2.92Å; E366-L370 VanDerWaalsContact O-CB 3.31Å; E366-L370 WeakPolarHBondContact O-CB 3.12Å; E366-L370 PolarHBondContact O-N 2.69Å; E366-T454 HydrophobicContact CG-CG2 3.65Å; E366-T454 WeakPolarHBondContact OE1-CG2 3.33Å
367	V	96.7	Very high	94.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-43	179.3	169.7	0	0	0	0	111	L354 Q357 I358 W363 A364 E365 L370 L371 I417	L354-V367 HydrophobicContact CD1-CB 4.45Å; L354-V367 HydrophobicContact CD1-CG1 4.01Å; L354-V367 HydrophobicContact CD1-CG2 3.93Å; L354-V367 HydrophobicContact CG-CG1 4.07Å; L354-V367 WeakPolarHBondContact O-CG1 3.45Å; Q357-V367 HydrophobicContact CB-CG2 4.19Å; I358-V367 HydrophobicContact CB-CG1 4.19Å; I358-V367 HydrophobicContact CG1-CG1 4.36Å; W363-V367 WeakPolarHBondContact O-CB 3.42Å; W363-V367 VanDerWaalsContact O-CG2 3.26Å; W363-V367 WeakPolarHBondContact O-CG2 3.21Å; W363-V367 PolarHBondContact O-N 3.07Å; A364-V367 PolarHBondContact O-N 3.24Å; E365-V367 PolarHBondContact O-N 2.98Å; V367-L370 PolarHBondContact O-N 2.99Å; V367-L371 HydrophobicContact CG1-CD1 3.91Å; V367-L371 HydrophobicContact CG1-CG 4.5Å; V367-L371 WeakPolarHBondContact O-CB 3.42Å; V367-L371 VanDerWaalsContact O-CG 3.28Å; V367-L371 WeakPolarHBondContact O-CG 3.2Å; V367-L371 PolarHBondContact O-N 3.3Å; V367-I417 HydrophobicContact CG2-CD1 3.79Å; V367-I417 HydrophobicContact CG2-CG1 4.23Å
368	K	96.3	Very high	94.3	Very high	112 Å²	112	66.8 Å²	66.8	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-44.5	176.7	-74.3	169.5	-173.5	174.4	0	111.4	I358 A364 E365 L371 S372	I358-K368 HydrophobicContact CD1-CG 4.02Å; I358-K368 HydrophobicContact CG1-CD 4.45Å; I358-K368 HydrophobicContact CG1-CG 3.62Å; A364-K368 WeakPolarHBondContact O-CB 3.39Å; A364-K368 WeakPolarHBondContact O-CD 3.36Å; A364-K368 WeakPolarHBondContact O-CG 3.31Å; A364-K368 PolarHBondContact O-N 3.31Å; E365-K368 PolarHBondContact O-N 3.49Å; K368-L371 PolarHBondContact O-N 2.92Å; K368-S372 PolarHBondContact O-N 3.04Å; K368-S372 VanDerWaalsContact O-N 3.09Å; K368-S372 PolarHBondContact O-OG 3.39Å
369	A	94	Very high	94.2	Very high	45 Å²	45	67.6 Å²	67.6	37%	0.372	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-42.3	176.9	0	0	0	0	0	111.9	E365 E366 L371 S372 I373	E365-A369 WeakPolarHBondContact O-CB 3.5Å; E365-A369 PolarHBondContact O-N 2.91Å; E366-A369 PolarHBondContact O-N 2.92Å; A369-L371 PolarHBondContact O-N 3.42Å; A369-S372 PolarHBondContact O-N 3.03Å; A369-S372 PolarHBondContact O-OG 2.79Å; A369-I373 WeakPolarHBondContact O-CG1 3.25Å; A369-I373 PolarHBondContact O-N 2.92Å
370	L	95	Very high	94.1	Very high	16 Å²	16	69.5 Å²	69.5	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-67.4	-36.9	178.8	-172.3	60.3	0	0	0	112.2	L354 E366 V367 G374 I375 I417 V420	L354-L370 HydrophobicContact CD1-CD2 4.45Å; L354-L370 HydrophobicContact CD2-CB 4.45Å; L354-L370 HydrophobicContact CD2-CD2 3.79Å; L354-L370 HydrophobicContact CD2-CG 4.07Å; E366-L370 VanDerWaalsContact O-CB 3.31Å; E366-L370 WeakPolarHBondContact O-CB 3.12Å; E366-L370 PolarHBondContact O-N 2.69Å; V367-L370 PolarHBondContact O-N 2.99Å; L370-G374 CarbonylContact O-C 3.58Å; L370-G374 VanDerWaalsContact O-C 3.24Å; L370-G374 WeakPolarHBondContact O-CA 3.44Å; L370-G374 PolarHBondContact O-N 2.93Å; L370-I375 HydrophobicContact CG-CG2 4.44Å; L370-I417 HydrophobicContact CD2-CG2 4.47Å; L370-V420 HydrophobicContact CD2-CG2 3.84Å
371	L	95.1	Very high	94.1	Very high	34 Å²	34	69.9 Å²	69.9	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-69.7	-30	175.9	-74.5	170	0	0	0	113.2	K351 L354 K355 I358 V367 K368 A369	K351-L371 HydrophobicContact CG-CD2 4.03Å; L354-L371 HydrophobicContact CD2-CD2 3.79Å; L354-L371 HydrophobicContact CD2-CG 3.95Å; L354-L371 HydrophobicContact CG-CD2 4.19Å; L354-L371 HydrophobicContact CG-CG 4.26Å; K355-L371 HydrophobicContact CG-CD1 3.86Å; K355-L371 HydrophobicContact CG-CD2 4Å; I358-L371 HydrophobicContact CD1-CD1 4.1Å; V367-L371 HydrophobicContact CG1-CD1 3.91Å; V367-L371 HydrophobicContact CG1-CG 4.5Å; V367-L371 WeakPolarHBondContact O-CB 3.42Å; V367-L371 VanDerWaalsContact O-CG 3.28Å; V367-L371 WeakPolarHBondContact O-CG 3.2Å; V367-L371 PolarHBondContact O-N 3.3Å; K368-L371 PolarHBondContact O-N 2.92Å; A369-L371 PolarHBondContact O-N 3.42Å
372	S	94.3	Very high	94.2	Very high	98 Å²	98	69.5 Å²	69.5	69%	0.685	36%	0.363	S	S	*	.	H	α-helix	trans	-78.7	-41.3	177.9	67.1	0	0	0	0	112.5	K368 A369	K368-S372 PolarHBondContact O-N 3.04Å; K368-S372 VanDerWaalsContact O-N 3.09Å; K368-S372 PolarHBondContact O-OG 3.39Å; A369-S372 PolarHBondContact O-N 3.03Å; A369-S372 PolarHBondContact O-OG 2.79Å
373	I	91.3	Very high	94.1	Very high	135 Å²	135	70.3 Å²	70.3	69%	0.692	37%	0.368	S	S	*	.	H	α-helix	trans	-70.3	-35.9	175.7	-64.6	167.2	0	0	0	111	A369	A369-I373 WeakPolarHBondContact O-CG1 3.25Å; A369-I373 PolarHBondContact O-N 2.92Å
374	G	90.6	Very high	93.8	Very high	33 Å²	33	72.2 Å²	72.2	34%	0.34	38%	0.384	S	S	.	.			trans	108.3	136.4	-171.6	0	0	0	0	0	111.2	L370	L370-G374 CarbonylContact O-C 3.58Å; L370-G374 VanDerWaalsContact O-C 3.24Å; L370-G374 WeakPolarHBondContact O-CA 3.44Å; L370-G374 PolarHBondContact O-N 2.93Å
375	I	93.9	Very high	93.4	Very high	59 Å²	59	74.7 Å²	74.7	30%	0.303	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-64.3	140.7	179.1	64.4	174.5	0	0	0	110.4	L350 K351 L354 L370 V420	L350-I375 HydrophobicContact CB-CD1 3.89Å; K351-I375 HydrophobicContact CB-CD1 4.35Å; L354-I375 HydrophobicContact CD2-CG2 3.44Å; L354-I375 VanDerWaalsContact CD2-CG2 3.44Å; L370-I375 HydrophobicContact CG-CG2 4.44Å; I375-V420 HydrophobicContact CB-CB 4.49Å
376	N	94.8	Very high	93.1	Very high	33 Å²	33	70.4 Å²	70.4	18%	0.176	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-77.2	150.6	170.9	-164.2	14.3	0	0	0	109.9	R297 P378 V420 S421 Q422	R297-N376 VanDerWaalsContact CZ-ND2 3.3Å; N376-P378 WeakPolarHBondContact O-CD 3.48Å; N376-V420 WeakPolarHBondContact CB-O 3.34Å; N376-V420 PolarHBondContact N-O 3.14Å; N376-S421 VanDerWaalsContact CB-O 3.3Å; N376-S421 WeakPolarHBondContact CB-O 3.38Å; N376-S421 PolarHBondContact ND2-O 3.2Å; N376-Q422 PolarHBondContact ND2-OE1 3.29Å
377	Q	93.3	Very high	93.1	Very high	161 Å²	161	68 Å²	68	75%	0.752	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-64.9	128.4	170.9	-71.5	-171.6	-5	0	0	109.1	R297	R297-Q377 PolarHBondContact NH2-O 2.69Å
378	P	95.3	Very high	93	Very high	33 Å²	33	69 Å²	69	21%	0.214	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-58	153.6	173.9	-26.2	35.9	0	0	0	112.2	Y344 L350 N376 V420	Y344-P378 HydrophobicContact CD2-CB 3.56Å; Y344-P378 HydrophobicContact CD2-CG 3.58Å; Y344-P378 HydrophobicContact CE2-CB 3.94Å; Y344-P378 HydrophobicContact CE2-CG 4.05Å; L350-P378 HydrophobicContact CD1-CG 3.62Å; L350-P378 HydrophobicContact CD2-CG 4.41Å; N376-P378 WeakPolarHBondContact O-CD 3.48Å; P378-V420 HydrophobicContact CG-CG1 3.94Å
379	R	94.9	Very high	93.1	Very high	68 Å²	68	63.6 Å²	63.6	26%	0.257	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-64.7	143.9	176.3	-67.3	-178.5	65.2	-175.8	2	110.2	Q296 R297 Q299 G381	Q296-R379 VanDerWaalsContact CB-NH1 3.27Å; R297-R379 HydrophobicContact CG-CG 3.94Å; R297-R379 VanDerWaalsContact CZ-CG 3.5Å; R297-R379 WeakPolarHBondContact O-CD 3.42Å; R297-R379 PolarHBondContact O-NH1 2.96Å; Q299-R379 HydrophobicContact CG-CB 4.46Å; R379-G381 PolarHBondContact O-N 3.39Å
380	K	90.3	Very high	93.3	Very high	184 Å²	184	61.5 Å²	61.5	80%	0.8	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-60.2	138.1	170.5	-66.8	-171.5	178.8	-174	0	110.1	Q299	Q299-K380 PolarHBondContact NE2-O 3.46Å
381	G	93.1	Very high	93.5	Very high	27 Å²	27	60.8 Å²	60.8	28%	0.278	34%	0.343	S	S	.	.			trans	-130.5	-156.7	173.5	0	0	0	0	0	110.9	T342 R379	T342-G381 WeakPolarHBondContact O-CA 3.29Å; R379-G381 PolarHBondContact O-N 3.39Å
382	K	93.8	Very high	93.6	Very high	130 Å²	130	59.1 Å²	59.1	57%	0.565	34%	0.335	S	S	*	.			trans	-105.8	132.2	175.7	-177.3	-172.3	173.1	-158.1	0	109.3	T341 T342	T341-K382 WeakPolarHBondContact CA-O 3.43Å; T342-K382 PolarHBondContact N-O 3.3Å; T342-K382 PolarHBondContact OG1-N 2.94Å; T342-K382 PolarHBondContact OG1-O 3.19Å
383	D	93.3	Very high	93.7	Very high	80 Å²	80	55.6 Å²	55.6	43%	0.428	31%	0.308	S	S	.	.			trans	-89.1	119.8	166.7	-172.4	-1.7	0	0	0	108.5	I343 H345 G385	I343-D383 HydrophobicContact CG2-CB 3.68Å; H345-D383 IonicContact CE1-OD1 2.69Å; H345-D383 IonicContact CE1-OD2 2.89Å; H345-D383 PolarHBondContact CE1-OD2 3.07Å; H345-D383 VanDerWaalsContact CE1-OD2 3.26Å; H345-D383 IonicContact ND1-OD2 2.85Å; D383-G385 WeakPolarHBondContact OD1-CA 3.33Å; D383-G385 PolarHBondContact OD1-N 3.4Å
384	A	89.1	Confident	93.8	Very high	40 Å²	40	54.3 Å²	54.3	33%	0.331	29%	0.294	S	S	.	.			trans	-90.6	-7.3	175.2	0	0	0	0	0	112.4	E340 T341 D386	E340-A384 HydrophobicContact CB-CB 3.68Å; T341-A384 WeakPolarHBondContact OG1-CB 3.31Å; T341-A384 PolarHBondContact OG1-N 2.92Å; A384-D386 VanDerWaalsContact C-N 3.27Å
385	G	86	Confident	94	Very high	67 Å²	67	55.5 Å²	55.5	69%	0.691	30%	0.298	S	S	*	.	S	Bend	trans	71.9	20.3	-177.2	0	0	0	0	0	113.7	D383	D383-G385 WeakPolarHBondContact OD1-CA 3.33Å; D383-G385 PolarHBondContact OD1-N 3.4Å
386	D	89.4	Confident	94.1	Very high	66 Å²	66	53 Å²	53	35%	0.353	29%	0.286	S	S	.	.	S	Bend	trans	-100	-82.5	179.8	56.6	2.6	0	0	0	111.7	T339 E340 T341 A384	T339-D386 VanDerWaalsContact CA-OD2 3.28Å; T339-D386 WeakPolarHBondContact CA-OD2 3.47Å; T339-D386 PolarHBondContact OG1-OD1 2.99Å; T339-D386 PolarHBondContact OG1-OD2 3.1Å; E340-D386 PolarHBondContact N-OD2 3.45Å; T341-D386 WeakPolarHBondContact CB-OD1 3.15Å; T341-D386 PolarHBondContact OG1-OD1 2.83Å; A384-D386 VanDerWaalsContact C-N 3.27Å
387	H	94.4	Very high	94.1	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.028	29%	0.293	C	S	.	.			trans	-135.2	161.2	-176.3	-67.8	-82.8	0	0	0	110.1	C118 S153 Y336 T339 T341	C118-H387 PolarHBondContact O-NE2 3.25Å; S153-H387 PolarHBondContact OG-ND1 3.39Å; Y336-H387 AromaticContact CD1-CD2 3.51Å; Y336-H387 AromaticContact CD1-CE1 3.59Å; Y336-H387 AromaticContact CD1-NE2 3.16Å; Y336-H387 WeakPolarHBondContact CD1-NE2 3.43Å; Y336-H387 AromaticContact CE1-NE2 3.6Å; Y336-H387 AromaticContact CG-CE1 3.98Å; Y336-H387 AromaticContact CG-NE2 4Å; T339-H387 PolarHBondContact OG1-O 3.26Å; T341-H387 WeakPolarHBondContact CB-O 3.39Å; T341-H387 WeakPolarHBondContact CG2-O 3.35Å; T341-H387 PolarHBondContact OG1-O 3.04Å
388	P	95.3	Very high	94.1	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.136	28%	0.281	C	S	.	.			trans	-59.8	161	165.9	-20.2	33.1	0	0	0	111.6	S153 F348	S153-P388 WeakPolarHBondContact OG-CD 3.34Å; F348-P388 HydrophobicContact CD2-CB 4.3Å; F348-P388 HydrophobicContact CE2-CB 4.27Å
389	P	98.1	Very high	94.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.309	C	S	.	.			trans	-54.7	159.4	173.5	-23	33.4	0	0	0	112.3	A300 L301 S335 T341 I343 Y344 T391	A300-P389 HydrophobicContact CB-CB 3.57Å; A300-P389 HydrophobicContact CB-CG 3.49Å; A300-P389 VanDerWaalsContact CB-CG 3.49Å; L301-P389 CarbonylContact O-C 3.53Å; L301-P389 WeakPolarHBondContact O-CA 3.42Å; L301-P389 WeakPolarHBondContact O-CB 3.43Å; S335-P389 PolarHBondContact OG-O 3.39Å; T341-P389 HydrophobicContact CG2-CG 4.22Å; I343-P389 WeakPolarHBondContact O-CD 3.37Å; I343-P389 VanDerWaalsContact O-CG 3.3Å; I343-P389 WeakPolarHBondContact O-CG 3.3Å; Y344-P389 HydrophobicContact CD1-CB 4.33Å; Y344-P389 HydrophobicContact CD1-CG 3.8Å; Y344-P389 HydrophobicContact CE1-CB 3.74Å; Y344-P389 HydrophobicContact CE1-CG 3.71Å; Y344-P389 HydrophobicContact CG-CG 4.4Å; P389-T391 PolarHBondContact O-N 2.83Å; P389-T391 VanDerWaalsContact O-N 3.12Å
390	I	98.6	Very high	94	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	32%	0.321	C	S	.	.			trans	-67.5	111.6	179.4	-51.5	178.8	0	0	0	109.1	L301 M306 I334 S335 P337 T339 I412	L301-I390 HydrophobicContact CB-CB 4.38Å; L301-I390 HydrophobicContact CD2-CB 4.18Å; L301-I390 HydrophobicContact CD2-CG2 4.41Å; L301-I390 HydrophobicContact CG-CB 4.29Å; L301-I390 PolarHBondContact O-N 3.46Å; M306-I390 HydrophobicContact CB-CD1 4.16Å; M306-I390 HydrophobicContact CE-CD1 4Å; M306-I390 HydrophobicContact SD-CD1 3.77Å; I334-I390 HydrophobicContact CD1-CG2 4.17Å; S335-I390 WeakPolarHBondContact OG-CA 3.06Å; P337-I390 HydrophobicContact CB-CD1 4.37Å; T339-I390 HydrophobicContact CG2-CD1 4.45Å; T339-I390 HydrophobicContact CG2-CG1 3.73Å; I390-I412 HydrophobicContact CG2-CD1 4.09Å; I390-I412 HydrophobicContact CG2-CG1 4.41Å; I390-I412 HydrophobicContact CG2-CG2 4.13Å
391	T	98.3	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	29%	0.286	C	S	.	.			trans	-131.6	148.1	-173.4	48.5	0	0	0	0	112.3	I334 S335 Y344 F348 P389 M393 F416	I334-T391 CarbonylContact C-O 3.55Å; I334-T391 WeakPolarHBondContact CA-O 3.48Å; S335-T391 PolarHBondContact N-O 3.02Å; S335-T391 PolarHBondContact OG-N 3.32Å; S335-T391 PolarHBondContact OG-OG1 3.06Å; Y344-T391 HydrophobicContact CD1-CG2 4.35Å; Y344-T391 HydrophobicContact CE1-CG2 3.36Å; F348-T391 HydrophobicContact CZ-CG2 4.09Å; P389-T391 PolarHBondContact O-N 2.83Å; P389-T391 VanDerWaalsContact O-N 3.12Å; T391-M393 PolarHBondContact O-N 3.43Å; T391-M393 PolarHBondContact OG1-SD 3.25Å; T391-M393 VanDerWaalsContact OG1-SD 3.35Å; T391-F416 HydrophobicContact CG2-CD2 3.81Å; T391-F416 HydrophobicContact CG2-CE2 4.2Å
392	P	97.9	Very high	94.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-66.4	132.4	169.4	31.2	-34.9	0	0	0	109.6	Y333 T353 Y409 T413 F416	Y333-P392 CarbonylContact O-C 3.59Å; Y333-P392 WeakPolarHBondContact O-CA 3.47Å; T353-P392 HydrophobicContact CG2-CG 4.32Å; T353-P392 WeakPolarHBondContact CG2-O 3.38Å; P392-Y409 HydrophobicContact CB-CE2 4.22Å; P392-T413 HydrophobicContact CB-CG2 4.47Å; P392-T413 HydrophobicContact CG-CG2 4.28Å; P392-F416 HydrophobicContact CG-CB 4.05Å; P392-F416 HydrophobicContact CG-CD1 3.75Å; P392-F416 HydrophobicContact CG-CE1 4.5Å; P392-F416 HydrophobicContact CG-CG 3.97Å
393	M	95.7	Very high	94.3	Very high	23 Å²	23	44.6 Å²	44.6	11%	0.113	29%	0.287	C	S	.	.			trans	-113.9	-8.1	-178.2	-59.3	-55	-62.7	0	0	113.1	T156 Y333 S335 F348 Q356 T391	T156-M393 HydrophobicContact CG2-CB 3.85Å; T156-M393 HydrophobicContact CG2-CE 3.96Å; Y333-M393 PolarHBondContact O-N 3.29Å; S335-M393 VanDerWaalsContact N-CG 3.33Å; F348-M393 HydrophobicContact CZ-SD 4.41Å; Q356-M393 PolarHBondContact NE2-O 3.2Å; Q356-M393 PolarHBondContact OE1-O 2.79Å; T391-M393 PolarHBondContact O-N 3.43Å; T391-M393 PolarHBondContact OG1-SD 3.25Å; T391-M393 VanDerWaalsContact OG1-SD 3.35Å
394	R	93.9	Very high	94.4	Very high	108 Å²	108	43.3 Å²	43.3	41%	0.408	28%	0.28	S	S	.	.	S	Bend	trans	-156.2	143.8	176.8	-176.1	170.8	64.3	135.9	-7.5	109.2	Q331 G332 Y333 Q356 Y409	Q331-R394 PolarHBondContact O-NH2 3.26Å; G332-R394 WeakPolarHBondContact O-CB 3.16Å; Y333-R394 HydrophobicContact CD1-CB 4.25Å; Y333-R394 HydrophobicContact CD1-CG 4.47Å; Y333-R394 PolarHBondContact OH-NH2 3.22Å; Q356-R394 VanDerWaalsContact OE1-CA 3.29Å; R394-Y409 PolarHBondContact O-OH 3.16Å
395	S	94.9	Very high	94.8	Very high	59 Å²	59	41.5 Å²	41.5	41%	0.413	27%	0.265	S	S	.	.			trans	-64	145.4	170.9	60.4	0	0	0	0	111.6	Q356	Q356-S395 WeakPolarHBondContact O-CB 3.41Å
396	A	95.5	Very high	95.4	Very high	7 Å²	7	38.9 Å²	38.9	6%	0.058	23%	0.234	C	C	.	.			trans	-137.2	166.1	175	0	0	0	0	0	111.3	Y333 N360 L401 W406 Y409	Y333-A396 HydrophobicContact CD1-CB 3.61Å; Y333-A396 HydrophobicContact CE1-CB 3.46Å; Y333-A396 VanDerWaalsContact CE1-CB 3.46Å; N360-A396 PolarHBondContact ND2-O 3.47Å; A396-L401 HydrophobicContact CB-CD1 3.58Å; A396-L401 HydrophobicContact CB-CD2 4.33Å; A396-L401 HydrophobicContact CB-CG 3.91Å; A396-W406 HydrophobicContact CB-CZ3 4.4Å; A396-W406 WeakPolarHBondContact O-CZ3 3.49Å; A396-Y409 HydrophobicContact CB-CD1 4.06Å; A396-Y409 HydrophobicContact CB-CD2 4.49Å; A396-Y409 HydrophobicContact CB-CE1 3.71Å; A396-Y409 HydrophobicContact CB-CE2 4.15Å; A396-Y409 HydrophobicContact CB-CG 4.46Å; A396-Y409 PolarHBondContact N-OH 3.11Å
397	S	94.5	Very high	95.8	Very high	45 Å²	45	39.8 Å²	39.8	32%	0.315	23%	0.233	S	C	.	.			trans	-122.2	161.4	169.4	68.5	0	0	0	0	111.6	G399 E400 L401	S397-G399 VanDerWaalsContact C-N 3.25Å; S397-G399 PolarHBondContact O-N 2.93Å; S397-E400 PolarHBondContact O-N 3.03Å; S397-E400 VanDerWaalsContact O-N 3.15Å; S397-E400 VanDerWaalsContact OG-CD 3.25Å; S397-E400 WeakPolarHBondContact OG-CG 3.39Å; S397-E400 PolarHBondContact OG-OE1 2.7Å; S397-L401 PolarHBondContact O-N 2.89Å
398	E	94.3	Very high	96	Very high	108 Å²	108	39.5 Å²	39.5	51%	0.505	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-36.5	178.4	-176	168.6	-157.8	0	0	112.3	E400 L401 G402 W406	E398-E400 VanDerWaalsContact C-N 3.26Å; E398-E400 PolarHBondContact O-N 3.38Å; E398-L401 PolarHBondContact O-N 3.19Å; E398-G402 PolarHBondContact O-N 3.38Å; E398-W406 HydrophobicContact CB-CB 4.21Å; E398-W406 HydrophobicContact CB-CD2 3.69Å; E398-W406 HydrophobicContact CB-CE3 4.25Å; E398-W406 HydrophobicContact CB-CG 3.62Å; E398-W406 HydrophobicContact CG-CB 3.9Å; E398-W406 HydrophobicContact CG-CD2 4.27Å; E398-W406 HydrophobicContact CG-CG 3.64Å; E398-W406 VanDerWaalsContact N-CE3 3.35Å
399	G	93.9	Very high	96.2	Very high	79 Å²	79	38.5 Å²	38.5	81%	0.814	23%	0.225	S	C	*	.	H	α-helix	trans	-63.4	-29.3	177.2	0	0	0	0	0	113.8	S397	S397-G399 VanDerWaalsContact C-N 3.25Å; S397-G399 PolarHBondContact O-N 2.93Å
400	E	94.1	Very high	96.2	Very high	107 Å²	107	40.6 Å²	40.6	50%	0.5	24%	0.235	S	C	.	.	H	α-helix	trans	-80	-35.7	177.9	-71	159.8	-130.9	0	0	112.9	Y333 S397 E398	Y333-E400 PolarHBondContact OH-OE2 3.24Å; S397-E400 PolarHBondContact O-N 3.03Å; S397-E400 VanDerWaalsContact O-N 3.15Å; S397-E400 VanDerWaalsContact OG-CD 3.25Å; S397-E400 WeakPolarHBondContact OG-CG 3.39Å; S397-E400 PolarHBondContact OG-OE1 2.7Å; E398-E400 VanDerWaalsContact C-N 3.26Å; E398-E400 PolarHBondContact O-N 3.38Å
401	L	94.3	Very high	96.2	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-98.8	-18.6	-170.2	-61.9	-170.9	0	0	0	114.2	L328 Y333 A396 S397 E398 W406 Y409	L328-L401 HydrophobicContact CD2-CD1 3.8Å; L328-L401 HydrophobicContact CD2-CD2 3.77Å; L328-L401 HydrophobicContact CD2-CG 4.35Å; Y333-L401 HydrophobicContact CD1-CD2 4.47Å; Y333-L401 HydrophobicContact CD2-CD2 3.55Å; Y333-L401 HydrophobicContact CE1-CD2 4.21Å; Y333-L401 HydrophobicContact CE2-CD2 3.21Å; Y333-L401 HydrophobicContact CG-CD2 4.16Å; A396-L401 HydrophobicContact CB-CD1 3.58Å; A396-L401 HydrophobicContact CB-CD2 4.33Å; A396-L401 HydrophobicContact CB-CG 3.91Å; S397-L401 PolarHBondContact O-N 2.89Å; E398-L401 PolarHBondContact O-N 3.19Å; L401-W406 HydrophobicContact CB-CB 4.26Å; L401-W406 HydrophobicContact CD1-CE3 4.08Å; L401-Y409 VanDerWaalsContact CD1-CB 3.48Å; L401-Y409 HydrophobicContact CD1-CD1 3.85Å; L401-Y409 HydrophobicContact CD1-CD2 4.09Å; L401-Y409 HydrophobicContact CD1-CG 3.52Å
402	G	93.8	Very high	96.2	Very high	35 Å²	35	41.1 Å²	41.1	36%	0.361	24%	0.237	S	C	.	.	H	α-helix	trans	66	173.7	-168.4	0	0	0	0	0	112.3	E398 G405 W406	E398-G402 PolarHBondContact O-N 3.38Å; G402-G405 PolarHBondContact O-N 3.47Å; G402-W406 WeakPolarHBondContact O-CB 3.2Å; G402-W406 PolarHBondContact O-N 3.22Å
403	S	94.3	Very high	96.3	Very high	73 Å²	73	41.1 Å²	41.1	51%	0.51	24%	0.237	S	C	.	.	H	α-helix	trans	-56.4	-62.1	-166.5	-175	0	0	0	0	114.4	G405 W406 R407	S403-G405 VanDerWaalsContact C-N 3.34Å; S403-G405 PolarHBondContact O-N 3.13Å; S403-W406 PolarHBondContact O-N 3.17Å; S403-R407 WeakPolarHBondContact O-CG 3.46Å; S403-R407 PolarHBondContact O-N 2.77Å
404	D	96.2	Very high	96.4	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-68	-33.7	-176.8	-82.6	-6.9	0	0	0	113	M316 H320 I324 R407 L408	M316-D404 HydrophobicContact CE-CB 3.96Å; M316-D404 WeakPolarHBondContact CE-O 3.44Å; H320-D404 IonicContact CD2-OD2 2.83Å; H320-D404 IonicContact CE1-OD2 3.84Å; H320-D404 IonicContact NE2-OD2 2.86Å; H320-D404 PolarHBondContact NE2-OD2 3.15Å; I324-D404 HydrophobicContact CD1-CB 3.78Å; D404-R407 IonicContact OD1-CZ 3.52Å; D404-R407 IonicContact OD1-NH1 2.71Å; D404-R407 PolarHBondContact OD1-NH1 2.91Å; D404-L408 PolarHBondContact O-N 3.23Å
405	G	97.8	Very high	96.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-44.5	174.4	0	0	0	0	0	111.8	G402 S403 Y409	G402-G405 PolarHBondContact O-N 3.47Å; S403-G405 VanDerWaalsContact C-N 3.34Å; S403-G405 PolarHBondContact O-N 3.13Å; G405-Y409 VanDerWaalsContact O-CB 3.29Å; G405-Y409 WeakPolarHBondContact O-CB 3.42Å; G405-Y409 PolarHBondContact O-N 3.36Å
406	W	98.2	Very high	96.8	Very high	12 Å²	12	34 Å²	34	5%	0.045	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-50.4	176.3	178.6	-112.5	0	0	0	111.6	I362 W363 A396 E398 L401 G402 S403 L408 Y409 E410	I362-W406 HydrophobicContact CD1-CZ2 3.68Å; W363-W406 AromaticContact CH2-CH2 3.91Å; W363-W406 HydrophobicContact CH2-CH2 3.91Å; W363-W406 HydrophobicContact CH2-CZ2 4.19Å; W363-W406 HydrophobicContact CZ2-CH2 4.42Å; A396-W406 HydrophobicContact CB-CZ3 4.4Å; A396-W406 WeakPolarHBondContact O-CZ3 3.49Å; E398-W406 HydrophobicContact CB-CB 4.21Å; E398-W406 HydrophobicContact CB-CD2 3.69Å; E398-W406 HydrophobicContact CB-CE3 4.25Å; E398-W406 HydrophobicContact CB-CG 3.62Å; E398-W406 HydrophobicContact CG-CB 3.9Å; E398-W406 HydrophobicContact CG-CD2 4.27Å; E398-W406 HydrophobicContact CG-CG 3.64Å; E398-W406 VanDerWaalsContact N-CE3 3.35Å; L401-W406 HydrophobicContact CB-CB 4.26Å; L401-W406 HydrophobicContact CD1-CE3 4.08Å; G402-W406 WeakPolarHBondContact O-CB 3.2Å; G402-W406 PolarHBondContact O-N 3.22Å; S403-W406 PolarHBondContact O-N 3.17Å; W406-L408 VanDerWaalsContact C-N 3.29Å; W406-L408 PolarHBondContact O-N 3.09Å; W406-Y409 HydrophobicContact CE3-CD1 4.01Å; W406-Y409 HydrophobicContact CH2-CD1 4.44Å; W406-Y409 AromaticContact CZ3-CD1 3.68Å; W406-Y409 HydrophobicContact CZ3-CD1 3.68Å; W406-Y409 AromaticContact CZ3-CE1 3.93Å; W406-Y409 HydrophobicContact CZ3-CE1 3.93Å; W406-Y409 CarbonylContact O-C 3.58Å; W406-Y409 PolarHBondContact O-N 2.89Å; W406-Y409 VanDerWaalsContact O-N 3.14Å; W406-E410 HydrophobicContact CZ2-CG 4.33Å; W406-E410 VanDerWaalsContact O-CB 3.26Å; W406-E410 WeakPolarHBondContact O-CB 3.14Å; W406-E410 PolarHBondContact O-N 3.14Å
407	R	98.4	Very high	96.9	Very high	85 Å²	85	33.7 Å²	33.7	32%	0.321	20%	0.197	S	C	.	.	H	α-helix	trans	-56	-41.9	-178.1	-70	166	70.3	-145.5	1.2	112.7	L314 M316 S403 D404 Y411	L314-R407 PolarHBondContact O-NH2 3.14Å; M316-R407 HydrophobicContact CE-CB 3.79Å; S403-R407 WeakPolarHBondContact O-CG 3.46Å; S403-R407 PolarHBondContact O-N 2.77Å; D404-R407 IonicContact OD1-CZ 3.52Å; D404-R407 IonicContact OD1-NH1 2.71Å; D404-R407 PolarHBondContact OD1-NH1 2.91Å; R407-Y411 PolarHBondContact O-N 2.86Å
408	L	98.6	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.6	-44.8	176.7	-175.5	60.3	0	0	0	112	M306 A310 L314 T321 I324 A325 L328 D404 W406 E410 Y411 I412	M306-L408 HydrophobicContact CG-CD1 4.11Å; M306-L408 HydrophobicContact SD-CD1 4.47Å; A310-L408 HydrophobicContact CB-CD1 4.36Å; L314-L408 HydrophobicContact CD1-CD1 4.28Å; T321-L408 HydrophobicContact CG2-CD1 4.09Å; T321-L408 HydrophobicContact CG2-CD2 3.97Å; I324-L408 HydrophobicContact CB-CD2 4.01Å; I324-L408 HydrophobicContact CG2-CB 4.23Å; I324-L408 HydrophobicContact CG2-CD2 3.79Å; A325-L408 HydrophobicContact CB-CD2 4.01Å; L328-L408 HydrophobicContact CD1-CB 4.48Å; L328-L408 HydrophobicContact CD1-CD2 4.39Å; L328-L408 HydrophobicContact CD1-CG 4.43Å; D404-L408 PolarHBondContact O-N 3.23Å; W406-L408 VanDerWaalsContact C-N 3.29Å; W406-L408 PolarHBondContact O-N 3.09Å; L408-E410 VanDerWaalsContact C-N 3.32Å; L408-E410 PolarHBondContact O-N 3.31Å; L408-Y411 PolarHBondContact O-N 3.45Å; L408-I412 HydrophobicContact CD1-CD1 4.35Å; L408-I412 HydrophobicContact CG-CD1 3.99Å; L408-I412 WeakPolarHBondContact O-CG1 3.33Å; L408-I412 PolarHBondContact O-N 2.78Å
409	Y	98.7	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-40.1	176.6	173.9	-90.5	0	0	0	112.3	I334 Q357 W363 P392 R394 A396 L401 G405 W406 I412 T413	I334-Y409 HydrophobicContact CG2-CD2 4.15Å; Q357-Y409 PolarHBondContact NE2-OH 2.7Å; Q357-Y409 PolarHBondContact OE1-OH 2.98Å; Q357-Y409 VanDerWaalsContact OE1-OH 3.09Å; W363-Y409 HydrophobicContact CZ2-CE1 4.44Å; P392-Y409 HydrophobicContact CB-CE2 4.22Å; R394-Y409 PolarHBondContact O-OH 3.16Å; A396-Y409 HydrophobicContact CB-CD1 4.06Å; A396-Y409 HydrophobicContact CB-CD2 4.49Å; A396-Y409 HydrophobicContact CB-CE1 3.71Å; A396-Y409 HydrophobicContact CB-CE2 4.15Å; A396-Y409 HydrophobicContact CB-CG 4.46Å; A396-Y409 PolarHBondContact N-OH 3.11Å; L401-Y409 VanDerWaalsContact CD1-CB 3.48Å; L401-Y409 HydrophobicContact CD1-CD1 3.85Å; L401-Y409 HydrophobicContact CD1-CD2 4.09Å; L401-Y409 HydrophobicContact CD1-CG 3.52Å; G405-Y409 VanDerWaalsContact O-CB 3.29Å; G405-Y409 WeakPolarHBondContact O-CB 3.42Å; G405-Y409 PolarHBondContact O-N 3.36Å; W406-Y409 HydrophobicContact CE3-CD1 4.01Å; W406-Y409 HydrophobicContact CH2-CD1 4.44Å; W406-Y409 AromaticContact CZ3-CD1 3.68Å; W406-Y409 HydrophobicContact CZ3-CD1 3.68Å; W406-Y409 AromaticContact CZ3-CE1 3.93Å; W406-Y409 HydrophobicContact CZ3-CE1 3.93Å; W406-Y409 CarbonylContact O-C 3.58Å; W406-Y409 PolarHBondContact O-N 2.89Å; W406-Y409 VanDerWaalsContact O-N 3.14Å; Y409-I412 PolarHBondContact O-N 2.71Å; Y409-T413 VanDerWaalsContact CE1-OG1 3.32Å; Y409-T413 WeakPolarHBondContact CE1-OG1 3.49Å; Y409-T413 VanDerWaalsContact CZ-OG1 3.27Å; Y409-T413 WeakPolarHBondContact O-CB 3.28Å; Y409-T413 PolarHBondContact O-N 3.12Å; Y409-T413 PolarHBondContact O-OG1 2.87Å
410	E	98.4	Very high	97.5	Very high	44 Å²	44	22.7 Å²	22.7	21%	0.206	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-48.7	177.1	-162.1	-164.6	155.1	0	0	110.4	W363 W406 L408 T413 R414	W363-E410 HydrophobicContact CH2-CB 4.49Å; W363-E410 HydrophobicContact CH2-CG 3.83Å; W363-E410 HydrophobicContact CZ3-CG 3.45Å; W363-E410 VanDerWaalsContact CZ3-CG 3.45Å; W406-E410 HydrophobicContact CZ2-CG 4.33Å; W406-E410 VanDerWaalsContact O-CB 3.26Å; W406-E410 WeakPolarHBondContact O-CB 3.14Å; W406-E410 PolarHBondContact O-N 3.14Å; L408-E410 VanDerWaalsContact C-N 3.32Å; L408-E410 PolarHBondContact O-N 3.31Å; E410-T413 PolarHBondContact O-N 3.17Å; E410-R414 WeakPolarHBondContact O-CB 3.42Å; E410-R414 VanDerWaalsContact O-CG 3.32Å; E410-R414 WeakPolarHBondContact O-CG 3.45Å; E410-R414 PolarHBondContact O-N 3.26Å; E410-R414 IonicContact OE1-CZ 3.87Å; E410-R414 IonicContact OE1-NE 2.98Å; E410-R414 PolarHBondContact OE1-NE 3.25Å; E410-R414 IonicContact OE1-NH2 3.67Å; E410-R414 PolarHBondContact OE1-NH2 3.06Å
411	Y	98.6	Very high	97.6	Very high	13 Å²	13	18.2 Å²	18.2	5%	0.051	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-49.3	176.1	170.2	-108.6	0	0	0	112	L301 V309 R407 L408 T413 R414 H415 M456 W458	L301-Y411 HydrophobicContact CD1-CE1 4.09Å; L301-Y411 HydrophobicContact CD2-CE1 4.15Å; V309-Y411 HydrophobicContact CB-CE1 3.93Å; V309-Y411 HydrophobicContact CB-CE2 4.24Å; V309-Y411 HydrophobicContact CG1-CD1 4.34Å; V309-Y411 HydrophobicContact CG1-CD2 3.94Å; V309-Y411 HydrophobicContact CG1-CE1 3.93Å; V309-Y411 HydrophobicContact CG1-CE2 3.54Å; V309-Y411 HydrophobicContact CG1-CG 4.34Å; V309-Y411 HydrophobicContact CG2-CE2 4.46Å; V309-Y411 WeakPolarHBondContact CG2-OH 3.37Å; R407-Y411 PolarHBondContact O-N 2.86Å; L408-Y411 PolarHBondContact O-N 3.45Å; Y411-T413 PolarHBondContact O-N 2.9Å; Y411-R414 PolarHBondContact O-N 2.91Å; Y411-H415 HydrophobicContact CE2-CB 4.22Å; Y411-H415 AromaticContact CE2-ND1 3.95Å; Y411-H415 AromaticContact CZ-ND1 3.67Å; Y411-H415 WeakPolarHBondContact O-CB 3.18Å; Y411-H415 PolarHBondContact O-N 3.24Å; Y411-H415 PolarHBondContact OH-ND1 2.84Å; Y411-M456 HydrophobicContact CE2-CE 4.2Å; Y411-W458 HydrophobicContact CD2-CZ2 4.24Å
412	I	98.8	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.5	-42.8	178.5	-68.4	167.5	0	0	0	110.5	L301 M306 I334 I390 L408 Y409 F416	L301-I412 HydrophobicContact CD2-CB 4.41Å; L301-I412 HydrophobicContact CD2-CG1 3.88Å; L301-I412 HydrophobicContact CD2-CG2 4.46Å; M306-I412 HydrophobicContact SD-CD1 4.23Å; I334-I412 HydrophobicContact CD1-CD1 3.92Å; I334-I412 HydrophobicContact CG2-CD1 4.13Å; I334-I412 HydrophobicContact CG2-CG2 4.08Å; I390-I412 HydrophobicContact CG2-CD1 4.09Å; I390-I412 HydrophobicContact CG2-CG1 4.41Å; I390-I412 HydrophobicContact CG2-CG2 4.13Å; L408-I412 HydrophobicContact CD1-CD1 4.35Å; L408-I412 HydrophobicContact CG-CD1 3.99Å; L408-I412 WeakPolarHBondContact O-CG1 3.33Å; L408-I412 PolarHBondContact O-N 2.78Å; Y409-I412 PolarHBondContact O-N 2.71Å; I412-F416 WeakPolarHBondContact O-CB 3.12Å; I412-F416 PolarHBondContact O-N 3.36Å
413	T	98.6	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-48.2	-178.6	-55.2	0	0	0	0	111.9	Q357 W363 P392 Y409 E410 Y411 H415 F416 I417	Q357-T413 HydrophobicContact CG-CG2 3.93Å; W363-T413 HydrophobicContact CD2-CG2 4.45Å; W363-T413 HydrophobicContact CH2-CG2 4.15Å; W363-T413 HydrophobicContact CZ2-CG2 3.46Å; W363-T413 VanDerWaalsContact CZ2-CG2 3.46Å; P392-T413 HydrophobicContact CB-CG2 4.47Å; P392-T413 HydrophobicContact CG-CG2 4.28Å; Y409-T413 VanDerWaalsContact CE1-OG1 3.32Å; Y409-T413 WeakPolarHBondContact CE1-OG1 3.49Å; Y409-T413 VanDerWaalsContact CZ-OG1 3.27Å; Y409-T413 WeakPolarHBondContact O-CB 3.28Å; Y409-T413 PolarHBondContact O-N 3.12Å; Y409-T413 PolarHBondContact O-OG1 2.87Å; E410-T413 PolarHBondContact O-N 3.17Å; Y411-T413 PolarHBondContact O-N 2.9Å; T413-H415 VanDerWaalsContact C-N 3.31Å; T413-H415 PolarHBondContact O-N 3.4Å; T413-F416 PolarHBondContact O-N 3.31Å; T413-I417 HydrophobicContact CG2-CD1 4.04Å; T413-I417 VanDerWaalsContact O-CG1 3.3Å; T413-I417 WeakPolarHBondContact O-CG1 3.31Å; T413-I417 PolarHBondContact O-N 3.12Å
414	R	98.6	Very high	98.1	Very high	32 Å²	32	18.2 Å²	18.2	12%	0.121	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-39.8	176	-72.3	177.9	175.9	-85.6	9.5	111.9	W363 E410 Y411 I417 A418 V455	W363-R414 HydrophobicContact CE3-CG 3.81Å; W363-R414 HydrophobicContact CZ3-CG 3.93Å; E410-R414 WeakPolarHBondContact O-CB 3.42Å; E410-R414 VanDerWaalsContact O-CG 3.32Å; E410-R414 WeakPolarHBondContact O-CG 3.45Å; E410-R414 PolarHBondContact O-N 3.26Å; E410-R414 IonicContact OE1-CZ 3.87Å; E410-R414 IonicContact OE1-NE 2.98Å; E410-R414 PolarHBondContact OE1-NE 3.25Å; E410-R414 IonicContact OE1-NH2 3.67Å; E410-R414 PolarHBondContact OE1-NH2 3.06Å; Y411-R414 PolarHBondContact O-N 2.91Å; R414-I417 PolarHBondContact O-N 3.39Å; R414-A418 WeakPolarHBondContact O-CB 3.46Å; R414-A418 PolarHBondContact O-N 3.4Å; R414-V455 HydrophobicContact CB-CG2 4.01Å; R414-V455 WeakPolarHBondContact CD-O 3.3Å; R414-V455 HydrophobicContact CG-CG2 3.88Å; R414-V455 PolarHBondContact NH1-O 3.08Å
415	H	98.7	Very high	98.1	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.028	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-45.8	176.3	-169	105	0	0	0	111	P298 Q299 Y411 T413 I417 A418 T419	P298-H415 VanDerWaalsContact CB-CE1 3.49Å; P298-H415 WeakPolarHBondContact CB-CE1 3.42Å; Q299-H415 PolarHBondContact O-NE2 3.33Å; Y411-H415 HydrophobicContact CE2-CB 4.22Å; Y411-H415 AromaticContact CE2-ND1 3.95Å; Y411-H415 AromaticContact CZ-ND1 3.67Å; Y411-H415 WeakPolarHBondContact O-CB 3.18Å; Y411-H415 PolarHBondContact O-N 3.24Å; Y411-H415 PolarHBondContact OH-ND1 2.84Å; T413-H415 VanDerWaalsContact C-N 3.31Å; T413-H415 PolarHBondContact O-N 3.4Å; H415-I417 PolarHBondContact O-N 3.19Å; H415-A418 WeakPolarHBondContact O-CB 3.3Å; H415-A418 PolarHBondContact O-N 2.99Å; H415-T419 VanDerWaalsContact O-CG2 3.27Å; H415-T419 WeakPolarHBondContact O-CG2 3.27Å; H415-T419 PolarHBondContact O-N 3.32Å
416	F	98.6	Very high	98	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-56.7	-51.3	173.4	168.9	-104	0	0	0	111.8	L350 T353 L354 T391 P392 I412 T413 A418 T419 V420	L350-F416 HydrophobicContact CD2-CE2 3.93Å; L350-F416 HydrophobicContact CD2-CZ 4.44Å; T353-F416 HydrophobicContact CG2-CD1 4.34Å; T353-F416 HydrophobicContact CG2-CE1 3.65Å; T353-F416 HydrophobicContact CG2-CE2 4.14Å; T353-F416 HydrophobicContact CG2-CZ 3.53Å; L354-F416 HydrophobicContact CB-CE1 4.22Å; L354-F416 HydrophobicContact CD1-CE1 4.41Å; T391-F416 HydrophobicContact CG2-CD2 3.81Å; T391-F416 HydrophobicContact CG2-CE2 4.2Å; P392-F416 HydrophobicContact CG-CB 4.05Å; P392-F416 HydrophobicContact CG-CD1 3.75Å; P392-F416 HydrophobicContact CG-CE1 4.5Å; P392-F416 HydrophobicContact CG-CG 3.97Å; I412-F416 WeakPolarHBondContact O-CB 3.12Å; I412-F416 PolarHBondContact O-N 3.36Å; T413-F416 PolarHBondContact O-N 3.31Å; F416-A418 PolarHBondContact O-N 2.95Å; F416-T419 PolarHBondContact O-N 3.28Å; F416-T419 PolarHBondContact O-OG1 2.91Å; F416-V420 PolarHBondContact O-N 2.82Å
417	I	98.4	Very high	97.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-40.3	178.5	-63.1	163.2	0	0	0	110.6	L354 W363 V367 L370 T413 R414 H415 T419 V420 S421 V455	L354-I417 HydrophobicContact CD1-CG1 4.02Å; L354-I417 HydrophobicContact CD1-CG2 4.47Å; W363-I417 HydrophobicContact CB-CD1 4.09Å; W363-I417 HydrophobicContact CD2-CD1 4.15Å; W363-I417 HydrophobicContact CG-CD1 3.67Å; V367-I417 HydrophobicContact CG2-CD1 3.79Å; V367-I417 HydrophobicContact CG2-CG1 4.23Å; L370-I417 HydrophobicContact CD2-CG2 4.47Å; T413-I417 HydrophobicContact CG2-CD1 4.04Å; T413-I417 VanDerWaalsContact O-CG1 3.3Å; T413-I417 WeakPolarHBondContact O-CG1 3.31Å; T413-I417 PolarHBondContact O-N 3.12Å; R414-I417 PolarHBondContact O-N 3.39Å; H415-I417 PolarHBondContact O-N 3.19Å; I417-T419 VanDerWaalsContact C-N 3.35Å; I417-T419 PolarHBondContact O-N 3.4Å; I417-V420 VanDerWaalsContact O-CG2 3.26Å; I417-V420 WeakPolarHBondContact O-CG2 3.16Å; I417-V420 PolarHBondContact O-N 3.12Å; I417-S421 WeakPolarHBondContact O-CB 3.5Å; I417-S421 PolarHBondContact O-N 3.36Å; I417-S421 VanDerWaalsContact O-N 3.13Å; I417-S421 PolarHBondContact O-OG 3.5Å; I417-V455 HydrophobicContact CB-CG1 4.37Å; I417-V455 HydrophobicContact CB-CG2 4.21Å; I417-V455 HydrophobicContact CD1-CG2 4.28Å; I417-V455 HydrophobicContact CG2-CB 4.36Å; I417-V455 HydrophobicContact CG2-CG1 4.05Å; I417-V455 HydrophobicContact CG2-CG2 4.11Å
418	A	98.3	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-37.3	176.7	0	0	0	0	0	113.2	P298 R414 H415 F416 V420 S421 Y452 V455 M456	P298-A418 HydrophobicContact CG-CB 3.82Å; R414-A418 WeakPolarHBondContact O-CB 3.46Å; R414-A418 PolarHBondContact O-N 3.4Å; H415-A418 WeakPolarHBondContact O-CB 3.3Å; H415-A418 PolarHBondContact O-N 2.99Å; F416-A418 PolarHBondContact O-N 2.95Å; A418-V420 VanDerWaalsContact C-N 3.27Å; A418-V420 PolarHBondContact O-N 2.92Å; A418-S421 WeakPolarHBondContact O-CB 3.41Å; A418-S421 PolarHBondContact O-N 2.62Å; A418-S421 VanDerWaalsContact O-N 3.16Å; A418-Y452 HydrophobicContact CB-CD2 3.8Å; A418-Y452 HydrophobicContact CB-CG 4.3Å; A418-V455 HydrophobicContact CB-CG1 4.02Å; A418-M456 HydrophobicContact CB-CG 4.01Å; A418-M456 HydrophobicContact CB-SD 3.42Å; A418-M456 WeakPolarHBondContact CB-SD 3.25Å
419	T	98.2	Very high	97.5	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-30.8	179.8	67.4	0	0	0	0	113.2	R297 P298 Y344 H415 F416 I417	R297-T419 WeakPolarHBondContact CD-O 3.23Å; R297-T419 PolarHBondContact NE-O 3Å; P298-T419 HydrophobicContact CG-CG2 4.24Å; Y344-T419 PolarHBondContact OH-OG1 3.13Å; H415-T419 VanDerWaalsContact O-CG2 3.27Å; H415-T419 WeakPolarHBondContact O-CG2 3.27Å; H415-T419 PolarHBondContact O-N 3.32Å; F416-T419 PolarHBondContact O-N 3.28Å; F416-T419 PolarHBondContact O-OG1 2.91Å; I417-T419 VanDerWaalsContact C-N 3.35Å; I417-T419 PolarHBondContact O-N 3.4Å
420	V	97.5	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1.9	177.1	-66.5	0	0	0	0	113.2	L350 L354 L370 I375 N376 P378 F416 I417 A418	L350-V420 HydrophobicContact CD1-CG1 4.47Å; L350-V420 HydrophobicContact CD2-CG1 4.22Å; L354-V420 HydrophobicContact CD1-CG2 4.42Å; L354-V420 HydrophobicContact CD2-CG2 4.41Å; L370-V420 HydrophobicContact CD2-CG2 3.84Å; I375-V420 HydrophobicContact CB-CB 4.49Å; N376-V420 WeakPolarHBondContact CB-O 3.34Å; N376-V420 PolarHBondContact N-O 3.14Å; P378-V420 HydrophobicContact CG-CG1 3.94Å; F416-V420 PolarHBondContact O-N 2.82Å; I417-V420 VanDerWaalsContact O-CG2 3.26Å; I417-V420 WeakPolarHBondContact O-CG2 3.16Å; I417-V420 PolarHBondContact O-N 3.12Å; A418-V420 VanDerWaalsContact C-N 3.27Å; A418-V420 PolarHBondContact O-N 2.92Å
421	S	97.5	Very high	97.2	Very high	13 Å²	13	19.6 Å²	19.6	9%	0.091	10%	0.095	C	C	.	.	S	Bend	trans	-86.3	174.6	176	-66.5	0	0	0	0	112.6	R297 N376 I417 A418	R297-S421 WeakPolarHBondContact CD-O 3.49Å; N376-S421 VanDerWaalsContact CB-O 3.3Å; N376-S421 WeakPolarHBondContact CB-O 3.38Å; N376-S421 PolarHBondContact ND2-O 3.2Å; I417-S421 WeakPolarHBondContact O-CB 3.5Å; I417-S421 PolarHBondContact O-N 3.36Å; I417-S421 VanDerWaalsContact O-N 3.13Å; I417-S421 PolarHBondContact O-OG 3.5Å; A418-S421 WeakPolarHBondContact O-CB 3.41Å; A418-S421 PolarHBondContact O-N 2.62Å; A418-S421 VanDerWaalsContact O-N 3.16Å
422	Q	96.6	Very high	97.1	Very high	88 Å²	88	20.6 Å²	20.6	41%	0.411	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-77.3	155.9	170.9	-62.3	-60.5	-20.9	0	0	111.6	N376 G451 Y452	N376-Q422 PolarHBondContact ND2-OE1 3.29Å; Q422-G451 CarbonylContact O-C 3.51Å; Q422-G451 WeakPolarHBondContact O-CA 3.43Å; Q422-Y452 PolarHBondContact O-N 3.49Å
423	D	97.4	Very high	97	Very high	33 Å²	33	20.6 Å²	20.6	18%	0.176	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-67.6	156	173.3	-66	-30.3	0	0	0	111.4	V294 R297	V294-D423 HydrophobicContact CG1-CB 3.33Å; R297-D423 WeakPolarHBondContact CB-OD1 3.39Å; R297-D423 VanDerWaalsContact CG-OD1 3.27Å; R297-D423 WeakPolarHBondContact CG-OD1 3.48Å; R297-D423 IonicContact CZ-OD1 3.26Å; R297-D423 PolarHBondContact N-OD1 2.99Å; R297-D423 IonicContact NH1-OD1 2.63Å; R297-D423 PolarHBondContact NH1-OD1 3.3Å; R297-D423 IonicContact NH1-OD2 2.62Å; R297-D423 PolarHBondContact NH1-OD2 3.16Å; R297-D423 VanDerWaalsContact NH1-OD2 3.15Å
424	C	97.6	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.1	173.7	170.3	0	0	0	0	109.6	V294 K295 P450 Y452 T453	V294-C424 CarbonylContact C-O 3.56Å; V294-C424 WeakPolarHBondContact CA-O 3.31Å; K295-C424 HydrophobicContact CB-CB 4.09Å; K295-C424 PolarHBondContact N-O 2.96Å; K295-C424 PolarHBondContact O-N 3.14Å; C424-P450 VanDerWaalsContact CB-O 3.3Å; C424-P450 WeakPolarHBondContact CB-O 3.47Å; C424-Y452 HydrophobicContact CB-CD1 4.29Å; C424-Y452 HydrophobicContact CB-CE1 4.07Å; C424-T453 HydrophobicContact CB-CG2 3.84Å
425	Q	97.6	Very high	96.8	Very high	96 Å²	96	25.1 Å²	25.1	45%	0.449	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.4	-179.6	-61.7	-179	-6.1	0	0	109.9	I448 S449	Q425-I448 HydrophobicContact CB-CB 4.25Å; Q425-I448 WeakPolarHBondContact O-CB 3.13Å; Q425-I448 PolarHBondContact O-N 3.28Å; Q425-S449 PolarHBondContact N-O 3.38Å; Q425-S449 PolarHBondContact O-N 2.92Å
426	Y	95.7	Very high	96.5	Very high	29 Å²	29	26.4 Å²	26.4	11%	0.114	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149.2	179.6	66.8	-81.1	0	0	0	111.1	K293 K295 Q428 K445 T446 I461	K293-Y426 HydrophobicContact CB-CD1 4.3Å; K293-Y426 HydrophobicContact CB-CD2 4.22Å; K293-Y426 HydrophobicContact CB-CE1 3.71Å; K293-Y426 HydrophobicContact CB-CE2 3.64Å; K293-Y426 WeakPolarHBondContact CB-OH 3.35Å; K293-Y426 HydrophobicContact CD-CE2 4.08Å; K293-Y426 WeakPolarHBondContact CD-OH 3.25Å; K293-Y426 HydrophobicContact CG-CE2 4.38Å; K293-Y426 PolarHBondContact N-O 3.1Å; K293-Y426 WeakPolarHBondContact O-CD1 3.47Å; K293-Y426 PolarHBondContact O-N 3.14Å; K293-Y426 VanDerWaalsContact O-O 3.11Å; K295-Y426 HydrophobicContact CB-CD1 4.47Å; K295-Y426 HydrophobicContact CB-CE1 4.04Å; Y426-Q428 HydrophobicContact CE2-CB 4.29Å; Y426-K445 HydrophobicContact CD2-CB 4.17Å; Y426-K445 HydrophobicContact CD2-CD 4.12Å; Y426-K445 HydrophobicContact CD2-CG 3.96Å; Y426-K445 HydrophobicContact CE2-CD 3.95Å; Y426-K445 HydrophobicContact CE2-CG 4.05Å; Y426-T446 CarbonylContact C-O 3.6Å; Y426-T446 VanDerWaalsContact CA-O 3.31Å; Y426-T446 WeakPolarHBondContact CA-O 3.23Å; Y426-T446 WeakPolarHBondContact CB-O 3.25Å; Y426-I461 HydrophobicContact CD1-CD1 4.02Å; Y426-I461 HydrophobicContact CD1-CG1 4.33Å; Y426-I461 HydrophobicContact CE1-CD1 4.31Å; Y426-I461 HydrophobicContact CG-CD1 4.21Å; Y426-I461 HydrophobicContact CG-CG1 4.3Å
427	L	94.7	Very high	96.1	Very high	41 Å²	41	31 Å²	31	22%	0.215	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.1	172.9	-170.1	66.9	0	0	0	108.6	K290 D292 K445 T446 I448	K290-L427 HydrophobicContact CB-CD1 4.16Å; K290-L427 HydrophobicContact CD-CD2 4.39Å; D292-L427 VanDerWaalsContact OD1-CD1 3.25Å; D292-L427 WeakPolarHBondContact OD1-CD1 3.39Å; L427-K445 WeakPolarHBondContact O-CA 3.4Å; L427-T446 PolarHBondContact N-O 2.82Å; L427-T446 PolarHBondContact O-N 3.38Å; L427-I448 HydrophobicContact CB-CD1 4.07Å; L427-I448 HydrophobicContact CB-CG1 4.29Å
428	Q	94.8	Very high	96	Very high	17 Å²	17	31.2 Å²	31.2	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.2	167.5	-177.4	74.2	64.4	0	0	108.4	K290 K291 K293 Y426 G444	K290-Q428 WeakPolarHBondContact CA-O 3.23Å; K291-Q428 PolarHBondContact N-O 3.35Å; K291-Q428 PolarHBondContact O-N 2.67Å; K293-Q428 HydrophobicContact CD-CB 3.86Å; K293-Q428 HydrophobicContact CD-CG 4.34Å; K293-Q428 HydrophobicContact CG-CB 4.16Å; Y426-Q428 HydrophobicContact CE2-CB 4.29Å; Q428-G444 PolarHBondContact NE2-O 3.06Å; Q428-G444 VanDerWaalsContact NE2-O 3.13Å
429	T	94.2	Very high	95.9	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130	168.8	-55.6	0	0	0	0	108.5	V288 S289 K290 I431 S443 G444	V288-T429 HydrophobicContact CG1-CG2 4.46Å; S289-T429 CarbonylContact O-C 3.53Å; S289-T429 WeakPolarHBondContact O-CA 3.37Å; K290-T429 HydrophobicContact CG-CG2 4.09Å; T429-I431 HydrophobicContact CG2-CG1 4.31Å; T429-S443 CarbonylContact O-C 3.56Å; T429-S443 VanDerWaalsContact O-CA 3.28Å; T429-S443 WeakPolarHBondContact O-CA 3.28Å; T429-G444 PolarHBondContact N-O 3.44Å; T429-G444 PolarHBondContact O-N 2.89Å
430	T	95.1	Very high	95.9	Very high	29 Å²	29	32.6 Å²	32.6	18%	0.178	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.2	172.5	-60.7	0	0	0	0	108.2	S289 C442 S443	S289-T430 PolarHBondContact N-O 2.93Å; S289-T430 PolarHBondContact O-N 3.02Å; S289-T430 PolarHBondContact OG-O 3.2Å; T430-C442 WeakPolarHBondContact CA-O 3.16Å; T430-S443 WeakPolarHBondContact CG2-OG 3.43Å; T430-S443 PolarHBondContact OG1-OG 2.68Å
431	I	95.6	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.2	177.6	-53.5	166.4	0	0	0	107.2	V285 S287 V288 T429 F433 S441 C442 M467	V285-I431 HydrophobicContact CG1-CG2 3.9Å; V285-I431 HydrophobicContact CG2-CG2 4.34Å; S287-I431 WeakPolarHBondContact O-CA 3.49Å; V288-I431 HydrophobicContact CG1-CG1 4.34Å; V288-I431 HydrophobicContact CG2-CG1 4.48Å; V288-I431 HydrophobicContact CG2-CG2 4.26Å; T429-I431 HydrophobicContact CG2-CG1 4.31Å; I431-F433 HydrophobicContact CB-CD2 4.48Å; I431-F433 HydrophobicContact CB-CE2 3.73Å; I431-F433 HydrophobicContact CB-CZ 4.23Å; I431-F433 HydrophobicContact CG2-CD2 3.97Å; I431-F433 HydrophobicContact CG2-CE1 4.22Å; I431-F433 HydrophobicContact CG2-CE2 3.3Å; I431-F433 HydrophobicContact CG2-CZ 3.46Å; I431-F433 VanDerWaalsContact CG2-CZ 3.46Å; I431-S441 CarbonylContact O-C 3.59Å; I431-S441 VanDerWaalsContact O-CA 3.27Å; I431-S441 WeakPolarHBondContact O-CA 3.38Å; I431-C442 PolarHBondContact N-O 2.89Å; I431-C442 PolarHBondContact O-N 2.85Å; I431-M467 HydrophobicContact CD1-CE 3.66Å; I431-M467 HydrophobicContact CG1-CE 4.26Å
432	D	97	Very high	95.7	Very high	34 Å²	34	33.5 Å²	33.5	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.2	176.6	-57.2	-59.1	0	0	0	109.5	E286 S287 F440 S441	E286-D432 HydrophobicContact CB-CB 4.47Å; E286-D432 PolarHBondContact N-O 2.88Å; S287-D432 PolarHBondContact O-N 2.81Å; S287-D432 WeakPolarHBondContact OG-CB 3.41Å; S287-D432 PolarHBondContact OG-OD2 3.03Å; D432-F440 CarbonylContact C-O 3.58Å; D432-F440 WeakPolarHBondContact CA-O 3.38Å; D432-S441 WeakPolarHBondContact OD1-CB 3.26Å
433	F	97.1	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.1	-178.1	-66.3	-93.6	0	0	0	110.8	V247 L255 L257 A283 Q284 V285 I431 A439 F440 F476	V247-F433 HydrophobicContact CG2-CE1 4.41Å; L255-F433 HydrophobicContact CD1-CZ 4.49Å; L257-F433 HydrophobicContact CD1-CB 3.93Å; L257-F433 HydrophobicContact CD1-CD2 3.88Å; L257-F433 HydrophobicContact CD1-CG 3.87Å; L257-F433 HydrophobicContact CD2-CD2 3.69Å; L257-F433 HydrophobicContact CD2-CE2 3.66Å; L257-F433 HydrophobicContact CD2-CG 4.46Å; L257-F433 HydrophobicContact CD2-CZ 4.39Å; L257-F433 HydrophobicContact CG-CD2 4.44Å; A283-F433 HydrophobicContact CB-CD1 4.02Å; Q284-F433 CarbonylContact O-C 3.59Å; Q284-F433 VanDerWaalsContact O-CA 3.27Å; Q284-F433 WeakPolarHBondContact O-CA 2.77Å; V285-F433 HydrophobicContact CG2-CD1 4.01Å; V285-F433 HydrophobicContact CG2-CE1 3.61Å; V285-F433 HydrophobicContact CG2-CZ 4.3Å; I431-F433 HydrophobicContact CB-CD2 4.48Å; I431-F433 HydrophobicContact CB-CE2 3.73Å; I431-F433 HydrophobicContact CB-CZ 4.23Å; I431-F433 HydrophobicContact CG2-CD2 3.97Å; I431-F433 HydrophobicContact CG2-CE1 4.22Å; I431-F433 HydrophobicContact CG2-CE2 3.3Å; I431-F433 HydrophobicContact CG2-CZ 3.46Å; I431-F433 VanDerWaalsContact CG2-CZ 3.46Å; F433-A439 WeakPolarHBondContact O-CA 3.41Å; F433-F440 HydrophobicContact CB-CB 4.45Å; F433-F440 PolarHBondContact N-O 3.32Å; F433-F440 PolarHBondContact O-N 2.82Å; F433-F476 HydrophobicContact CE1-CB 4.43Å; F433-F476 HydrophobicContact CE1-CD1 4.34Å; F433-F476 AromaticContact CE1-CD2 3.73Å; F433-F476 HydrophobicContact CE1-CD2 3.73Å; F433-F476 HydrophobicContact CE1-CE2 4Å; F433-F476 AromaticContact CE1-CG 3.93Å; F433-F476 HydrophobicContact CE1-CG 3.93Å; F433-F476 HydrophobicContact CE1-CZ 4.43Å; F433-F476 HydrophobicContact CZ-CE2 4.45Å; F433-F476 HydrophobicContact CZ-CZ 4.48Å
434	R	96.8	Very high	95.3	Very high	126 Å²	126	30.7 Å²	30.7	48%	0.475	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.2	166.6	-175.8	176.7	-67.8	-175.8	2.8	110.3	A283 Q284 E286 G436	A283-R434 WeakPolarHBondContact CA-O 3.43Å; Q284-R434 PolarHBondContact N-O 3.17Å; Q284-R434 PolarHBondContact O-N 3.42Å; E286-R434 HydrophobicContact CG-CB 3.76Å; E286-R434 IonicContact OE1-CZ 3.45Å; E286-R434 IonicContact OE1-NE 2.69Å; E286-R434 PolarHBondContact OE1-NE 2.66Å; E286-R434 IonicContact OE1-NH2 3.4Å; E286-R434 PolarHBondContact OE1-NH2 3.44Å; R434-G436 VanDerWaalsContact CG-O 3.29Å; R434-G436 WeakPolarHBondContact CG-O 3.44Å
435	I	96.1	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	105.1	172.2	-54.1	179.9	0	0	0	107.9	A245 V247 L257 A277 A283 T437 E438 F440 V478 I481	A245-I435 HydrophobicContact CB-CD1 3.71Å; V247-I435 HydrophobicContact CG1-CD1 4.12Å; L257-I435 HydrophobicContact CD1-CD1 4.15Å; A277-I435 HydrophobicContact CB-CG2 4.33Å; A283-I435 HydrophobicContact CB-CD1 3.9Å; A283-I435 HydrophobicContact CB-CG1 3.56Å; I435-T437 PolarHBondContact O-N 3.02Å; I435-E438 PolarHBondContact N-O 2.69Å; I435-E438 PolarHBondContact O-N 3.13Å; I435-E438 VanDerWaalsContact O-N 3.08Å; I435-F440 HydrophobicContact CB-CD2 4.26Å; I435-F440 HydrophobicContact CB-CE2 4.01Å; I435-F440 HydrophobicContact CD1-CD2 3.96Å; I435-F440 HydrophobicContact CD1-CE2 4.02Å; I435-F440 HydrophobicContact CG1-CD2 4.05Å; I435-F440 HydrophobicContact CG1-CE2 4.2Å; I435-V478 HydrophobicContact CD1-CG2 4.14Å; I435-V478 HydrophobicContact CG1-CG2 4.48Å; I435-V478 HydrophobicContact CG2-CG2 4.1Å; I435-I481 HydrophobicContact CG2-CD1 3.91Å
436	G	91.4	Very high	94.8	Very high	34 Å²	34	33.1 Å²	33.1	35%	0.351	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-119	-170	0	0	0	0	0	110.7	R434	R434-G436 VanDerWaalsContact CG-O 3.29Å; R434-G436 WeakPolarHBondContact CG-O 3.44Å
437	T	91.3	Very high	94.8	Very high	97 Å²	97	35.5 Å²	35.5	60%	0.595	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-5.1	176.4	59.1	0	0	0	0	113.8	I435	I435-T437 PolarHBondContact O-N 3.02Å
438	E	95.9	Very high	94.8	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.5	-171.8	-68.4	-60.4	120.3	0	0	112.1	W259 R261 F273 I435 F440	W259-E438 PolarHBondContact NE1-OE2 2.98Å; R261-E438 IonicContact CZ-OE1 2.76Å; R261-E438 IonicContact CZ-OE2 3.56Å; R261-E438 IonicContact NE-OE1 2.79Å; R261-E438 IonicContact NE-OE2 2.67Å; R261-E438 PolarHBondContact NE-OE2 3.29Å; R261-E438 IonicContact NH2-OE1 3.57Å; R261-E438 PolarHBondContact NH2-OE1 3.09Å; R261-E438 IonicContact NH2-OE2 3.67Å; F273-E438 VanDerWaalsContact CD1-CD 3.46Å; F273-E438 HydrophobicContact CD1-CG 4.14Å; F273-E438 VanDerWaalsContact CD1-OE1 3.32Å; F273-E438 WeakPolarHBondContact CD1-OE1 3.37Å; F273-E438 WeakPolarHBondContact CE1-OE1 3.46Å; I435-E438 PolarHBondContact N-O 2.69Å; I435-E438 PolarHBondContact O-N 3.13Å; I435-E438 VanDerWaalsContact O-N 3.08Å; E438-F440 HydrophobicContact CB-CE2 3.81Å; E438-F440 HydrophobicContact CB-CZ 4.43Å
439	A	96.8	Very high	94.8	Very high	31 Å²	31	39 Å²	39	26%	0.256	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.6	-179.2	0	0	0	0	0	111.1	N260 F433	N260-A439 HydrophobicContact CB-CB 4.23Å; N260-A439 WeakPolarHBondContact CB-O 3.42Å; N260-A439 PolarHBondContact N-O 2.78Å; F433-A439 WeakPolarHBondContact O-CA 3.41Å
440	F	97.4	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	161.4	178.1	-63.1	-98.9	0	0	0	109.7	L243 A245 L257 D258 W259 D432 F433 I435 E438	L243-F440 HydrophobicContact CB-CE1 4.49Å; L243-F440 HydrophobicContact CD2-CE1 4.18Å; L243-F440 HydrophobicContact CD2-CZ 3.56Å; L243-F440 HydrophobicContact CG-CE1 4.02Å; L243-F440 HydrophobicContact CG-CZ 3.82Å; A245-F440 HydrophobicContact CB-CD1 4.1Å; A245-F440 HydrophobicContact CB-CE1 3.83Å; A245-F440 HydrophobicContact CB-CZ 4.11Å; L257-F440 HydrophobicContact CB-CB 3.78Å; L257-F440 HydrophobicContact CB-CD1 4.13Å; L257-F440 HydrophobicContact CB-CG 4.28Å; L257-F440 HydrophobicContact CD1-CB 3.9Å; L257-F440 HydrophobicContact CD1-CG 4.41Å; L257-F440 HydrophobicContact CG-CB 4.5Å; D258-F440 CarbonylContact O-C 3.52Å; D258-F440 VanDerWaalsContact O-CA 3.24Å; D258-F440 WeakPolarHBondContact O-CA 3.21Å; W259-F440 HydrophobicContact CB-CD1 3.94Å; W259-F440 HydrophobicContact CB-CE1 3.82Å; W259-F440 AromaticContact CD1-CE1 3.88Å; W259-F440 HydrophobicContact CG-CD1 4.47Å; W259-F440 HydrophobicContact CG-CE1 4.1Å; D432-F440 CarbonylContact C-O 3.58Å; D432-F440 WeakPolarHBondContact CA-O 3.38Å; F433-F440 HydrophobicContact CB-CB 4.45Å; F433-F440 PolarHBondContact N-O 3.32Å; F433-F440 PolarHBondContact O-N 2.82Å; I435-F440 HydrophobicContact CB-CD2 4.26Å; I435-F440 HydrophobicContact CB-CE2 4.01Å; I435-F440 HydrophobicContact CD1-CD2 3.96Å; I435-F440 HydrophobicContact CD1-CE2 4.02Å; I435-F440 HydrophobicContact CG1-CD2 4.05Å; I435-F440 HydrophobicContact CG1-CE2 4.2Å; E438-F440 HydrophobicContact CB-CE2 3.81Å; E438-F440 HydrophobicContact CB-CZ 4.43Å
441	S	96.1	Very high	94.9	Very high	23 Å²	23	40.3 Å²	40.3	16%	0.161	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154	173.6	54.7	0	0	0	0	111.2	D258 N260 I431 D432	D258-S441 PolarHBondContact N-O 3.46Å; D258-S441 PolarHBondContact O-N 2.92Å; N260-S441 PolarHBondContact OD1-N 2.96Å; N260-S441 PolarHBondContact OD1-OG 3.47Å; N260-S441 VanDerWaalsContact OD1-OG 3.08Å; I431-S441 CarbonylContact O-C 3.59Å; I431-S441 VanDerWaalsContact O-CA 3.27Å; I431-S441 WeakPolarHBondContact O-CA 3.38Å; D432-S441 WeakPolarHBondContact OD1-CB 3.26Å
442	C	93.9	Very high	95	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.054	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.8	161.7	66.4	0	0	0	0	109.4	L257 T430 I431 M467	L257-C442 HydrophobicContact CD2-CB 3.81Å; T430-C442 WeakPolarHBondContact CA-O 3.16Å; I431-C442 PolarHBondContact N-O 2.89Å; I431-C442 PolarHBondContact O-N 2.85Å; C442-M467 HydrophobicContact CB-CE 4.28Å; C442-M467 WeakPolarHBondContact SG-CE 3.5Å
443	S	92.7	Very high	95	Very high	61 Å²	61	39.1 Å²	39.1	43%	0.427	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133	-173.7	-75.3	0	0	0	0	110	T429 T430	T429-S443 CarbonylContact O-C 3.56Å; T429-S443 VanDerWaalsContact O-CA 3.28Å; T429-S443 WeakPolarHBondContact O-CA 3.28Å; T430-S443 WeakPolarHBondContact CG2-OG 3.43Å; T430-S443 PolarHBondContact OG1-OG 2.68Å
444	G	92.4	Very high	95	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.3	176	0	0	0	0	0	111.7	Q428 T429 E464	Q428-G444 PolarHBondContact NE2-O 3.06Å; Q428-G444 VanDerWaalsContact NE2-O 3.13Å; T429-G444 PolarHBondContact N-O 3.44Å; T429-G444 PolarHBondContact O-N 2.89Å; G444-E464 WeakPolarHBondContact CA-OE2 3.05Å
445	K	94	Very high	95	Very high	73 Å²	73	36.3 Å²	36.3	32%	0.317	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	179.6	-64.6	174.2	-171.7	161.3	0	110.9	Y426 L427 I461 E464	Y426-K445 HydrophobicContact CD2-CB 4.17Å; Y426-K445 HydrophobicContact CD2-CD 4.12Å; Y426-K445 HydrophobicContact CD2-CG 3.96Å; Y426-K445 HydrophobicContact CE2-CD 3.95Å; Y426-K445 HydrophobicContact CE2-CG 4.05Å; L427-K445 WeakPolarHBondContact O-CA 3.4Å; K445-I461 HydrophobicContact CB-CG2 3.81Å; K445-I461 HydrophobicContact CD-CG2 4.19Å; K445-E464 PolarHBondContact N-OE2 3.23Å
446	T	92.8	Very high	95	Very high	73 Å²	73	36.4 Å²	36.4	45%	0.448	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.4	172.9	-51.8	0	0	0	0	109.2	Y426 L427 I448	Y426-T446 CarbonylContact C-O 3.6Å; Y426-T446 VanDerWaalsContact CA-O 3.31Å; Y426-T446 WeakPolarHBondContact CA-O 3.23Å; Y426-T446 WeakPolarHBondContact CB-O 3.25Å; L427-T446 PolarHBondContact N-O 2.82Å; L427-T446 PolarHBondContact O-N 3.38Å; T446-I448 PolarHBondContact O-N 2.97Å
447	L	94.9	Very high	95.2	Very high	80 Å²	80	38.5 Å²	38.5	42%	0.419	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.6	178.4	-175.3	66.5	0	0	0	110.2	P450 I461	L447-P450 HydrophobicContact CD2-CB 4.26Å; L447-I461 HydrophobicContact CD1-CB 4.35Å; L447-I461 HydrophobicContact CD1-CG1 4.16Å
448	I	95.1	Very high	95.4	Very high	89 Å²	89	40.7 Å²	40.7	46%	0.456	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-51.1	174	-59.3	168.9	0	0	0	109.1	Q425 L427 T446	Q425-I448 HydrophobicContact CB-CB 4.25Å; Q425-I448 WeakPolarHBondContact O-CB 3.13Å; Q425-I448 PolarHBondContact O-N 3.28Å; L427-I448 HydrophobicContact CB-CD1 4.07Å; L427-I448 HydrophobicContact CB-CG1 4.29Å; T446-I448 PolarHBondContact O-N 2.97Å
449	S	94.9	Very high	95.4	Very high	43 Å²	43	43.2 Å²	43.2	30%	0.301	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	127.4	177.5	178.4	0	0	0	0	110.3	Q425 G451	Q425-S449 PolarHBondContact N-O 3.38Å; Q425-S449 PolarHBondContact O-N 2.92Å; S449-G451 VanDerWaalsContact C-N 3.31Å; S449-G451 PolarHBondContact O-N 3.35Å
450	P	95.3	Very high	95.2	Very high	48 Å²	48	43 Å²	43	31%	0.312	25%	0.246	S	C	.	.			trans	-66.5	-30.7	-179.9	26.5	-33.7	0	0	0	113	C424 L447 Y452 T453 T454	C424-P450 VanDerWaalsContact CB-O 3.3Å; C424-P450 WeakPolarHBondContact CB-O 3.47Å; L447-P450 HydrophobicContact CD2-CB 4.26Å; P450-Y452 PolarHBondContact O-N 2.85Å; P450-T453 PolarHBondContact O-N 3.12Å; P450-T453 PolarHBondContact O-OG1 3.19Å; P450-T454 WeakPolarHBondContact CB-OG1 3.18Å; P450-T454 WeakPolarHBondContact CG-OG1 3.45Å
451	G	96.1	Very high	95	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	50.2	-131.1	-175.6	0	0	0	0	0	111.8	Q422 S449 T453 T454	Q422-G451 CarbonylContact O-C 3.51Å; Q422-G451 WeakPolarHBondContact O-CA 3.43Å; S449-G451 VanDerWaalsContact C-N 3.31Å; S449-G451 PolarHBondContact O-N 3.35Å; G451-T453 PolarHBondContact O-N 2.89Å; G451-T453 VanDerWaalsContact O-N 3.13Å; G451-T454 PolarHBondContact O-N 3.49Å; G451-T454 PolarHBondContact O-OG1 3.07Å
452	Y	97.3	Very high	94.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-62	-18.7	180	86.5	-83.2	0	0	0	114.6	R297 A418 Q422 C424 P450 T454 V455 M456 Q459	R297-Y452 HydrophobicContact CB-CD1 3.78Å; R297-Y452 HydrophobicContact CB-CE1 4.36Å; R297-Y452 HydrophobicContact CB-CG 3.89Å; A418-Y452 HydrophobicContact CB-CD2 3.8Å; A418-Y452 HydrophobicContact CB-CG 4.3Å; Q422-Y452 PolarHBondContact O-N 3.49Å; C424-Y452 HydrophobicContact CB-CD1 4.29Å; C424-Y452 HydrophobicContact CB-CE1 4.07Å; P450-Y452 PolarHBondContact O-N 2.85Å; Y452-T454 PolarHBondContact O-N 3.49Å; Y452-V455 VanDerWaalsContact O-CG1 3.23Å; Y452-V455 WeakPolarHBondContact O-CG1 3.37Å; Y452-V455 PolarHBondContact O-N 3.27Å; Y452-M456 HydrophobicContact CD2-CB 4.3Å; Y452-M456 HydrophobicContact CD2-SD 4.07Å; Y452-M456 HydrophobicContact CE2-CB 4.41Å; Y452-M456 HydrophobicContact CE2-SD 4.21Å; Y452-M456 PolarHBondContact O-N 3.41Å; Y452-M456 VanDerWaalsContact O-N 3.15Å; Y452-Q459 HydrophobicContact CE2-CB 4.12Å; Y452-Q459 PolarHBondContact OH-OE1 3.47Å
453	T	97.1	Very high	94.2	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.055	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-73.1	-10.8	-178.4	68.6	0	0	0	0	112.8	C424 P450 G451 M456 P457 Q459	C424-T453 HydrophobicContact CB-CG2 3.84Å; P450-T453 PolarHBondContact O-N 3.12Å; P450-T453 PolarHBondContact O-OG1 3.19Å; G451-T453 PolarHBondContact O-N 2.89Å; G451-T453 VanDerWaalsContact O-N 3.13Å; T453-M456 CarbonylContact O-C 3.24Å; T453-P457 VanDerWaalsContact O-CA 3.24Å; T453-P457 WeakPolarHBondContact O-CA 3.47Å; T453-Q459 HydrophobicContact CG2-CB 4.31Å; T453-Q459 VanDerWaalsContact CG2-O 3.25Å; T453-Q459 WeakPolarHBondContact CG2-O 3.5Å
454	T	95.8	Very high	93.7	Very high	63 Å²	63	56.4 Å²	56.4	39%	0.387	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.3	-44.9	168.7	-54	0	0	0	0	111	E366 P450 G451 Y452	E366-T454 HydrophobicContact CG-CG2 3.65Å; E366-T454 WeakPolarHBondContact OE1-CG2 3.33Å; P450-T454 WeakPolarHBondContact CB-OG1 3.18Å; P450-T454 WeakPolarHBondContact CG-OG1 3.45Å; G451-T454 PolarHBondContact O-N 3.49Å; G451-T454 PolarHBondContact O-OG1 3.07Å; Y452-T454 PolarHBondContact O-N 3.49Å
455	V	96.9	Very high	92.9	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.024	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-19.8	178.6	69	0	0	0	0	112.8	W363 R414 I417 A418 Y452 P457	W363-V455 HydrophobicContact CB-CG2 4.36Å; R414-V455 HydrophobicContact CB-CG2 4.01Å; R414-V455 WeakPolarHBondContact CD-O 3.3Å; R414-V455 HydrophobicContact CG-CG2 3.88Å; R414-V455 PolarHBondContact NH1-O 3.08Å; I417-V455 HydrophobicContact CB-CG1 4.37Å; I417-V455 HydrophobicContact CB-CG2 4.21Å; I417-V455 HydrophobicContact CD1-CG2 4.28Å; I417-V455 HydrophobicContact CG2-CB 4.36Å; I417-V455 HydrophobicContact CG2-CG1 4.05Å; I417-V455 HydrophobicContact CG2-CG2 4.11Å; A418-V455 HydrophobicContact CB-CG1 4.02Å; Y452-V455 VanDerWaalsContact O-CG1 3.23Å; Y452-V455 WeakPolarHBondContact O-CG1 3.37Å; Y452-V455 PolarHBondContact O-N 3.27Å; V455-P457 VanDerWaalsContact C-CD 3.49Å; V455-P457 WeakPolarHBondContact O-CD 3.42Å
456	M	97.3	Very high	92.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	37%	0.367	C	S	.	.			trans	-121.1	71.7	173.5	-65.3	-177.4	80.1	0	0	111.5	P298 Y411 A418 Y452 T453 W458 Q459	P298-M456 HydrophobicContact CG-SD 4.12Å; Y411-M456 HydrophobicContact CE2-CE 4.2Å; A418-M456 HydrophobicContact CB-CG 4.01Å; A418-M456 HydrophobicContact CB-SD 3.42Å; A418-M456 WeakPolarHBondContact CB-SD 3.25Å; Y452-M456 HydrophobicContact CD2-CB 4.3Å; Y452-M456 HydrophobicContact CD2-SD 4.07Å; Y452-M456 HydrophobicContact CE2-CB 4.41Å; Y452-M456 HydrophobicContact CE2-SD 4.21Å; Y452-M456 PolarHBondContact O-N 3.41Å; Y452-M456 VanDerWaalsContact O-N 3.15Å; T453-M456 CarbonylContact O-C 3.24Å; M456-W458 VanDerWaalsContact C-N 3.27Å; M456-W458 HydrophobicContact CB-CZ2 4.12Å; M456-W458 HydrophobicContact CE-CZ2 3.75Å; M456-W458 HydrophobicContact CG-CH2 4.49Å; M456-W458 HydrophobicContact CG-CZ2 3.97Å; M456-W458 PolarHBondContact O-N 3.42Å; M456-Q459 PolarHBondContact O-N 3.22Å
457	P	95	Very high	91.7	Very high	79 Å²	79	63.2 Å²	63.2	51%	0.513	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-63.3	-28.1	-170.7	23.2	-34.3	0	0	0	114.2	T453 V455 Q459 G460	T453-P457 VanDerWaalsContact O-CA 3.24Å; T453-P457 WeakPolarHBondContact O-CA 3.47Å; V455-P457 VanDerWaalsContact C-CD 3.49Å; V455-P457 WeakPolarHBondContact O-CD 3.42Å; P457-Q459 PolarHBondContact O-N 3.33Å; P457-Q459 VanDerWaalsContact O-N 3.14Å; P457-G460 PolarHBondContact O-N 2.93Å
458	W	95.1	Very high	91.3	Very high	142 Å²	142	60.7 Å²	60.7	54%	0.538	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-66	-11.4	173.8	57.2	87.5	0	0	0	113.7	Y411 M456	Y411-W458 HydrophobicContact CD2-CZ2 4.24Å; M456-W458 VanDerWaalsContact C-N 3.27Å; M456-W458 HydrophobicContact CB-CZ2 4.12Å; M456-W458 HydrophobicContact CE-CZ2 3.75Å; M456-W458 HydrophobicContact CG-CH2 4.49Å; M456-W458 HydrophobicContact CG-CZ2 3.97Å; M456-W458 PolarHBondContact O-N 3.42Å
459	Q	95.6	Very high	90.9	Very high	59 Å²	59	61 Å²	61	28%	0.276	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-102.3	8.6	170	-58.7	-160.6	2.9	0	0	113.1	K295 Y452 T453 M456 P457	K295-Q459 WeakPolarHBondContact CE-O 3.44Å; K295-Q459 PolarHBondContact NZ-O 3.39Å; Y452-Q459 HydrophobicContact CE2-CB 4.12Å; Y452-Q459 PolarHBondContact OH-OE1 3.47Å; T453-Q459 HydrophobicContact CG2-CB 4.31Å; T453-Q459 VanDerWaalsContact CG2-O 3.25Å; T453-Q459 WeakPolarHBondContact CG2-O 3.5Å; M456-Q459 PolarHBondContact O-N 3.22Å; P457-Q459 PolarHBondContact O-N 3.33Å; P457-Q459 VanDerWaalsContact O-N 3.14Å
460	G	93.8	Very high	90.6	Very high	25 Å²	25	59.9 Å²	59.9	26%	0.258	35%	0.352	S	S	.	.	S	Bend	trans	-60.6	162.2	176.7	0	0	0	0	0	113.8	P457	P457-G460 PolarHBondContact O-N 2.93Å
461	I	92.6	Very high	90.5	Very high	27 Å²	27	64.6 Å²	64.6	14%	0.138	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-78.9	123.3	165.9	-57.8	-60.6	0	0	0	107	K295 Y426 K445 L447	K295-I461 HydrophobicContact CD-CD1 4.22Å; Y426-I461 HydrophobicContact CD1-CD1 4.02Å; Y426-I461 HydrophobicContact CD1-CG1 4.33Å; Y426-I461 HydrophobicContact CE1-CD1 4.31Å; Y426-I461 HydrophobicContact CG-CD1 4.21Å; Y426-I461 HydrophobicContact CG-CG1 4.3Å; K445-I461 HydrophobicContact CB-CG2 3.81Å; K445-I461 HydrophobicContact CD-CG2 4.19Å; L447-I461 HydrophobicContact CD1-CB 4.35Å; L447-I461 HydrophobicContact CD1-CG1 4.16Å
462	P	88.9	Confident	90.3	Very high	85 Å²	85	68.2 Å²	68.2	55%	0.552	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-56.5	146.2	175.9	-23.6	33.8	0	0	0	111.2	E464	P462-E464 PolarHBondContact O-N 2.72Å; P462-E464 VanDerWaalsContact O-N 3.16Å
463	L	85.1	Confident	90.1	Very high	185 Å²	185	70 Å²	70	97%	0.969	41%	0.41	S	S	*	.			trans	-76.1	105.2	174.4	-150	125.6	0	0	0	108
464	E	81.6	Confident	90	Very high	78 Å²	78	71.7 Å²	71.7	36%	0.364	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-96.2	154.1	176.8	-68.2	171.5	-171.5	0	0	109.6	G444 K445 P462	G444-E464 WeakPolarHBondContact CA-OE2 3.05Å; K445-E464 PolarHBondContact N-OE2 3.23Å; P462-E464 PolarHBondContact O-N 2.72Å; P462-E464 VanDerWaalsContact O-N 3.16Å
465	E	75.4	Confident	89.9	Confident	153 Å²	153	72.1 Å²	72.1	72%	0.715	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-60.2	143.3	171.2	-71	-176.2	-178.9	0	0	110.1	M467	E465-M467 PolarHBondContact O-N 2.86Å
466	A	77	Confident	89.8	Confident	95 Å²	95	72.1 Å²	72.1	79%	0.785	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-62.3	129	179.4	0	0	0	0	0	110
467	M	85.8	Confident	89.7	Confident	43 Å²	43	75.3 Å²	75.3	21%	0.212	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-62	138.8	175.6	-63.7	-65.6	-66.3	0	0	110	I431 C442 E465	I431-M467 HydrophobicContact CD1-CE 3.66Å; I431-M467 HydrophobicContact CG1-CE 4.26Å; C442-M467 HydrophobicContact CB-CE 4.28Å; C442-M467 WeakPolarHBondContact SG-CE 3.5Å; E465-M467 PolarHBondContact O-N 2.86Å
468	P	85.9	Confident	89.8	Confident	27 Å²	27	72.8 Å²	72.8	18%	0.175	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-65.3	144	-178.3	24.4	-31.3	0	0	0	111.3	L255 C470 F476	L255-P468 HydrophobicContact CD1-CG 3.38Å; L255-P468 HydrophobicContact CD2-CG 4.23Å; L255-P468 HydrophobicContact CG-CG 4.18Å; P468-C470 PolarHBondContact O-N 3.21Å; P468-F476 HydrophobicContact CG-CE1 4.19Å; P468-F476 HydrophobicContact CG-CZ 4.32Å
469	A	85.6	Confident	89.7	Confident	94 Å²	94	71.1 Å²	71.1	78%	0.777	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-70.4	120	174	0	0	0	0	0	110	K249	K249-A469 PolarHBondContact NZ-O 3.31Å
470	C	89.6	Confident	89.6	Confident	20 Å²	20	71.4 Å²	71.4	14%	0.135	42%	0.423	C	S	.	.			trans	-148.8	159.1	175.5	57.6	0	0	0	0	111.2	V285 P468 D474 F476	V285-C470 HydrophobicContact CG2-CB 4.4Å; P468-C470 PolarHBondContact O-N 3.21Å; C470-D474 WeakPolarHBondContact CA-OD2 3.5Å; C470-D474 HydrophobicContact CB-CB 4.27Å; C470-D474 VanDerWaalsContact CB-OD2 3.24Å; C470-D474 WeakPolarHBondContact CB-OD2 3.27Å; C470-F476 HydrophobicContact CB-CE2 3.88Å; C470-F476 HydrophobicContact CB-CZ 4.02Å
471	E	92	Very high	89.7	Confident	148 Å²	148	71 Å²	71	69%	0.692	42%	0.415	S	S	*	.			trans	-117.5	160.9	176.2	-63.8	-173.1	174.3	0	0	110.9	V285 G473 D474	V285-E471 WeakPolarHBondContact CG1-O 3.28Å; E471-G473 PolarHBondContact O-N 2.89Å; E471-D474 PolarHBondContact N-OD2 3.35Å; E471-D474 VanDerWaalsContact O-CB 3.28Å; E471-D474 WeakPolarHBondContact O-CB 3.46Å; E471-D474 PolarHBondContact O-N 2.79Å
472	C	93.6	Very high	89.8	Confident	94 Å²	94	73 Å²	73	64%	0.635	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	128.6	172	178.7	0	0	0	0	109.7	E286	E286-C472 PolarHBondContact O-SG 2.86Å
473	G	92.6	Very high	90.1	Very high	39 Å²	39	70.8 Å²	70.8	40%	0.402	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-12.4	-175.9	0	0	0	0	0	114.9	V285 E471	V285-G473 PolarHBondContact O-N 3.16Å; E471-G473 PolarHBondContact O-N 2.89Å
474	D	94.3	Very high	90.7	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	37%	0.369	C	S	.	.			trans	-59	150.7	172.6	-83.2	-2.8	0	0	0	111.8	K249 V285 C470 E471 F476	K249-D474 IonicContact NZ-OD2 3.68Å; K249-D474 PolarHBondContact NZ-OD2 3.08Å; V285-D474 HydrophobicContact CB-CB 4.29Å; V285-D474 HydrophobicContact CG2-CB 3.93Å; V285-D474 PolarHBondContact N-O 2.75Å; C470-D474 WeakPolarHBondContact CA-OD2 3.5Å; C470-D474 HydrophobicContact CB-CB 4.27Å; C470-D474 VanDerWaalsContact CB-OD2 3.24Å; C470-D474 WeakPolarHBondContact CB-OD2 3.27Å; E471-D474 PolarHBondContact N-OD2 3.35Å; E471-D474 VanDerWaalsContact O-CB 3.28Å; E471-D474 WeakPolarHBondContact O-CB 3.46Å; E471-D474 PolarHBondContact O-N 2.79Å; D474-F476 HydrophobicContact CB-CE2 4.46Å
475	T	94.3	Very high	91.4	Very high	72 Å²	72	65.5 Å²	65.5	44%	0.442	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141	174.9	59.4	0	0	0	0	111.8	A283	A283-T475 WeakPolarHBondContact O-CA 3.34Å
476	F	95.4	Very high	92.4	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.018	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.9	173.3	-75.4	-122.8	0	0	0	109	V247 K249 L255 E282 A283 V285 F433 P468 C470 D474	V247-F476 HydrophobicContact CB-CB 4.01Å; V247-F476 HydrophobicContact CG2-CB 4.24Å; V247-F476 HydrophobicContact CG2-CD1 4.1Å; V247-F476 HydrophobicContact CG2-CG 4.47Å; K249-F476 HydrophobicContact CB-CD1 3.67Å; K249-F476 HydrophobicContact CB-CE1 3.53Å; K249-F476 HydrophobicContact CB-CG 4.23Å; K249-F476 HydrophobicContact CB-CZ 3.99Å; K249-F476 HydrophobicContact CD-CD2 4.42Å; K249-F476 HydrophobicContact CD-CE1 4.11Å; K249-F476 HydrophobicContact CD-CE2 3.82Å; K249-F476 HydrophobicContact CD-CZ 3.64Å; K249-F476 HydrophobicContact CG-CE1 4.41Å; K249-F476 HydrophobicContact CG-CZ 4.4Å; L255-F476 HydrophobicContact CD1-CE1 4.09Å; E282-F476 CarbonylContact C-O 3.58Å; E282-F476 WeakPolarHBondContact CA-O 3.42Å; A283-F476 HydrophobicContact CB-CB 4.34Å; A283-F476 PolarHBondContact N-O 3.42Å; A283-F476 PolarHBondContact O-N 2.89Å; V285-F476 HydrophobicContact CG2-CD2 3.99Å; V285-F476 HydrophobicContact CG2-CE2 3.77Å; F433-F476 HydrophobicContact CE1-CB 4.43Å; F433-F476 HydrophobicContact CE1-CD1 4.34Å; F433-F476 AromaticContact CE1-CD2 3.73Å; F433-F476 HydrophobicContact CE1-CD2 3.73Å; F433-F476 HydrophobicContact CE1-CE2 4Å; F433-F476 AromaticContact CE1-CG 3.93Å; F433-F476 HydrophobicContact CE1-CG 3.93Å; F433-F476 HydrophobicContact CE1-CZ 4.43Å; F433-F476 HydrophobicContact CZ-CE2 4.45Å; F433-F476 HydrophobicContact CZ-CZ 4.48Å; P468-F476 HydrophobicContact CG-CE1 4.19Å; P468-F476 HydrophobicContact CG-CZ 4.32Å; C470-F476 HydrophobicContact CB-CE2 3.88Å; C470-F476 HydrophobicContact CB-CZ 4.02Å; D474-F476 HydrophobicContact CB-CE2 4.46Å
477	T	95	Very high	93.4	Very high	68 Å²	68	64.4 Å²	64.4	42%	0.417	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131	175.8	-55.7	0	0	0	0	109.4	V247 F248 E479	V247-T477 CarbonylContact C-O 3.59Å; V247-T477 VanDerWaalsContact CA-O 3.27Å; V247-T477 WeakPolarHBondContact CA-O 3.39Å; F248-T477 WeakPolarHBondContact CD1-O 3.06Å; F248-T477 HydrophobicContact CE1-CG2 3.66Å; F248-T477 HydrophobicContact CE2-CG2 4.46Å; F248-T477 HydrophobicContact CZ-CG2 3.59Å; F248-T477 PolarHBondContact N-O 3.37Å; F248-T477 PolarHBondContact O-N 2.98Å; T477-E479 PolarHBondContact O-N 3.29Å
478	V	95.6	Very high	93.8	Very high	26 Å²	26	63.7 Å²	63.7	16%	0.158	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.5	173.2	178.9	0	0	0	0	109.2	V247 K281 A283 I435 I481	V247-V478 HydrophobicContact CG1-CG2 4.34Å; K281-V478 WeakPolarHBondContact O-CB 3.23Å; K281-V478 PolarHBondContact O-N 3.14Å; A283-V478 HydrophobicContact CB-CG2 4.17Å; I435-V478 HydrophobicContact CD1-CG2 4.14Å; I435-V478 HydrophobicContact CG1-CG2 4.48Å; I435-V478 HydrophobicContact CG2-CG2 4.1Å; V478-I481 HydrophobicContact CG1-CD1 3.74Å; V478-I481 HydrophobicContact CG1-CG1 3.53Å
479	E	93.4	Very high	94.2	Very high	106 Å²	106	67 Å²	67	50%	0.495	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-50.7	176	-177.5	-175.9	-150.8	0	0	111.3	K246 F248 P254 T477	K246-E479 HydrophobicContact CB-CB 4.31Å; K246-E479 PolarHBondContact O-N 3.36Å; F248-E479 HydrophobicContact CD1-CB 3.88Å; F248-E479 HydrophobicContact CE1-CB 4Å; P254-E479 VanDerWaalsContact CB-OE2 3.22Å; P254-E479 WeakPolarHBondContact CB-OE2 3.34Å; P254-E479 VanDerWaalsContact CG-OE2 3.31Å; P254-E479 WeakPolarHBondContact CG-OE2 3.4Å; T477-E479 PolarHBondContact O-N 3.29Å
480	E	93.8	Very high	94.5	Very high	66 Å²	66	65 Å²	65	31%	0.308	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132.8	-172.2	-172	-173.7	-169.4	0	0	109.8	A245 K246 K482	A245-E480 CarbonylContact C-O 3.46Å; A245-E480 VanDerWaalsContact CA-O 3.3Å; A245-E480 WeakPolarHBondContact CA-O 3.34Å; K246-E480 HydrophobicContact CB-CB 4.22Å; K246-E480 HydrophobicContact CD-CB 4.47Å; K246-E480 PolarHBondContact N-O 3.08Å; K246-E480 IonicContact NZ-OE2 2.67Å; K246-E480 PolarHBondContact O-N 2.71Å; E480-K482 HydrophobicContact CG-CG 4.48Å; E480-K482 VanDerWaalsContact OE1-CD 3.31Å; E480-K482 WeakPolarHBondContact OE1-CD 3.45Å; E480-K482 IonicContact OE1-NZ 2.76Å; E480-K482 PolarHBondContact OE1-NZ 3.32Å; E480-K482 IonicContact OE2-NZ 3.23Å; E480-K482 PolarHBondContact OE2-NZ 2.75Å
481	I	95.7	Very high	94.8	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.082	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.3	163.4	-59.2	174.2	0	0	0	107.4	L243 Q244 A245 V274 A277 K278 I435 V478	L243-I481 HydrophobicContact CD1-CG2 3.66Å; L243-I481 HydrophobicContact CG-CG2 4.44Å; Q244-I481 WeakPolarHBondContact O-CA 3.39Å; A245-I481 HydrophobicContact CB-CG1 4.33Å; V274-I481 HydrophobicContact CG1-CG2 4.42Å; A277-I481 HydrophobicContact CB-CD1 3.87Å; A277-I481 HydrophobicContact CB-CG2 4.37Å; K278-I481 VanDerWaalsContact CE-O 3.32Å; K278-I481 WeakPolarHBondContact CE-O 3.29Å; K278-I481 HydrophobicContact CG-CB 4.23Å; K278-I481 HydrophobicContact CG-CD1 4.34Å; K278-I481 HydrophobicContact CG-CG2 4.48Å; I435-I481 HydrophobicContact CG2-CD1 3.91Å; V478-I481 HydrophobicContact CG1-CD1 3.74Å; V478-I481 HydrophobicContact CG1-CG1 3.53Å
482	K	94.4	Very high	95	Very high	69 Å²	69	65.7 Å²	65.7	30%	0.3	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.2	178.2	60.5	169.3	164.5	-125.8	0	112.4	Q244 E480 V484	Q244-K482 HydrophobicContact CB-CG 4.3Å; Q244-K482 PolarHBondContact N-O 2.96Å; Q244-K482 PolarHBondContact O-N 2.93Å; E480-K482 HydrophobicContact CG-CG 4.48Å; E480-K482 VanDerWaalsContact OE1-CD 3.31Å; E480-K482 WeakPolarHBondContact OE1-CD 3.45Å; E480-K482 IonicContact OE1-NZ 2.76Å; E480-K482 PolarHBondContact OE1-NZ 3.32Å; E480-K482 IonicContact OE2-NZ 3.23Å; E480-K482 PolarHBondContact OE2-NZ 2.75Å; K482-V484 HydrophobicContact CD-CG2 3.82Å; K482-V484 HydrophobicContact CG-CG2 3.95Å
483	L	96.3	Very high	95.2	Very high	39 Å²	39	63.3 Å²	63.3	20%	0.204	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.5	168.2	-162.3	63.2	0	0	0	108.2	W241 V274	W241-L483 HydrophobicContact CB-CD1 3.69Å; W241-L483 HydrophobicContact CB-CD2 4.09Å; W241-L483 HydrophobicContact CB-CG 3.78Å; W241-L483 HydrophobicContact CG-CD1 4.47Å; W241-L483 HydrophobicContact CG-CD2 4.01Å; W241-L483 HydrophobicContact CG-CG 4.07Å; V274-L483 HydrophobicContact CG2-CB 3.68Å; V274-L483 HydrophobicContact CG2-CD1 3.88Å; V274-L483 HydrophobicContact CG2-CD2 4.36Å; V274-L483 HydrophobicContact CG2-CG 4.17Å
484	V	96.7	Very high	95.5	Very high	33 Å²	33	61.5 Å²	61.5	20%	0.2	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.8	178.1	-175.9	0	0	0	0	108.7	W241 V242 Q244 K482 R486	W241-V484 WeakPolarHBondContact CA-O 3.5Å; V242-V484 PolarHBondContact N-O 3.2Å; V242-V484 PolarHBondContact O-N 3.07Å; Q244-V484 HydrophobicContact CB-CG2 4.24Å; Q244-V484 HydrophobicContact CG-CG2 3.92Å; K482-V484 HydrophobicContact CD-CG2 3.82Å; K482-V484 HydrophobicContact CG-CG2 3.95Å; V484-R486 HydrophobicContact CG1-CG 4.08Å
485	E	97.3	Very high	95.7	Very high	119 Å²	119	61.2 Å²	61.2	56%	0.556	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.9	169.4	-172.7	170.3	132.3	0	0	110.1	T239 W241	T239-E485 HydrophobicContact CG2-CG 3.52Å; W241-E485 PolarHBondContact NE1-OE2 3.48Å
486	R	96.9	Very high	95.9	Very high	113 Å²	113	58.1 Å²	58.1	43%	0.426	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	168.8	175.6	-65.7	-171.3	179.3	-174.3	1.4	109.2	T239 Y240 V484	T239-R486 WeakPolarHBondContact CA-O 3.24Å; Y240-R486 HydrophobicContact CD1-CB 4.29Å; Y240-R486 HydrophobicContact CD2-CB 4.11Å; Y240-R486 HydrophobicContact CE1-CB 3.76Å; Y240-R486 HydrophobicContact CE2-CB 3.57Å; Y240-R486 HydrophobicContact CE2-CG 4.24Å; Y240-R486 HydrophobicContact CG-CB 4.45Å; Y240-R486 PolarHBondContact N-O 3.29Å; Y240-R486 PolarHBondContact O-N 3.32Å; Y240-R486 WeakPolarHBondContact OH-CD 3.46Å; V484-R486 HydrophobicContact CG1-CG 4.08Å
487	Q	96.5	Very high	96	Very high	111 Å²	111	58.4 Å²	58.4	52%	0.519	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.2	176.6	-155.6	178	33.5	0	0	110	P237 E238 Y240	P237-Q487 VanDerWaalsContact CB-CD 3.43Å; P237-Q487 HydrophobicContact CB-CG 3.63Å; E238-Q487 WeakPolarHBondContact O-CA 3.34Å; Y240-Q487 VanDerWaalsContact CE1-C 3.42Å
488	T	95.6	Very high	96.2	Very high	28 Å²	28	58.4 Å²	58.4	17%	0.172	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-64.7	136.7	173.3	59	0	0	0	0	109.2	F235 E238 Y240 F265	F235-T488 WeakPolarHBondContact CE1-O 3.48Å; F235-T488 WeakPolarHBondContact CZ-OG1 3.47Å; E238-T488 HydrophobicContact CB-CG2 4.46Å; E238-T488 PolarHBondContact N-OG1 3.37Å; E238-T488 PolarHBondContact O-N 2.82Å; E238-T488 PolarHBondContact O-OG1 2.91Å; Y240-T488 HydrophobicContact CD1-CG2 3.79Å; Y240-T488 HydrophobicContact CE1-CG2 3.99Å; F265-T488 HydrophobicContact CE1-CG2 4.1Å; F265-T488 HydrophobicContact CZ-CG2 4.46Å
489	S	93.4	Very high	96.3	Very high	98 Å²	98	57.1 Å²	57.1	69%	0.685	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-98.2	145.3	178.7	-52.8	0	0	0	0	111.2	F235	F235-S489 VanDerWaalsContact CE1-C 3.45Å; F235-S489 WeakPolarHBondContact CZ-O 3.49Å
490	P	92.9	Very high	96.5	Very high	51 Å²	51	52.1 Å²	52.1	33%	0.331	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-62.8	157.7	170.9	28.1	-34.6	0	0	0	110.2	I232 F235	I232-P490 HydrophobicContact CG2-CB 4.44Å; F235-P490 HydrophobicContact CB-CB 3.94Å; F235-P490 HydrophobicContact CD1-CB 3.58Å; F235-P490 HydrophobicContact CD1-CG 4.24Å; F235-P490 HydrophobicContact CE1-CB 4.18Å; F235-P490 VanDerWaalsContact CE1-N 3.29Å; F235-P490 HydrophobicContact CG-CB 3.77Å
491	P	94.9	Very high	96.7	Very high	52 Å²	52	51 Å²	51	34%	0.338	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-62.1	162	170.1	28.8	-33.9	0	0	0	110.6	I232	I232-P491 WeakPolarHBondContact CD1-O 3.36Å; I232-P491 HydrophobicContact CG1-CG 3.94Å; I232-P491 VanDerWaalsContact CG1-O 3.25Å; I232-P491 WeakPolarHBondContact CG1-O 3.43Å
492	H	96.3	Very high	96.8	Very high	130 Å²	130	52.1 Å²	52.1	60%	0.602	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-85.9	163.1	168.6	-64.1	-56.5	0	0	0	111.1	R228	R228-H492 VanDerWaalsContact CD-O 3.23Å; R228-H492 WeakPolarHBondContact CD-O 3.27Å; R228-H492 WeakPolarHBondContact CG-O 3.35Å; R228-H492 PolarHBondContact NH1-O 3.42Å
493	Y	98.3	Very high	96.9	Very high	45 Å²	45	48.9 Å²	48.9	18%	0.176	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-54.6	149.9	166.3	-69	-70.3	0	0	0	110.6	H229 I232 T495 K536	H229-Y493 HydrophobicContact CB-CE1 3.89Å; H229-Y493 AromaticContact ND1-CE1 3.6Å; H229-Y493 AromaticContact ND1-CZ 3.91Å; H229-Y493 PolarHBondContact ND1-OH 3.27Å; I232-Y493 HydrophobicContact CD1-CD1 3.76Å; I232-Y493 HydrophobicContact CD1-CD2 4.35Å; I232-Y493 HydrophobicContact CD1-CE1 3.89Å; I232-Y493 HydrophobicContact CD1-CE2 4.46Å; I232-Y493 HydrophobicContact CD1-CG 3.99Å; Y493-T495 PolarHBondContact O-N 2.92Å; Y493-K536 HydrophobicContact CD2-CB 4.43Å; Y493-K536 HydrophobicContact CD2-CG 4.38Å; Y493-K536 HydrophobicContact CE1-CG 4.31Å; Y493-K536 HydrophobicContact CE2-CD 4.32Å; Y493-K536 HydrophobicContact CE2-CG 4.06Å; Y493-K536 HydrophobicContact CG-CB 4.48Å
494	L	98.6	Very high	96.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-59.3	130.2	-179.9	-70.7	174.7	0	0	0	110.2	F224 R228 E498 L499 L502 R534 L535	F224-L494 HydrophobicContact CB-CD1 3.91Å; F224-L494 WeakPolarHBondContact O-CD1 3.44Å; R228-L494 HydrophobicContact CB-CD1 4.29Å; R228-L494 HydrophobicContact CB-CG 3.85Å; R228-L494 HydrophobicContact CG-CD2 4.48Å; R228-L494 HydrophobicContact CG-CG 4.03Å; L494-E498 HydrophobicContact CD2-CB 3.72Å; L494-L499 HydrophobicContact CD1-CD1 4.3Å; L494-L502 HydrophobicContact CD1-CD1 3.71Å; L494-L502 HydrophobicContact CD2-CD1 3.74Å; L494-L502 HydrophobicContact CG-CD1 4.43Å; L494-R534 CarbonylContact O-C 3.55Å; L494-R534 WeakPolarHBondContact O-CA 3.36Å; L494-L535 PolarHBondContact O-N 2.96Å
495	T	98.6	Very high	96.8	Very high	38 Å²	38	57.4 Å²	57.4	23%	0.233	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-68.6	156.9	159.3	58	0	0	0	0	110.3	Y493 A497 E498 L499 R533 R534	Y493-T495 PolarHBondContact O-N 2.92Å; T495-A497 PolarHBondContact O-N 2.81Å; T495-E498 PolarHBondContact N-OE2 3.27Å; T495-E498 PolarHBondContact O-N 3.34Å; T495-E498 VanDerWaalsContact O-N 3.17Å; T495-E498 WeakPolarHBondContact OG1-CG 3.27Å; T495-E498 PolarHBondContact OG1-N 2.96Å; T495-E498 VanDerWaalsContact OG1-N 3.12Å; T495-E498 PolarHBondContact OG1-OE2 3.24Å; T495-L499 PolarHBondContact O-N 3.36Å; T495-R533 WeakPolarHBondContact CA-O 3.29Å; T495-R534 HydrophobicContact CG2-CG 3.89Å
496	E	98.3	Very high	96.8	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-54.5	-37.6	170.4	-67.5	166.5	159.5	0	0	111	S311 P318 L499 I500 R533 L535	S311-E496 WeakPolarHBondContact CB-OE2 3.4Å; S311-E496 WeakPolarHBondContact OG-CB 3.4Å; S311-E496 PolarHBondContact OG-OE2 3.09Å; P318-E496 HydrophobicContact CG-CB 4.28Å; E496-L499 PolarHBondContact O-N 2.99Å; E496-I500 WeakPolarHBondContact O-CB 3.26Å; E496-I500 WeakPolarHBondContact O-CD1 3.44Å; E496-I500 WeakPolarHBondContact O-CG1 3.36Å; E496-I500 PolarHBondContact O-N 3.36Å; E496-R533 HydrophobicContact CG-CB 4.48Å; E496-R533 PolarHBondContact N-O 3.06Å; E496-R533 IonicContact OE1-NE 3Å; E496-R533 WeakPolarHBondContact OE2-CD 3.38Å; E496-R533 IonicContact OE2-NE 3.3Å; E496-L535 HydrophobicContact CG-CD1 4.1Å; E496-L535 HydrophobicContact CG-CD2 3.96Å; E496-L535 HydrophobicContact CG-CG 4.08Å
497	A	97.8	Very high	96.7	Very high	10 Å²	10	50.8 Å²	50.8	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-41.9	176.8	0	0	0	0	0	113.5	R308 T495 T501	R308-A497 HydrophobicContact CB-CB 4.08Å; R308-A497 HydrophobicContact CG-CB 4.15Å; T495-A497 PolarHBondContact O-N 2.81Å; A497-T501 PolarHBondContact O-N 3.36Å; A497-T501 VanDerWaalsContact O-N 3.09Å; A497-T501 PolarHBondContact O-OG1 2.88Å
498	E	98.3	Very high	96.7	Very high	67 Å²	67	45.5 Å²	45.5	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-39.3	172.5	-74.9	168.4	102	0	0	111.5	R228 L494 T495 T501 L502	R228-E498 IonicContact CZ-OE1 3.35Å; R228-E498 IonicContact NH1-OE1 3.55Å; R228-E498 PolarHBondContact NH1-OE1 2.9Å; R228-E498 IonicContact NH1-OE2 2.78Å; R228-E498 IonicContact NH2-OE1 2.99Å; R228-E498 PolarHBondContact NH2-OE1 3.19Å; R228-E498 VanDerWaalsContact NH2-OE1 3.09Å; L494-E498 HydrophobicContact CD2-CB 3.72Å; T495-E498 PolarHBondContact N-OE2 3.27Å; T495-E498 PolarHBondContact O-N 3.34Å; T495-E498 VanDerWaalsContact O-N 3.17Å; T495-E498 WeakPolarHBondContact OG1-CG 3.27Å; T495-E498 PolarHBondContact OG1-N 2.96Å; T495-E498 VanDerWaalsContact OG1-N 3.12Å; T495-E498 PolarHBondContact OG1-OE2 3.24Å; E498-T501 WeakPolarHBondContact O-CB 3.28Å; E498-T501 PolarHBondContact O-N 3.13Å; E498-L502 WeakPolarHBondContact O-CG 3.45Å; E498-L502 PolarHBondContact O-N 2.72Å
499	L	98.6	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-44.5	177.7	-179.7	60.6	0	0	0	111.5	T221 F224 L494 T495 E496 T501 L502 M503 I518 I521 L535	T221-L499 HydrophobicContact CG2-CD1 4.21Å; T221-L499 HydrophobicContact CG2-CD2 3.87Å; T221-L499 HydrophobicContact CG2-CG 4.32Å; F224-L499 HydrophobicContact CB-CD1 3.74Å; F224-L499 HydrophobicContact CD2-CD1 3.84Å; F224-L499 HydrophobicContact CG-CD1 4.23Å; L494-L499 HydrophobicContact CD1-CD1 4.3Å; T495-L499 PolarHBondContact O-N 3.36Å; E496-L499 PolarHBondContact O-N 2.99Å; L499-T501 VanDerWaalsContact C-N 3.26Å; L499-T501 PolarHBondContact O-N 3.34Å; L499-L502 PolarHBondContact O-N 3.27Å; L499-L502 VanDerWaalsContact O-N 3.14Å; L499-M503 HydrophobicContact CD1-CG 4.35Å; L499-M503 HydrophobicContact CG-CG 4.5Å; L499-M503 HydrophobicContact CG-SD 4.3Å; L499-M503 WeakPolarHBondContact O-CG 3.31Å; L499-M503 PolarHBondContact O-N 3.26Å; L499-I518 HydrophobicContact CD2-CD1 3.99Å; L499-I518 HydrophobicContact CD2-CG1 3.78Å; L499-I518 HydrophobicContact CD2-CG2 4.36Å; L499-I518 HydrophobicContact CG-CD1 4.1Å; L499-I518 HydrophobicContact CG-CG1 4.28Å; L499-I521 HydrophobicContact CD2-CD1 4.21Å; L499-L535 HydrophobicContact CB-CD1 4.16Å; L499-L535 HydrophobicContact CD2-CD1 3.31Å; L499-L535 HydrophobicContact CG-CD1 4.38Å
500	I	98.1	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-54	-46.5	172.1	-70.3	161.5	0	0	0	110.1	V304 L307 R308 P318 E496 L502 M503 E504 I514 I518	V304-I500 HydrophobicContact CG1-CG2 3.62Å; L307-I500 HydrophobicContact CB-CD1 3.77Å; R308-I500 HydrophobicContact CG-CB 4.15Å; R308-I500 HydrophobicContact CG-CD1 4.34Å; R308-I500 HydrophobicContact CG-CG2 3.82Å; P318-I500 HydrophobicContact CG-CD1 4.07Å; E496-I500 WeakPolarHBondContact O-CB 3.26Å; E496-I500 WeakPolarHBondContact O-CD1 3.44Å; E496-I500 WeakPolarHBondContact O-CG1 3.36Å; E496-I500 PolarHBondContact O-N 3.36Å; I500-L502 VanDerWaalsContact C-N 3.34Å; I500-L502 PolarHBondContact O-N 3.36Å; I500-M503 PolarHBondContact O-N 2.98Å; I500-E504 PolarHBondContact O-N 2.82Å; I500-I514 HydrophobicContact CB-CG2 4.36Å; I500-I514 HydrophobicContact CG1-CG2 3.75Å; I500-I514 HydrophobicContact CG2-CG2 4.39Å; I500-I518 HydrophobicContact CG1-CD1 3.6Å
501	T	96.5	Very high	96	Very high	42 Å²	42	42.8 Å²	42.8	26%	0.258	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-39.9	178.9	-52.5	0	0	0	0	111.9	R308 A497 E498 L499 K505	R308-T501 PolarHBondContact NE-OG1 3.24Å; A497-T501 PolarHBondContact O-N 3.36Å; A497-T501 VanDerWaalsContact O-N 3.09Å; A497-T501 PolarHBondContact O-OG1 2.88Å; E498-T501 WeakPolarHBondContact O-CB 3.28Å; E498-T501 PolarHBondContact O-N 3.13Å; L499-T501 VanDerWaalsContact C-N 3.26Å; L499-T501 PolarHBondContact O-N 3.34Å; T501-K505 WeakPolarHBondContact O-CB 3.5Å; T501-K505 PolarHBondContact O-N 3.05Å
502	L	98	Very high	95.6	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-68	-42.6	176.8	-73.5	171.3	0	0	0	111.8	F224 L494 E498 L499 I500 K505 H506	F224-L502 HydrophobicContact CB-CD1 4.09Å; F224-L502 HydrophobicContact CD1-CB 4.33Å; F224-L502 HydrophobicContact CD1-CD1 4.19Å; F224-L502 HydrophobicContact CD2-CB 4.17Å; F224-L502 HydrophobicContact CE1-CB 4.38Å; F224-L502 HydrophobicContact CE2-CB 4.2Å; F224-L502 HydrophobicContact CG-CB 4.23Å; F224-L502 HydrophobicContact CG-CD1 4.16Å; F224-L502 HydrophobicContact CZ-CB 4.31Å; L494-L502 HydrophobicContact CD1-CD1 3.71Å; L494-L502 HydrophobicContact CD2-CD1 3.74Å; L494-L502 HydrophobicContact CG-CD1 4.43Å; E498-L502 WeakPolarHBondContact O-CG 3.45Å; E498-L502 PolarHBondContact O-N 2.72Å; L499-L502 PolarHBondContact O-N 3.27Å; L499-L502 VanDerWaalsContact O-N 3.14Å; I500-L502 VanDerWaalsContact C-N 3.34Å; I500-L502 PolarHBondContact O-N 3.36Å; L502-K505 PolarHBondContact O-N 2.9Å; L502-H506 WeakPolarHBondContact O-CB 3Å; L502-H506 PolarHBondContact O-CD2 3.46Å; L502-H506 PolarHBondContact O-N 3.41Å
503	M	98	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-47.4	177	-69.6	-179.5	73.3	0	0	111.6	T221 F224 L499 I500 H506 G507 I508 I514 H517 I518	T221-M503 HydrophobicContact CG2-CE 4.17Å; T221-M503 HydrophobicContact CG2-SD 3.67Å; T221-M503 WeakPolarHBondContact OG1-CE 3.33Å; F224-M503 HydrophobicContact CD2-CG 4.49Å; F224-M503 HydrophobicContact CE2-CG 4.3Å; L499-M503 HydrophobicContact CD1-CG 4.35Å; L499-M503 HydrophobicContact CG-CG 4.5Å; L499-M503 HydrophobicContact CG-SD 4.3Å; L499-M503 WeakPolarHBondContact O-CG 3.31Å; L499-M503 PolarHBondContact O-N 3.26Å; I500-M503 PolarHBondContact O-N 2.98Å; M503-H506 CarbonylContact O-C 3.53Å; M503-H506 PolarHBondContact O-N 3.05Å; M503-G507 PolarHBondContact O-N 3.19Å; M503-I508 CarbonylContact C-O 3.42Å; M503-I508 HydrophobicContact CB-CG1 4.08Å; M503-I508 HydrophobicContact CE-CG1 4.38Å; M503-I508 HydrophobicContact CG-CD1 4.32Å; M503-I508 HydrophobicContact CG-CG1 4.17Å; M503-I508 PolarHBondContact O-N 3.02Å; M503-I514 HydrophobicContact CB-CD1 4.21Å; M503-I514 HydrophobicContact CB-CG1 3.96Å; M503-I514 HydrophobicContact CE-CB 4.28Å; M503-I514 HydrophobicContact CE-CG1 3.81Å; M503-I514 HydrophobicContact CE-CG2 4.41Å; M503-I514 HydrophobicContact SD-CB 4.47Å; M503-I514 HydrophobicContact SD-CG1 4.14Å; M503-I514 HydrophobicContact SD-CG2 3.97Å; M503-H517 HydrophobicContact CE-CB 4.01Å; M503-I518 HydrophobicContact SD-CD1 4.04Å; M503-I518 HydrophobicContact SD-CG1 3.81Å
504	E	94.4	Very high	95.3	Very high	92 Å²	92	34.5 Å²	34.5	43%	0.43	19%	0.185	S	C	.	.	H	α-helix	trans	-61	-48.9	175.3	-176.8	-174.4	-137.2	0	0	111.4	V304 I500 H506 G507	V304-E504 HydrophobicContact CG2-CG 4.49Å; I500-E504 PolarHBondContact O-N 2.82Å; E504-H506 PolarHBondContact O-N 2.76Å; E504-G507 PolarHBondContact O-N 2.9Å
505	K	95.6	Very high	95.2	Very high	159 Å²	159	34.6 Å²	34.6	69%	0.691	19%	0.185	S	C	*	.	H	α-helix	trans	-56.4	-39.2	178.9	178.1	-176.6	176.2	-174.3	0	112.5	T501 L502	T501-K505 WeakPolarHBondContact O-CB 3.5Å; T501-K505 PolarHBondContact O-N 3.05Å; L502-K505 PolarHBondContact O-N 2.9Å
506	H	96.9	Very high	95.1	Very high	72 Å²	72	35.6 Å²	35.6	33%	0.333	19%	0.191	S	C	.	.	H	α-helix	trans	-90.7	0.6	-179.8	-74.1	-82.9	0	0	0	113.4	F224 L502 M503 E504 P558 S562	F224-H506 AromaticContact CE1-CD2 3.72Å; F224-H506 HydrophobicContact CZ-CB 3.97Å; F224-H506 AromaticContact CZ-CD2 3.57Å; F224-H506 AromaticContact CZ-CG 3.8Å; L502-H506 WeakPolarHBondContact O-CB 3Å; L502-H506 PolarHBondContact O-CD2 3.46Å; L502-H506 PolarHBondContact O-N 3.41Å; M503-H506 CarbonylContact O-C 3.53Å; M503-H506 PolarHBondContact O-N 3.05Å; E504-H506 PolarHBondContact O-N 2.76Å; H506-P558 HydrophobicContact CB-CB 3.98Å; H506-P558 HydrophobicContact CB-CG 3.86Å; H506-S562 VanDerWaalsContact O-CB 3.27Å; H506-S562 WeakPolarHBondContact O-CB 3.25Å; H506-S562 PolarHBondContact O-OG 3.42Å
507	G	95.6	Very high	95.1	Very high	21 Å²	21	36 Å²	36	22%	0.216	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	48.9	177.6	0	0	0	0	0	112.5	M503 E504 S562	M503-G507 PolarHBondContact O-N 3.19Å; E504-G507 PolarHBondContact O-N 2.9Å; G507-S562 WeakPolarHBondContact O-CA 3.23Å; G507-S562 WeakPolarHBondContact O-CB 3.36Å; G507-S562 PolarHBondContact O-OG 3.06Å
508	I	96.6	Very high	95.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.19	C	C	.	.			trans	-123.7	148.2	168.8	66.4	166.1	0	0	0	110	P220 F224 M503 P558 R561 E565	P220-I508 HydrophobicContact CB-CD1 4.01Å; F224-I508 HydrophobicContact CE2-CD1 3.92Å; M503-I508 CarbonylContact C-O 3.42Å; M503-I508 HydrophobicContact CB-CG1 4.08Å; M503-I508 HydrophobicContact CE-CG1 4.38Å; M503-I508 HydrophobicContact CG-CD1 4.32Å; M503-I508 HydrophobicContact CG-CG1 4.17Å; M503-I508 PolarHBondContact O-N 3.02Å; I508-P558 HydrophobicContact CD1-CB 4.11Å; I508-P558 HydrophobicContact CG2-CB 3.91Å; I508-R561 HydrophobicContact CB-CG 4.13Å; I508-R561 HydrophobicContact CG2-CB 3.89Å; I508-R561 HydrophobicContact CG2-CG 3.77Å; I508-E565 WeakPolarHBondContact CA-OE2 3.26Å
509	G	93.2	Very high	95	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	72.9	30.8	-173.2	0	0	0	0	0	113.5	S513 I514 E565	G509-S513 WeakPolarHBondContact CA-OG 3.33Å; G509-S513 PolarHBondContact O-N 3.38Å; G509-S513 PolarHBondContact O-OG 3.19Å; G509-S513 VanDerWaalsContact O-OG 3.13Å; G509-I514 WeakPolarHBondContact O-CG1 3.43Å; G509-I514 PolarHBondContact O-N 2.97Å; G509-E565 VanDerWaalsContact N-CD 3.29Å; G509-E565 PolarHBondContact N-OE1 3.41Å; G509-E565 PolarHBondContact N-OE2 3.5Å
510	T	88.9	Confident	94.9	Very high	44 Å²	44	35.7 Å²	35.7	27%	0.27	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	172	175.6	63.7	0	0	0	0	112	A512 S513 E565	T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 3.41Å; T510-S513 WeakPolarHBondContact O-CB 3.23Å; T510-S513 PolarHBondContact O-N 3.45Å; T510-S513 PolarHBondContact O-OG 2.96Å; T510-E565 WeakPolarHBondContact CG2-OE2 3.23Å; T510-E565 PolarHBondContact N-OE2 3.03Å; T510-E565 PolarHBondContact OG1-OE2 3.47Å; T510-E565 VanDerWaalsContact OG1-OE2 3.12Å
511	D	85.1	Confident	94.9	Very high	75 Å²	75	35.7 Å²	35.7	40%	0.401	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	42.3	178.9	-55.5	-49.6	0	0	0	112.4	K120 S513	K120-D511 HydrophobicContact CD-CB 4.49Å; K120-D511 WeakPolarHBondContact CD-OD2 3.43Å; K120-D511 WeakPolarHBondContact CE-OD1 3.48Å; K120-D511 IonicContact NZ-OD1 3.3Å; K120-D511 PolarHBondContact NZ-OD1 3.24Å; K120-D511 IonicContact NZ-OD2 3.88Å; K120-D511 PolarHBondContact NZ-OD2 2.85Å; D511-S513 PolarHBondContact O-N 2.84Å; D511-S513 VanDerWaalsContact O-N 3.14Å
512	A	86	Confident	94.9	Very high	19 Å²	19	35.1 Å²	35.1	16%	0.157	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	27.2	-179.6	0	0	0	0	0	115.4	T303 R338 T510 P515	T303-A512 HydrophobicContact CG2-CB 4.18Å; R338-A512 HydrophobicContact CB-CB 3.73Å; R338-A512 HydrophobicContact CG-CB 3.74Å; T510-A512 VanDerWaalsContact C-N 3.31Å; T510-A512 PolarHBondContact O-N 3.41Å; A512-P515 WeakPolarHBondContact O-CD 3.27Å
513	S	92.9	Very high	94.7	Very high	23 Å²	23	38.3 Å²	38.3	16%	0.161	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.5	178.2	63.6	0	0	0	0	114.7	G509 T510 D511 P515 V516 H517	G509-S513 WeakPolarHBondContact CA-OG 3.33Å; G509-S513 PolarHBondContact O-N 3.38Å; G509-S513 PolarHBondContact O-OG 3.19Å; G509-S513 VanDerWaalsContact O-OG 3.13Å; T510-S513 WeakPolarHBondContact O-CB 3.23Å; T510-S513 PolarHBondContact O-N 3.45Å; T510-S513 PolarHBondContact O-OG 2.96Å; D511-S513 PolarHBondContact O-N 2.84Å; D511-S513 VanDerWaalsContact O-N 3.14Å; S513-P515 VanDerWaalsContact C-CD 3.46Å; S513-V516 WeakPolarHBondContact O-CB 3.24Å; S513-V516 PolarHBondContact O-N 3.2Å; S513-V516 VanDerWaalsContact O-N 3.07Å; S513-H517 PolarHBondContact O-CD2 3.41Å; S513-H517 PolarHBondContact O-N 3.48Å
514	I	96.1	Very high	94.4	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-44.1	-50.7	173.5	-77	157.8	0	0	0	113.6	I500 M503 G509 V516 H517 I518	I500-I514 HydrophobicContact CB-CG2 4.36Å; I500-I514 HydrophobicContact CG1-CG2 3.75Å; I500-I514 HydrophobicContact CG2-CG2 4.39Å; M503-I514 HydrophobicContact CB-CD1 4.21Å; M503-I514 HydrophobicContact CB-CG1 3.96Å; M503-I514 HydrophobicContact CE-CB 4.28Å; M503-I514 HydrophobicContact CE-CG1 3.81Å; M503-I514 HydrophobicContact CE-CG2 4.41Å; M503-I514 HydrophobicContact SD-CB 4.47Å; M503-I514 HydrophobicContact SD-CG1 4.14Å; M503-I514 HydrophobicContact SD-CG2 3.97Å; G509-I514 WeakPolarHBondContact O-CG1 3.43Å; G509-I514 PolarHBondContact O-N 2.97Å; I514-V516 VanDerWaalsContact C-N 3.26Å; I514-V516 PolarHBondContact O-N 3.45Å; I514-H517 PolarHBondContact O-N 2.6Å; I514-I518 HydrophobicContact CG2-CD1 3.66Å; I514-I518 HydrophobicContact CG2-CG1 4.28Å; I514-I518 WeakPolarHBondContact O-CG1 3.36Å; I514-I518 PolarHBondContact O-N 2.62Å
515	P	97	Very high	94.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-38.2	-178.7	-26.8	36	0	0	0	113.8	L307 P318 M322 A512 S513 N519	L307-P515 HydrophobicContact CD1-CG 3.54Å; L307-P515 HydrophobicContact CD2-CG 4.06Å; L307-P515 HydrophobicContact CG-CG 4.47Å; P318-P515 HydrophobicContact CB-CB 3.94Å; P318-P515 HydrophobicContact CB-CG 4.34Å; M322-P515 HydrophobicContact CE-CG 4.45Å; A512-P515 WeakPolarHBondContact O-CD 3.27Å; S513-P515 VanDerWaalsContact C-CD 3.46Å; P515-N519 WeakPolarHBondContact O-CB 3.23Å; P515-N519 PolarHBondContact O-N 2.86Å
516	V	95.8	Very high	94.5	Very high	60 Å²	60	31.9 Å²	31.9	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-66	-48.5	-178.9	179.4	0	0	0	0	109.6	S513 I514 N519 N520	S513-V516 WeakPolarHBondContact O-CB 3.24Å; S513-V516 PolarHBondContact O-N 3.2Å; S513-V516 VanDerWaalsContact O-N 3.07Å; I514-V516 VanDerWaalsContact C-N 3.26Å; I514-V516 PolarHBondContact O-N 3.45Å; V516-N519 PolarHBondContact O-N 3.43Å; V516-N520 WeakPolarHBondContact O-CB 3.38Å; V516-N520 PolarHBondContact O-N 3.18Å; V516-N520 PolarHBondContact O-OD1 2.63Å; V516-N520 VanDerWaalsContact O-OD1 3.12Å
517	H	97.1	Very high	94.5	Very high	17 Å²	17	28.5 Å²	28.5	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-38.4	-178.1	-62.1	-44.2	0	0	0	113.2	C217 M503 S513 I514 N520 I521	C217-H517 PolarHBondContact SG-CD2 3.3Å; M503-H517 HydrophobicContact CE-CB 4.01Å; S513-H517 PolarHBondContact O-CD2 3.41Å; S513-H517 PolarHBondContact O-N 3.48Å; I514-H517 PolarHBondContact O-N 2.6Å; H517-N520 PolarHBondContact O-N 2.85Å; H517-I521 PolarHBondContact O-N 2.81Å
518	I	97.9	Very high	94.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-46.3	173.4	-64	179.4	0	0	0	110.2	T221 P318 L499 I500 M503 I514 N520 I521 C522 L535	T221-I518 HydrophobicContact CG2-CG1 4.23Å; P318-I518 HydrophobicContact CG-CD1 4.31Å; P318-I518 HydrophobicContact CG-CG2 4.28Å; L499-I518 HydrophobicContact CD2-CD1 3.99Å; L499-I518 HydrophobicContact CD2-CG1 3.78Å; L499-I518 HydrophobicContact CD2-CG2 4.36Å; L499-I518 HydrophobicContact CG-CD1 4.1Å; L499-I518 HydrophobicContact CG-CG1 4.28Å; I500-I518 HydrophobicContact CG1-CD1 3.6Å; M503-I518 HydrophobicContact SD-CD1 4.04Å; M503-I518 HydrophobicContact SD-CG1 3.81Å; I514-I518 HydrophobicContact CG2-CD1 3.66Å; I514-I518 HydrophobicContact CG2-CG1 4.28Å; I514-I518 WeakPolarHBondContact O-CG1 3.36Å; I514-I518 PolarHBondContact O-N 2.62Å; I518-N520 VanDerWaalsContact C-N 3.29Å; I518-N520 PolarHBondContact O-N 3.17Å; I518-I521 WeakPolarHBondContact O-CG1 3.47Å; I518-I521 PolarHBondContact O-N 3.33Å; I518-C522 PolarHBondContact O-N 3.07Å; I518-C522 PolarHBondContact O-SG 2.59Å; I518-C522 VanDerWaalsContact O-SG 3.36Å; I518-L535 HydrophobicContact CG2-CD1 4.44Å
519	N	97.1	Very high	94.6	Very high	44 Å²	44	32.2 Å²	32.2	24%	0.235	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-36.4	177.6	177.5	72.6	0	0	0	112.1	Q319 P515 V516 C522 Q523	Q319-N519 HydrophobicContact CB-CB 3.83Å; Q319-N519 HydrophobicContact CG-CB 4.29Å; P515-N519 WeakPolarHBondContact O-CB 3.23Å; P515-N519 PolarHBondContact O-N 2.86Å; V516-N519 PolarHBondContact O-N 3.43Å; N519-C522 WeakPolarHBondContact O-CB 3.5Å; N519-C522 PolarHBondContact O-N 3.06Å; N519-Q523 PolarHBondContact ND2-NE2 2.9Å; N519-Q523 WeakPolarHBondContact O-CB 3.34Å; N519-Q523 WeakPolarHBondContact O-CG 3.4Å; N519-Q523 PolarHBondContact O-N 3.48Å
520	N	95.6	Very high	94.7	Very high	23 Å²	23	35.9 Å²	35.9	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-46.2	177.7	-73.3	-0.7	0	0	0	112.2	Q218 V516 H517 I518 C522 Q523 R524	Q218-N520 HydrophobicContact CG-CB 4.4Å; V516-N520 WeakPolarHBondContact O-CB 3.38Å; V516-N520 PolarHBondContact O-N 3.18Å; V516-N520 PolarHBondContact O-OD1 2.63Å; V516-N520 VanDerWaalsContact O-OD1 3.12Å; H517-N520 PolarHBondContact O-N 2.85Å; I518-N520 VanDerWaalsContact C-N 3.29Å; I518-N520 PolarHBondContact O-N 3.17Å; N520-C522 VanDerWaalsContact C-N 3.27Å; N520-C522 PolarHBondContact O-N 3.24Å; N520-Q523 PolarHBondContact O-N 2.85Å; N520-R524 WeakPolarHBondContact O-CB 3.43Å; N520-R524 VanDerWaalsContact O-CG 3.23Å; N520-R524 WeakPolarHBondContact O-CG 3.39Å; N520-R524 PolarHBondContact O-N 3.4Å
521	I	97.9	Very high	94.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-30.1	178	60.9	164.9	0	0	0	112.5	Q218 T221 L222 L499 H517 I518 Y526 V527	Q218-I521 HydrophobicContact CG-CG2 3.4Å; Q218-I521 VanDerWaalsContact CG-CG2 3.4Å; Q218-I521 WeakPolarHBondContact O-CG2 3.46Å; T221-I521 HydrophobicContact CG2-CD1 4.02Å; L222-I521 HydrophobicContact CB-CG2 4.05Å; L499-I521 HydrophobicContact CD2-CD1 4.21Å; H517-I521 PolarHBondContact O-N 2.81Å; I518-I521 WeakPolarHBondContact O-CG1 3.47Å; I518-I521 PolarHBondContact O-N 3.33Å; I521-Y526 PolarHBondContact O-N 2.84Å; I521-V527 HydrophobicContact CB-CG2 4.34Å; I521-V527 HydrophobicContact CD1-CG1 4.17Å; I521-V527 HydrophobicContact CD1-CG2 3.83Å; I521-V527 HydrophobicContact CG1-CG2 3.87Å; I521-V527 PolarHBondContact O-N 2.98Å
522	C	96.4	Very high	95.3	Very high	30 Å²	30	39.4 Å²	39.4	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-71.4	-49.3	173.4	-65	0	0	0	0	111.6	I518 N519 N520 R524 N525 V527	I518-C522 PolarHBondContact O-N 3.07Å; I518-C522 PolarHBondContact O-SG 2.59Å; I518-C522 VanDerWaalsContact O-SG 3.36Å; N519-C522 WeakPolarHBondContact O-CB 3.5Å; N519-C522 PolarHBondContact O-N 3.06Å; N520-C522 VanDerWaalsContact C-N 3.27Å; N520-C522 PolarHBondContact O-N 3.24Å; C522-R524 VanDerWaalsContact C-N 3.28Å; C522-R524 PolarHBondContact O-N 2.9Å; C522-N525 WeakPolarHBondContact O-CA 3.24Å; C522-N525 PolarHBondContact O-N 3.31Å; C522-V527 HydrophobicContact CB-CG2 4.47Å
523	Q	94.4	Very high	95.8	Very high	108 Å²	108	42 Å²	42	51%	0.505	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-33.7	-179.6	-75.1	-173.7	-9	0	0	112.6	N519 N520 N525	N519-Q523 PolarHBondContact ND2-NE2 2.9Å; N519-Q523 WeakPolarHBondContact O-CB 3.34Å; N519-Q523 WeakPolarHBondContact O-CG 3.4Å; N519-Q523 PolarHBondContact O-N 3.48Å; N520-Q523 PolarHBondContact O-N 2.85Å; Q523-N525 PolarHBondContact O-N 2.8Å
524	R	91	Very high	96	Very high	27 Å²	27	44.5 Å²	44.5	10%	0.102	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	0.3	174.2	-64.1	-62.7	-174.5	135.4	1.4	113.8	N520 C522 Y526	N520-R524 WeakPolarHBondContact O-CB 3.43Å; N520-R524 VanDerWaalsContact O-CG 3.23Å; N520-R524 WeakPolarHBondContact O-CG 3.39Å; N520-R524 PolarHBondContact O-N 3.4Å; C522-R524 VanDerWaalsContact C-N 3.28Å; C522-R524 PolarHBondContact O-N 2.9Å; R524-Y526 HydrophobicContact CB-CD1 4.19Å; R524-Y526 HydrophobicContact CB-CD2 4.07Å; R524-Y526 HydrophobicContact CB-CE1 4Å; R524-Y526 HydrophobicContact CB-CE2 3.95Å; R524-Y526 HydrophobicContact CB-CG 4.19Å; R524-Y526 WeakPolarHBondContact O-CD1 3.49Å; R524-Y526 WeakPolarHBondContact O-CE1 3.4Å; R524-Y526 PolarHBondContact O-N 3.04Å
525	N	94.9	Very high	96.1	Very high	85 Å²	85	44 Å²	44	46%	0.455	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	35.8	-179.1	-164.1	35.9	0	0	0	113	C522 Q523 T538	C522-N525 WeakPolarHBondContact O-CA 3.24Å; C522-N525 PolarHBondContact O-N 3.31Å; Q523-N525 PolarHBondContact O-N 2.8Å; N525-T538 WeakPolarHBondContact O-CB 3.24Å; N525-T538 WeakPolarHBondContact O-CG2 3.25Å; N525-T538 PolarHBondContact O-OG1 2.79Å
526	Y	97.6	Very high	96.2	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.016	25%	0.254	C	S	.	.	S	Bend	trans	-84.2	-23.8	170.6	-61.6	-17.8	0	0	0	111.8	L211 S213 L222 I521 R524 P537 T538 L540 L544	L211-Y526 WeakPolarHBondContact O-CE1 3.43Å; L211-Y526 PolarHBondContact O-OH 2.86Å; S213-Y526 WeakPolarHBondContact CA-OH 3.28Å; S213-Y526 PolarHBondContact N-OH 3.09Å; S213-Y526 PolarHBondContact O-OH 2.81Å; S213-Y526 PolarHBondContact OG-OH 3.05Å; L222-Y526 HydrophobicContact CD2-CD2 3.73Å; L222-Y526 HydrophobicContact CD2-CG 3.98Å; I521-Y526 PolarHBondContact O-N 2.84Å; R524-Y526 HydrophobicContact CB-CD1 4.19Å; R524-Y526 HydrophobicContact CB-CD2 4.07Å; R524-Y526 HydrophobicContact CB-CE1 4Å; R524-Y526 HydrophobicContact CB-CE2 3.95Å; R524-Y526 HydrophobicContact CB-CG 4.19Å; R524-Y526 WeakPolarHBondContact O-CD1 3.49Å; R524-Y526 WeakPolarHBondContact O-CE1 3.4Å; R524-Y526 PolarHBondContact O-N 3.04Å; Y526-P537 WeakPolarHBondContact O-CA 3.46Å; Y526-T538 PolarHBondContact O-N 3.41Å; Y526-T538 PolarHBondContact O-OG1 2.83Å; Y526-L540 HydrophobicContact CD1-CD2 4.28Å; Y526-L540 HydrophobicContact CD1-CG 4.37Å; Y526-L540 HydrophobicContact CE1-CD2 3.86Å; Y526-L540 HydrophobicContact CE1-CG 4.2Å; Y526-L544 HydrophobicContact CD1-CD1 4.22Å; Y526-L544 HydrophobicContact CE1-CD1 3.7Å; Y526-L544 HydrophobicContact CE2-CD1 4.16Å
527	V	98.1	Very high	96.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.6	170.4	-63.1	0	0	0	0	109.7	L222 C225 I521 C522 L535 K536	L222-V527 HydrophobicContact CD1-CG1 3.67Å; C225-V527 HydrophobicContact CB-CG1 4.09Å; I521-V527 HydrophobicContact CB-CG2 4.34Å; I521-V527 HydrophobicContact CD1-CG1 4.17Å; I521-V527 HydrophobicContact CD1-CG2 3.83Å; I521-V527 HydrophobicContact CG1-CG2 3.87Å; I521-V527 PolarHBondContact O-N 2.98Å; C522-V527 HydrophobicContact CB-CG2 4.47Å; V527-L535 HydrophobicContact CB-CB 4.35Å; V527-L535 HydrophobicContact CG2-CD2 4.08Å; V527-K536 CarbonylContact C-O 3.53Å; V527-K536 VanDerWaalsContact CA-O 3.24Å; V527-K536 WeakPolarHBondContact CA-O 3.41Å
528	T	97.4	Very high	96.3	Very high	50 Å²	50	45.8 Å²	45.8	31%	0.307	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.5	165	55.8	0	0	0	0	109.7	L535 K536 T538	T528-L535 WeakPolarHBondContact O-CA 3.37Å; T528-K536 PolarHBondContact N-O 3.18Å; T528-K536 PolarHBondContact O-N 3.37Å; T528-T538 HydrophobicContact CG2-CG2 3.95Å
529	V	97.3	Very high	95.9	Very high	50 Å²	50	49.5 Å²	49.5	30%	0.303	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	104.7	179.1	-155.1	0	0	0	0	110.1	R533 R534 L535	V529-R533 VanDerWaalsContact CG1-CZ 3.49Å; V529-R533 VanDerWaalsContact CG1-NE 3.34Å; V529-R534 CarbonylContact C-O 3.49Å; V529-R534 WeakPolarHBondContact CA-O 3.24Å; V529-L535 HydrophobicContact CB-CD2 4.47Å; V529-L535 HydrophobicContact CG1-CD2 4.08Å; V529-L535 HydrophobicContact CG2-CD2 3.9Å
530	E	94.7	Very high	95.7	Very high	78 Å²	78	48.2 Å²	48.2	36%	0.364	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	176.7	-177.5	-63.2	-74.4	163.5	0	0	112.1	G532 R533 R534 K536	E530-G532 PolarHBondContact O-N 3.44Å; E530-R533 WeakPolarHBondContact O-CA 3.48Å; E530-R533 PolarHBondContact O-N 3Å; E530-R534 HydrophobicContact CB-CB 4.29Å; E530-R534 PolarHBondContact N-O 3.24Å; E530-R534 PolarHBondContact O-N 3.02Å; E530-K536 HydrophobicContact CG-CB 3.85Å; E530-K536 HydrophobicContact CG-CD 4.2Å
531	N	92.6	Very high	95.8	Very high	133 Å²	133	47.1 Å²	47.1	71%	0.711	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	136.6	174.4	-71.8	-15.3	0	0	0	112	R533 R534	N531-R533 VanDerWaalsContact C-N 3.34Å; N531-R534 PolarHBondContact O-NE 2.65Å; N531-R534 PolarHBondContact O-NH2 2.74Å
532	G	93.4	Very high	95.7	Very high	60 Å²	60	48.2 Å²	48.2	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	22.2	-173	0	0	0	0	0	113.8	E530 R534	E530-G532 PolarHBondContact O-N 3.44Å; G532-R534 PolarHBondContact O-N 3.07Å
533	R	96.5	Very high	95.6	Very high	72 Å²	72	47.1 Å²	47.1	27%	0.272	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	38	179.9	-58.4	-89.3	55.9	80.9	-1.6	112.9	S311 T495 E496 V529 E530 N531	S311-R533 WeakPolarHBondContact OG-CB 3.24Å; T495-R533 WeakPolarHBondContact CA-O 3.29Å; E496-R533 HydrophobicContact CG-CB 4.48Å; E496-R533 PolarHBondContact N-O 3.06Å; E496-R533 IonicContact OE1-NE 3Å; E496-R533 WeakPolarHBondContact OE2-CD 3.38Å; E496-R533 IonicContact OE2-NE 3.3Å; V529-R533 VanDerWaalsContact CG1-CZ 3.49Å; V529-R533 VanDerWaalsContact CG1-NE 3.34Å; E530-R533 WeakPolarHBondContact O-CA 3.48Å; E530-R533 PolarHBondContact O-N 3Å; N531-R533 VanDerWaalsContact C-N 3.34Å
534	R	98.1	Very high	95.7	Very high	76 Å²	76	42 Å²	42	29%	0.287	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.2	179.2	-73	177.4	-67.6	179.6	1.1	110.8	L494 T495 V529 E530 N531 G532	L494-R534 CarbonylContact O-C 3.55Å; L494-R534 WeakPolarHBondContact O-CA 3.36Å; T495-R534 HydrophobicContact CG2-CG 3.89Å; V529-R534 CarbonylContact C-O 3.49Å; V529-R534 WeakPolarHBondContact CA-O 3.24Å; E530-R534 HydrophobicContact CB-CB 4.29Å; E530-R534 PolarHBondContact N-O 3.24Å; E530-R534 PolarHBondContact O-N 3.02Å; N531-R534 PolarHBondContact O-NE 2.65Å; N531-R534 PolarHBondContact O-NH2 2.74Å; G532-R534 PolarHBondContact O-N 3.07Å
535	L	98.4	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	102.2	-178.9	-59.4	173.5	0	0	0	109.4	L494 E496 L499 I518 V527 T528 V529	L494-L535 PolarHBondContact O-N 2.96Å; E496-L535 HydrophobicContact CG-CD1 4.1Å; E496-L535 HydrophobicContact CG-CD2 3.96Å; E496-L535 HydrophobicContact CG-CG 4.08Å; L499-L535 HydrophobicContact CB-CD1 4.16Å; L499-L535 HydrophobicContact CD2-CD1 3.31Å; L499-L535 HydrophobicContact CG-CD1 4.38Å; I518-L535 HydrophobicContact CG2-CD1 4.44Å; V527-L535 HydrophobicContact CB-CB 4.35Å; V527-L535 HydrophobicContact CG2-CD2 4.08Å; T528-L535 WeakPolarHBondContact O-CA 3.37Å; V529-L535 HydrophobicContact CB-CD2 4.47Å; V529-L535 HydrophobicContact CG1-CD2 4.08Å; V529-L535 HydrophobicContact CG2-CD2 3.9Å
536	K	98.3	Very high	96.1	Very high	85 Å²	85	40 Å²	40	37%	0.37	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.9	177.8	-179.6	-179.3	175.7	-173.9	0	109.4	Y493 V527 T528 E530 T538	Y493-K536 HydrophobicContact CD2-CB 4.43Å; Y493-K536 HydrophobicContact CD2-CG 4.38Å; Y493-K536 HydrophobicContact CE1-CG 4.31Å; Y493-K536 HydrophobicContact CE2-CD 4.32Å; Y493-K536 HydrophobicContact CE2-CG 4.06Å; Y493-K536 HydrophobicContact CG-CB 4.48Å; V527-K536 CarbonylContact C-O 3.53Å; V527-K536 VanDerWaalsContact CA-O 3.24Å; V527-K536 WeakPolarHBondContact CA-O 3.41Å; T528-K536 PolarHBondContact N-O 3.18Å; T528-K536 PolarHBondContact O-N 3.37Å; E530-K536 HydrophobicContact CG-CB 3.85Å; E530-K536 HydrophobicContact CG-CD 4.2Å; K536-T538 PolarHBondContact O-N 2.86Å
537	P	98.2	Very high	96	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	136.2	174.9	-27.2	37.4	0	0	0	112.8	C225 V226 H229 Y526 I542	C225-P537 HydrophobicContact CB-CG 3.94Å; C225-P537 WeakPolarHBondContact O-CG 3.5Å; V226-P537 HydrophobicContact CG2-CB 3.97Å; V226-P537 HydrophobicContact CG2-CG 4.03Å; H229-P537 HydrophobicContact CB-CG 3.97Å; Y526-P537 WeakPolarHBondContact O-CA 3.46Å; P537-I542 HydrophobicContact CB-CD1 4.08Å; P537-I542 HydrophobicContact CB-CG1 3.56Å
538	T	95.9	Very high	95.9	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.153	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-80.2	166	170.2	68.1	0	0	0	0	110.2	N525 Y526 T528 K536 L540 G541 I542	N525-T538 WeakPolarHBondContact O-CB 3.24Å; N525-T538 WeakPolarHBondContact O-CG2 3.25Å; N525-T538 PolarHBondContact O-OG1 2.79Å; Y526-T538 PolarHBondContact O-N 3.41Å; Y526-T538 PolarHBondContact O-OG1 2.83Å; T528-T538 HydrophobicContact CG2-CG2 3.95Å; K536-T538 PolarHBondContact O-N 2.86Å; T538-L540 PolarHBondContact O-N 2.91Å; T538-G541 PolarHBondContact O-N 2.75Å; T538-G541 VanDerWaalsContact O-N 3.09Å; T538-G541 PolarHBondContact OG1-N 3.45Å; T538-I542 WeakPolarHBondContact O-CG1 3.49Å; T538-I542 PolarHBondContact O-N 3.28Å
539	N	91.1	Very high	95.9	Very high	80 Å²	80	43.3 Å²	43.3	43%	0.428	22%	0.221	S	C	.	.	H	α-helix	trans	-55.6	-40.9	177.1	-168.8	28.7	0	0	0	111.9	I542 V543	N539-I542 PolarHBondContact O-N 2.87Å; N539-V543 WeakPolarHBondContact O-CB 3.29Å; N539-V543 VanDerWaalsContact O-CG2 3.25Å; N539-V543 WeakPolarHBondContact O-CG2 3.39Å; N539-V543 PolarHBondContact O-N 3.32Å
540	L	92.8	Very high	95.7	Very high	17 Å²	17	46 Å²	46	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-44.4	176.4	-177.8	60.3	0	0	0	111.9	L207 L211 I212 Y526 T538 I542 V543 L544 M607 F611	L207-L540 HydrophobicContact CD1-CD1 3.92Å; L211-L540 HydrophobicContact CB-CD2 4.13Å; I212-L540 HydrophobicContact CG1-CD1 4.21Å; Y526-L540 HydrophobicContact CD1-CD2 4.28Å; Y526-L540 HydrophobicContact CD1-CG 4.37Å; Y526-L540 HydrophobicContact CE1-CD2 3.86Å; Y526-L540 HydrophobicContact CE1-CG 4.2Å; T538-L540 PolarHBondContact O-N 2.91Å; L540-I542 PolarHBondContact O-N 3.02Å; L540-V543 PolarHBondContact O-N 3.34Å; L540-L544 HydrophobicContact CD1-CD1 4.07Å; L540-L544 HydrophobicContact CD1-CG 4.05Å; L540-L544 HydrophobicContact CG-CD1 3.92Å; L540-L544 HydrophobicContact CG-CG 4.35Å; L540-L544 WeakPolarHBondContact O-CB 3.35Å; L540-L544 VanDerWaalsContact O-CG 3.26Å; L540-L544 WeakPolarHBondContact O-CG 3.38Å; L540-L544 PolarHBondContact O-N 2.84Å; L540-M607 HydrophobicContact CD1-CE 3.98Å; L540-M607 HydrophobicContact CD1-SD 4.34Å; L540-F611 HydrophobicContact CB-CZ 3.96Å; L540-F611 HydrophobicContact CD1-CE2 4.14Å; L540-F611 HydrophobicContact CD1-CZ 3.95Å
541	G	96.1	Very high	95.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-43.7	177.9	0	0	0	0	0	112.8	T538 V545	T538-G541 PolarHBondContact O-N 2.75Å; T538-G541 VanDerWaalsContact O-N 3.09Å; T538-G541 PolarHBondContact OG1-N 3.45Å; G541-V545 WeakPolarHBondContact O-CG2 3.37Å; G541-V545 PolarHBondContact O-N 2.78Å; G541-V545 VanDerWaalsContact O-N 3.13Å
542	I	96.3	Very high	95.9	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.118	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-52.9	177.5	-64.7	163.3	0	0	0	110.4	V226 P537 T538 N539 L540 L544 V545 H546	V226-I542 HydrophobicContact CG1-CG2 4.49Å; V226-I542 HydrophobicContact CG2-CG1 4.39Å; P537-I542 HydrophobicContact CB-CD1 4.08Å; P537-I542 HydrophobicContact CB-CG1 3.56Å; T538-I542 WeakPolarHBondContact O-CG1 3.49Å; T538-I542 PolarHBondContact O-N 3.28Å; N539-I542 PolarHBondContact O-N 2.87Å; L540-I542 PolarHBondContact O-N 3.02Å; I542-L544 VanDerWaalsContact C-N 3.32Å; I542-L544 PolarHBondContact O-N 2.79Å; I542-V545 PolarHBondContact O-N 3.32Å; I542-H546 WeakPolarHBondContact CG2-CE1 3.43Å; I542-H546 WeakPolarHBondContact CG2-ND1 3.3Å; I542-H546 WeakPolarHBondContact O-CB 3.36Å; I542-H546 PolarHBondContact O-N 2.96Å
543	V	94.2	Very high	96.1	Very high	7 Å²	7	36 Å²	36	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-40	-177.6	171.4	0	0	0	0	111.9	N539 L540 G547 L606 M607 S610 F611	N539-V543 WeakPolarHBondContact O-CB 3.29Å; N539-V543 VanDerWaalsContact O-CG2 3.25Å; N539-V543 WeakPolarHBondContact O-CG2 3.39Å; N539-V543 PolarHBondContact O-N 3.32Å; L540-V543 PolarHBondContact O-N 3.34Å; V543-G547 PolarHBondContact O-N 3.35Å; V543-L606 HydrophobicContact CG1-CB 3.88Å; V543-M607 HydrophobicContact CG1-CE 3.87Å; V543-M607 HydrophobicContact CG1-CG 3.91Å; V543-M607 HydrophobicContact CG1-SD 3.55Å; V543-M607 VanDerWaalsContact CG1-SD 3.55Å; V543-S610 WeakPolarHBondContact CG2-OG 3.32Å; V543-F611 HydrophobicContact CB-CE2 4.29Å; V543-F611 HydrophobicContact CG1-CE2 4.3Å; V543-F611 HydrophobicContact CG2-CE2 4.2Å
544	L	96.4	Very high	96.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-51.6	176	-75.2	172.5	0	0	0	111	I212 Y526 L540 I542 G547 Y548 M603 M607	I212-L544 HydrophobicContact CG2-CD2 3.97Å; Y526-L544 HydrophobicContact CD1-CD1 4.22Å; Y526-L544 HydrophobicContact CE1-CD1 3.7Å; Y526-L544 HydrophobicContact CE2-CD1 4.16Å; L540-L544 HydrophobicContact CD1-CD1 4.07Å; L540-L544 HydrophobicContact CD1-CG 4.05Å; L540-L544 HydrophobicContact CG-CD1 3.92Å; L540-L544 HydrophobicContact CG-CG 4.35Å; L540-L544 WeakPolarHBondContact O-CB 3.35Å; L540-L544 VanDerWaalsContact O-CG 3.26Å; L540-L544 WeakPolarHBondContact O-CG 3.38Å; L540-L544 PolarHBondContact O-N 2.84Å; I542-L544 VanDerWaalsContact C-N 3.32Å; I542-L544 PolarHBondContact O-N 2.79Å; L544-G547 PolarHBondContact O-N 3.23Å; L544-Y548 HydrophobicContact CB-CD2 4.47Å; L544-Y548 HydrophobicContact CB-CE2 4.02Å; L544-Y548 HydrophobicContact CD2-CE2 4.32Å; L544-Y548 WeakPolarHBondContact O-CD2 3.46Å; L544-Y548 PolarHBondContact O-N 3.35Å; L544-M603 HydrophobicContact CD2-CE 4.23Å; L544-M603 HydrophobicContact CD2-SD 4.26Å; L544-M603 VanDerWaalsContact O-CE 3.22Å; L544-M603 WeakPolarHBondContact O-CE 3.39Å; L544-M607 HydrophobicContact CD2-CE 3.47Å; L544-M607 VanDerWaalsContact CD2-CE 3.47Å; L544-M607 HydrophobicContact CG-CE 4Å
545	V	98.1	Very high	96.1	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-47.8	179.8	169.9	0	0	0	0	111.5	L222 V226 G541 I542 G547 Y548 Y549 V556	L222-V545 HydrophobicContact CB-CG2 4.24Å; L222-V545 HydrophobicContact CD2-CG2 3.68Å; L222-V545 HydrophobicContact CG-CG2 3.61Å; V226-V545 HydrophobicContact CB-CB 3.99Å; V226-V545 HydrophobicContact CB-CG1 3.85Å; V226-V545 HydrophobicContact CB-CG2 4.15Å; V226-V545 HydrophobicContact CG1-CB 3.96Å; V226-V545 HydrophobicContact CG1-CG1 3.8Å; V226-V545 HydrophobicContact CG2-CB 3.89Å; V226-V545 HydrophobicContact CG2-CG1 4.31Å; V226-V545 HydrophobicContact CG2-CG2 3.73Å; G541-V545 WeakPolarHBondContact O-CG2 3.37Å; G541-V545 PolarHBondContact O-N 2.78Å; G541-V545 VanDerWaalsContact O-N 3.13Å; I542-V545 PolarHBondContact O-N 3.32Å; V545-G547 VanDerWaalsContact C-N 3.31Å; V545-G547 PolarHBondContact O-N 3.27Å; V545-Y548 PolarHBondContact O-N 3.46Å; V545-Y549 VanDerWaalsContact O-CB 3.26Å; V545-Y549 WeakPolarHBondContact O-CB 3.22Å; V545-Y549 PolarHBondContact O-N 3.12Å; V545-V556 HydrophobicContact CG1-CG1 3.72Å; V545-V556 HydrophobicContact CG1-CG2 4.25Å
546	H	96.1	Very high	96.1	Very high	63 Å²	63	34 Å²	34	29%	0.292	17%	0.166	S	C	.	.	H	α-helix	trans	-61.9	-39.5	178.6	-69.9	174.3	0	0	0	112	D230 I542 Y549 K550 L606	D230-H546 VanDerWaalsContact CG-NE2 3.28Å; D230-H546 IonicContact OD1-CE1 2.8Å; D230-H546 PolarHBondContact OD1-CE1 3.43Å; D230-H546 VanDerWaalsContact OD1-CE1 3.3Å; D230-H546 IonicContact OD1-NE2 3.47Å; D230-H546 PolarHBondContact OD1-NE2 3.34Å; D230-H546 IonicContact OD2-CD2 2.93Å; D230-H546 IonicContact OD2-CE1 2.62Å; D230-H546 IonicContact OD2-NE2 3.66Å; D230-H546 PolarHBondContact OD2-NE2 3.31Å; I542-H546 WeakPolarHBondContact CG2-CE1 3.43Å; I542-H546 WeakPolarHBondContact CG2-ND1 3.3Å; I542-H546 WeakPolarHBondContact O-CB 3.36Å; I542-H546 PolarHBondContact O-N 2.96Å; H546-Y549 PolarHBondContact O-N 3.22Å; H546-K550 VanDerWaalsContact O-CB 3.24Å; H546-K550 WeakPolarHBondContact O-CB 3.39Å; H546-K550 PolarHBondContact O-N 3.04Å; H546-L606 HydrophobicContact CB-CD1 3.97Å
547	G	95	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-45.8	176.2	0	0	0	0	0	112.5	V543 L544 V545 T551	V543-G547 PolarHBondContact O-N 3.35Å; L544-G547 PolarHBondContact O-N 3.23Å; V545-G547 VanDerWaalsContact C-N 3.31Å; V545-G547 PolarHBondContact O-N 3.27Å; G547-T551 PolarHBondContact O-N 3.33Å; G547-T551 VanDerWaalsContact O-N 3.12Å; G547-T551 PolarHBondContact O-OG1 3.35Å
548	Y	97.9	Very high	96	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-45.4	174.7	-66.8	-48.1	0	0	0	110.9	Q196 F214 T219 L544 V545 K550 T551 D552 L555 F596 M603	Q196-Y548 PolarHBondContact NE2-OH 3.5Å; Q196-Y548 PolarHBondContact OE1-OH 2.99Å; F214-Y548 HydrophobicContact CD2-CE1 4.02Å; F214-Y548 AromaticContact CD2-CE2 3.96Å; F214-Y548 HydrophobicContact CD2-CE2 3.96Å; F214-Y548 AromaticContact CD2-CZ 3.72Å; T219-Y548 HydrophobicContact CG2-CD2 3.62Å; T219-Y548 HydrophobicContact CG2-CE2 3.96Å; T219-Y548 HydrophobicContact CG2-CG 4.47Å; L544-Y548 HydrophobicContact CB-CD2 4.47Å; L544-Y548 HydrophobicContact CB-CE2 4.02Å; L544-Y548 HydrophobicContact CD2-CE2 4.32Å; L544-Y548 WeakPolarHBondContact O-CD2 3.46Å; L544-Y548 PolarHBondContact O-N 3.35Å; V545-Y548 PolarHBondContact O-N 3.46Å; Y548-K550 PolarHBondContact O-N 3.04Å; Y548-T551 PolarHBondContact O-N 3.03Å; Y548-D552 CarbonylContact O-C 3.3Å; Y548-D552 VanDerWaalsContact O-C 3.27Å; Y548-D552 PolarHBondContact O-N 3.35Å; Y548-L555 HydrophobicContact CD1-CD1 4.33Å; Y548-F596 HydrophobicContact CD1-CD2 4.26Å; Y548-F596 AromaticContact CD1-CE2 3.57Å; Y548-F596 HydrophobicContact CD1-CE2 3.57Å; Y548-F596 HydrophobicContact CD1-CZ 4.17Å; Y548-F596 AromaticContact CE1-CE2 3.63Å; Y548-F596 HydrophobicContact CE1-CE2 3.63Å; Y548-F596 AromaticContact CE1-CZ 3.73Å; Y548-F596 HydrophobicContact CE1-CZ 3.73Å; Y548-M603 HydrophobicContact CD1-CE 3.6Å; Y548-M603 HydrophobicContact CD2-CE 4.21Å; Y548-M603 HydrophobicContact CE1-CE 3.61Å; Y548-M603 HydrophobicContact CE1-SD 4.27Å; Y548-M603 HydrophobicContact CE2-CE 4.26Å; Y548-M603 HydrophobicContact CG-CE 3.87Å
549	Y	95.8	Very high	96.1	Very high	123 Å²	123	36.7 Å²	36.7	48%	0.482	19%	0.186	S	C	.	.	H	α-helix	trans	-64.5	-41.2	-178.1	-161.7	-80.4	0	0	0	112.5	V545 H546 T551 A553 V556 L557	V545-Y549 VanDerWaalsContact O-CB 3.26Å; V545-Y549 WeakPolarHBondContact O-CB 3.22Å; V545-Y549 PolarHBondContact O-N 3.12Å; H546-Y549 PolarHBondContact O-N 3.22Å; Y549-T551 VanDerWaalsContact C-N 3.29Å; Y549-T551 PolarHBondContact O-N 3.08Å; Y549-A553 HydrophobicContact CD1-CB 4.3Å; Y549-A553 HydrophobicContact CD2-CB 4.1Å; Y549-A553 HydrophobicContact CE1-CB 4.09Å; Y549-A553 HydrophobicContact CE2-CB 3.89Å; Y549-A553 HydrophobicContact CG-CB 4.3Å; Y549-A553 PolarHBondContact O-N 2.89Å; Y549-V556 HydrophobicContact CD2-CB 4.05Å; Y549-V556 HydrophobicContact CD2-CG1 4.21Å; Y549-V556 HydrophobicContact CD2-CG2 4.42Å; Y549-L557 HydrophobicContact CE2-CD2 4.25Å; Y549-L557 HydrophobicContact CE2-CG 4.3Å
550	K	93.3	Very high	96.3	Very high	105 Å²	105	34.5 Å²	34.5	46%	0.457	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-35.1	175.9	-177.6	178.4	169.7	-168.6	0	111.9	H546 Y548 E605	H546-K550 VanDerWaalsContact O-CB 3.24Å; H546-K550 WeakPolarHBondContact O-CB 3.39Å; H546-K550 PolarHBondContact O-N 3.04Å; Y548-K550 PolarHBondContact O-N 3.04Å; K550-E605 IonicContact NZ-OE2 3.74Å; K550-E605 PolarHBondContact NZ-OE2 3.17Å
551	T	94.6	Very high	96.6	Very high	9 Å²	9	34 Å²	34	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-77.3	-60.8	176.4	-63.3	0	0	0	0	111.3	G547 Y548 Y549 Y595 F596	G547-T551 PolarHBondContact O-N 3.33Å; G547-T551 VanDerWaalsContact O-N 3.12Å; G547-T551 PolarHBondContact O-OG1 3.35Å; Y548-T551 PolarHBondContact O-N 3.03Å; Y549-T551 VanDerWaalsContact C-N 3.29Å; Y549-T551 PolarHBondContact O-N 3.08Å; T551-Y595 HydrophobicContact CG2-CD1 4.33Å; T551-Y595 HydrophobicContact CG2-CE1 4.12Å; T551-Y595 VanDerWaalsContact O-CE1 3.29Å; T551-Y595 WeakPolarHBondContact O-CE1 3.35Å; T551-F596 HydrophobicContact CG2-CB 4.44Å; T551-F596 HydrophobicContact CG2-CD2 3.9Å
552	D	97	Very high	96.6	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.134	18%	0.175	C	C	.	.			trans	-148.8	106	-179.8	177.6	4.7	0	0	0	110	Y548 E554 L555 K592 Y595	Y548-D552 CarbonylContact O-C 3.3Å; Y548-D552 VanDerWaalsContact O-C 3.27Å; Y548-D552 PolarHBondContact O-N 3.35Å; D552-E554 PolarHBondContact O-N 3.41Å; D552-E554 VanDerWaalsContact O-N 3.13Å; D552-E554 WeakPolarHBondContact OD1-CB 3.49Å; D552-E554 PolarHBondContact OD1-N 3.33Å; D552-L555 HydrophobicContact CB-CD1 4.01Å; D552-L555 HydrophobicContact CB-CG 4.05Å; D552-L555 WeakPolarHBondContact O-CB 3.24Å; D552-L555 PolarHBondContact O-N 2.96Å; D552-K592 IonicContact OD1-NZ 3.57Å; D552-K592 PolarHBondContact OD1-NZ 3.44Å; D552-K592 WeakPolarHBondContact OD2-CD 3.37Å; D552-K592 IonicContact OD2-NZ 3.52Å; D552-K592 PolarHBondContact OD2-NZ 3.24Å; D552-Y595 HydrophobicContact CB-CD1 4.49Å; D552-Y595 HydrophobicContact CB-CE1 4.39Å
553	A	97.3	Very high	96.7	Very high	29 Å²	29	35.8 Å²	35.8	24%	0.24	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57	-28.3	-179.2	0	0	0	0	0	113.5	Y549 L555 V556 L557	Y549-A553 HydrophobicContact CD1-CB 4.3Å; Y549-A553 HydrophobicContact CD2-CB 4.1Å; Y549-A553 HydrophobicContact CE1-CB 4.09Å; Y549-A553 HydrophobicContact CE2-CB 3.89Å; Y549-A553 HydrophobicContact CG-CB 4.3Å; Y549-A553 PolarHBondContact O-N 2.89Å; A553-L555 PolarHBondContact O-N 3.33Å; A553-V556 PolarHBondContact O-N 2.88Å; A553-L557 HydrophobicContact CB-CD1 4.19Å; A553-L557 WeakPolarHBondContact O-CG 3.45Å; A553-L557 PolarHBondContact O-N 2.87Å
554	E	97.3	Very high	96.8	Very high	91 Å²	91	36 Å²	36	43%	0.425	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-70	-12.6	179.7	-65.2	-174.8	169.8	0	0	113.5	D552 V556 I560 K592	D552-E554 PolarHBondContact O-N 3.41Å; D552-E554 VanDerWaalsContact O-N 3.13Å; D552-E554 WeakPolarHBondContact OD1-CB 3.49Å; D552-E554 PolarHBondContact OD1-N 3.33Å; E554-V556 VanDerWaalsContact C-N 3.29Å; E554-I560 HydrophobicContact CB-CG1 3.94Å; E554-I560 HydrophobicContact CG-CG1 4.49Å; E554-K592 WeakPolarHBondContact OE2-CE 3.32Å; E554-K592 IonicContact OE2-NZ 3.66Å; E554-K592 PolarHBondContact OE2-NZ 2.94Å
555	L	97.3	Very high	96.8	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-75.2	-20.1	170.9	-64.2	176.8	0	0	0	112.8	F192 F214 T219 Y548 D552 A553 F589 K592 F596	F192-L555 HydrophobicContact CE1-CD1 4.2Å; F192-L555 HydrophobicContact CE1-CD2 4.32Å; F192-L555 HydrophobicContact CZ-CD2 4.12Å; F214-L555 HydrophobicContact CE2-CB 4.29Å; F214-L555 HydrophobicContact CE2-CD2 4.44Å; F214-L555 HydrophobicContact CZ-CD2 4.1Å; T219-L555 WeakPolarHBondContact CG2-O 3.5Å; Y548-L555 HydrophobicContact CD1-CD1 4.33Å; D552-L555 HydrophobicContact CB-CD1 4.01Å; D552-L555 HydrophobicContact CB-CG 4.05Å; D552-L555 WeakPolarHBondContact O-CB 3.24Å; D552-L555 PolarHBondContact O-N 2.96Å; A553-L555 PolarHBondContact O-N 3.33Å; L555-F589 HydrophobicContact CD2-CE1 4.45Å; L555-K592 HydrophobicContact CD2-CB 4.42Å; L555-K592 HydrophobicContact CD2-CD 4.17Å; L555-F596 HydrophobicContact CD1-CD2 4.22Å
556	V	98.3	Very high	96.7	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-39.6	-178.9	179.6	0	0	0	0	111.1	T219 P220 V545 Y549 A553 E554	T219-V556 HydrophobicContact CG2-CG2 4.38Å; P220-V556 WeakPolarHBondContact CA-O 3.43Å; P220-V556 VanDerWaalsContact CB-O 3.28Å; P220-V556 WeakPolarHBondContact CB-O 3.38Å; V545-V556 HydrophobicContact CG1-CG1 3.72Å; V545-V556 HydrophobicContact CG1-CG2 4.25Å; Y549-V556 HydrophobicContact CD2-CB 4.05Å; Y549-V556 HydrophobicContact CD2-CG1 4.21Å; Y549-V556 HydrophobicContact CD2-CG2 4.42Å; A553-V556 PolarHBondContact O-N 2.88Å; E554-V556 VanDerWaalsContact C-N 3.29Å
557	L	98.1	Very high	96.8	Very high	68 Å²	68	42.2 Å²	42.2	36%	0.356	22%	0.216	S	C	.	.	S	Bend	trans	-64.9	140.5	179.2	-67	173.4	0	0	0	110.5	Y549 A553 T559	Y549-L557 HydrophobicContact CE2-CD2 4.25Å; Y549-L557 HydrophobicContact CE2-CG 4.3Å; A553-L557 HydrophobicContact CB-CD1 4.19Å; A553-L557 WeakPolarHBondContact O-CG 3.45Å; A553-L557 PolarHBondContact O-N 2.87Å; L557-T559 PolarHBondContact O-N 3.08Å
558	P	98	Very high	96.9	Very high	11 Å²	11	42.8 Å²	42.8	7%	0.071	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-7.3	-176.8	31.2	-38.6	0	0	0	113.5	P220 F224 H506 I508 I560 R561 S562	P220-P558 HydrophobicContact CB-CB 4.38Å; F224-P558 HydrophobicContact CE1-CG 4.21Å; F224-P558 HydrophobicContact CZ-CB 4.05Å; F224-P558 HydrophobicContact CZ-CG 3.81Å; H506-P558 HydrophobicContact CB-CB 3.98Å; H506-P558 HydrophobicContact CB-CG 3.86Å; I508-P558 HydrophobicContact CD1-CB 4.11Å; I508-P558 HydrophobicContact CG2-CB 3.91Å; P558-I560 PolarHBondContact O-N 2.86Å; P558-R561 PolarHBondContact O-N 3.22Å; P558-S562 WeakPolarHBondContact O-CB 3.47Å; P558-S562 PolarHBondContact O-N 2.78Å
559	T	97.1	Very high	96.8	Very high	94 Å²	94	45.5 Å²	45.5	58%	0.577	23%	0.234	S	C	*	.	H	α-helix	trans	-56	-51	-171.7	-48	0	0	0	0	113.3	L557 S562 A563	L557-T559 PolarHBondContact O-N 3.08Å; T559-S562 PolarHBondContact O-N 3.29Å; T559-A563 PolarHBondContact O-N 2.69Å; T559-A563 VanDerWaalsContact O-N 3.12Å
560	I	96.2	Very high	96.8	Very high	34 Å²	34	43 Å²	43	17%	0.174	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-44.9	-179.4	-64.9	-65.2	0	0	0	110.3	E554 P558 S562 A563 V564 F589	E554-I560 HydrophobicContact CB-CG1 3.94Å; E554-I560 HydrophobicContact CG-CG1 4.49Å; P558-I560 PolarHBondContact O-N 2.86Å; I560-S562 VanDerWaalsContact C-N 3.34Å; I560-S562 PolarHBondContact O-N 3.38Å; I560-A563 PolarHBondContact O-N 2.93Å; I560-V564 WeakPolarHBondContact O-CG2 3.34Å; I560-V564 PolarHBondContact O-N 3.38Å; I560-F589 HydrophobicContact CG2-CE2 3.69Å; I560-F589 HydrophobicContact CG2-CZ 3.61Å
561	R	97.4	Very high	97.1	Very high	8 Å²	8	38 Å²	38	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-42.2	179.7	-179.4	57.1	-178.4	-160.8	-5.9	111.8	D185 C217 I508 P558 A563 V564 E565	D185-R561 IonicContact OD1-CZ 3.39Å; D185-R561 IonicContact OD1-NH1 3.15Å; D185-R561 PolarHBondContact OD1-NH1 2.88Å; D185-R561 IonicContact OD1-NH2 3.3Å; D185-R561 IonicContact OD2-NH1 2.73Å; D185-R561 IonicContact OD2-NH2 3.76Å; C217-R561 HydrophobicContact CB-CG 4.09Å; I508-R561 HydrophobicContact CB-CG 4.13Å; I508-R561 HydrophobicContact CG2-CB 3.89Å; I508-R561 HydrophobicContact CG2-CG 3.77Å; P558-R561 PolarHBondContact O-N 3.22Å; R561-A563 VanDerWaalsContact C-N 3.31Å; R561-A563 PolarHBondContact O-N 3.3Å; R561-V564 PolarHBondContact O-N 2.83Å; R561-E565 IonicContact CZ-OE1 3.68Å; R561-E565 IonicContact NE-OE1 3.61Å; R561-E565 PolarHBondContact NE-OE1 2.85Å; R561-E565 IonicContact NH2-OE1 3.72Å; R561-E565 PolarHBondContact O-N 3.3Å
562	S	97.6	Very high	97.1	Very high	12 Å²	12	37.9 Å²	37.9	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-40.2	176.5	-174.7	0	0	0	0	112.3	H506 G507 P558 T559 I560 E565 K566	H506-S562 VanDerWaalsContact O-CB 3.27Å; H506-S562 WeakPolarHBondContact O-CB 3.25Å; H506-S562 PolarHBondContact O-OG 3.42Å; G507-S562 WeakPolarHBondContact O-CA 3.23Å; G507-S562 WeakPolarHBondContact O-CB 3.36Å; G507-S562 PolarHBondContact O-OG 3.06Å; P558-S562 WeakPolarHBondContact O-CB 3.47Å; P558-S562 PolarHBondContact O-N 2.78Å; T559-S562 PolarHBondContact O-N 3.29Å; I560-S562 VanDerWaalsContact C-N 3.34Å; I560-S562 PolarHBondContact O-N 3.38Å; S562-E565 PolarHBondContact O-N 3Å; S562-K566 VanDerWaalsContact O-CG 3.3Å; S562-K566 WeakPolarHBondContact O-CG 3.46Å; S562-K566 PolarHBondContact O-N 3.34Å
563	A	97.3	Very high	97.1	Very high	48 Å²	48	41.1 Å²	41.1	40%	0.397	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-41.7	175.3	0	0	0	0	0	111.9	T559 I560 R561 K566 Q567	T559-A563 PolarHBondContact O-N 2.69Å; T559-A563 VanDerWaalsContact O-N 3.12Å; I560-A563 PolarHBondContact O-N 2.93Å; R561-A563 VanDerWaalsContact C-N 3.31Å; R561-A563 PolarHBondContact O-N 3.3Å; A563-K566 PolarHBondContact O-N 2.89Å; A563-Q567 WeakPolarHBondContact O-CG 3.36Å; A563-Q567 PolarHBondContact O-N 3.13Å
564	V	96.8	Very high	97.1	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-48.1	175.5	172.8	0	0	0	0	110.9	L184 I560 R561 K566 Q567 L568 T585	L184-V564 HydrophobicContact CD1-CG1 3.88Å; I560-V564 WeakPolarHBondContact O-CG2 3.34Å; I560-V564 PolarHBondContact O-N 3.38Å; R561-V564 PolarHBondContact O-N 2.83Å; V564-K566 VanDerWaalsContact C-N 3.3Å; V564-K566 PolarHBondContact O-N 3.25Å; V564-Q567 WeakPolarHBondContact O-CA 3.49Å; V564-Q567 WeakPolarHBondContact O-CB 3.28Å; V564-Q567 PolarHBondContact O-N 3.37Å; V564-L568 HydrophobicContact CG1-CD1 4.19Å; V564-L568 HydrophobicContact CG1-CG 4.34Å; V564-L568 WeakPolarHBondContact O-CG 3.44Å; V564-L568 PolarHBondContact O-N 2.95Å; V564-T585 HydrophobicContact CG1-CG2 4.4Å; V564-T585 HydrophobicContact CG2-CG2 3.65Å
565	E	96.3	Very high	97.1	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-37.3	178.8	-72.6	-174.7	-156.6	0	0	112.4	I508 G509 T510 R561 S562 L568 N569	I508-E565 WeakPolarHBondContact CA-OE2 3.26Å; G509-E565 VanDerWaalsContact N-CD 3.29Å; G509-E565 PolarHBondContact N-OE1 3.41Å; G509-E565 PolarHBondContact N-OE2 3.5Å; T510-E565 WeakPolarHBondContact CG2-OE2 3.23Å; T510-E565 PolarHBondContact N-OE2 3.03Å; T510-E565 PolarHBondContact OG1-OE2 3.47Å; T510-E565 VanDerWaalsContact OG1-OE2 3.12Å; R561-E565 IonicContact CZ-OE1 3.68Å; R561-E565 IonicContact NE-OE1 3.61Å; R561-E565 PolarHBondContact NE-OE1 2.85Å; R561-E565 IonicContact NH2-OE1 3.72Å; R561-E565 PolarHBondContact O-N 3.3Å; S562-E565 PolarHBondContact O-N 3Å; E565-L568 PolarHBondContact O-N 2.9Å; E565-N569 PolarHBondContact O-N 3.21Å
566	K	96.9	Very high	97.1	Very high	138 Å²	138	45.8 Å²	45.8	60%	0.6	25%	0.252	S	S	*	.	H	α-helix	trans	-62.5	-42	171.1	-72.8	169.8	-175.5	169.8	0	112.4	S562 A563 V564 N569 L570	S562-K566 VanDerWaalsContact O-CG 3.3Å; S562-K566 WeakPolarHBondContact O-CG 3.46Å; S562-K566 PolarHBondContact O-N 3.34Å; A563-K566 PolarHBondContact O-N 2.89Å; V564-K566 VanDerWaalsContact C-N 3.3Å; V564-K566 PolarHBondContact O-N 3.25Å; K566-N569 PolarHBondContact O-N 3.36Å; K566-L570 WeakPolarHBondContact O-CG 3.37Å; K566-L570 PolarHBondContact O-N 3.07Å
567	Q	97.6	Very high	97.1	Very high	56 Å²	56	49 Å²	49	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.1	-72.5	-178	-2.6	0	0	111.9	A563 V564 N569 L570 I571 V581	A563-Q567 WeakPolarHBondContact O-CG 3.36Å; A563-Q567 PolarHBondContact O-N 3.13Å; V564-Q567 WeakPolarHBondContact O-CA 3.49Å; V564-Q567 WeakPolarHBondContact O-CB 3.28Å; V564-Q567 PolarHBondContact O-N 3.37Å; Q567-N569 VanDerWaalsContact C-N 3.31Å; Q567-N569 PolarHBondContact O-N 2.91Å; Q567-L570 WeakPolarHBondContact O-CB 3.48Å; Q567-L570 PolarHBondContact O-N 3.03Å; Q567-L570 VanDerWaalsContact O-N 3.13Å; Q567-I571 PolarHBondContact O-N 2.92Å; Q567-V581 HydrophobicContact CB-CG1 3.85Å; Q567-V581 HydrophobicContact CB-CG2 4.22Å
568	L	96.7	Very high	97.1	Very high	12 Å²	12	48 Å²	48	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-42	173.5	-65.3	174.4	0	0	0	111.2	S177 A180 R181 L184 V564 E565 L570 I571 A572	S177-L568 VanDerWaalsContact CB-O 3.3Å; S177-L568 WeakPolarHBondContact CB-O 3.3Å; A180-L568 HydrophobicContact CB-CD2 3.54Å; R181-L568 HydrophobicContact CB-CD1 3.88Å; R181-L568 HydrophobicContact CG-CD1 4.08Å; L184-L568 HydrophobicContact CD1-CD2 4.38Å; V564-L568 HydrophobicContact CG1-CD1 4.19Å; V564-L568 HydrophobicContact CG1-CG 4.34Å; V564-L568 WeakPolarHBondContact O-CG 3.44Å; V564-L568 PolarHBondContact O-N 2.95Å; E565-L568 PolarHBondContact O-N 2.9Å; L568-L570 VanDerWaalsContact C-N 3.31Å; L568-L570 PolarHBondContact O-N 3.26Å; L568-I571 HydrophobicContact CD2-CD1 4.16Å; L568-I571 WeakPolarHBondContact O-CB 3.48Å; L568-I571 PolarHBondContact O-N 3.43Å; L568-I571 VanDerWaalsContact O-N 3.14Å; L568-A572 PolarHBondContact O-N 3.03Å
569	N	95.3	Very high	97	Very high	60 Å²	60	54 Å²	54	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-32.8	175.1	-163	44.9	0	0	0	112.8	K120 E565 K566 Q567 I571 A572 Q573	K120-N569 PolarHBondContact NZ-OD1 3.28Å; K120-N569 VanDerWaalsContact NZ-OD1 3.09Å; E565-N569 PolarHBondContact O-N 3.21Å; K566-N569 PolarHBondContact O-N 3.36Å; Q567-N569 VanDerWaalsContact C-N 3.31Å; Q567-N569 PolarHBondContact O-N 2.91Å; N569-I571 VanDerWaalsContact C-N 3.34Å; N569-A572 WeakPolarHBondContact O-CB 3.19Å; N569-A572 PolarHBondContact O-N 2.69Å; N569-Q573 PolarHBondContact ND2-NE2 3.3Å; N569-Q573 WeakPolarHBondContact O-CG 3.43Å; N569-Q573 PolarHBondContact O-N 3.46Å
570	L	97.8	Very high	97	Very high	69 Å²	69	55.9 Å²	55.9	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-67.4	-33.8	172.2	-69.5	173.3	0	0	0	112.2	K566 Q567 L568 Q573 G574 K575 A576	K566-L570 WeakPolarHBondContact O-CG 3.37Å; K566-L570 PolarHBondContact O-N 3.07Å; Q567-L570 WeakPolarHBondContact O-CB 3.48Å; Q567-L570 PolarHBondContact O-N 3.03Å; Q567-L570 VanDerWaalsContact O-N 3.13Å; L568-L570 VanDerWaalsContact C-N 3.31Å; L568-L570 PolarHBondContact O-N 3.26Å; L570-Q573 PolarHBondContact O-N 2.96Å; L570-G574 PolarHBondContact O-N 3.26Å; L570-K575 HydrophobicContact CB-CB 4.38Å; L570-K575 HydrophobicContact CD2-CB 3.96Å; L570-K575 HydrophobicContact CD2-CD 4.13Å; L570-K575 WeakPolarHBondContact O-CA 3.37Å; L570-K575 PolarHBondContact O-N 2.82Å; L570-A576 HydrophobicContact CB-CB 3.63Å; L570-A576 PolarHBondContact O-N 3.47Å; L570-A576 VanDerWaalsContact O-N 3.13Å
571	I	97.9	Very high	97.1	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-50	170.1	-61.9	168	0	0	0	109.2	N173 L176 A180 Q567 L568 N569 Q573 G574 A576 V581	N173-I571 WeakPolarHBondContact CB-O 3.27Å; L176-I571 HydrophobicContact CB-CG2 4.13Å; A180-I571 HydrophobicContact CB-CD1 4.11Å; Q567-I571 PolarHBondContact O-N 2.92Å; L568-I571 HydrophobicContact CD2-CD1 4.16Å; L568-I571 WeakPolarHBondContact O-CB 3.48Å; L568-I571 PolarHBondContact O-N 3.43Å; L568-I571 VanDerWaalsContact O-N 3.14Å; N569-I571 VanDerWaalsContact C-N 3.34Å; I571-Q573 PolarHBondContact O-N 3.49Å; I571-G574 PolarHBondContact O-N 3.31Å; I571-A576 HydrophobicContact CG1-CB 4.24Å; I571-V581 HydrophobicContact CD1-CB 3.89Å; I571-V581 HydrophobicContact CD1-CG1 3.91Å; I571-V581 HydrophobicContact CD1-CG2 4.11Å; I571-V581 HydrophobicContact CG1-CB 4.43Å; I571-V581 HydrophobicContact CG1-CG2 4.11Å
572	A	95.9	Very high	97	Very high	6 Å²	6	55.2 Å²	55.2	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-55.3	-37.5	179.7	0	0	0	0	0	112.9	N173 E174 L568 N569 G574	N173-A572 WeakPolarHBondContact CB-O 3.26Å; E174-A572 HydrophobicContact CG-CB 3.92Å; L568-A572 PolarHBondContact O-N 3.03Å; N569-A572 WeakPolarHBondContact O-CB 3.19Å; N569-A572 PolarHBondContact O-N 2.69Å; A572-G574 VanDerWaalsContact C-N 3.29Å; A572-G574 PolarHBondContact O-N 2.99Å
573	Q	96.1	Very high	97	Very high	93 Å²	93	61.5 Å²	61.5	44%	0.435	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.4	176.8	-66.2	176.5	16.7	0	0	114.4	N569 L570 I571 K575	N569-Q573 PolarHBondContact ND2-NE2 3.3Å; N569-Q573 WeakPolarHBondContact O-CG 3.43Å; N569-Q573 PolarHBondContact O-N 3.46Å; L570-Q573 PolarHBondContact O-N 2.96Å; I571-Q573 PolarHBondContact O-N 3.49Å; Q573-K575 HydrophobicContact CB-CD 4.11Å; Q573-K575 HydrophobicContact CB-CG 4.07Å; Q573-K575 PolarHBondContact O-N 3.09Å
574	G	96.9	Very high	97	Very high	45 Å²	45	64.1 Å²	64.1	46%	0.464	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	17.8	-174.1	0	0	0	0	0	114.3	L570 I571 A572	L570-G574 PolarHBondContact O-N 3.26Å; I571-G574 PolarHBondContact O-N 3.31Å; A572-G574 VanDerWaalsContact C-N 3.29Å; A572-G574 PolarHBondContact O-N 2.99Å
575	K	98.1	Very high	97	Very high	147 Å²	147	63.9 Å²	63.9	64%	0.639	32%	0.318	S	S	*	.	S	Bend	trans	-98.6	-7.1	-178	-65.6	179.1	-173.7	163	0	113.7	L570 Q573	L570-K575 HydrophobicContact CB-CB 4.38Å; L570-K575 HydrophobicContact CD2-CB 3.96Å; L570-K575 HydrophobicContact CD2-CD 4.13Å; L570-K575 WeakPolarHBondContact O-CA 3.37Å; L570-K575 PolarHBondContact O-N 2.82Å; Q573-K575 HydrophobicContact CB-CD 4.11Å; Q573-K575 HydrophobicContact CB-CG 4.07Å; Q573-K575 PolarHBondContact O-N 3.09Å
576	A	97.8	Very high	97.1	Very high	30 Å²	30	64.1 Å²	64.1	25%	0.248	32%	0.32	C	S	.	.	S	Bend	trans	-137.7	148.6	173.8	0	0	0	0	0	110.7	L570 I571 V581	L570-A576 HydrophobicContact CB-CB 3.63Å; L570-A576 PolarHBondContact O-N 3.47Å; L570-A576 VanDerWaalsContact O-N 3.13Å; I571-A576 HydrophobicContact CG1-CB 4.24Å; A576-V581 HydrophobicContact CB-CG2 4.03Å
577	N	98	Very high	97.1	Very high	77 Å²	77	60.9 Å²	60.9	41%	0.412	31%	0.307	S	S	.	.			trans	-83.9	129.8	178.7	179.5	-81.9	0	0	0	111.3	Q579 Q580 V581	N577-Q579 PolarHBondContact O-N 2.87Å; N577-Q579 PolarHBondContact OD1-N 3.11Å; N577-Q580 HydrophobicContact CB-CB 4.14Å; N577-Q580 HydrophobicContact CB-CG 4.06Å; N577-Q580 PolarHBondContact O-N 2.73Å; N577-Q580 PolarHBondContact OD1-N 3.04Å; N577-Q580 VanDerWaalsContact OD1-N 3.11Å; N577-V581 WeakPolarHBondContact O-CG2 3.33Å; N577-V581 PolarHBondContact O-N 3.15Å; N577-V581 VanDerWaalsContact O-N 3.12Å
578	Y	96.8	Very high	97.1	Very high	47 Å²	47	61 Å²	61	18%	0.184	31%	0.309	C	S	.	.	H	α-helix	trans	-50.1	-53.7	178.3	166.8	-101.2	0	0	0	113.9	L176 D179 A180 E183 Q580 V581 L582	L176-Y578 HydrophobicContact CB-CD2 4.03Å; L176-Y578 HydrophobicContact CB-CG 4.37Å; L176-Y578 HydrophobicContact CD2-CD1 4.4Å; L176-Y578 HydrophobicContact CD2-CD2 4.22Å; L176-Y578 HydrophobicContact CD2-CE2 4.46Å; L176-Y578 HydrophobicContact CD2-CG 4.2Å; L176-Y578 VanDerWaalsContact O-CD2 3.29Å; L176-Y578 WeakPolarHBondContact O-CD2 3.22Å; L176-Y578 WeakPolarHBondContact O-CE2 3.31Å; D179-Y578 HydrophobicContact CB-CE2 4.19Å; A180-Y578 HydrophobicContact CB-CD2 3.8Å; A180-Y578 HydrophobicContact CB-CE2 3.62Å; E183-Y578 PolarHBondContact OE2-OH 2.99Å; Y578-Q580 PolarHBondContact O-N 2.61Å; Y578-V581 PolarHBondContact O-N 3.03Å; Y578-L582 HydrophobicContact CE1-CD2 4.43Å; Y578-L582 WeakPolarHBondContact O-CB 3.31Å; Y578-L582 PolarHBondContact O-N 2.9Å; Y578-L582 VanDerWaalsContact O-N 3.09Å
579	Q	96.7	Very high	97.1	Very high	139 Å²	139	61 Å²	61	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-67.9	-38.6	-174.3	-64.7	-177.3	-27.1	0	0	111.7	N577 Q583	N577-Q579 PolarHBondContact O-N 2.87Å; N577-Q579 PolarHBondContact OD1-N 3.11Å; Q579-Q583 VanDerWaalsContact O-CB 3.3Å; Q579-Q583 WeakPolarHBondContact O-CB 3.39Å; Q579-Q583 PolarHBondContact O-N 3.39Å
580	Q	97.4	Very high	97.3	Very high	133 Å²	133	60.8 Å²	60.8	62%	0.621	31%	0.305	S	S	*	.	H	α-helix	trans	-65.2	-45.9	179	-69.2	179.1	-24.7	0	0	111.8	N577 Y578 H584	N577-Q580 HydrophobicContact CB-CB 4.14Å; N577-Q580 HydrophobicContact CB-CG 4.06Å; N577-Q580 PolarHBondContact O-N 2.73Å; N577-Q580 PolarHBondContact OD1-N 3.04Å; N577-Q580 VanDerWaalsContact OD1-N 3.11Å; Y578-Q580 PolarHBondContact O-N 2.61Å; Q580-H584 WeakPolarHBondContact O-CB 3.14Å; Q580-H584 PolarHBondContact O-N 2.88Å
581	V	97.6	Very high	97.3	Very high	10 Å²	10	65.5 Å²	65.5	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177.8	170	0	0	0	0	110.9	Q567 I571 A576 N577 Y578 T585	Q567-V581 HydrophobicContact CB-CG1 3.85Å; Q567-V581 HydrophobicContact CB-CG2 4.22Å; I571-V581 HydrophobicContact CD1-CB 3.89Å; I571-V581 HydrophobicContact CD1-CG1 3.91Å; I571-V581 HydrophobicContact CD1-CG2 4.11Å; I571-V581 HydrophobicContact CG1-CB 4.43Å; I571-V581 HydrophobicContact CG1-CG2 4.11Å; A576-V581 HydrophobicContact CB-CG2 4.03Å; N577-V581 WeakPolarHBondContact O-CG2 3.33Å; N577-V581 PolarHBondContact O-N 3.15Å; N577-V581 VanDerWaalsContact O-N 3.12Å; Y578-V581 PolarHBondContact O-N 3.03Å; V581-T585 WeakPolarHBondContact O-CB 3.49Å; V581-T585 PolarHBondContact O-N 2.97Å; V581-T585 PolarHBondContact O-OG1 3.43Å
582	L	96.1	Very high	97.3	Very high	17 Å²	17	66.7 Å²	66.7	9%	0.089	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-52.5	177.9	-176.9	68.2	0	0	0	111.2	E183 L184 Y578 H584 T585 L586	E183-L582 HydrophobicContact CB-CD1 4.09Å; E183-L582 HydrophobicContact CG-CD1 4.02Å; L184-L582 HydrophobicContact CD2-CD1 3.72Å; L184-L582 HydrophobicContact CG-CD1 3.83Å; Y578-L582 HydrophobicContact CE1-CD2 4.43Å; Y578-L582 WeakPolarHBondContact O-CB 3.31Å; Y578-L582 PolarHBondContact O-N 2.9Å; Y578-L582 VanDerWaalsContact O-N 3.09Å; L582-H584 PolarHBondContact O-N 2.81Å; L582-T585 PolarHBondContact O-N 2.94Å; L582-L586 HydrophobicContact CD1-CD1 3.93Å; L582-L586 HydrophobicContact CD1-CG 4.36Å; L582-L586 HydrophobicContact CG-CD1 3.9Å; L582-L586 WeakPolarHBondContact O-CB 3.32Å; L582-L586 VanDerWaalsContact O-CG 3.27Å; L582-L586 WeakPolarHBondContact O-CG 3.45Å; L582-L586 PolarHBondContact O-N 2.76Å
583	Q	96.5	Very high	97.4	Very high	145 Å²	145	66.6 Å²	66.6	68%	0.678	32%	0.321	S	S	*	.	H	α-helix	trans	-62.3	-45.3	-179	-175.2	179.1	9.6	0	0	112	Q579 E587	Q579-Q583 VanDerWaalsContact O-CB 3.3Å; Q579-Q583 WeakPolarHBondContact O-CB 3.39Å; Q579-Q583 PolarHBondContact O-N 3.39Å; Q583-E587 WeakPolarHBondContact O-CB 3.49Å; Q583-E587 PolarHBondContact O-N 3.24Å
584	H	97.3	Very high	97.5	Very high	103 Å²	103	66 Å²	66	48%	0.477	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-48.2	179.3	177.4	69.2	0	0	0	111.6	Q580 L582 E587 I588	Q580-H584 WeakPolarHBondContact O-CB 3.14Å; Q580-H584 PolarHBondContact O-N 2.88Å; L582-H584 PolarHBondContact O-N 2.81Å; H584-E587 PolarHBondContact O-N 3.01Å; H584-I588 WeakPolarHBondContact NE2-CD1 3.4Å; H584-I588 WeakPolarHBondContact O-CG1 3.49Å; H584-I588 PolarHBondContact O-N 2.79Å; H584-I588 VanDerWaalsContact O-N 3.14Å
585	T	97.4	Very high	97.6	Very high	4 Å²	4	69.7 Å²	69.7	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-44.6	-178.8	-54.8	0	0	0	0	111.4	L184 V564 V581 L582 E587 I588 F589	L184-T585 HydrophobicContact CD1-CG2 4.03Å; L184-T585 HydrophobicContact CD2-CG2 3.67Å; L184-T585 HydrophobicContact CG-CG2 4.47Å; V564-T585 HydrophobicContact CG1-CG2 4.4Å; V564-T585 HydrophobicContact CG2-CG2 3.65Å; V581-T585 WeakPolarHBondContact O-CB 3.49Å; V581-T585 PolarHBondContact O-N 2.97Å; V581-T585 PolarHBondContact O-OG1 3.43Å; L582-T585 PolarHBondContact O-N 2.94Å; T585-E587 VanDerWaalsContact C-N 3.32Å; T585-E587 PolarHBondContact O-N 2.92Å; T585-I588 PolarHBondContact O-N 3.22Å; T585-F589 HydrophobicContact CG2-CD2 3.85Å; T585-F589 HydrophobicContact CG2-CE2 3.99Å; T585-F589 WeakPolarHBondContact O-CD2 3.29Å; T585-F589 PolarHBondContact O-N 3.38Å
586	L	97.7	Very high	97.5	Very high	13 Å²	13	62.7 Å²	62.7	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-37.6	177.7	-71.6	173.5	0	0	0	112.4	F82 L184 R187 I188 L582 F589 K590	F82-L586 HydrophobicContact CD1-CD2 4.21Å; L184-L586 HydrophobicContact CD2-CD2 3.86Å; L184-L586 HydrophobicContact CD2-CG 3.81Å; R187-L586 HydrophobicContact CB-CD2 3.81Å; R187-L586 HydrophobicContact CG-CD2 4.38Å; I188-L586 HydrophobicContact CG1-CD2 4.36Å; L582-L586 HydrophobicContact CD1-CD1 3.93Å; L582-L586 HydrophobicContact CD1-CG 4.36Å; L582-L586 HydrophobicContact CG-CD1 3.9Å; L582-L586 WeakPolarHBondContact O-CB 3.32Å; L582-L586 VanDerWaalsContact O-CG 3.27Å; L582-L586 WeakPolarHBondContact O-CG 3.45Å; L582-L586 PolarHBondContact O-N 2.76Å; L586-F589 PolarHBondContact O-N 2.67Å; L586-K590 WeakPolarHBondContact O-CB 3.46Å; L586-K590 PolarHBondContact O-N 2.86Å
587	E	97.5	Very high	97.5	Very high	70 Å²	70	63.2 Å²	63.2	33%	0.327	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-40.9	176.9	-179.1	59.2	-158.4	0	0	111.9	Q583 H584 T585 K590 R591	Q583-E587 WeakPolarHBondContact O-CB 3.49Å; Q583-E587 PolarHBondContact O-N 3.24Å; H584-E587 PolarHBondContact O-N 3.01Å; T585-E587 VanDerWaalsContact C-N 3.32Å; T585-E587 PolarHBondContact O-N 2.92Å; E587-K590 PolarHBondContact O-N 3.46Å; E587-R591 WeakPolarHBondContact O-CG 3.33Å; E587-R591 PolarHBondContact O-N 3.21Å; E587-R591 VanDerWaalsContact O-N 3.1Å; E587-R591 IonicContact OE1-CZ 3.04Å; E587-R591 IonicContact OE1-NE 2.75Å; E587-R591 PolarHBondContact OE1-NE 2.92Å; E587-R591 IonicContact OE1-NH2 3.18Å; E587-R591 PolarHBondContact OE1-NH2 2.78Å
588	I	97.4	Very high	97.5	Very high	59 Å²	59	65.9 Å²	65.9	30%	0.303	30%	0.303	S	S	.	.	H	α-helix	trans	-59.2	-53.5	173.5	-69.5	168.4	0	0	0	110.2	H584 T585 K590 R591 K592	H584-I588 WeakPolarHBondContact NE2-CD1 3.4Å; H584-I588 WeakPolarHBondContact O-CG1 3.49Å; H584-I588 PolarHBondContact O-N 2.79Å; H584-I588 VanDerWaalsContact O-N 3.14Å; T585-I588 PolarHBondContact O-N 3.22Å; I588-K590 VanDerWaalsContact C-N 3.3Å; I588-K590 PolarHBondContact O-N 2.94Å; I588-R591 PolarHBondContact O-N 3.38Å; I588-K592 HydrophobicContact CG2-CD 4.37Å; I588-K592 WeakPolarHBondContact O-CG 3.37Å; I588-K592 PolarHBondContact O-N 3.09Å
589	F	97.9	Very high	97.4	Very high	12 Å²	12	64.8 Å²	64.8	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-28.7	-177.5	-85.4	-83.5	0	0	0	113.2	F82 I188 F192 P216 L555 I560 T585 L586 K592 F593	F82-F589 HydrophobicContact CE1-CB 3.89Å; I188-F589 HydrophobicContact CD1-CB 4.04Å; I188-F589 HydrophobicContact CD1-CD1 4.11Å; I188-F589 HydrophobicContact CD1-CD2 3.46Å; I188-F589 VanDerWaalsContact CD1-CD2 3.46Å; I188-F589 HydrophobicContact CD1-CE1 4.44Å; I188-F589 HydrophobicContact CD1-CE2 3.85Å; I188-F589 HydrophobicContact CD1-CG 3.59Å; I188-F589 HydrophobicContact CD1-CZ 4.32Å; I188-F589 HydrophobicContact CG1-CB 3.91Å; I188-F589 HydrophobicContact CG1-CD1 4.33Å; I188-F589 HydrophobicContact CG1-CD2 4.28Å; I188-F589 HydrophobicContact CG1-CG 3.92Å; I188-F589 HydrophobicContact CG2-CB 4.46Å; I188-F589 HydrophobicContact CG2-CD1 3.63Å; I188-F589 HydrophobicContact CG2-CE1 4.03Å; I188-F589 HydrophobicContact CG2-CG 4.1Å; F192-F589 HydrophobicContact CE2-CD1 4.36Å; P216-F589 HydrophobicContact CB-CZ 4.44Å; L555-F589 HydrophobicContact CD2-CE1 4.45Å; I560-F589 HydrophobicContact CG2-CE2 3.69Å; I560-F589 HydrophobicContact CG2-CZ 3.61Å; T585-F589 HydrophobicContact CG2-CD2 3.85Å; T585-F589 HydrophobicContact CG2-CE2 3.99Å; T585-F589 WeakPolarHBondContact O-CD2 3.29Å; T585-F589 PolarHBondContact O-N 3.38Å; L586-F589 PolarHBondContact O-N 2.67Å; F589-K592 PolarHBondContact O-N 3.36Å; F589-F593 VanDerWaalsContact O-CB 3.23Å; F589-F593 WeakPolarHBondContact O-CB 3.46Å; F589-F593 PolarHBondContact O-N 3.43Å
590	K	98.1	Very high	97.3	Very high	56 Å²	56	58.8 Å²	58.8	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-43.5	172.9	-178.2	-178.6	-179.7	-177.8	0	111.7	F82 S83 L586 E587 I588 F593 H594	F82-K590 HydrophobicContact CB-CB 4.14Å; F82-K590 HydrophobicContact CB-CD 4.11Å; F82-K590 HydrophobicContact CB-CG 4.16Å; F82-K590 HydrophobicContact CD1-CB 3.98Å; F82-K590 HydrophobicContact CD2-CB 4.27Å; F82-K590 HydrophobicContact CD2-CG 4.24Å; F82-K590 HydrophobicContact CE1-CB 4.48Å; F82-K590 HydrophobicContact CG-CB 3.87Å; F82-K590 HydrophobicContact CG-CG 4.13Å; S83-K590 PolarHBondContact OG-NZ 2.62Å; L586-K590 WeakPolarHBondContact O-CB 3.46Å; L586-K590 PolarHBondContact O-N 2.86Å; E587-K590 PolarHBondContact O-N 3.46Å; I588-K590 VanDerWaalsContact C-N 3.3Å; I588-K590 PolarHBondContact O-N 2.94Å; K590-F593 WeakPolarHBondContact O-CB 3.4Å; K590-F593 PolarHBondContact O-N 3.09Å; K590-H594 PolarHBondContact O-CD2 3.25Å; K590-H594 PolarHBondContact O-N 3.3Å
591	R	98.1	Very high	96.9	Very high	168 Å²	168	56.3 Å²	56.3	63%	0.634	27%	0.268	S	S	*	.	H	α-helix	trans	-63	-45.6	174.6	-69.2	174.8	-169.9	-170.7	2.3	111.3	E587 I588 F593 H594 Y595	E587-R591 WeakPolarHBondContact O-CG 3.33Å; E587-R591 PolarHBondContact O-N 3.21Å; E587-R591 VanDerWaalsContact O-N 3.1Å; E587-R591 IonicContact OE1-CZ 3.04Å; E587-R591 IonicContact OE1-NE 2.75Å; E587-R591 PolarHBondContact OE1-NE 2.92Å; E587-R591 IonicContact OE1-NH2 3.18Å; E587-R591 PolarHBondContact OE1-NH2 2.78Å; I588-R591 PolarHBondContact O-N 3.38Å; R591-F593 VanDerWaalsContact C-N 3.29Å; R591-F593 PolarHBondContact O-N 3.32Å; R591-H594 PolarHBondContact O-N 3.28Å; R591-Y595 PolarHBondContact O-N 3.12Å
592	K	98	Very high	96.3	Very high	27 Å²	27	57 Å²	57	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-38.9	174.3	-70.2	-172.9	172.1	-62.6	0	112.2	D552 E554 L555 I588 F589 Y595 F596	D552-K592 IonicContact OD1-NZ 3.57Å; D552-K592 PolarHBondContact OD1-NZ 3.44Å; D552-K592 WeakPolarHBondContact OD2-CD 3.37Å; D552-K592 IonicContact OD2-NZ 3.52Å; D552-K592 PolarHBondContact OD2-NZ 3.24Å; E554-K592 WeakPolarHBondContact OE2-CE 3.32Å; E554-K592 IonicContact OE2-NZ 3.66Å; E554-K592 PolarHBondContact OE2-NZ 2.94Å; L555-K592 HydrophobicContact CD2-CB 4.42Å; L555-K592 HydrophobicContact CD2-CD 4.17Å; I588-K592 HydrophobicContact CG2-CD 4.37Å; I588-K592 WeakPolarHBondContact O-CG 3.37Å; I588-K592 PolarHBondContact O-N 3.09Å; F589-K592 PolarHBondContact O-N 3.36Å; K592-Y595 PolarHBondContact O-N 2.91Å; K592-F596 VanDerWaalsContact O-CB 3.25Å; K592-F596 WeakPolarHBondContact O-CB 3.39Å; K592-F596 PolarHBondContact O-N 3.38Å
593	F	98.3	Very high	96	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-47.8	176.1	177.4	-96.3	0	0	0	111.8	P78 A79 F82 A191 F192 F195 F589 K590 R591 Y595 F596 V597	P78-F593 HydrophobicContact CB-CZ 3.93Å; A79-F593 HydrophobicContact CB-CD1 4.38Å; A79-F593 HydrophobicContact CB-CE1 3.9Å; F82-F593 HydrophobicContact CE2-CB 3.64Å; F82-F593 AromaticContact CE2-CD1 3.77Å; F82-F593 HydrophobicContact CE2-CD1 3.77Å; F82-F593 HydrophobicContact CE2-CD2 4.05Å; F82-F593 HydrophobicContact CE2-CE1 4.48Å; F82-F593 AromaticContact CE2-CG 3.52Å; F82-F593 HydrophobicContact CE2-CG 3.52Å; F82-F593 HydrophobicContact CZ-CB 3.65Å; F82-F593 HydrophobicContact CZ-CD2 4.27Å; F82-F593 AromaticContact CZ-CG 3.92Å; F82-F593 HydrophobicContact CZ-CG 3.92Å; A191-F593 HydrophobicContact CB-CD2 4.35Å; A191-F593 HydrophobicContact CB-CE2 4.28Å; A191-F593 WeakPolarHBondContact O-CE2 3.49Å; F192-F593 HydrophobicContact CD1-CD2 4.07Å; F192-F593 AromaticContact CD2-CD2 3.87Å; F192-F593 HydrophobicContact CD2-CD2 3.87Å; F192-F593 HydrophobicContact CE1-CB 4.46Å; F192-F593 HydrophobicContact CE1-CD2 4.1Å; F192-F593 HydrophobicContact CE2-CB 3.82Å; F192-F593 AromaticContact CE2-CD2 3.91Å; F192-F593 HydrophobicContact CE2-CD2 3.91Å; F192-F593 HydrophobicContact CE2-CG 4.36Å; F192-F593 AromaticContact CG-CD2 3.96Å; F192-F593 HydrophobicContact CG-CD2 3.96Å; F192-F593 HydrophobicContact CZ-CB 3.75Å; F192-F593 HydrophobicContact CZ-CD2 4.03Å; F192-F593 HydrophobicContact CZ-CG 4.41Å; F195-F593 HydrophobicContact CB-CE2 3.86Å; F195-F593 HydrophobicContact CB-CZ 3.9Å; F195-F593 HydrophobicContact CD2-CZ 4.4Å; F195-F593 HydrophobicContact CG-CE2 4.23Å; F195-F593 HydrophobicContact CG-CZ 4.13Å; F589-F593 VanDerWaalsContact O-CB 3.23Å; F589-F593 WeakPolarHBondContact O-CB 3.46Å; F589-F593 PolarHBondContact O-N 3.43Å; K590-F593 WeakPolarHBondContact O-CB 3.4Å; K590-F593 PolarHBondContact O-N 3.09Å; R591-F593 VanDerWaalsContact C-N 3.29Å; R591-F593 PolarHBondContact O-N 3.32Å; F593-Y595 VanDerWaalsContact C-N 3.35Å; F593-Y595 PolarHBondContact O-N 3.11Å; F593-F596 WeakPolarHBondContact O-CB 3.41Å; F593-F596 PolarHBondContact O-N 2.9Å; F593-V597 HydrophobicContact CD1-CG2 4.17Å; F593-V597 HydrophobicContact CE1-CG2 3.69Å; F593-V597 HydrophobicContact CE2-CG2 4.08Å; F593-V597 HydrophobicContact CZ-CG2 3.63Å; F593-V597 VanDerWaalsContact O-CG2 3.31Å; F593-V597 WeakPolarHBondContact O-CG2 3.38Å; F593-V597 PolarHBondContact O-N 3.32Å
594	H	98.1	Very high	95.6	Very high	82 Å²	82	50.5 Å²	50.5	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-47.2	175.9	-75.8	-59.2	0	0	0	111.8	K590 R591 F596 V597 D598	K590-H594 PolarHBondContact O-CD2 3.25Å; K590-H594 PolarHBondContact O-N 3.3Å; R591-H594 PolarHBondContact O-N 3.28Å; H594-F596 VanDerWaalsContact C-N 3.31Å; H594-F596 PolarHBondContact O-N 2.98Å; H594-V597 PolarHBondContact O-N 2.92Å; H594-D598 PolarHBondContact O-N 2.79Å
595	Y	97.9	Very high	95.1	Very high	121 Å²	121	50.4 Å²	50.4	48%	0.475	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-38.5	176.1	178.8	-103.9	0	0	0	112.9	T551 D552 R591 K592 F593 D598 S599	T551-Y595 HydrophobicContact CG2-CD1 4.33Å; T551-Y595 HydrophobicContact CG2-CE1 4.12Å; T551-Y595 VanDerWaalsContact O-CE1 3.29Å; T551-Y595 WeakPolarHBondContact O-CE1 3.35Å; D552-Y595 HydrophobicContact CB-CD1 4.49Å; D552-Y595 HydrophobicContact CB-CE1 4.39Å; R591-Y595 PolarHBondContact O-N 3.12Å; K592-Y595 PolarHBondContact O-N 2.91Å; F593-Y595 VanDerWaalsContact C-N 3.35Å; F593-Y595 PolarHBondContact O-N 3.11Å; Y595-D598 PolarHBondContact O-N 3.44Å; Y595-S599 VanDerWaalsContact O-CB 3.27Å; Y595-S599 WeakPolarHBondContact O-CB 3.44Å; Y595-S599 PolarHBondContact O-N 3.19Å; Y595-S599 PolarHBondContact O-OG 3.09Å
596	F	97.8	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-42.4	174.8	174.4	-98.1	0	0	0	112.2	F192 F195 Q196 Y548 T551 L555 K592 F593 H594 S599 I600 M603	F192-F596 AromaticContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CD1 3.93Å; F192-F596 HydrophobicContact CD1-CE1 4.24Å; F192-F596 HydrophobicContact CD1-CG 4.25Å; F192-F596 HydrophobicContact CE1-CB 3.92Å; F192-F596 AromaticContact CE1-CD1 3.94Å; F192-F596 HydrophobicContact CE1-CD1 3.94Å; F192-F596 HydrophobicContact CE1-CD2 4.48Å; F192-F596 AromaticContact CE1-CG 3.85Å; F192-F596 HydrophobicContact CE1-CG 3.85Å; F195-F596 HydrophobicContact CD1-CD1 4.24Å; F195-F596 AromaticContact CD1-CE1 3.82Å; F195-F596 HydrophobicContact CD1-CE1 3.82Å; F195-F596 HydrophobicContact CE1-CD1 4.22Å; F195-F596 AromaticContact CE1-CE1 3.87Å; F195-F596 HydrophobicContact CE1-CE1 3.87Å; Q196-F596 HydrophobicContact CG-CE1 3.85Å; Q196-F596 HydrophobicContact CG-CZ 3.96Å; Y548-F596 HydrophobicContact CD1-CD2 4.26Å; Y548-F596 AromaticContact CD1-CE2 3.57Å; Y548-F596 HydrophobicContact CD1-CE2 3.57Å; Y548-F596 HydrophobicContact CD1-CZ 4.17Å; Y548-F596 AromaticContact CE1-CE2 3.63Å; Y548-F596 HydrophobicContact CE1-CE2 3.63Å; Y548-F596 AromaticContact CE1-CZ 3.73Å; Y548-F596 HydrophobicContact CE1-CZ 3.73Å; T551-F596 HydrophobicContact CG2-CB 4.44Å; T551-F596 HydrophobicContact CG2-CD2 3.9Å; L555-F596 HydrophobicContact CD1-CD2 4.22Å; K592-F596 VanDerWaalsContact O-CB 3.25Å; K592-F596 WeakPolarHBondContact O-CB 3.39Å; K592-F596 PolarHBondContact O-N 3.38Å; F593-F596 WeakPolarHBondContact O-CB 3.41Å; F593-F596 PolarHBondContact O-N 2.9Å; H594-F596 VanDerWaalsContact C-N 3.31Å; H594-F596 PolarHBondContact O-N 2.98Å; F596-S599 CarbonylContact O-C 3.5Å; F596-S599 PolarHBondContact O-N 2.81Å; F596-I600 HydrophobicContact CE1-CD1 3.91Å; F596-I600 HydrophobicContact CE2-CD1 4.48Å; F596-I600 HydrophobicContact CZ-CD1 3.75Å; F596-I600 WeakPolarHBondContact O-CA 3.46Å; F596-I600 PolarHBondContact O-N 3.13Å; F596-M603 HydrophobicContact CE2-CE 4.44Å; F596-M603 HydrophobicContact CE2-SD 4.37Å; F596-M603 HydrophobicContact CZ-SD 4.07Å
597	V	97.4	Very high	93.8	Very high	41 Å²	41	52 Å²	52	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-45.4	176	171.6	0	0	0	0	110.8	F195 F593 H594 S599 I600	F195-V597 HydrophobicContact CD1-CG2 4.14Å; F195-V597 HydrophobicContact CD2-CG2 3.94Å; F195-V597 HydrophobicContact CE1-CG2 3.91Å; F195-V597 HydrophobicContact CE2-CB 4.27Å; F195-V597 HydrophobicContact CE2-CG1 3.77Å; F195-V597 HydrophobicContact CE2-CG2 3.72Å; F195-V597 HydrophobicContact CG-CG2 4.15Å; F195-V597 HydrophobicContact CZ-CB 4.04Å; F195-V597 HydrophobicContact CZ-CG1 3.8Å; F195-V597 HydrophobicContact CZ-CG2 3.71Å; F593-V597 HydrophobicContact CD1-CG2 4.17Å; F593-V597 HydrophobicContact CE1-CG2 3.69Å; F593-V597 HydrophobicContact CE2-CG2 4.08Å; F593-V597 HydrophobicContact CZ-CG2 3.63Å; F593-V597 VanDerWaalsContact O-CG2 3.31Å; F593-V597 WeakPolarHBondContact O-CG2 3.38Å; F593-V597 PolarHBondContact O-N 3.32Å; H594-V597 PolarHBondContact O-N 2.92Å; V597-S599 PolarHBondContact O-N 2.93Å; V597-I600 WeakPolarHBondContact O-CB 3.25Å; V597-I600 VanDerWaalsContact O-CG2 3.25Å; V597-I600 WeakPolarHBondContact O-CG2 3.21Å; V597-I600 PolarHBondContact O-N 3.12Å
598	D	96.8	Very high	93	Very high	133 Å²	133	53.7 Å²	53.7	71%	0.711	26%	0.26	S	S	*	.	H	α-helix	trans	-64.2	-32.1	178.6	-68.5	-20.9	0	0	0	112	H594 Y595	H594-D598 PolarHBondContact O-N 2.79Å; Y595-D598 PolarHBondContact O-N 3.44Å
599	S	95.3	Very high	92.1	Very high	24 Å²	24	56 Å²	56	17%	0.168	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	14.8	-178.2	-54.3	0	0	0	0	113.8	Y595 F596 V597 T601 S602	Y595-S599 VanDerWaalsContact O-CB 3.27Å; Y595-S599 WeakPolarHBondContact O-CB 3.44Å; Y595-S599 PolarHBondContact O-N 3.19Å; Y595-S599 PolarHBondContact O-OG 3.09Å; F596-S599 CarbonylContact O-C 3.5Å; F596-S599 PolarHBondContact O-N 2.81Å; V597-S599 PolarHBondContact O-N 2.93Å; S599-T601 PolarHBondContact O-N 2.87Å; S599-S602 PolarHBondContact O-N 3.41Å; S599-S602 VanDerWaalsContact O-N 3.08Å
600	I	94.1	Very high	91.1	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.067	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25	-173.1	-169.4	54	0	0	0	113.3	F195 Y199 F200 F596 V597 S602 M603 D604	F195-I600 HydrophobicContact CE1-CB 4.34Å; F195-I600 HydrophobicContact CE1-CD1 3.76Å; F195-I600 HydrophobicContact CE1-CG1 3.85Å; F195-I600 HydrophobicContact CZ-CB 4.32Å; F195-I600 HydrophobicContact CZ-CD1 4.49Å; F195-I600 HydrophobicContact CZ-CG1 4.08Å; Y199-I600 HydrophobicContact CD1-CG1 3.97Å; Y199-I600 HydrophobicContact CD2-CG1 4.22Å; Y199-I600 HydrophobicContact CE1-CG1 3.75Å; Y199-I600 HydrophobicContact CE2-CG1 4Å; Y199-I600 HydrophobicContact CE2-CG2 3.84Å; Y199-I600 HydrophobicContact CG-CG1 4.22Å; F200-I600 HydrophobicContact CZ-CD1 4.44Å; F596-I600 HydrophobicContact CE1-CD1 3.91Å; F596-I600 HydrophobicContact CE2-CD1 4.48Å; F596-I600 HydrophobicContact CZ-CD1 3.75Å; F596-I600 WeakPolarHBondContact O-CA 3.46Å; F596-I600 PolarHBondContact O-N 3.13Å; V597-I600 WeakPolarHBondContact O-CB 3.25Å; V597-I600 VanDerWaalsContact O-CG2 3.25Å; V597-I600 WeakPolarHBondContact O-CG2 3.21Å; V597-I600 PolarHBondContact O-N 3.12Å; I600-S602 PolarHBondContact O-N 2.94Å; I600-M603 HydrophobicContact CD1-CB 4.31Å; I600-M603 PolarHBondContact O-N 2.9Å; I600-M603 VanDerWaalsContact O-N 3.09Å; I600-D604 PolarHBondContact O-N 3.46Å
601	T	88.9	Confident	90	Very high	81 Å²	81	55.8 Å²	55.8	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-55.5	-34.5	176.4	52	0	0	0	0	112.6	S599 M603 D604 E605	S599-T601 PolarHBondContact O-N 2.87Å; T601-M603 VanDerWaalsContact C-N 3.31Å; T601-M603 PolarHBondContact O-N 2.96Å; T601-D604 WeakPolarHBondContact O-CB 3.48Å; T601-D604 PolarHBondContact O-N 2.85Å; T601-E605 VanDerWaalsContact O-CG 3.31Å; T601-E605 WeakPolarHBondContact O-CG 3.47Å; T601-E605 PolarHBondContact O-N 3.5Å
602	S	86.3	Confident	88.3	Confident	26 Å²	26	49 Å²	49	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-38	178.1	-70.9	0	0	0	0	112.9	S599 I600	S599-S602 PolarHBondContact O-N 3.41Å; S599-S602 VanDerWaalsContact O-N 3.08Å; I600-S602 PolarHBondContact O-N 2.94Å
603	M	90	Very high	86.1	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-79.3	-36.8	174.7	178.9	165.3	-81.9	0	0	111.2	Q196 F200 L544 Y548 F596 I600 T601 E605 L606 M607	Q196-M603 PolarHBondContact OE1-SD 3.31Å; F200-M603 HydrophobicContact CE2-CG 4.33Å; F200-M603 HydrophobicContact CE2-SD 4.23Å; F200-M603 HydrophobicContact CZ-CG 3.98Å; F200-M603 HydrophobicContact CZ-SD 4.47Å; L544-M603 HydrophobicContact CD2-CE 4.23Å; L544-M603 HydrophobicContact CD2-SD 4.26Å; L544-M603 VanDerWaalsContact O-CE 3.22Å; L544-M603 WeakPolarHBondContact O-CE 3.39Å; Y548-M603 HydrophobicContact CD1-CE 3.6Å; Y548-M603 HydrophobicContact CD2-CE 4.21Å; Y548-M603 HydrophobicContact CE1-CE 3.61Å; Y548-M603 HydrophobicContact CE1-SD 4.27Å; Y548-M603 HydrophobicContact CE2-CE 4.26Å; Y548-M603 HydrophobicContact CG-CE 3.87Å; F596-M603 HydrophobicContact CE2-CE 4.44Å; F596-M603 HydrophobicContact CE2-SD 4.37Å; F596-M603 HydrophobicContact CZ-SD 4.07Å; I600-M603 HydrophobicContact CD1-CB 4.31Å; I600-M603 PolarHBondContact O-N 2.9Å; I600-M603 VanDerWaalsContact O-N 3.09Å; T601-M603 VanDerWaalsContact C-N 3.31Å; T601-M603 PolarHBondContact O-N 2.96Å; M603-E605 PolarHBondContact O-N 3.43Å; M603-L606 PolarHBondContact O-N 3.18Å; M603-M607 HydrophobicContact CG-CE 4.37Å; M603-M607 HydrophobicContact CG-CG 4.19Å; M603-M607 WeakPolarHBondContact O-CG 3.3Å; M603-M607 PolarHBondContact O-N 3.41Å; M603-M607 HydrophobicContact SD-CE 4.4Å
604	D	88.3	Confident	83.9	Confident	24 Å²	24	52.2 Å²	52.2	13%	0.128	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-43.7	177.8	-161.2	49.9	0	0	0	112.6	Y199 F200 K203 Y204 I600 T601 L606 M607 E608	Y199-D604 HydrophobicContact CE1-CB 4.25Å; Y199-D604 WeakPolarHBondContact CE1-OD1 3.44Å; F200-D604 WeakPolarHBondContact CE1-OD1 3.43Å; K203-D604 VanDerWaalsContact CE-OD1 3.32Å; K203-D604 WeakPolarHBondContact CE-OD1 3.4Å; K203-D604 IonicContact NZ-OD1 2.71Å; K203-D604 PolarHBondContact NZ-OD1 2.9Å; K203-D604 IonicContact NZ-OD2 2.67Å; K203-D604 PolarHBondContact NZ-OD2 2.97Å; Y204-D604 PolarHBondContact OH-O 2.93Å; Y204-D604 PolarHBondContact OH-OD1 2.82Å; I600-D604 PolarHBondContact O-N 3.46Å; T601-D604 WeakPolarHBondContact O-CB 3.48Å; T601-D604 PolarHBondContact O-N 2.85Å; D604-L606 VanDerWaalsContact C-N 3.32Å; D604-L606 PolarHBondContact O-N 3.43Å; D604-M607 PolarHBondContact O-N 3.31Å; D604-E608 WeakPolarHBondContact O-CB 3.31Å; D604-E608 PolarHBondContact O-N 2.8Å
605	E	85	Confident	81.6	Confident	102 Å²	102	50.5 Å²	50.5	48%	0.477	28%	0.278	S	S	.	.	H	α-helix	trans	-56.8	-44	175.8	-74.9	170.4	178.5	0	0	112.1	K550 T601 M603 V609	K550-E605 IonicContact NZ-OE2 3.74Å; K550-E605 PolarHBondContact NZ-OE2 3.17Å; T601-E605 VanDerWaalsContact O-CG 3.31Å; T601-E605 WeakPolarHBondContact O-CG 3.47Å; T601-E605 PolarHBondContact O-N 3.5Å; M603-E605 PolarHBondContact O-N 3.43Å; E605-V609 WeakPolarHBondContact O-CG2 3.09Å; E605-V609 PolarHBondContact O-N 2.97Å; E605-V609 VanDerWaalsContact O-N 3.15Å
606	L	84.6	Confident	79.3	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-71.2	-39.8	179.3	-62.6	175	0	0	0	111.4	V543 H546 M603 D604 E608 V609 S610	V543-L606 HydrophobicContact CG1-CB 3.88Å; H546-L606 HydrophobicContact CB-CD1 3.97Å; M603-L606 PolarHBondContact O-N 3.18Å; D604-L606 VanDerWaalsContact C-N 3.32Å; D604-L606 PolarHBondContact O-N 3.43Å; L606-E608 VanDerWaalsContact C-N 3.34Å; L606-V609 PolarHBondContact O-N 3.31Å; L606-S610 WeakPolarHBondContact O-CB 3.44Å; L606-S610 PolarHBondContact O-N 2.82Å; L606-S610 VanDerWaalsContact O-N 3.09Å; L606-S610 PolarHBondContact O-OG 3.3Å
607	M	84.2	Confident	77.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-39.9	175.3	-71.3	-72.2	-173.8	0	0	111.4	F200 Y204 L207 I212 L540 V543 L544 M603 D604 S610 F611	F200-M607 HydrophobicContact CD1-CB 4.49Å; F200-M607 HydrophobicContact CD1-CG 4.45Å; F200-M607 HydrophobicContact CE1-CB 3.91Å; F200-M607 HydrophobicContact CE1-CG 3.8Å; F200-M607 HydrophobicContact CE2-CG 4.44Å; F200-M607 HydrophobicContact CZ-CB 4.4Å; F200-M607 HydrophobicContact CZ-CG 3.82Å; Y204-M607 HydrophobicContact CD2-CB 4.32Å; Y204-M607 HydrophobicContact CE2-CB 3.63Å; L207-M607 HydrophobicContact CD2-SD 4.45Å; I212-M607 HydrophobicContact CD1-CE 4.22Å; L540-M607 HydrophobicContact CD1-CE 3.98Å; L540-M607 HydrophobicContact CD1-SD 4.34Å; V543-M607 HydrophobicContact CG1-CE 3.87Å; V543-M607 HydrophobicContact CG1-CG 3.91Å; V543-M607 HydrophobicContact CG1-SD 3.55Å; V543-M607 VanDerWaalsContact CG1-SD 3.55Å; L544-M607 HydrophobicContact CD2-CE 3.47Å; L544-M607 VanDerWaalsContact CD2-CE 3.47Å; L544-M607 HydrophobicContact CG-CE 4Å; M603-M607 HydrophobicContact CG-CE 4.37Å; M603-M607 HydrophobicContact CG-CG 4.19Å; M603-M607 WeakPolarHBondContact O-CG 3.3Å; M603-M607 PolarHBondContact O-N 3.41Å; M603-M607 HydrophobicContact SD-CE 4.4Å; D604-M607 PolarHBondContact O-N 3.31Å; M607-S610 PolarHBondContact O-N 2.94Å; M607-F611 HydrophobicContact CB-CD2 4.47Å; M607-F611 WeakPolarHBondContact O-CB 3.46Å; M607-F611 WeakPolarHBondContact O-CD2 3.38Å; M607-F611 PolarHBondContact O-N 3.47Å; M607-F611 HydrophobicContact SD-CD2 3.64Å; M607-F611 HydrophobicContact SD-CE2 3.59Å; M607-F611 VanDerWaalsContact SD-CE2 3.59Å
608	E	81.2	Confident	75.7	Confident	107 Å²	107	50.9 Å²	50.9	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-46.6	176.3	-172.5	176.3	-169.1	0	0	111.5	Y204 D604 L606 S610 S612	Y204-E608 HydrophobicContact CE1-CB 3.91Å; Y204-E608 HydrophobicContact CE1-CG 4.09Å; Y204-E608 PolarHBondContact OH-N 3.27Å; D604-E608 WeakPolarHBondContact O-CB 3.31Å; D604-E608 PolarHBondContact O-N 2.8Å; L606-E608 VanDerWaalsContact C-N 3.34Å; E608-S610 VanDerWaalsContact C-N 3.3Å; E608-S610 PolarHBondContact O-N 2.84Å; E608-S612 WeakPolarHBondContact CG-OG 3.33Å; E608-S612 WeakPolarHBondContact O-CB 3.4Å; E608-S612 PolarHBondContact O-N 3.09Å; E608-S612 VanDerWaalsContact O-N 3.15Å; E608-S612 PolarHBondContact O-OG 3.33Å
609	V	77.4	Confident	75	Confident	107 Å²	107	52.1 Å²	52.1	65%	0.648	31%	0.307	S	S	*	.	H	α-helix	trans	-61.8	-40.3	178.3	171.5	0	0	0	0	111.4	E605 L606	E605-V609 WeakPolarHBondContact O-CG2 3.09Å; E605-V609 PolarHBondContact O-N 2.97Å; E605-V609 VanDerWaalsContact O-N 3.15Å; L606-V609 PolarHBondContact O-N 3.31Å
610	S	77.5	Confident	74.6	Confident	41 Å²	41	55.2 Å²	55.2	29%	0.287	33%	0.326	S	S	.	.	H	α-helix	trans	-88.3	-28.7	-171.9	-70.3	0	0	0	0	115.1	V543 L606 M607 E608	V543-S610 WeakPolarHBondContact CG2-OG 3.32Å; L606-S610 WeakPolarHBondContact O-CB 3.44Å; L606-S610 PolarHBondContact O-N 2.82Å; L606-S610 VanDerWaalsContact O-N 3.09Å; L606-S610 PolarHBondContact O-OG 3.3Å; M607-S610 PolarHBondContact O-N 2.94Å; E608-S610 VanDerWaalsContact C-N 3.3Å; E608-S610 PolarHBondContact O-N 2.84Å
611	F	74.4	Confident	74.5	Confident	23 Å²	23	56.1 Å²	56.1	10%	0.101	33%	0.331	C	S	.	.	H	α-helix	trans	-124.2	-3.4	-169.8	-61.2	-76.5	0	0	0	115	Y204 L207 L540 V543 M607 P613	Y204-F611 HydrophobicContact CD2-CB 4.48Å; Y204-F611 HydrophobicContact CG-CB 4.19Å; L207-F611 HydrophobicContact CB-CB 4.09Å; L207-F611 HydrophobicContact CB-CD1 4.3Å; L207-F611 HydrophobicContact CB-CG 4.22Å; L207-F611 HydrophobicContact CD1-CD1 4.12Å; L207-F611 HydrophobicContact CD1-CD2 4.35Å; L207-F611 HydrophobicContact CD1-CE1 4.23Å; L207-F611 HydrophobicContact CD1-CE2 4.45Å; L207-F611 HydrophobicContact CD1-CG 4.2Å; L207-F611 HydrophobicContact CD1-CZ 4.4Å; L540-F611 HydrophobicContact CB-CZ 3.96Å; L540-F611 HydrophobicContact CD1-CE2 4.14Å; L540-F611 HydrophobicContact CD1-CZ 3.95Å; V543-F611 HydrophobicContact CB-CE2 4.29Å; V543-F611 HydrophobicContact CG1-CE2 4.3Å; V543-F611 HydrophobicContact CG2-CE2 4.2Å; M607-F611 HydrophobicContact CB-CD2 4.47Å; M607-F611 WeakPolarHBondContact O-CB 3.46Å; M607-F611 WeakPolarHBondContact O-CD2 3.38Å; M607-F611 PolarHBondContact O-N 3.47Å; M607-F611 HydrophobicContact SD-CD2 3.64Å; M607-F611 HydrophobicContact SD-CE2 3.59Å; M607-F611 VanDerWaalsContact SD-CE2 3.59Å; F611-P613 WeakPolarHBondContact O-CD 3.38Å
612	S	61.8	Low	74.8	Confident	26 Å²	26	52.2 Å²	52.2	18%	0.182	31%	0.307	C	S	.	.	S	Bend	trans	-60.9	128.1	167.6	-67.5	0	0	0	0	109.7	E608 I614	E608-S612 WeakPolarHBondContact CG-OG 3.33Å; E608-S612 WeakPolarHBondContact O-CB 3.4Å; E608-S612 PolarHBondContact O-N 3.09Å; E608-S612 VanDerWaalsContact O-N 3.15Å; E608-S612 PolarHBondContact O-OG 3.33Å; S612-I614 PolarHBondContact O-N 3.15Å
613	P	52.2	Low	75.2	Confident	27 Å²	27	55.2 Å²	55.2	18%	0.175	32%	0.315	C	S	.	.			trans	-61.3	115.2	177.6	-16.3	26.6	0	0	0	109.5	F611 A615 A616 T617	F611-P613 WeakPolarHBondContact O-CD 3.38Å; P613-A615 PolarHBondContact O-N 3.15Å; P613-A615 VanDerWaalsContact O-N 3.14Å; P613-A616 HydrophobicContact CB-CB 3.74Å; P613-A616 HydrophobicContact CG-CB 4.09Å; P613-A616 PolarHBondContact O-N 3.42Å; P613-T617 PolarHBondContact O-N 2.67Å; P613-T617 PolarHBondContact O-OG1 3.49Å
614	I	51.8	Low	75.3	Confident	69 Å²	69	55.2 Å²	55.2	35%	0.354	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.2	172.9	-65.9	172.3	0	0	0	110.1	S612 I634 H642	S612-I614 PolarHBondContact O-N 3.15Å; I614-I634 HydrophobicContact CB-CD1 4.44Å; I614-I634 HydrophobicContact CG2-CD1 3.56Å; I614-H642 HydrophobicContact CG2-CB 3.86Å; I614-H642 VanDerWaalsContact CG2-CG 3.47Å
615	A	49.9	Very low	75.5	Confident	47 Å²	47	54.6 Å²	54.6	39%	0.388	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-20.9	176	0	0	0	0	0	114.9	P613 K632	P613-A615 PolarHBondContact O-N 3.15Å; P613-A615 VanDerWaalsContact O-N 3.14Å; A615-K632 WeakPolarHBondContact O-CD 3.48Å; A615-K632 PolarHBondContact O-NZ 2.83Å
616	A	51.2	Low	75.9	Confident	77 Å²	77	54.4 Å²	54.4	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-14.1	-179.2	0	0	0	0	0	113.1	P613	P613-A616 HydrophobicContact CB-CB 3.74Å; P613-A616 HydrophobicContact CG-CB 4.09Å; P613-A616 PolarHBondContact O-N 3.42Å
617	T	56.8	Low	76.2	Confident	60 Å²	60	53.4 Å²	53.4	37%	0.368	31%	0.308	S	S	.	.	S	Bend	trans	-105.7	133.8	177.4	50.4	0	0	0	0	109.9	P613 I634	P613-T617 PolarHBondContact O-N 2.67Å; P613-T617 PolarHBondContact O-OG1 3.49Å; T617-I634 WeakPolarHBondContact O-CG1 3.44Å
618	G	62.7	Low	76.5	Confident	33 Å²	33	58 Å²	58	34%	0.34	33%	0.329	S	S	.	.	S	Bend	trans	111.8	144.1	177.1	0	0	0	0	0	114.5	Y633	G618-Y633 CarbonylContact C-O 3.44Å; G618-Y633 WeakPolarHBondContact CA-O 3.28Å
619	K	81.1	Confident	76.9	Confident	159 Å²	159	59.9 Å²	59.9	69%	0.691	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	142.2	179.4	-64.2	-179.3	-178.6	-179.8	0	109.1	L621 Y633	K619-L621 PolarHBondContact O-N 3.35Å; K619-Y633 PolarHBondContact N-O 3.46Å; K619-Y633 PolarHBondContact O-N 3.5Å
620	P	88.1	Confident	77.6	Confident	89 Å²	89	59.4 Å²	59.4	58%	0.578	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.2	126.9	167.6	-26.1	35.2	0	0	0	109.9	F630	P620-F630 HydrophobicContact CB-CB 3.99Å; P620-F630 HydrophobicContact CB-CD1 4.18Å; P620-F630 HydrophobicContact CB-CG 4.1Å
621	L	91.8	Very high	78.3	Confident	31 Å²	31	57.5 Å²	57.5	16%	0.162	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-55.8	-178.8	-176.1	71.8	0	0	0	113	K619 M631 Y633 L641 I658 L660 V674	K619-L621 PolarHBondContact O-N 3.35Å; L621-M631 PolarHBondContact N-O 2.94Å; L621-Y633 HydrophobicContact CD2-CD1 4.08Å; L621-Y633 HydrophobicContact CD2-CD2 4.28Å; L621-Y633 HydrophobicContact CD2-CG 3.78Å; L621-L641 HydrophobicContact CB-CD2 4.15Å; L621-L641 HydrophobicContact CD2-CD2 4.29Å; L621-I658 HydrophobicContact CD2-CG2 3.63Å; L621-L660 HydrophobicContact CD1-CB 4.29Å; L621-L660 WeakPolarHBondContact O-CD1 3.4Å; L621-V674 HydrophobicContact CD2-CG1 4.1Å
622	S	94	Very high	78.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.7	-178.4	69	0	0	0	0	110.9	M631 E672	S622-M631 WeakPolarHBondContact O-CA 3.5Å; S622-M631 WeakPolarHBondContact O-CB 3.32Å; S622-M631 PolarHBondContact O-N 2.95Å; S622-M631 VanDerWaalsContact OG-CE 3.28Å; S622-M631 WeakPolarHBondContact OG-CE 3.41Å; S622-E672 WeakPolarHBondContact CA-OE2 3.37Å
623	R	94.3	Very high	80.2	Confident	89 Å²	89	59.2 Å²	59.2	34%	0.336	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	142.1	179.2	-63.4	178.8	-167.2	-98.8	1.2	112.6	H628 R629 F630 M631 E672	R623-H628 PolarHBondContact NH1-O 2.99Å; R623-R629 WeakPolarHBondContact CA-O 3.47Å; R623-F630 HydrophobicContact CG-CD1 4.1Å; R623-F630 HydrophobicContact CG-CE1 4.12Å; R623-M631 WeakPolarHBondContact O-CE 3.47Å; R623-E672 HydrophobicContact CB-CB 4.45Å; R623-E672 HydrophobicContact CB-CG 4.01Å; R623-E672 WeakPolarHBondContact CD-OE1 3.47Å; R623-E672 WeakPolarHBondContact CG-OE1 3.35Å; R623-E672 WeakPolarHBondContact CG-OE2 3.36Å; R623-E672 PolarHBondContact N-OE2 2.98Å; R623-E672 IonicContact NE-OE1 3.35Å; R623-E672 PolarHBondContact NE-OE1 3.22Å; R623-E672 PolarHBondContact O-N 3.25Å
624	C	93.9	Very high	81.7	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.			trans	-71.6	130.4	172.5	-177.3	0	0	0	0	110.1	K626 H628 R629 M631 C643 F671	C624-K626 VanDerWaalsContact C-N 3.25Å; C624-K626 PolarHBondContact O-N 3.14Å; C624-H628 WeakPolarHBondContact O-CA 3.31Å; C624-H628 PolarHBondContact O-N 3.14Å; C624-R629 PolarHBondContact N-O 3.17Å; C624-M631 HydrophobicContact CB-CG 3.72Å; C624-M631 HydrophobicContact CB-SD 3.84Å; C624-C643 HydrophobicContact CB-CB 4.28Å; C624-F671 HydrophobicContact CB-CE1 4.34Å
625	G	92.4	Very high	82.8	Confident	10 Å²	10	61.4 Å²	61.4	10%	0.103	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.6	176.7	0	0	0	0	0	113.9	H628 D669 D670 F671	G625-H628 PolarHBondContact O-CE1 3.01Å; G625-D669 WeakPolarHBondContact CA-O 2.99Å; G625-D670 WeakPolarHBondContact CA-O 3.29Å; G625-F671 VanDerWaalsContact CA-CD2 3.47Å
626	K	91.6	Very high	83.8	Confident	98 Å²	98	62 Å²	62	43%	0.426	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-35.8	178.7	-64.8	178	172.6	176.7	0	114	C624 E648 F671	C624-K626 VanDerWaalsContact C-N 3.25Å; C624-K626 PolarHBondContact O-N 3.14Å; K626-E648 IonicContact NZ-OE1 2.76Å; K626-E648 PolarHBondContact NZ-OE1 3.17Å; K626-E648 IonicContact NZ-OE2 2.88Å; K626-E648 PolarHBondContact NZ-OE2 3.42Å; K626-F671 HydrophobicContact CG-CE2 4.15Å; K626-F671 HydrophobicContact CG-CZ 4.13Å
627	C	91	Very high	84.7	Confident	29 Å²	29	65.3 Å²	65.3	20%	0.196	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	1.5	-171.8	81.1	0	0	0	0	114.6	R629 C646	C627-R629 PolarHBondContact O-N 3.18Å; C627-C646 VanDerWaalsContact SG-SG 3.66Å
628	H	91.1	Very high	85.6	Confident	96 Å²	96	66.2 Å²	66.2	44%	0.444	33%	0.33	S	S	.	.			trans	55.9	12.9	178.9	-46.4	-67.6	0	0	0	116.2	R623 C624 G625 D670	R623-H628 PolarHBondContact NH1-O 2.99Å; C624-H628 WeakPolarHBondContact O-CA 3.31Å; C624-H628 PolarHBondContact O-N 3.14Å; G625-H628 PolarHBondContact O-CE1 3.01Å; H628-D670 IonicContact CE1-OD2 3.05Å; H628-D670 PolarHBondContact CE1-OD2 2.91Å; H628-D670 IonicContact ND1-OD2 3.29Å; H628-D670 PolarHBondContact ND1-OD2 2.67Å
629	R	90.5	Very high	86.4	Confident	146 Å²	146	65.1 Å²	65.1	55%	0.551	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-89.5	153.9	174.1	-62.8	-170.5	-178.2	-152.5	0.5	110.7	R623 C624 C627 M631	R623-R629 WeakPolarHBondContact CA-O 3.47Å; C624-R629 PolarHBondContact N-O 3.17Å; C627-R629 PolarHBondContact O-N 3.18Å; R629-M631 PolarHBondContact O-N 3.14Å
630	F	91.9	Very high	86.8	Confident	98 Å²	98	60 Å²	60	43%	0.43	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	128.9	176.1	-76.1	-74.3	0	0	0	111.9	P620 R623	P620-F630 HydrophobicContact CB-CB 3.99Å; P620-F630 HydrophobicContact CB-CD1 4.18Å; P620-F630 HydrophobicContact CB-CG 4.1Å; R623-F630 HydrophobicContact CG-CD1 4.1Å; R623-F630 HydrophobicContact CG-CE1 4.12Å
631	M	91.9	Very high	86.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.5	164.7	-58.5	-176	-69.6	0	0	109.5	L621 S622 R623 C624 R629 L641 H642 C643 Y650 F671 P689	L621-M631 PolarHBondContact N-O 2.94Å; S622-M631 WeakPolarHBondContact O-CA 3.5Å; S622-M631 WeakPolarHBondContact O-CB 3.32Å; S622-M631 PolarHBondContact O-N 2.95Å; S622-M631 VanDerWaalsContact OG-CE 3.28Å; S622-M631 WeakPolarHBondContact OG-CE 3.41Å; R623-M631 WeakPolarHBondContact O-CE 3.47Å; C624-M631 HydrophobicContact CB-CG 3.72Å; C624-M631 HydrophobicContact CB-SD 3.84Å; R629-M631 PolarHBondContact O-N 3.14Å; M631-L641 HydrophobicContact CB-CB 4.32Å; M631-L641 HydrophobicContact CB-CD2 4.05Å; M631-L641 HydrophobicContact CE-CD1 4.29Å; M631-L641 HydrophobicContact SD-CB 4.48Å; M631-H642 CarbonylContact C-O 3.53Å; M631-H642 VanDerWaalsContact CA-O 3.29Å; M631-H642 WeakPolarHBondContact CA-O 3.45Å; M631-C643 HydrophobicContact CG-CB 3.81Å; M631-C643 HydrophobicContact SD-CB 4.3Å; M631-Y650 HydrophobicContact SD-CD2 3.67Å; M631-Y650 HydrophobicContact SD-CE2 3.65Å; M631-F671 HydrophobicContact CE-CD1 3.79Å; M631-F671 HydrophobicContact CE-CE1 4.1Å; M631-F671 HydrophobicContact SD-CD1 4.19Å; M631-F671 HydrophobicContact SD-CE1 3.86Å; M631-P689 HydrophobicContact CE-CG 4.29Å
632	K	87.6	Confident	86.7	Confident	63 Å²	63	54.7 Å²	54.7	27%	0.274	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.2	178.1	-62.7	-172.4	-177.6	-171.7	0	109.6	A615 I634 L641 H642	A615-K632 WeakPolarHBondContact O-CD 3.48Å; A615-K632 PolarHBondContact O-NZ 2.83Å; K632-I634 PolarHBondContact O-N 2.94Å; K632-L641 WeakPolarHBondContact O-CA 3.33Å; K632-H642 PolarHBondContact N-O 3.4Å; K632-H642 PolarHBondContact O-N 3.18Å
633	Y	89	Confident	86.3	Confident	22 Å²	22	54.7 Å²	54.7	9%	0.086	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.3	172.9	175.4	-133.7	0	0	0	110.4	G618 K619 L621 Q635 L652 I658	G618-Y633 CarbonylContact C-O 3.44Å; G618-Y633 WeakPolarHBondContact CA-O 3.28Å; K619-Y633 PolarHBondContact N-O 3.46Å; K619-Y633 PolarHBondContact O-N 3.5Å; L621-Y633 HydrophobicContact CD2-CD1 4.08Å; L621-Y633 HydrophobicContact CD2-CD2 4.28Å; L621-Y633 HydrophobicContact CD2-CG 3.78Å; Y633-Q635 HydrophobicContact CD1-CG 3.72Å; Y633-Q635 HydrophobicContact CE1-CB 4.5Å; Y633-Q635 HydrophobicContact CE1-CG 3.24Å; Y633-L652 HydrophobicContact CD2-CD1 3.64Å; Y633-L652 HydrophobicContact CE2-CD1 3.51Å; Y633-I658 HydrophobicContact CE1-CB 4.13Å; Y633-I658 HydrophobicContact CE2-CB 3.99Å; Y633-I658 HydrophobicContact CE2-CG1 4.07Å; Y633-I658 HydrophobicContact CE2-CG2 4.28Å
634	I	82.5	Confident	85.7	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.4	177.3	-61.1	167.6	0	0	0	107.4	I614 T617 K632 A636 S639 R640 H642	I614-I634 HydrophobicContact CB-CD1 4.44Å; I614-I634 HydrophobicContact CG2-CD1 3.56Å; T617-I634 WeakPolarHBondContact O-CG1 3.44Å; K632-I634 PolarHBondContact O-N 2.94Å; I634-A636 VanDerWaalsContact C-N 3.34Å; I634-A636 HydrophobicContact CG2-CB 4.06Å; I634-S639 WeakPolarHBondContact O-CA 3.4Å; I634-R640 HydrophobicContact CB-CG 3.91Å; I634-R640 HydrophobicContact CD1-CG 4.15Å; I634-R640 HydrophobicContact CG2-CG 4.29Å; I634-R640 PolarHBondContact N-O 2.65Å; I634-R640 PolarHBondContact O-N 3.47Å; I634-R640 VanDerWaalsContact O-N 3.17Å; I634-H642 HydrophobicContact CD1-CB 3.89Å
635	Q	75.6	Confident	85.2	Confident	139 Å²	139	58.5 Å²	58.5	65%	0.65	29%	0.288	S	S	*	.			trans	-78.4	-17.7	-178.8	-74.1	-179.1	-5.3	0	0	113.4	Y633 K637	Y633-Q635 HydrophobicContact CD1-CG 3.72Å; Y633-Q635 HydrophobicContact CE1-CB 4.5Å; Y633-Q635 HydrophobicContact CE1-CG 3.24Å; Q635-K637 PolarHBondContact O-N 3.37Å
636	A	70.3	Confident	84.6	Confident	60 Å²	60	59.9 Å²	59.9	50%	0.496	30%	0.295	S	S	.	.	S	Bend	trans	-61.2	133	176.3	0	0	0	0	0	110.1	I634 P638 S639	I634-A636 VanDerWaalsContact C-N 3.34Å; I634-A636 HydrophobicContact CG2-CB 4.06Å; A636-P638 CarbonylContact O-C 3.55Å; A636-S639 PolarHBondContact O-N 3.24Å
637	K	70.3	Confident	84.2	Confident	147 Å²	147	61.6 Å²	61.6	64%	0.639	31%	0.309	S	S	*	.	S	Bend	trans	-71.2	136.9	-177.7	-67.7	-170.2	-179.7	-171.1	0	110.6	Q635 N655	Q635-K637 PolarHBondContact O-N 3.37Å; K637-N655 PolarHBondContact NZ-OD1 3.06Å
638	P	75.1	Confident	83.9	Confident	79 Å²	79	63.1 Å²	63.1	51%	0.513	31%	0.314	S	S	.	.	S	Bend	cis	-71.3	132.9	-6.1	29.7	-33.9	0	0	0	111.7	A636 R640	A636-P638 CarbonylContact O-C 3.55Å; P638-R640 PolarHBondContact O-NH1 3.34Å
639	S	80.6	Confident	83.7	Confident	9 Å²	9	61.6 Å²	61.6	6%	0.063	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-59.8	139.1	179.2	56.9	0	0	0	0	111.3	I634 A636 L652 P653 Q654	I634-S639 WeakPolarHBondContact O-CA 3.4Å; A636-S639 PolarHBondContact O-N 3.24Å; S639-L652 PolarHBondContact O-N 2.93Å; S639-L652 VanDerWaalsContact O-N 3.15Å; S639-P653 PolarHBondContact OG-O 3Å; S639-Q654 VanDerWaalsContact N-NE2 3.16Å; S639-Q654 VanDerWaalsContact N-OE1 3.13Å; S639-Q654 PolarHBondContact O-NE2 3.48Å; S639-Q654 PolarHBondContact OG-NE2 3.28Å; S639-Q654 VanDerWaalsContact OG-NE2 3.08Å; S639-Q654 PolarHBondContact OG-OE1 2.92Å
640	R	89.3	Confident	83.7	Confident	52 Å²	52	54.7 Å²	54.7	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.8	-172.5	57	-157.5	-177.6	-112.1	10.7	112.9	I634 P638 T649 Y650	I634-R640 HydrophobicContact CB-CG 3.91Å; I634-R640 HydrophobicContact CD1-CG 4.15Å; I634-R640 HydrophobicContact CG2-CG 4.29Å; I634-R640 PolarHBondContact N-O 2.65Å; I634-R640 PolarHBondContact O-N 3.47Å; I634-R640 VanDerWaalsContact O-N 3.17Å; P638-R640 PolarHBondContact O-NH1 3.34Å; R640-T649 HydrophobicContact CB-CG2 3.95Å; R640-T649 HydrophobicContact CG-CG2 4.01Å; R640-Y650 CarbonylContact C-O 3.58Å; R640-Y650 VanDerWaalsContact CA-O 3.26Å; R640-Y650 WeakPolarHBondContact CA-O 3.4Å; R640-Y650 VanDerWaalsContact CB-O 3.28Å; R640-Y650 WeakPolarHBondContact CB-O 3.5Å
641	L	90.4	Very high	83.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.3	169.8	-80.3	161.9	0	0	0	109.6	L621 M631 K632 T649 Y650 L652 V674 P689	L621-L641 HydrophobicContact CB-CD2 4.15Å; L621-L641 HydrophobicContact CD2-CD2 4.29Å; M631-L641 HydrophobicContact CB-CB 4.32Å; M631-L641 HydrophobicContact CB-CD2 4.05Å; M631-L641 HydrophobicContact CE-CD1 4.29Å; M631-L641 HydrophobicContact SD-CB 4.48Å; K632-L641 WeakPolarHBondContact O-CA 3.33Å; L641-T649 CarbonylContact O-C 3.56Å; L641-T649 WeakPolarHBondContact O-CA 3.26Å; L641-Y650 PolarHBondContact N-O 3Å; L641-Y650 PolarHBondContact O-N 3.44Å; L641-L652 HydrophobicContact CD1-CD1 4.13Å; L641-L652 HydrophobicContact CD1-CD2 4.02Å; L641-L652 HydrophobicContact CD1-CG 4.43Å; L641-L652 HydrophobicContact CG-CD1 3.89Å; L641-L652 HydrophobicContact CG-CG 4.44Å; L641-V674 HydrophobicContact CD1-CG1 4.13Å; L641-P689 HydrophobicContact CD1-CB 3.88Å; L641-P689 HydrophobicContact CD1-CG 3.52Å
642	H	86.8	Confident	83.6	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.5	178.2	174.6	73.2	0	0	0	111.3	I614 M631 K632 I634 D647 E648 T649	I614-H642 HydrophobicContact CG2-CB 3.86Å; I614-H642 VanDerWaalsContact CG2-CG 3.47Å; M631-H642 CarbonylContact C-O 3.53Å; M631-H642 VanDerWaalsContact CA-O 3.29Å; M631-H642 WeakPolarHBondContact CA-O 3.45Å; K632-H642 PolarHBondContact N-O 3.4Å; K632-H642 PolarHBondContact O-N 3.18Å; I634-H642 HydrophobicContact CD1-CB 3.89Å; H642-D647 IonicContact CE1-OD1 3.9Å; H642-D647 PolarHBondContact CE1-OD1 3.25Å; H642-E648 WeakPolarHBondContact CA-O 3.42Å; H642-E648 PolarHBondContact ND1-O 2.88Å; H642-T649 PolarHBondContact ND1-OG1 3.01Å
643	C	87.1	Confident	83.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	105.9	173.3	-172.9	0	0	0	0	109.8	C624 M631 H645 C646 D647 E648	C624-C643 HydrophobicContact CB-CB 4.28Å; M631-C643 HydrophobicContact CG-CB 3.81Å; M631-C643 HydrophobicContact SD-CB 4.3Å; C643-H645 PolarHBondContact O-N 3.34Å; C643-H645 VanDerWaalsContact O-N 3.11Å; C643-C646 HydrophobicContact CB-CB 4.21Å; C643-C646 PolarHBondContact O-N 3.19Å; C643-D647 WeakPolarHBondContact O-CA 3.1Å; C643-D647 PolarHBondContact O-N 2.84Å; C643-E648 PolarHBondContact N-O 3.15Å; C643-E648 PolarHBondContact O-N 3.08Å
644	S	80.9	Confident	83.3	Confident	59 Å²	59	52.3 Å²	52.3	41%	0.413	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.7	-179.2	-53.4	0	0	0	0	114.7
645	H	82.5	Confident	83.2	Confident	109 Å²	109	58 Å²	58	51%	0.505	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-39.4	179.5	-169.5	55	0	0	0	112.6	C643 D647	C643-H645 PolarHBondContact O-N 3.34Å; C643-H645 VanDerWaalsContact O-N 3.11Å; H645-D647 VanDerWaalsContact C-N 3.32Å
646	C	81	Confident	83.5	Confident	39 Å²	39	52.7 Å²	52.7	26%	0.264	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.3	172.2	-59.1	0	0	0	0	112.7	C627 C643 E648	C627-C646 VanDerWaalsContact SG-SG 3.66Å; C643-C646 HydrophobicContact CB-CB 4.21Å; C643-C646 PolarHBondContact O-N 3.19Å; C646-E648 HydrophobicContact CB-CB 4.35Å; C646-E648 HydrophobicContact CB-CG 4.32Å; C646-E648 PolarHBondContact O-N 3.39Å
647	D	83	Confident	84.3	Confident	134 Å²	134	52.1 Å²	52.1	72%	0.717	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	37.6	-171.2	-159.4	29.6	0	0	0	113.6	H642 C643 H645	H642-D647 IonicContact CE1-OD1 3.9Å; H642-D647 PolarHBondContact CE1-OD1 3.25Å; C643-D647 WeakPolarHBondContact O-CA 3.1Å; C643-D647 PolarHBondContact O-N 2.84Å; H645-D647 VanDerWaalsContact C-N 3.32Å
648	E	83.9	Confident	85.4	Confident	62 Å²	62	45.8 Å²	45.8	29%	0.29	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.4	-177.8	-74.1	-173.2	-153.2	0	0	111.9	K626 H642 C643 C646 Y650	K626-E648 IonicContact NZ-OE1 2.76Å; K626-E648 PolarHBondContact NZ-OE1 3.17Å; K626-E648 IonicContact NZ-OE2 2.88Å; K626-E648 PolarHBondContact NZ-OE2 3.42Å; H642-E648 WeakPolarHBondContact CA-O 3.42Å; H642-E648 PolarHBondContact ND1-O 2.88Å; C643-E648 PolarHBondContact N-O 3.15Å; C643-E648 PolarHBondContact O-N 3.08Å; C646-E648 HydrophobicContact CB-CB 4.35Å; C646-E648 HydrophobicContact CB-CG 4.32Å; C646-E648 PolarHBondContact O-N 3.39Å; E648-Y650 HydrophobicContact CB-CE2 4.25Å; E648-Y650 PolarHBondContact OE2-OH 3.36Å
649	T	87.1	Confident	86.2	Confident	64 Å²	64	48.3 Å²	48.3	39%	0.393	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.9	-178.6	-55.3	0	0	0	0	111.2	R640 L641 H642	R640-T649 HydrophobicContact CB-CG2 3.95Å; R640-T649 HydrophobicContact CG-CG2 4.01Å; L641-T649 CarbonylContact O-C 3.56Å; L641-T649 WeakPolarHBondContact O-CA 3.26Å; H642-T649 PolarHBondContact ND1-OG1 3.01Å
650	Y	91.6	Very high	86.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.8	-177.8	-54.6	-75	0	0	0	110.2	M631 R640 L641 E648 F671 P689 Y690 S693	M631-Y650 HydrophobicContact SD-CD2 3.67Å; M631-Y650 HydrophobicContact SD-CE2 3.65Å; R640-Y650 CarbonylContact C-O 3.58Å; R640-Y650 VanDerWaalsContact CA-O 3.26Å; R640-Y650 WeakPolarHBondContact CA-O 3.4Å; R640-Y650 VanDerWaalsContact CB-O 3.28Å; R640-Y650 WeakPolarHBondContact CB-O 3.5Å; L641-Y650 PolarHBondContact N-O 3Å; L641-Y650 PolarHBondContact O-N 3.44Å; E648-Y650 HydrophobicContact CB-CE2 4.25Å; E648-Y650 PolarHBondContact OE2-OH 3.36Å; Y650-F671 HydrophobicContact CD2-CE1 4.28Å; Y650-F671 HydrophobicContact CE1-CE1 4.23Å; Y650-F671 HydrophobicContact CE1-CZ 4.28Å; Y650-F671 AromaticContact CE2-CE1 3.65Å; Y650-F671 HydrophobicContact CE2-CE1 3.65Å; Y650-F671 HydrophobicContact CE2-CZ 4.18Å; Y650-F671 AromaticContact CZ-CE1 3.6Å; Y650-F671 AromaticContact CZ-CZ 3.68Å; Y650-F671 VanDerWaalsContact OH-CZ 3.29Å; Y650-F671 WeakPolarHBondContact OH-CZ 2.97Å; Y650-P689 HydrophobicContact CG-CB 4.34Å; Y650-Y690 HydrophobicContact CD1-CD2 4.31Å; Y650-Y690 AromaticContact CE1-CD2 3.5Å; Y650-Y690 HydrophobicContact CE1-CD2 3.5Å; Y650-Y690 HydrophobicContact CE1-CE2 4.17Å; Y650-Y690 HydrophobicContact CE1-CG 4.45Å; Y650-S693 WeakPolarHBondContact CA-OG 3.23Å
651	S	89.8	Confident	86.8	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	150.5	178.5	-61.3	0	0	0	0	110.7	F692 S693	S651-F692 WeakPolarHBondContact O-CD1 3.39Å; S651-S693 PolarHBondContact N-OG 3.42Å
652	L	90.4	Very high	86.6	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	30%	0.302	C	S	.	.			trans	-123.7	158.9	173.1	-69.6	176	0	0	0	111.2	Y633 S639 L641 Q654 I658 V674 L687	Y633-L652 HydrophobicContact CD2-CD1 3.64Å; Y633-L652 HydrophobicContact CE2-CD1 3.51Å; S639-L652 PolarHBondContact O-N 2.93Å; S639-L652 VanDerWaalsContact O-N 3.15Å; L641-L652 HydrophobicContact CD1-CD1 4.13Å; L641-L652 HydrophobicContact CD1-CD2 4.02Å; L641-L652 HydrophobicContact CD1-CG 4.43Å; L641-L652 HydrophobicContact CG-CD1 3.89Å; L641-L652 HydrophobicContact CG-CG 4.44Å; L652-Q654 PolarHBondContact O-NE2 2.8Å; L652-I658 HydrophobicContact CB-CD1 4.28Å; L652-I658 HydrophobicContact CD1-CD1 4.32Å; L652-I658 HydrophobicContact CD1-CG1 4.12Å; L652-I658 HydrophobicContact CD1-CG2 4.08Å; L652-I658 HydrophobicContact CD2-CD1 4.5Å; L652-V674 HydrophobicContact CD2-CG2 3.91Å; L652-L687 HydrophobicContact CD2-CD1 3.94Å
653	P	87.9	Confident	86.5	Confident	11 Å²	11	61.5 Å²	61.5	7%	0.071	33%	0.33	C	S	.	.			trans	-62	138.7	174	-5.4	11.4	0	0	0	111.5	S639 W676 Y685 L687 F692	S639-P653 PolarHBondContact OG-O 3Å; P653-W676 HydrophobicContact CB-CD2 4.34Å; P653-W676 HydrophobicContact CB-CG 3.97Å; P653-W676 HydrophobicContact CG-CB 4.07Å; P653-W676 HydrophobicContact CG-CG 3.95Å; P653-Y685 HydrophobicContact CG-CE2 4.49Å; P653-L687 HydrophobicContact CG-CD1 4.2Å; P653-L687 HydrophobicContact CG-CD2 3.74Å; P653-F692 HydrophobicContact CB-CE2 4.13Å; P653-F692 HydrophobicContact CB-CZ 4Å; P653-F692 HydrophobicContact CG-CD2 4.31Å; P653-F692 HydrophobicContact CG-CE2 3.52Å; P653-F692 HydrophobicContact CG-CZ 3.74Å
654	Q	83.9	Confident	86.8	Confident	65 Å²	65	64.4 Å²	64.4	30%	0.304	35%	0.346	S	S	.	.	S	Bend	trans	-85.4	170.1	-177.7	-57.7	-54.2	-51	0	0	111.6	S639 L652 G656 W676	S639-Q654 VanDerWaalsContact N-NE2 3.16Å; S639-Q654 VanDerWaalsContact N-OE1 3.13Å; S639-Q654 PolarHBondContact O-NE2 3.48Å; S639-Q654 PolarHBondContact OG-NE2 3.28Å; S639-Q654 VanDerWaalsContact OG-NE2 3.08Å; S639-Q654 PolarHBondContact OG-OE1 2.92Å; L652-Q654 PolarHBondContact O-NE2 2.8Å; Q654-G656 VanDerWaalsContact C-N 3.29Å; Q654-G656 PolarHBondContact O-N 2.86Å; Q654-W676 PolarHBondContact O-NE1 2.86Å
655	N	80.6	Confident	87.4	Confident	121 Å²	121	67.3 Å²	67.3	65%	0.647	35%	0.348	S	S	*	.	S	Bend	trans	54.8	37.4	172.1	-57.6	-31.8	0	0	0	115.2	K637	K637-N655 PolarHBondContact NZ-OD1 3.06Å
656	G	82	Confident	87.9	Confident	29 Å²	29	62.4 Å²	62.4	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	-157.9	173.9	171.5	0	0	0	0	0	111.9	Q654 T677	Q654-G656 VanDerWaalsContact C-N 3.29Å; Q654-G656 PolarHBondContact O-N 2.86Å; G656-T677 CarbonylContact C-O 3.16Å; G656-T677 WeakPolarHBondContact CA-O 3.33Å
657	A	86.4	Confident	88.4	Confident	48 Å²	48	63.9 Å²	63.9	40%	0.397	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143.2	175.7	0	0	0	0	0	110.8	W676 T677	A657-W676 CarbonylContact O-C 3.6Å; A657-W676 WeakPolarHBondContact O-CA 3.47Å; A657-T677 HydrophobicContact CB-CG2 3.81Å; A657-T677 PolarHBondContact N-O 2.73Å; A657-T677 PolarHBondContact O-N 2.75Å
658	I	92.5	Very high	88.7	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.3	178.6	-58.9	-75.6	0	0	0	108.8	L621 Y633 L652 V674 L675 W676	L621-I658 HydrophobicContact CD2-CG2 3.63Å; Y633-I658 HydrophobicContact CE1-CB 4.13Å; Y633-I658 HydrophobicContact CE2-CB 3.99Å; Y633-I658 HydrophobicContact CE2-CG1 4.07Å; Y633-I658 HydrophobicContact CE2-CG2 4.28Å; L652-I658 HydrophobicContact CB-CD1 4.28Å; L652-I658 HydrophobicContact CD1-CD1 4.32Å; L652-I658 HydrophobicContact CD1-CG1 4.12Å; L652-I658 HydrophobicContact CD1-CG2 4.08Å; L652-I658 HydrophobicContact CD2-CD1 4.5Å; I658-V674 HydrophobicContact CG2-CB 4Å; I658-V674 HydrophobicContact CG2-CG1 4.46Å; I658-V674 HydrophobicContact CG2-CG2 4.17Å; I658-L675 WeakPolarHBondContact CA-O 3.29Å; I658-W676 HydrophobicContact CD1-CB 3.89Å; I658-W676 HydrophobicContact CD1-CG 4.16Å
659	K	91.6	Very high	89.1	Confident	132 Å²	132	59 Å²	59	57%	0.574	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.6	175.2	-64.5	-178.2	-179.6	178.9	0	110.6	V674 L675	K659-V674 CarbonylContact O-C 3.13Å; K659-V674 VanDerWaalsContact O-CA 3.3Å; K659-V674 WeakPolarHBondContact O-CA 3.29Å; K659-V674 WeakPolarHBondContact O-CB 3.15Å; K659-L675 PolarHBondContact N-O 3.41Å; K659-L675 PolarHBondContact O-N 3.5Å
660	L	92.6	Very high	89.4	Confident	58 Å²	58	58.6 Å²	58.6	30%	0.304	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	137.4	170.2	-178.6	61.3	0	0	0	109.8	L621 E663 E672	L621-L660 HydrophobicContact CD1-CB 4.29Å; L621-L660 WeakPolarHBondContact O-CD1 3.4Å; L660-E663 HydrophobicContact CD2-CG 3.84Å; L660-E663 HydrophobicContact CG-CG 4.49Å; L660-E672 HydrophobicContact CD1-CB 4.32Å
661	Y	91.7	Very high	89.6	Confident	8 Å²	8	58.7 Å²	58.7	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	93.6	-177	-176.1	-111.7	0	0	0	112	E663 L664 L673 L675 P686 H716 T739	Y661-E663 PolarHBondContact O-N 2.77Å; Y661-L664 HydrophobicContact CD1-CD1 4.25Å; Y661-L664 HydrophobicContact CE1-CD1 3.76Å; Y661-L664 PolarHBondContact O-N 2.87Å; Y661-L673 WeakPolarHBondContact CB-O 3.21Å; Y661-L673 HydrophobicContact CD1-CB 4Å; Y661-L673 HydrophobicContact CD1-CD1 4.2Å; Y661-L673 PolarHBondContact N-O 3.22Å; Y661-L675 HydrophobicContact CD2-CB 4.06Å; Y661-L675 HydrophobicContact CD2-CD1 4.18Å; Y661-L675 HydrophobicContact CD2-CD2 4.48Å; Y661-L675 HydrophobicContact CD2-CG 4.48Å; Y661-L675 HydrophobicContact CE2-CD1 4.47Å; Y661-L675 HydrophobicContact CG-CB 4.43Å; Y661-P686 HydrophobicContact CD1-CB 3.84Å; Y661-P686 HydrophobicContact CE1-CB 3.93Å; Y661-P686 HydrophobicContact CE1-CG 4.41Å; Y661-P686 HydrophobicContact CG-CB 4.2Å; Y661-H716 AromaticContact CE1-CD2 3.92Å; Y661-H716 AromaticContact CE1-CE1 3.75Å; Y661-H716 AromaticContact CE1-NE2 3.37Å; Y661-H716 WeakPolarHBondContact CE1-NE2 3.36Å; Y661-H716 PolarHBondContact OH-CE1 2.82Å; Y661-T739 HydrophobicContact CD2-CG2 4.36Å; Y661-T739 HydrophobicContact CE2-CG2 3.53Å
662	K	84.6	Confident	89.9	Confident	146 Å²	146	56.3 Å²	56.3	64%	0.635	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.9	20.6	171.4	-59.7	-178.2	-179	176.8	0	115.6	L664	K662-L664 HydrophobicContact CB-CD1 4.04Å; K662-L664 HydrophobicContact CB-CG 3.92Å; K662-L664 HydrophobicContact CD-CD1 4.34Å; K662-L664 PolarHBondContact O-N 2.84Å
663	E	86.4	Confident	90.1	Very high	134 Å²	134	56.3 Å²	56.3	63%	0.626	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.8	20.8	-172.3	-64.9	178.1	-162.9	0	0	113.9	L660 Y661	L660-E663 HydrophobicContact CD2-CG 3.84Å; L660-E663 HydrophobicContact CG-CG 4.49Å; Y661-E663 PolarHBondContact O-N 2.77Å
664	L	91.6	Very high	90.5	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.325	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	145.9	177.4	-68.1	174.6	0	0	0	109.6	Y661 K662 E672 L673	Y661-L664 HydrophobicContact CD1-CD1 4.25Å; Y661-L664 HydrophobicContact CE1-CD1 3.76Å; Y661-L664 PolarHBondContact O-N 2.87Å; K662-L664 HydrophobicContact CB-CD1 4.04Å; K662-L664 HydrophobicContact CB-CG 3.92Å; K662-L664 HydrophobicContact CD-CD1 4.34Å; K662-L664 PolarHBondContact O-N 2.84Å; L664-E672 WeakPolarHBondContact O-CA 3.47Å; L664-L673 HydrophobicContact CB-CD1 4.25Å; L664-L673 WeakPolarHBondContact O-CG 3.48Å; L664-L673 PolarHBondContact O-N 3.29Å
665	R	93.9	Very high	90.9	Very high	121 Å²	121	54 Å²	54	46%	0.457	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	149.2	-178.9	-57.5	-173.4	-169.5	173	4.9	110.9	D670 F671 E672	R665-D670 WeakPolarHBondContact CD-OD1 3.24Å; R665-D670 IonicContact CZ-OD2 3.92Å; R665-D670 IonicContact NE-OD1 4Å; R665-D670 IonicContact NH1-OD1 3.4Å; R665-D670 PolarHBondContact NH1-OD1 2.79Å; R665-D670 IonicContact NH1-OD2 2.98Å; R665-D670 PolarHBondContact NH1-OD2 3Å; R665-F671 CarbonylContact C-O 3.55Å; R665-F671 WeakPolarHBondContact CA-O 3.28Å; R665-E672 HydrophobicContact CG-CG 4.15Å
666	C	92.9	Very high	91.5	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.034	25%	0.252	C	S	.	.			trans	-67.6	129.3	171.4	-170.8	0	0	0	0	109.4	L668 D669 D670 F671 L673 C688	C666-L668 PolarHBondContact O-N 2.67Å; C666-L668 VanDerWaalsContact O-N 3.15Å; C666-D669 WeakPolarHBondContact CB-OD1 3.37Å; C666-D670 WeakPolarHBondContact O-CA 3.47Å; C666-D670 PolarHBondContact O-N 3.47Å; C666-F671 PolarHBondContact N-O 3.07Å; C666-L673 HydrophobicContact CB-CD2 3.96Å; C666-C688 HydrophobicContact CB-CB 4Å
667	P	91.9	Very high	91.9	Very high	70 Å²	70	49.6 Å²	49.6	46%	0.455	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.1	179.5	28.8	-36	0	0	0	113.7	C714	P667-C714 HydrophobicContact CG-CB 4.03Å
668	L	90.1	Very high	91.8	Very high	65 Å²	65	49 Å²	49	34%	0.34	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-43.1	-179.9	-77.4	171.3	0	0	0	113.5	C666 P696 F697 H711	C666-L668 PolarHBondContact O-N 2.67Å; C666-L668 VanDerWaalsContact O-N 3.15Å; L668-P696 HydrophobicContact CD1-CB 4.44Å; L668-P696 HydrophobicContact CD1-CG 3.95Å; L668-F697 HydrophobicContact CD1-CE2 4.2Å; L668-F697 HydrophobicContact CD1-CZ 3.82Å; L668-H711 HydrophobicContact CD1-CB 4.08Å; L668-H711 WeakPolarHBondContact CD2-CD2 3.36Å; L668-H711 WeakPolarHBondContact CD2-NE2 3.43Å; L668-H711 HydrophobicContact CG-CB 4.45Å
669	D	91.1	Very high	91.1	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.16	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	2.3	-165.1	59.5	34.7	0	0	0	113.6	G625 C666 F671 C688 Y690 C691	G625-D669 WeakPolarHBondContact CA-O 2.99Å; C666-D669 WeakPolarHBondContact CB-OD1 3.37Å; D669-F671 HydrophobicContact CB-CD2 3.96Å; D669-F671 WeakPolarHBondContact O-CD2 3.48Å; D669-F671 PolarHBondContact O-N 3.37Å; D669-F671 VanDerWaalsContact O-N 3.12Å; D669-F671 WeakPolarHBondContact OD1-CB 3.32Å; D669-F671 WeakPolarHBondContact OD1-CD2 3.37Å; D669-F671 PolarHBondContact OD1-N 2.71Å; D669-C688 PolarHBondContact OD1-SG 3.27Å; D669-C688 PolarHBondContact OD2-SG 3.11Å; D669-Y690 HydrophobicContact CB-CD1 4.13Å; D669-Y690 WeakPolarHBondContact OD2-CB 3.46Å; D669-Y690 WeakPolarHBondContact OD2-CD1 2.97Å; D669-C691 PolarHBondContact OD2-SG 3.41Å
670	D	93.5	Very high	90.1	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.294	27%	0.265	S	S	.	.			trans	59.8	12.4	-179.2	-156	50.2	0	0	0	115.3	G625 H628 R665 C666	G625-D670 WeakPolarHBondContact CA-O 3.29Å; H628-D670 IonicContact CE1-OD2 3.05Å; H628-D670 PolarHBondContact CE1-OD2 2.91Å; H628-D670 IonicContact ND1-OD2 3.29Å; H628-D670 PolarHBondContact ND1-OD2 2.67Å; R665-D670 WeakPolarHBondContact CD-OD1 3.24Å; R665-D670 IonicContact CZ-OD2 3.92Å; R665-D670 IonicContact NE-OD1 4Å; R665-D670 IonicContact NH1-OD1 3.4Å; R665-D670 PolarHBondContact NH1-OD1 2.79Å; R665-D670 IonicContact NH1-OD2 2.98Å; R665-D670 PolarHBondContact NH1-OD2 3Å; C666-D670 WeakPolarHBondContact O-CA 3.47Å; C666-D670 PolarHBondContact O-N 3.47Å
671	F	95.9	Very high	88.9	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.009	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-70	136.7	173.9	-81.2	-109	0	0	0	111	C624 G625 K626 M631 Y650 R665 C666 D669 L673 P689 Y690	C624-F671 HydrophobicContact CB-CE1 4.34Å; G625-F671 VanDerWaalsContact CA-CD2 3.47Å; K626-F671 HydrophobicContact CG-CE2 4.15Å; K626-F671 HydrophobicContact CG-CZ 4.13Å; M631-F671 HydrophobicContact CE-CD1 3.79Å; M631-F671 HydrophobicContact CE-CE1 4.1Å; M631-F671 HydrophobicContact SD-CD1 4.19Å; M631-F671 HydrophobicContact SD-CE1 3.86Å; Y650-F671 HydrophobicContact CD2-CE1 4.28Å; Y650-F671 HydrophobicContact CE1-CE1 4.23Å; Y650-F671 HydrophobicContact CE1-CZ 4.28Å; Y650-F671 AromaticContact CE2-CE1 3.65Å; Y650-F671 HydrophobicContact CE2-CE1 3.65Å; Y650-F671 HydrophobicContact CE2-CZ 4.18Å; Y650-F671 AromaticContact CZ-CE1 3.6Å; Y650-F671 AromaticContact CZ-CZ 3.68Å; Y650-F671 VanDerWaalsContact OH-CZ 3.29Å; Y650-F671 WeakPolarHBondContact OH-CZ 2.97Å; R665-F671 CarbonylContact C-O 3.55Å; R665-F671 WeakPolarHBondContact CA-O 3.28Å; C666-F671 PolarHBondContact N-O 3.07Å; D669-F671 HydrophobicContact CB-CD2 3.96Å; D669-F671 WeakPolarHBondContact O-CD2 3.48Å; D669-F671 PolarHBondContact O-N 3.37Å; D669-F671 VanDerWaalsContact O-N 3.12Å; D669-F671 WeakPolarHBondContact OD1-CB 3.32Å; D669-F671 WeakPolarHBondContact OD1-CD2 3.37Å; D669-F671 PolarHBondContact OD1-N 2.71Å; F671-L673 PolarHBondContact O-N 3.03Å; F671-P689 HydrophobicContact CD1-CB 4.5Å; F671-Y690 HydrophobicContact CD2-CD2 4.5Å; F671-Y690 HydrophobicContact CD2-CG 4.17Å; F671-Y690 AromaticContact CE2-CD2 3.76Å; F671-Y690 HydrophobicContact CE2-CD2 3.76Å; F671-Y690 AromaticContact CE2-CG 3.87Å; F671-Y690 HydrophobicContact CE2-CG 3.87Å; F671-Y690 AromaticContact CZ-CD2 3.79Å; F671-Y690 HydrophobicContact CZ-CD2 3.79Å; F671-Y690 HydrophobicContact CZ-CG 4.23Å
672	E	96.4	Very high	88.3	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.019	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	130	171.2	-83.8	179.8	-176.1	0	0	110.7	S622 R623 L660 L664 R665	S622-E672 WeakPolarHBondContact CA-OE2 3.37Å; R623-E672 HydrophobicContact CB-CB 4.45Å; R623-E672 HydrophobicContact CB-CG 4.01Å; R623-E672 WeakPolarHBondContact CD-OE1 3.47Å; R623-E672 WeakPolarHBondContact CG-OE1 3.35Å; R623-E672 WeakPolarHBondContact CG-OE2 3.36Å; R623-E672 PolarHBondContact N-OE2 2.98Å; R623-E672 IonicContact NE-OE1 3.35Å; R623-E672 PolarHBondContact NE-OE1 3.22Å; R623-E672 PolarHBondContact O-N 3.25Å; L660-E672 HydrophobicContact CD1-CB 4.32Å; L664-E672 WeakPolarHBondContact O-CA 3.47Å; R665-E672 HydrophobicContact CG-CG 4.15Å
673	L	95.1	Very high	88.4	Confident	4 Å²	4	49 Å²	49	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.7	-177.9	-59.4	-177.1	0	0	0	111.1	Y661 L664 C666 F671 L687 C688	Y661-L673 WeakPolarHBondContact CB-O 3.21Å; Y661-L673 HydrophobicContact CD1-CB 4Å; Y661-L673 HydrophobicContact CD1-CD1 4.2Å; Y661-L673 PolarHBondContact N-O 3.22Å; L664-L673 HydrophobicContact CB-CD1 4.25Å; L664-L673 WeakPolarHBondContact O-CG 3.48Å; L664-L673 PolarHBondContact O-N 3.29Å; C666-L673 HydrophobicContact CB-CD2 3.96Å; F671-L673 PolarHBondContact O-N 3.03Å; L673-L687 WeakPolarHBondContact CA-O 3.42Å; L673-C688 HydrophobicContact CD2-CB 3.68Å
674	V	95.1	Very high	88.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150	171.4	-61.4	0	0	0	0	110.3	L621 L641 L652 I658 K659 P686 L687 P689	L621-V674 HydrophobicContact CD2-CG1 4.1Å; L641-V674 HydrophobicContact CD1-CG1 4.13Å; L652-V674 HydrophobicContact CD2-CG2 3.91Å; I658-V674 HydrophobicContact CG2-CB 4Å; I658-V674 HydrophobicContact CG2-CG1 4.46Å; I658-V674 HydrophobicContact CG2-CG2 4.17Å; K659-V674 CarbonylContact O-C 3.13Å; K659-V674 VanDerWaalsContact O-CA 3.3Å; K659-V674 WeakPolarHBondContact O-CA 3.29Å; K659-V674 WeakPolarHBondContact O-CB 3.15Å; V674-P686 CarbonylContact O-C 3.56Å; V674-P686 WeakPolarHBondContact O-CA 3.35Å; V674-L687 HydrophobicContact CG2-CD1 4.08Å; V674-L687 HydrophobicContact CG2-CD2 4.04Å; V674-L687 HydrophobicContact CG2-CG 3.74Å; V674-L687 PolarHBondContact N-O 2.59Å; V674-L687 PolarHBondContact O-N 3.24Å; V674-P689 HydrophobicContact CG2-CG 4.34Å
675	L	93.3	Very high	88.5	Confident	27 Å²	27	41.9 Å²	41.9	14%	0.141	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.4	178	-176	70.6	0	0	0	109.2	I658 K659 Y661 T739	I658-L675 WeakPolarHBondContact CA-O 3.29Å; K659-L675 PolarHBondContact N-O 3.41Å; K659-L675 PolarHBondContact O-N 3.5Å; Y661-L675 HydrophobicContact CD2-CB 4.06Å; Y661-L675 HydrophobicContact CD2-CD1 4.18Å; Y661-L675 HydrophobicContact CD2-CD2 4.48Å; Y661-L675 HydrophobicContact CD2-CG 4.48Å; Y661-L675 HydrophobicContact CE2-CD1 4.47Å; Y661-L675 HydrophobicContact CG-CB 4.43Å; L675-T739 HydrophobicContact CD1-CG2 3.89Å; L675-T739 HydrophobicContact CD2-CG2 4.15Å
676	W	93.1	Very high	88.5	Confident	27 Å²	27	36.3 Å²	36.3	10%	0.102	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.4	168.4	178.3	88.4	0	0	0	110.4	P653 Q654 A657 I658 K683 S684 Y685 L687	P653-W676 HydrophobicContact CB-CD2 4.34Å; P653-W676 HydrophobicContact CB-CG 3.97Å; P653-W676 HydrophobicContact CG-CB 4.07Å; P653-W676 HydrophobicContact CG-CG 3.95Å; Q654-W676 PolarHBondContact O-NE1 2.86Å; A657-W676 CarbonylContact O-C 3.6Å; A657-W676 WeakPolarHBondContact O-CA 3.47Å; I658-W676 HydrophobicContact CD1-CB 3.89Å; I658-W676 HydrophobicContact CD1-CG 4.16Å; W676-K683 HydrophobicContact CZ3-CB 4.11Å; W676-S684 WeakPolarHBondContact O-CA 3.25Å; W676-S684 WeakPolarHBondContact O-CB 3.03Å; W676-Y685 HydrophobicContact CD2-CE1 4.22Å; W676-Y685 AromaticContact CE3-CD1 3.85Å; W676-Y685 HydrophobicContact CE3-CD1 3.85Å; W676-Y685 AromaticContact CE3-CE1 3.3Å; W676-Y685 HydrophobicContact CE3-CE1 3.3Å; W676-Y685 AromaticContact CE3-CZ 3.8Å; W676-Y685 HydrophobicContact CZ3-CD1 4.19Å; W676-Y685 AromaticContact CZ3-CE1 3.53Å; W676-Y685 HydrophobicContact CZ3-CE1 3.53Å; W676-Y685 PolarHBondContact N-O 2.97Å; W676-Y685 PolarHBondContact O-N 3.17Å; W676-Y685 VanDerWaalsContact O-N 3.13Å; W676-L687 HydrophobicContact CB-CD2 3.76Å
677	T	89.2	Confident	88.5	Confident	30 Å²	30	36 Å²	36	18%	0.184	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.1	174.4	-179.2	0	0	0	0	111.8	G656 A657 G679 K683	G656-T677 CarbonylContact C-O 3.16Å; G656-T677 WeakPolarHBondContact CA-O 3.33Å; A657-T677 HydrophobicContact CB-CG2 3.81Å; A657-T677 PolarHBondContact N-O 2.73Å; A657-T677 PolarHBondContact O-N 2.75Å; T677-G679 VanDerWaalsContact C-N 3.29Å; T677-G679 PolarHBondContact OG1-N 3.37Å; T677-G679 PolarHBondContact OG1-O 3.38Å; T677-K683 WeakPolarHBondContact CA-O 3.49Å
678	S	84.6	Confident	88.7	Confident	37 Å²	37	32.8 Å²	32.8	26%	0.259	18%	0.182	S	C	.	.	S	Bend	trans	-82.4	-2.8	174	49.4	0	0	0	0	113.8	G682 K683	S678-G682 VanDerWaalsContact OG-C 3.24Å; S678-G682 VanDerWaalsContact OG-CA 3.25Å; S678-G682 WeakPolarHBondContact OG-CA 3.11Å; S678-K683 PolarHBondContact N-O 3.06Å; S678-K683 PolarHBondContact OG-N 3.05Å; S678-K683 PolarHBondContact OG-O 3.18Å
679	G	79	Confident	88.9	Confident	30 Å²	30	29.7 Å²	29.7	31%	0.309	17%	0.165	S	C	.	.			trans	135.4	176.6	178.8	0	0	0	0	0	112.6	T677 R681 G682	T677-G679 VanDerWaalsContact C-N 3.29Å; T677-G679 PolarHBondContact OG1-N 3.37Å; T677-G679 PolarHBondContact OG1-O 3.38Å; G679-R681 PolarHBondContact O-N 2.79Å; G679-G682 PolarHBondContact O-N 2.91Å
680	A	69.9	Low	89.1	Confident	104 Å²	104	31.7 Å²	31.7	86%	0.86	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.4	-174.9	0	0	0	0	0	114.3
681	R	68.1	Low	89	Confident	197 Å²	197	29.5 Å²	29.5	74%	0.743	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	11.1	176.6	-66.1	-171.7	-74.8	-172.3	-3.3	113.1	G679	G679-R681 PolarHBondContact O-N 2.79Å
682	G	78.4	Confident	88.9	Confident	2 Å²	2	30.1 Å²	30.1	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	-107.7	177.1	-179.3	0	0	0	0	0	112.3	S678 G679 R745	S678-G682 VanDerWaalsContact OG-C 3.24Å; S678-G682 VanDerWaalsContact OG-CA 3.25Å; S678-G682 WeakPolarHBondContact OG-CA 3.11Å; G679-G682 PolarHBondContact O-N 2.91Å; G682-R745 VanDerWaalsContact O-CZ 3.26Å; G682-R745 PolarHBondContact O-NH1 2.92Å; G682-R745 PolarHBondContact O-NH2 3.09Å
683	K	86.3	Confident	88.6	Confident	23 Å²	23	30.2 Å²	30.2	10%	0.1	16%	0.164	C	C	.	.			trans	-61.5	148.7	174.8	-59.1	-172.8	-175.1	-175.8	0	112.8	W676 T677 S678 A747 C748 C751 V754	W676-K683 HydrophobicContact CZ3-CB 4.11Å; T677-K683 WeakPolarHBondContact CA-O 3.49Å; S678-K683 PolarHBondContact N-O 3.06Å; S678-K683 PolarHBondContact OG-N 3.05Å; S678-K683 PolarHBondContact OG-O 3.18Å; K683-A747 HydrophobicContact CD-CB 4.35Å; K683-A747 HydrophobicContact CG-CB 4.02Å; K683-C748 WeakPolarHBondContact CE-O 3.43Å; K683-C748 PolarHBondContact NZ-O 2.79Å; K683-C751 WeakPolarHBondContact CE-O 3.23Å; K683-C751 PolarHBondContact NZ-O 2.75Å; K683-V754 HydrophobicContact CG-CG2 3.96Å
684	S	89.6	Confident	88.3	Confident	10 Å²	10	34.3 Å²	34.3	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152	158.4	49.5	0	0	0	0	111.8	W676 D737 T739 R745	W676-S684 WeakPolarHBondContact O-CA 3.25Å; W676-S684 WeakPolarHBondContact O-CB 3.03Å; S684-D737 PolarHBondContact OG-OD2 3.41Å; S684-T739 PolarHBondContact OG-OG1 3.06Å; S684-R745 PolarHBondContact OG-NH2 3.05Å
685	Y	91.3	Very high	87.9	Confident	36 Å²	36	36.3 Å²	36.3	14%	0.141	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	146.6	173.6	53.5	-92.8	0	0	0	110.3	P653 W676 L687 N707	P653-Y685 HydrophobicContact CG-CE2 4.49Å; W676-Y685 HydrophobicContact CD2-CE1 4.22Å; W676-Y685 AromaticContact CE3-CD1 3.85Å; W676-Y685 HydrophobicContact CE3-CD1 3.85Å; W676-Y685 AromaticContact CE3-CE1 3.3Å; W676-Y685 HydrophobicContact CE3-CE1 3.3Å; W676-Y685 AromaticContact CE3-CZ 3.8Å; W676-Y685 HydrophobicContact CZ3-CD1 4.19Å; W676-Y685 AromaticContact CZ3-CE1 3.53Å; W676-Y685 HydrophobicContact CZ3-CE1 3.53Å; W676-Y685 PolarHBondContact N-O 2.97Å; W676-Y685 PolarHBondContact O-N 3.17Å; W676-Y685 VanDerWaalsContact O-N 3.13Å; Y685-L687 HydrophobicContact CD2-CD2 4.49Å; Y685-L687 HydrophobicContact CE2-CD2 4.21Å; Y685-N707 VanDerWaalsContact CD2-OD1 3.29Å; Y685-N707 WeakPolarHBondContact CD2-OD1 3.39Å
686	P	93.3	Very high	87.4	Confident	4 Å²	4	38 Å²	38	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	151	169.7	30.2	-33.5	0	0	0	110.5	Y661 V674 C706 H716	Y661-P686 HydrophobicContact CD1-CB 3.84Å; Y661-P686 HydrophobicContact CE1-CB 3.93Å; Y661-P686 HydrophobicContact CE1-CG 4.41Å; Y661-P686 HydrophobicContact CG-CB 4.2Å; V674-P686 CarbonylContact O-C 3.56Å; V674-P686 WeakPolarHBondContact O-CA 3.35Å; P686-C706 HydrophobicContact CG-CB 4.32Å; P686-C706 VanDerWaalsContact O-CB 3.23Å; P686-C706 WeakPolarHBondContact O-CB 3.46Å; P686-C706 PolarHBondContact O-N 3.06Å; P686-H716 HydrophobicContact CG-CB 3.68Å
687	L	94	Very high	86.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.3	171.9	67.7	130	0	0	0	111.7	L652 P653 L673 V674 W676 Y685 F692 C706	L652-L687 HydrophobicContact CD2-CD1 3.94Å; P653-L687 HydrophobicContact CG-CD1 4.2Å; P653-L687 HydrophobicContact CG-CD2 3.74Å; L673-L687 WeakPolarHBondContact CA-O 3.42Å; V674-L687 HydrophobicContact CG2-CD1 4.08Å; V674-L687 HydrophobicContact CG2-CD2 4.04Å; V674-L687 HydrophobicContact CG2-CG 3.74Å; V674-L687 PolarHBondContact N-O 2.59Å; V674-L687 PolarHBondContact O-N 3.24Å; W676-L687 HydrophobicContact CB-CD2 3.76Å; Y685-L687 HydrophobicContact CD2-CD2 4.49Å; Y685-L687 HydrophobicContact CE2-CD2 4.21Å; L687-F692 HydrophobicContact CD1-CB 3.85Å; L687-F692 HydrophobicContact CD1-CD2 3.7Å; L687-F692 HydrophobicContact CD1-CE2 4.39Å; L687-F692 HydrophobicContact CD1-CG 3.81Å; L687-C706 VanDerWaalsContact CA-SG 3.54Å
688	C	95.3	Very high	86.4	Confident	2 Å²	2	50 Å²	50	1%	0.014	25%	0.252	C	S	.	.			trans	-86.7	125.7	165.3	170.8	0	0	0	0	109.3	C666 D669 L673 Y690 C691 F692 C706	C666-C688 HydrophobicContact CB-CB 4Å; D669-C688 PolarHBondContact OD1-SG 3.27Å; D669-C688 PolarHBondContact OD2-SG 3.11Å; L673-C688 HydrophobicContact CD2-CB 3.68Å; C688-Y690 VanDerWaalsContact C-N 3.26Å; C688-Y690 PolarHBondContact O-N 3.32Å; C688-Y690 PolarHBondContact SG-N 2.74Å; C688-Y690 VanDerWaalsContact SG-N 3.41Å; C688-C691 HydrophobicContact CB-CB 3.95Å; C688-F692 VanDerWaalsContact O-CB 3.24Å; C688-F692 WeakPolarHBondContact O-CB 3.07Å; C688-F692 PolarHBondContact O-N 2.98Å; C688-C706 PolarHBondContact N-SG 3Å
689	P	94.7	Very high	85.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-36.3	178.2	-25.5	34.5	0	0	0	114	M631 L641 Y650 F671 V674 S693	M631-P689 HydrophobicContact CE-CG 4.29Å; L641-P689 HydrophobicContact CD1-CB 3.88Å; L641-P689 HydrophobicContact CD1-CG 3.52Å; Y650-P689 HydrophobicContact CG-CB 4.34Å; F671-P689 HydrophobicContact CD1-CB 4.5Å; V674-P689 HydrophobicContact CG2-CG 4.34Å; P689-S693 PolarHBondContact O-N 2.83Å; P689-S693 PolarHBondContact O-OG 3.29Å
690	Y	94.3	Very high	85.9	Confident	72 Å²	72	54.4 Å²	54.4	28%	0.282	27%	0.265	S	S	.	.	H	α-helix	trans	-71.7	-56.8	-179.8	-171.6	-93.6	0	0	0	110.9	Y650 D669 F671 C688 F692 S693 H694	Y650-Y690 HydrophobicContact CD1-CD2 4.31Å; Y650-Y690 AromaticContact CE1-CD2 3.5Å; Y650-Y690 HydrophobicContact CE1-CD2 3.5Å; Y650-Y690 HydrophobicContact CE1-CE2 4.17Å; Y650-Y690 HydrophobicContact CE1-CG 4.45Å; D669-Y690 HydrophobicContact CB-CD1 4.13Å; D669-Y690 WeakPolarHBondContact OD2-CB 3.46Å; D669-Y690 WeakPolarHBondContact OD2-CD1 2.97Å; F671-Y690 HydrophobicContact CD2-CD2 4.5Å; F671-Y690 HydrophobicContact CD2-CG 4.17Å; F671-Y690 AromaticContact CE2-CD2 3.76Å; F671-Y690 HydrophobicContact CE2-CD2 3.76Å; F671-Y690 AromaticContact CE2-CG 3.87Å; F671-Y690 HydrophobicContact CE2-CG 3.87Å; F671-Y690 AromaticContact CZ-CD2 3.79Å; F671-Y690 HydrophobicContact CZ-CD2 3.79Å; F671-Y690 HydrophobicContact CZ-CG 4.23Å; C688-Y690 VanDerWaalsContact C-N 3.26Å; C688-Y690 PolarHBondContact O-N 3.32Å; C688-Y690 PolarHBondContact SG-N 2.74Å; C688-Y690 VanDerWaalsContact SG-N 3.41Å; Y690-F692 PolarHBondContact O-N 2.91Å; Y690-S693 CarbonylContact O-C 3.55Å; Y690-S693 PolarHBondContact O-N 3.37Å; Y690-H694 HydrophobicContact CD1-CB 4.43Å; Y690-H694 AromaticContact CD2-ND1 3.74Å; Y690-H694 HydrophobicContact CE1-CB 4.09Å; Y690-H694 AromaticContact CE2-ND1 3.54Å; Y690-H694 AromaticContact CZ-ND1 3.91Å; Y690-H694 PolarHBondContact O-N 2.96Å
691	C	92.8	Very high	86.4	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-35	177.2	-67.8	0	0	0	0	113.3	D669 C688 S693 H694 P695 P696 M700	D669-C691 PolarHBondContact OD2-SG 3.41Å; C688-C691 HydrophobicContact CB-CB 3.95Å; C691-S693 VanDerWaalsContact C-N 3.3Å; C691-S693 PolarHBondContact O-N 2.79Å; C691-H694 WeakPolarHBondContact CA-O 3.39Å; C691-H694 CarbonylContact O-C 3.57Å; C691-H694 VanDerWaalsContact O-C 3.3Å; C691-P695 VanDerWaalsContact O-CA 3.32Å; C691-P695 WeakPolarHBondContact O-CA 3.04Å; C691-P696 HydrophobicContact CB-CG 4.48Å; C691-M700 HydrophobicContact CB-CE 4.42Å
692	F	92.8	Very high	87.1	Confident	14 Å²	14	55 Å²	55	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-37	176.5	-175.2	-88.2	0	0	0	112.4	S651 P653 L687 C688 Y690 G703 M704	S651-F692 WeakPolarHBondContact O-CD1 3.39Å; P653-F692 HydrophobicContact CB-CE2 4.13Å; P653-F692 HydrophobicContact CB-CZ 4Å; P653-F692 HydrophobicContact CG-CD2 4.31Å; P653-F692 HydrophobicContact CG-CE2 3.52Å; P653-F692 HydrophobicContact CG-CZ 3.74Å; L687-F692 HydrophobicContact CD1-CB 3.85Å; L687-F692 HydrophobicContact CD1-CD2 3.7Å; L687-F692 HydrophobicContact CD1-CE2 4.39Å; L687-F692 HydrophobicContact CD1-CG 3.81Å; C688-F692 VanDerWaalsContact O-CB 3.24Å; C688-F692 WeakPolarHBondContact O-CB 3.07Å; C688-F692 PolarHBondContact O-N 2.98Å; Y690-F692 PolarHBondContact O-N 2.91Å; F692-G703 VanDerWaalsContact CE2-CA 3.42Å; F692-G703 WeakPolarHBondContact CE2-O 3.47Å; F692-G703 VanDerWaalsContact CZ-CA 3.44Å; F692-G703 PolarHBondContact O-N 3Å; F692-M704 WeakPolarHBondContact CD2-O 3.29Å
693	S	89.9	Confident	87.4	Confident	7 Å²	7	56.4 Å²	56.4	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-87	-32	-179.9	-56.5	0	0	0	0	112.6	Y650 S651 P689 Y690 C691 K702	Y650-S693 WeakPolarHBondContact CA-OG 3.23Å; S651-S693 PolarHBondContact N-OG 3.42Å; P689-S693 PolarHBondContact O-N 2.83Å; P689-S693 PolarHBondContact O-OG 3.29Å; Y690-S693 CarbonylContact O-C 3.55Å; Y690-S693 PolarHBondContact O-N 3.37Å; C691-S693 VanDerWaalsContact C-N 3.3Å; C691-S693 PolarHBondContact O-N 2.79Å; S693-K702 WeakPolarHBondContact O-CE 3.44Å
694	H	89.7	Confident	87.5	Confident	90 Å²	90	56.3 Å²	56.3	42%	0.417	27%	0.268	S	S	.	.	S	Bend	trans	-134.7	81.5	-174.6	-50.8	111.5	0	0	0	109.2	Y690 C691 P696	Y690-H694 HydrophobicContact CD1-CB 4.43Å; Y690-H694 AromaticContact CD2-ND1 3.74Å; Y690-H694 HydrophobicContact CE1-CB 4.09Å; Y690-H694 AromaticContact CE2-ND1 3.54Å; Y690-H694 AromaticContact CZ-ND1 3.91Å; Y690-H694 PolarHBondContact O-N 2.96Å; C691-H694 WeakPolarHBondContact CA-O 3.39Å; C691-H694 CarbonylContact O-C 3.57Å; C691-H694 VanDerWaalsContact O-C 3.3Å; H694-P696 WeakPolarHBondContact O-CD 3.43Å
695	P	86.9	Confident	87.5	Confident	41 Å²	41	55.9 Å²	55.9	27%	0.266	27%	0.265	S	S	.	.			trans	-58.5	126.3	-178	-24.4	33.7	0	0	0	112	C691 F697 M700 K701 K702	C691-P695 VanDerWaalsContact O-CA 3.32Å; C691-P695 WeakPolarHBondContact O-CA 3.04Å; P695-F697 VanDerWaalsContact C-N 3.34Å; P695-F697 PolarHBondContact O-N 3.31Å; P695-M700 HydrophobicContact CB-CB 3.9Å; P695-M700 HydrophobicContact CB-CG 3.91Å; P695-M700 WeakPolarHBondContact CB-O 3.3Å; P695-M700 HydrophobicContact CB-SD 4.34Å; P695-M700 WeakPolarHBondContact CG-O 3.13Å; P695-K701 VanDerWaalsContact CG-C 3.5Å; P695-K702 HydrophobicContact CG-CB 4.26Å
696	P	82	Confident	87.6	Confident	63 Å²	63	54.4 Å²	54.4	41%	0.409	26%	0.26	S	S	.	.	S	Bend	trans	-79.9	-12.1	-176.2	29.7	-35.1	0	0	0	114.1	L668 C691 H694 M700	L668-P696 HydrophobicContact CD1-CB 4.44Å; L668-P696 HydrophobicContact CD1-CG 3.95Å; C691-P696 HydrophobicContact CB-CG 4.48Å; H694-P696 WeakPolarHBondContact O-CD 3.43Å; P696-M700 HydrophobicContact CG-SD 4.46Å
697	F	83.8	Confident	87.4	Confident	57 Å²	57	54.9 Å²	54.9	25%	0.25	26%	0.263	C	S	.	.	S	Bend	trans	-121.6	147.3	-175.4	-48.9	-61.3	0	0	0	111.2	L668 P695 D699 M700 H711	L668-F697 HydrophobicContact CD1-CE2 4.2Å; L668-F697 HydrophobicContact CD1-CZ 3.82Å; P695-F697 VanDerWaalsContact C-N 3.34Å; P695-F697 PolarHBondContact O-N 3.31Å; F697-D699 PolarHBondContact O-N 3.02Å; F697-M700 HydrophobicContact CB-CB 4.19Å; F697-M700 HydrophobicContact CD2-SD 4.35Å; F697-M700 PolarHBondContact O-N 3.13Å; F697-H711 HydrophobicContact CE2-CB 4.14Å; F697-H711 HydrophobicContact CZ-CB 3.8Å; F697-H711 AromaticContact CZ-CD2 3.79Å
698	R	77.2	Confident	87.1	Confident	252 Å²	252	56 Å²	56	95%	0.951	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.3	179.9	-73.2	-175.2	176.2	-176.7	-0.8	113	M700	R698-M700 VanDerWaalsContact C-N 3.3Å
699	D	74.8	Confident	86.9	Confident	146 Å²	146	56.2 Å²	56.2	78%	0.781	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5	-177.5	-51.7	-41.5	0	0	0	112.8	F697	F697-D699 PolarHBondContact O-N 3.02Å
700	M	79.5	Confident	86.6	Confident	13 Å²	13	59 Å²	59	6%	0.064	29%	0.286	C	S	.	.			trans	-96	114	176.8	-166.5	178.9	178.2	0	0	109.9	C691 P695 P696 F697 R698 M704	C691-M700 HydrophobicContact CB-CE 4.42Å; P695-M700 HydrophobicContact CB-CB 3.9Å; P695-M700 HydrophobicContact CB-CG 3.91Å; P695-M700 WeakPolarHBondContact CB-O 3.3Å; P695-M700 HydrophobicContact CB-SD 4.34Å; P695-M700 WeakPolarHBondContact CG-O 3.13Å; P696-M700 HydrophobicContact CG-SD 4.46Å; F697-M700 HydrophobicContact CB-CB 4.19Å; F697-M700 HydrophobicContact CD2-SD 4.35Å; F697-M700 PolarHBondContact O-N 3.13Å; R698-M700 VanDerWaalsContact C-N 3.3Å; M700-M704 HydrophobicContact CB-CE 4.35Å; M700-M704 HydrophobicContact CE-CB 3.69Å; M700-M704 VanDerWaalsContact CE-O 3.29Å; M700-M704 WeakPolarHBondContact CE-O 3.49Å; M700-M704 HydrophobicContact CG-CB 3.89Å; M700-M704 HydrophobicContact CG-CE 3.92Å; M700-M704 HydrophobicContact CG-SD 4.03Å
701	K	80	Confident	86.3	Confident	165 Å²	165	57.2 Å²	57.2	72%	0.717	28%	0.281	S	S	*	.			trans	-80.3	155.8	173	-62.1	-177.3	-178.4	178.6	0	111.3	P695 G703 M704	P695-K701 VanDerWaalsContact CG-C 3.5Å; K701-G703 PolarHBondContact O-N 3.09Å; K701-M704 HydrophobicContact CB-SD 3.76Å; K701-M704 HydrophobicContact CG-SD 4.4Å; K701-M704 PolarHBondContact N-SD 3.29Å; K701-M704 WeakPolarHBondContact O-CB 3.37Å; K701-M704 WeakPolarHBondContact O-CG 3.33Å; K701-M704 PolarHBondContact O-N 2.94Å
702	K	83.8	Confident	85.9	Confident	149 Å²	149	61.6 Å²	61.6	65%	0.648	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	133.9	174.4	-169.3	174.4	-176.6	174.4	0	110	S693 P695	S693-K702 WeakPolarHBondContact O-CE 3.44Å; P695-K702 HydrophobicContact CG-CB 4.26Å
703	G	84.4	Confident	85.6	Confident	31 Å²	31	65.2 Å²	65.2	32%	0.32	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	9	-178.3	0	0	0	0	0	115.7	F692 K701	F692-G703 VanDerWaalsContact CE2-CA 3.42Å; F692-G703 WeakPolarHBondContact CE2-O 3.47Å; F692-G703 VanDerWaalsContact CZ-CA 3.44Å; F692-G703 PolarHBondContact O-N 3Å; K701-G703 PolarHBondContact O-N 3.09Å
704	M	87.4	Confident	85.6	Confident	21 Å²	21	65 Å²	65	10%	0.103	33%	0.331	C	S	.	.			trans	-86.7	139.7	175.8	-74.4	170.4	61	0	0	112.1	F692 M700 K701 E708	F692-M704 WeakPolarHBondContact CD2-O 3.29Å; M700-M704 HydrophobicContact CB-CE 4.35Å; M700-M704 HydrophobicContact CE-CB 3.69Å; M700-M704 VanDerWaalsContact CE-O 3.29Å; M700-M704 WeakPolarHBondContact CE-O 3.49Å; M700-M704 HydrophobicContact CG-CB 3.89Å; M700-M704 HydrophobicContact CG-CE 3.92Å; M700-M704 HydrophobicContact CG-SD 4.03Å; K701-M704 HydrophobicContact CB-SD 3.76Å; K701-M704 HydrophobicContact CG-SD 4.4Å; K701-M704 PolarHBondContact N-SD 3.29Å; K701-M704 WeakPolarHBondContact O-CB 3.37Å; K701-M704 WeakPolarHBondContact O-CG 3.33Å; K701-M704 PolarHBondContact O-N 2.94Å; M704-E708 HydrophobicContact CB-CB 4.21Å; M704-E708 HydrophobicContact CE-CB 3.32Å; M704-E708 HydrophobicContact CE-CG 4.08Å; M704-E708 WeakPolarHBondContact CE-OE2 3.14Å; M704-E708 HydrophobicContact CG-CB 4.45Å
705	G	90.4	Very high	85.6	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.01	34%	0.342	C	S	.	.			trans	-84.8	179.4	177.4	0	0	0	0	0	113.5	N707 E708	G705-N707 WeakPolarHBondContact CA-OD1 3.42Å; G705-N707 PolarHBondContact O-N 2.8Å; G705-E708 PolarHBondContact O-N 2.78Å; G705-E708 VanDerWaalsContact O-N 3.09Å
706	C	91.9	Very high	85.8	Confident	6 Å²	6	66.1 Å²	66.1	4%	0.041	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64.8	-26.8	177.1	-69.5	0	0	0	0	112.4	P686 L687 C688 E708 C709 H716 S717	P686-C706 HydrophobicContact CG-CB 4.32Å; P686-C706 VanDerWaalsContact O-CB 3.23Å; P686-C706 WeakPolarHBondContact O-CB 3.46Å; P686-C706 PolarHBondContact O-N 3.06Å; L687-C706 VanDerWaalsContact CA-SG 3.54Å; C688-C706 PolarHBondContact N-SG 3Å; C706-E708 PolarHBondContact O-N 2.87Å; C706-C709 WeakPolarHBondContact O-CB 3.45Å; C706-C709 PolarHBondContact O-N 3.48Å; C706-H716 CarbonylContact C-O 3.57Å; C706-H716 HydrophobicContact CB-CB 3.78Å; C706-H716 CarbonylContact O-C 3.56Å; C706-S717 WeakPolarHBondContact O-CA 3.36Å
707	N	89.4	Confident	86.2	Confident	14 Å²	14	63.1 Å²	63.1	8%	0.075	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-62.5	-4.2	172.9	64.1	-51.3	0	0	0	114.3	Y685 G705 V735 N749	Y685-N707 VanDerWaalsContact CD2-OD1 3.29Å; Y685-N707 WeakPolarHBondContact CD2-OD1 3.39Å; G705-N707 WeakPolarHBondContact CA-OD1 3.42Å; G705-N707 PolarHBondContact O-N 2.8Å; N707-V735 HydrophobicContact CB-CG1 4.13Å; N707-N749 WeakPolarHBondContact ND2-CB 3.48Å
708	E	88.9	Confident	86.4	Confident	23 Å²	23	61.9 Å²	61.9	11%	0.107	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-124.5	9	171.1	-54.9	178.7	-107.9	0	0	112.2	M704 G705 C706 N749 K750	M704-E708 HydrophobicContact CB-CB 4.21Å; M704-E708 HydrophobicContact CE-CB 3.32Å; M704-E708 HydrophobicContact CE-CG 4.08Å; M704-E708 WeakPolarHBondContact CE-OE2 3.14Å; M704-E708 HydrophobicContact CG-CB 4.45Å; G705-E708 PolarHBondContact O-N 2.78Å; G705-E708 VanDerWaalsContact O-N 3.09Å; C706-E708 PolarHBondContact O-N 2.87Å; E708-N749 HydrophobicContact CG-CB 3.89Å; E708-K750 IonicContact OE2-NZ 2.85Å; E708-K750 PolarHBondContact OE2-NZ 2.66Å
709	C	89.9	Confident	86.8	Confident	6 Å²	6	55 Å²	55	4%	0.041	29%	0.291	C	S	.	.			trans	-74.3	139.3	173.4	179.8	0	0	0	0	109.4	C706 H711 S717 L718	C706-C709 WeakPolarHBondContact O-CB 3.45Å; C706-C709 PolarHBondContact O-N 3.48Å; C709-H711 VanDerWaalsContact SG-CB 3.54Å; C709-H711 PolarHBondContact SG-N 2.97Å; C709-H711 VanDerWaalsContact SG-N 3.41Å; C709-S717 CarbonylContact O-C 3.38Å; C709-S717 VanDerWaalsContact O-CA 3.32Å; C709-S717 WeakPolarHBondContact O-CA 3.42Å; C709-S717 WeakPolarHBondContact O-CB 3.21Å; C709-L718 WeakPolarHBondContact O-CB 3.45Å; C709-L718 PolarHBondContact O-N 2.99Å
710	T	88.5	Confident	87.4	Confident	58 Å²	58	50.1 Å²	50.1	36%	0.356	27%	0.268	S	S	.	.			trans	-106.2	9.3	178	51.7	0	0	0	0	112.8	N719	T710-N719 PolarHBondContact O-ND2 2.86Å
711	H	88.1	Confident	88	Confident	36 Å²	36	50.5 Å²	50.5	17%	0.167	27%	0.27	C	S	.	.			trans	-68.9	124.2	-178.7	-163.5	-99.3	0	0	0	111.5	L668 F697 C709 T713 C714 S717	L668-H711 HydrophobicContact CD1-CB 4.08Å; L668-H711 WeakPolarHBondContact CD2-CD2 3.36Å; L668-H711 WeakPolarHBondContact CD2-NE2 3.43Å; L668-H711 HydrophobicContact CG-CB 4.45Å; F697-H711 HydrophobicContact CE2-CB 4.14Å; F697-H711 HydrophobicContact CZ-CB 3.8Å; F697-H711 AromaticContact CZ-CD2 3.79Å; C709-H711 VanDerWaalsContact SG-CB 3.54Å; C709-H711 PolarHBondContact SG-N 2.97Å; C709-H711 VanDerWaalsContact SG-N 3.41Å; H711-T713 VanDerWaalsContact C-N 3.28Å; H711-T713 PolarHBondContact CE1-OG1 3.11Å; H711-T713 PolarHBondContact ND1-N 3.4Å; H711-T713 PolarHBondContact ND1-OG1 3.16Å; H711-T713 PolarHBondContact O-N 3Å; H711-C714 HydrophobicContact CB-CB 4.01Å; H711-C714 PolarHBondContact O-N 2.84Å; H711-C714 VanDerWaalsContact O-N 3.07Å; H711-S717 WeakPolarHBondContact O-CB 3.36Å
712	P	83.6	Confident	88.6	Confident	101 Å²	101	43 Å²	43	66%	0.656	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.6	-170.7	24.3	-34.5	0	0	0	113.9
713	T	87.9	Confident	88.9	Confident	90 Å²	90	36.1 Å²	36.1	55%	0.552	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.6	179.1	71.1	0	0	0	0	113.6	H711 Q715	H711-T713 VanDerWaalsContact C-N 3.28Å; H711-T713 PolarHBondContact CE1-OG1 3.11Å; H711-T713 PolarHBondContact ND1-N 3.4Å; H711-T713 PolarHBondContact ND1-OG1 3.16Å; H711-T713 PolarHBondContact O-N 3Å; T713-Q715 PolarHBondContact O-N 3.31Å
714	C	89.8	Confident	89.1	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.02	20%	0.202	C	C	.	.			trans	-80.5	111.2	177.5	179.9	0	0	0	0	109.6	P667 H711 H716 S717 S720	P667-C714 HydrophobicContact CG-CB 4.03Å; H711-C714 HydrophobicContact CB-CB 4.01Å; H711-C714 PolarHBondContact O-N 2.84Å; H711-C714 VanDerWaalsContact O-N 3.07Å; C714-H716 PolarHBondContact O-N 2.86Å; C714-S717 WeakPolarHBondContact O-CB 3.43Å; C714-S717 PolarHBondContact O-N 3Å; C714-S717 PolarHBondContact O-OG 3.12Å; C714-S720 PolarHBondContact O-OG 2.93Å; C714-S720 VanDerWaalsContact O-OG 3.11Å
715	Q	88.9	Confident	89.2	Confident	140 Å²	140	40.3 Å²	40.3	65%	0.654	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.2	178	-62.7	179.7	-2.6	0	0	114.2	T713	T713-Q715 PolarHBondContact O-N 3.31Å
716	H	91.8	Very high	89	Confident	13 Å²	13	40.6 Å²	40.6	6%	0.06	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	6.8	178.1	-54.8	-46.7	0	0	0	113	Y661 P686 C706 C714 L721	Y661-H716 AromaticContact CE1-CD2 3.92Å; Y661-H716 AromaticContact CE1-CE1 3.75Å; Y661-H716 AromaticContact CE1-NE2 3.37Å; Y661-H716 WeakPolarHBondContact CE1-NE2 3.36Å; Y661-H716 PolarHBondContact OH-CE1 2.82Å; P686-H716 HydrophobicContact CG-CB 3.68Å; C706-H716 CarbonylContact C-O 3.57Å; C706-H716 HydrophobicContact CB-CB 3.78Å; C706-H716 CarbonylContact O-C 3.56Å; C714-H716 PolarHBondContact O-N 2.86Å; H716-L721 HydrophobicContact CB-CD1 4.4Å
717	S	90.4	Very high	88.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-62.7	159.5	177.1	67.3	0	0	0	0	111.3	C706 C709 H711 C714 N719 S720 L721	C706-S717 WeakPolarHBondContact O-CA 3.36Å; C709-S717 CarbonylContact O-C 3.38Å; C709-S717 VanDerWaalsContact O-CA 3.32Å; C709-S717 WeakPolarHBondContact O-CA 3.42Å; C709-S717 WeakPolarHBondContact O-CB 3.21Å; H711-S717 WeakPolarHBondContact O-CB 3.36Å; C714-S717 WeakPolarHBondContact O-CB 3.43Å; C714-S717 PolarHBondContact O-N 3Å; C714-S717 PolarHBondContact O-OG 3.12Å; S717-N719 PolarHBondContact O-N 3.23Å; S717-N719 PolarHBondContact OG-N 3.38Å; S717-S720 PolarHBondContact O-N 2.76Å; S717-S720 VanDerWaalsContact O-N 3.17Å; S717-S720 WeakPolarHBondContact OG-CB 3.43Å; S717-S720 PolarHBondContact OG-N 3.28Å; S717-S720 VanDerWaalsContact OG-N 3.09Å; S717-S720 PolarHBondContact OG-OG 2.82Å; S717-L721 PolarHBondContact O-N 2.82Å
718	L	87.8	Confident	88.3	Confident	31 Å²	31	49.4 Å²	49.4	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-55.1	-38.6	167.7	-177.6	64.7	0	0	0	111.3	C709 S720 G722 I733 V735	C709-L718 WeakPolarHBondContact O-CB 3.45Å; C709-L718 PolarHBondContact O-N 2.99Å; L718-S720 VanDerWaalsContact C-N 3.29Å; L718-S720 PolarHBondContact O-N 3.43Å; L718-G722 VanDerWaalsContact O-CA 3.23Å; L718-G722 WeakPolarHBondContact O-CA 3.44Å; L718-G722 PolarHBondContact O-N 2.94Å; L718-I733 HydrophobicContact CD1-CB 3.92Å; L718-I733 HydrophobicContact CD1-CD1 3.94Å; L718-I733 HydrophobicContact CD1-CG2 3.7Å; L718-I733 HydrophobicContact CD2-CD1 3.74Å; L718-I733 HydrophobicContact CG-CD1 4.23Å; L718-V735 HydrophobicContact CD1-CG2 3.75Å
719	N	85.9	Confident	88.1	Confident	108 Å²	108	49.5 Å²	49.5	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-68.7	-27.5	-179.6	-63	-7.2	0	0	0	112.7	T710 S717	T710-N719 PolarHBondContact O-ND2 2.86Å; S717-N719 PolarHBondContact O-N 3.23Å; S717-N719 PolarHBondContact OG-N 3.38Å
720	S	87.8	Confident	87.8	Confident	43 Å²	43	56.4 Å²	56.4	30%	0.301	31%	0.312	S	S	.	.	H	α-helix	trans	-91.5	-27.8	-179.5	-58	0	0	0	0	114	C714 S717 L718	C714-S720 PolarHBondContact O-OG 2.93Å; C714-S720 VanDerWaalsContact O-OG 3.11Å; S717-S720 PolarHBondContact O-N 2.76Å; S717-S720 VanDerWaalsContact O-N 3.17Å; S717-S720 WeakPolarHBondContact OG-CB 3.43Å; S717-S720 PolarHBondContact OG-N 3.28Å; S717-S720 VanDerWaalsContact OG-N 3.09Å; S717-S720 PolarHBondContact OG-OG 2.82Å; L718-S720 VanDerWaalsContact C-N 3.29Å; L718-S720 PolarHBondContact O-N 3.43Å
721	L	92.1	Very high	87.5	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-122.4	-4.9	-172.4	-63.4	-179.4	0	0	0	114	H716 S717 V735 L736 P738	H716-L721 HydrophobicContact CB-CD1 4.4Å; S717-L721 PolarHBondContact O-N 2.82Å; L721-V735 HydrophobicContact CB-CG1 3.59Å; L721-V735 WeakPolarHBondContact O-CA 3.42Å; L721-L736 HydrophobicContact CB-CB 4.42Å; L721-L736 HydrophobicContact CD2-CB 4.49Å; L721-L736 HydrophobicContact CD2-CD2 4.31Å; L721-L736 PolarHBondContact O-N 3Å; L721-P738 HydrophobicContact CD1-CG 4.11Å
722	G	91.3	Very high	87.5	Confident	9 Å²	9	56.1 Å²	56.1	9%	0.093	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.2	177	0	0	0	0	0	111.3	L718 S777	L718-G722 VanDerWaalsContact O-CA 3.23Å; L718-G722 WeakPolarHBondContact O-CA 3.44Å; L718-G722 PolarHBondContact O-N 2.94Å; G722-S777 PolarHBondContact O-OG 3.46Å; G722-S777 VanDerWaalsContact O-OG 3.05Å
723	I	90.9	Very high	87.8	Confident	3 Å²	3	54 Å²	54	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-53.6	-178.7	-64.5	165.5	0	0	0	110.5	L734 L736 M746 V766 A776 S777 V779 V801 F802	I723-L734 PolarHBondContact N-O 2.73Å; I723-L736 HydrophobicContact CD1-CB 4.08Å; I723-M746 HydrophobicContact CD1-CB 4.2Å; I723-M746 HydrophobicContact CD1-CE 3.94Å; I723-M746 HydrophobicContact CD1-SD 3.8Å; I723-V766 HydrophobicContact CD1-CG2 4.45Å; I723-V766 HydrophobicContact CG1-CG2 3.94Å; I723-A776 CarbonylContact O-C 3.6Å; I723-A776 WeakPolarHBondContact O-CA 3.41Å; I723-A776 WeakPolarHBondContact O-CB 3.36Å; I723-S777 PolarHBondContact O-N 2.95Å; I723-V779 HydrophobicContact CD1-CG2 4.09Å; I723-V779 HydrophobicContact CG1-CG2 4.13Å; I723-V779 HydrophobicContact CG2-CG2 4.27Å; I723-V801 HydrophobicContact CG2-CG2 4.37Å; I723-F802 HydrophobicContact CG2-CE2 4.23Å
724	G	88.5	Confident	88	Confident	13 Å²	13	49.8 Å²	49.8	13%	0.134	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	174.9	-176.6	0	0	0	0	0	113	L734	G724-L734 PolarHBondContact O-N 2.88Å
725	Q	88.7	Confident	88.1	Confident	128 Å²	128	50 Å²	50	60%	0.598	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	143.7	179.7	-167.1	174.6	12.4	0	0	111.3	D730	Q725-D730 PolarHBondContact NE2-O 3.45Å
726	C	87.5	Confident	88.3	Confident	7 Å²	7	43.7 Å²	43.7	5%	0.047	25%	0.246	C	C	.	.			trans	-72.8	132.4	177.5	-176.4	0	0	0	0	111.2	E728 G732 L734 C748	C726-E728 PolarHBondContact O-N 2.72Å; C726-G732 WeakPolarHBondContact CB-O 3.38Å; C726-G732 PolarHBondContact N-O 3.37Å; C726-L734 HydrophobicContact CB-CG 4.36Å; C726-C748 HydrophobicContact CB-CB 4.16Å; C726-C748 VanDerWaalsContact SG-SG 3.69Å
727	V	82.4	Confident	88.2	Confident	92 Å²	92	43.4 Å²	43.4	56%	0.558	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.2	-179.9	-57.3	0	0	0	0	114.7	L813	V727-L813 HydrophobicContact CG2-CD1 3.64Å
728	E	83.3	Confident	87.8	Confident	113 Å²	113	45 Å²	45	53%	0.528	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-7.3	-176.9	-64.6	-67.8	159.8	0	0	113.5	C726 V753	C726-E728 PolarHBondContact O-N 2.72Å; E728-V753 HydrophobicContact CB-CG2 3.66Å; E728-V753 HydrophobicContact CG-CG2 3.43Å; E728-V753 VanDerWaalsContact CG-CG2 3.43Å
729	C	86.1	Confident	87.6	Confident	24 Å²	24	45.7 Å²	45.7	16%	0.162	26%	0.26	C	S	.	.			trans	-153.7	136.2	176.7	71.7	0	0	0	0	113.7	S731 G732 C751	C729-S731 VanDerWaalsContact C-N 3.25Å; C729-S731 PolarHBondContact O-N 2.61Å; C729-S731 VanDerWaalsContact O-N 3.17Å; C729-G732 PolarHBondContact O-N 2.76Å; C729-G732 VanDerWaalsContact SG-CA 3.59Å; C729-C751 HydrophobicContact CB-CB 4.15Å
730	D	82.4	Confident	87.6	Confident	151 Å²	151	41.2 Å²	41.2	81%	0.807	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.5	-171.6	-55.1	-25.2	0	0	0	113.8	Q725	Q725-D730 PolarHBondContact NE2-O 3.45Å
731	S	83.2	Confident	87.2	Confident	88 Å²	88	40.9 Å²	40.9	62%	0.615	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.7	-176	68.5	0	0	0	0	115	C729 K750	C729-S731 VanDerWaalsContact C-N 3.25Å; C729-S731 PolarHBondContact O-N 2.61Å; C729-S731 VanDerWaalsContact O-N 3.17Å; S731-K750 WeakPolarHBondContact O-CG 3.37Å
732	G	87.5	Confident	86.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.266	C	S	.	.			trans	-97.7	144.6	-173	0	0	0	0	0	113.4	C726 C729	C726-G732 WeakPolarHBondContact CB-O 3.38Å; C726-G732 PolarHBondContact N-O 3.37Å; C729-G732 PolarHBondContact O-N 2.76Å; C729-G732 VanDerWaalsContact SG-CA 3.59Å
733	I	90.8	Very high	85.9	Confident	57 Å²	57	51.2 Å²	51.2	29%	0.292	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.6	171.1	-63	164.5	0	0	0	108.4	L718 V735 C748 N749	L718-I733 HydrophobicContact CD1-CB 3.92Å; L718-I733 HydrophobicContact CD1-CD1 3.94Å; L718-I733 HydrophobicContact CD1-CG2 3.7Å; L718-I733 HydrophobicContact CD2-CD1 3.74Å; L718-I733 HydrophobicContact CG-CD1 4.23Å; I733-V735 HydrophobicContact CG2-CG2 4.41Å; I733-C748 WeakPolarHBondContact O-CA 3.32Å; I733-N749 PolarHBondContact N-OD1 2.94Å; I733-N749 PolarHBondContact O-N 2.81Å; I733-N749 PolarHBondContact O-OD1 2.97Å
734	L	91.3	Very high	85.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.6	172.8	-67.3	169.4	0	0	0	109.1	I723 G724 C726 M746 C748 V753 V755 F802	I723-L734 PolarHBondContact N-O 2.73Å; G724-L734 PolarHBondContact O-N 2.88Å; C726-L734 HydrophobicContact CB-CG 4.36Å; L734-M746 HydrophobicContact CB-CG 4.39Å; L734-M746 HydrophobicContact CB-SD 3.71Å; L734-M746 HydrophobicContact CD1-SD 4.04Å; L734-M746 HydrophobicContact CG-SD 4.3Å; L734-C748 HydrophobicContact CD2-CB 4.09Å; L734-V753 HydrophobicContact CD2-CG1 4.07Å; L734-V755 HydrophobicContact CD2-CG2 4.32Å; L734-F802 HydrophobicContact CD1-CE1 4.06Å; L734-F802 HydrophobicContact CD1-CZ 3.61Å
735	V	92.7	Very high	85.8	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.8	-176.5	-173.7	0	0	0	0	109.2	N707 L718 L721 I733 D737 M746 A747 N749	N707-V735 HydrophobicContact CB-CG1 4.13Å; L718-V735 HydrophobicContact CD1-CG2 3.75Å; L721-V735 HydrophobicContact CB-CG1 3.59Å; L721-V735 WeakPolarHBondContact O-CA 3.42Å; I733-V735 HydrophobicContact CG2-CG2 4.41Å; V735-D737 PolarHBondContact O-N 2.94Å; V735-M746 CarbonylContact O-C 3.11Å; V735-M746 WeakPolarHBondContact O-CA 3.48Å; V735-M746 WeakPolarHBondContact O-CB 3.15Å; V735-A747 PolarHBondContact N-O 2.65Å; V735-A747 PolarHBondContact O-N 2.76Å; V735-N749 HydrophobicContact CG2-CB 4.33Å
736	L	91.5	Very high	85.8	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131.8	174.7	177.3	66.4	0	0	0	110.4	L721 I723 P738 W744 F757 I764 V766	L721-L736 HydrophobicContact CB-CB 4.42Å; L721-L736 HydrophobicContact CD2-CB 4.49Å; L721-L736 HydrophobicContact CD2-CD2 4.31Å; L721-L736 PolarHBondContact O-N 3Å; I723-L736 HydrophobicContact CD1-CB 4.08Å; L736-P738 WeakPolarHBondContact O-CD 3.43Å; L736-W744 HydrophobicContact CD1-CE3 4.39Å; L736-F757 HydrophobicContact CD1-CZ 3.71Å; L736-I764 HydrophobicContact CD1-CG2 4.07Å; L736-I764 HydrophobicContact CD2-CG2 4.06Å; L736-V766 HydrophobicContact CB-CG2 4.06Å; L736-V766 HydrophobicContact CD2-CG2 3.88Å
737	D	89.4	Confident	86	Confident	6 Å²	6	47 Å²	47	3%	0.032	27%	0.269	C	S	.	.			trans	-91.8	102.3	170.9	-179.6	-3.8	0	0	0	109.8	S684 V735 T739 S740 R745	S684-D737 PolarHBondContact OG-OD2 3.41Å; V735-D737 PolarHBondContact O-N 2.94Å; D737-T739 PolarHBondContact O-N 2.94Å; D737-T739 WeakPolarHBondContact OD1-CB 3.45Å; D737-T739 PolarHBondContact OD1-N 2.82Å; D737-T739 PolarHBondContact OD1-OG1 2.88Å; D737-S740 WeakPolarHBondContact O-CB 3.39Å; D737-S740 PolarHBondContact O-N 3.48Å; D737-S740 PolarHBondContact O-OG 3.2Å; D737-R745 HydrophobicContact CB-CG 3.85Å; D737-R745 WeakPolarHBondContact CB-O 3.16Å; D737-R745 PolarHBondContact N-O 3.4Å; D737-R745 IonicContact OD2-CZ 3.73Å; D737-R745 VanDerWaalsContact OD2-CZ 3.23Å; D737-R745 IonicContact OD2-NE 2.99Å; D737-R745 PolarHBondContact OD2-NE 2.98Å; D737-R745 IonicContact OD2-NH2 3.35Å; D737-R745 PolarHBondContact OD2-NH2 3.29Å
738	P	83.7	Confident	86.4	Confident	33 Å²	33	42.7 Å²	42.7	21%	0.214	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-3.2	-176.2	31.8	-37.5	0	0	0	113.1	L721 L736	L721-P738 HydrophobicContact CD1-CG 4.11Å; L736-P738 WeakPolarHBondContact O-CD 3.43Å
739	T	83.8	Confident	86.6	Confident	47 Å²	47	38.2 Å²	38.2	29%	0.288	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.8	179.8	72.9	0	0	0	0	113.5	Y661 L675 S684 D737	Y661-T739 HydrophobicContact CD2-CG2 4.36Å; Y661-T739 HydrophobicContact CE2-CG2 3.53Å; L675-T739 HydrophobicContact CD1-CG2 3.89Å; L675-T739 HydrophobicContact CD2-CG2 4.15Å; S684-T739 PolarHBondContact OG-OG1 3.06Å; D737-T739 PolarHBondContact O-N 2.94Å; D737-T739 WeakPolarHBondContact OD1-CB 3.45Å; D737-T739 PolarHBondContact OD1-N 2.82Å; D737-T739 PolarHBondContact OD1-OG1 2.88Å
740	S	85.1	Confident	86.6	Confident	14 Å²	14	41.9 Å²	41.9	10%	0.098	24%	0.235	C	C	.	.			trans	-86.4	-14.4	-171.3	61.8	0	0	0	0	115.2	D737 K743 W744 R745	D737-S740 WeakPolarHBondContact O-CB 3.39Å; D737-S740 PolarHBondContact O-N 3.48Å; D737-S740 PolarHBondContact O-OG 3.2Å; S740-K743 CarbonylContact O-C 3.45Å; S740-K743 WeakPolarHBondContact O-CA 3.4Å; S740-K743 PolarHBondContact O-N 2.93Å; S740-W744 WeakPolarHBondContact OG-CA 3.47Å; S740-R745 VanDerWaalsContact CB-CG 3.5Å; S740-R745 PolarHBondContact OG-N 3.15Å
741	G	79.8	Confident	86.8	Confident	36 Å²	36	36.2 Å²	36.2	37%	0.371	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	139.3	177	0	0	0	0	0	112.6
742	P	73	Confident	86.9	Confident	98 Å²	98	35.8 Å²	35.8	64%	0.636	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.1	5.3	7.7	36.1	-37.1	0	0	0	114.9
743	K	82.4	Confident	86.9	Confident	149 Å²	149	35.9 Å²	35.9	65%	0.648	20%	0.198	S	C	*	.	S	Bend	trans	-106.9	72	177.4	-67.9	-169.3	177	-164.9	0	109.5	S740	S740-K743 CarbonylContact O-C 3.45Å; S740-K743 WeakPolarHBondContact O-CA 3.4Å; S740-K743 PolarHBondContact O-N 2.93Å
744	W	87.4	Confident	86.7	Confident	27 Å²	27	33.2 Å²	33.2	10%	0.102	19%	0.185	C	C	.	.			trans	-61.3	144.7	-168.2	-64.4	99.7	0	0	0	113	L736 S740 F757 A761 I764	L736-W744 HydrophobicContact CD1-CE3 4.39Å; S740-W744 WeakPolarHBondContact OG-CA 3.47Å; W744-F757 WeakPolarHBondContact CB-O 3.34Å; W744-F757 PolarHBondContact O-N 3.07Å; W744-F757 VanDerWaalsContact O-N 3.09Å; W744-A761 PolarHBondContact NE1-O 3.35Å; W744-I764 HydrophobicContact CB-CD1 3.33Å; W744-I764 VanDerWaalsContact CD1-CD1 3.44Å; W744-I764 HydrophobicContact CD2-CB 4.18Å; W744-I764 HydrophobicContact CD2-CD1 3.42Å; W744-I764 VanDerWaalsContact CD2-CD1 3.42Å; W744-I764 HydrophobicContact CD2-CG1 3.82Å; W744-I764 HydrophobicContact CE3-CB 4.2Å; W744-I764 HydrophobicContact CE3-CD1 4Å; W744-I764 HydrophobicContact CE3-CG1 4.34Å; W744-I764 HydrophobicContact CG-CD1 3.11Å; W744-I764 HydrophobicContact CG-CG1 3.95Å; W744-I764 HydrophobicContact CH2-CB 4.41Å; W744-I764 HydrophobicContact CZ2-CB 4.4Å; W744-I764 HydrophobicContact CZ2-CG1 4.34Å; W744-I764 HydrophobicContact CZ3-CB 4.31Å
745	R	89.3	Confident	86.4	Confident	23 Å²	23	33.3 Å²	33.3	9%	0.087	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159	179.2	75.3	-156.7	175.1	167.4	-0.3	111.9	G682 S684 D737 S740 V754 V755 F757	G682-R745 VanDerWaalsContact O-CZ 3.26Å; G682-R745 PolarHBondContact O-NH1 2.92Å; G682-R745 PolarHBondContact O-NH2 3.09Å; S684-R745 PolarHBondContact OG-NH2 3.05Å; D737-R745 HydrophobicContact CB-CG 3.85Å; D737-R745 WeakPolarHBondContact CB-O 3.16Å; D737-R745 PolarHBondContact N-O 3.4Å; D737-R745 IonicContact OD2-CZ 3.73Å; D737-R745 VanDerWaalsContact OD2-CZ 3.23Å; D737-R745 IonicContact OD2-NE 2.99Å; D737-R745 PolarHBondContact OD2-NE 2.98Å; D737-R745 IonicContact OD2-NH2 3.35Å; D737-R745 PolarHBondContact OD2-NH2 3.29Å; S740-R745 VanDerWaalsContact CB-CG 3.5Å; S740-R745 PolarHBondContact OG-N 3.15Å; R745-V754 HydrophobicContact CB-CG1 4.14Å; R745-V754 HydrophobicContact CG-CG1 4.33Å; R745-V755 CarbonylContact C-O 3.21Å; R745-V755 WeakPolarHBondContact CA-O 2.93Å; R745-V755 WeakPolarHBondContact CB-O 3.12Å; R745-F757 VanDerWaalsContact C-CE1 3.43Å
746	M	90.2	Very high	86.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.2	166	62.2	178	105.5	0	0	108	I723 L734 V735 V754 V755 F757 V801	I723-M746 HydrophobicContact CD1-CB 4.2Å; I723-M746 HydrophobicContact CD1-CE 3.94Å; I723-M746 HydrophobicContact CD1-SD 3.8Å; L734-M746 HydrophobicContact CB-CG 4.39Å; L734-M746 HydrophobicContact CB-SD 3.71Å; L734-M746 HydrophobicContact CD1-SD 4.04Å; L734-M746 HydrophobicContact CG-SD 4.3Å; V735-M746 CarbonylContact O-C 3.11Å; V735-M746 WeakPolarHBondContact O-CA 3.48Å; V735-M746 WeakPolarHBondContact O-CB 3.15Å; M746-V754 CarbonylContact O-C 3.5Å; M746-V754 WeakPolarHBondContact O-CA 2.94Å; M746-V755 HydrophobicContact CE-CG1 4.37Å; M746-V755 HydrophobicContact CG-CB 3.68Å; M746-V755 HydrophobicContact CG-CG1 4.45Å; M746-V755 HydrophobicContact CG-CG2 4.3Å; M746-V755 PolarHBondContact N-O 3.19Å; M746-V755 PolarHBondContact O-N 2.89Å; M746-V755 HydrophobicContact SD-CB 4.39Å; M746-F757 HydrophobicContact CB-CE1 3.73Å; M746-F757 HydrophobicContact CB-CZ 4.43Å; M746-F757 HydrophobicContact CE-CD1 3.6Å; M746-F757 HydrophobicContact CE-CE1 3.37Å; M746-F757 HydrophobicContact CE-CG 4.28Å; M746-F757 HydrophobicContact CE-CZ 3.87Å; M746-F757 HydrophobicContact CG-CD1 4.18Å; M746-F757 HydrophobicContact CG-CE1 3.65Å; M746-F757 HydrophobicContact SD-CE1 4.28Å; M746-V801 HydrophobicContact CE-CB 4.1Å; M746-V801 HydrophobicContact CE-CG1 3.57Å; M746-V801 HydrophobicContact CE-CG2 4.12Å
747	A	90.3	Very high	85.7	Confident	13 Å²	13	34.8 Å²	34.8	11%	0.107	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.1	179.1	0	0	0	0	0	110.4	K683 V735 N749 V753 V754	K683-A747 HydrophobicContact CD-CB 4.35Å; K683-A747 HydrophobicContact CG-CB 4.02Å; V735-A747 PolarHBondContact N-O 2.65Å; V735-A747 PolarHBondContact O-N 2.76Å; A747-N749 PolarHBondContact O-N 2.83Å; A747-V753 WeakPolarHBondContact CA-O 3.11Å; A747-V754 HydrophobicContact CB-CG2 4.16Å
748	C	90.4	Very high	85.1	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.6	171	176.3	0	0	0	0	109.5	K683 C726 I733 L734 K750 C751 V753	K683-C748 WeakPolarHBondContact CE-O 3.43Å; K683-C748 PolarHBondContact NZ-O 2.79Å; C726-C748 HydrophobicContact CB-CB 4.16Å; C726-C748 VanDerWaalsContact SG-SG 3.69Å; I733-C748 WeakPolarHBondContact O-CA 3.32Å; L734-C748 HydrophobicContact CD2-CB 4.09Å; C748-K750 VanDerWaalsContact C-N 3.27Å; C748-K750 PolarHBondContact O-N 2.88Å; C748-K750 PolarHBondContact SG-N 3.09Å; C748-C751 PolarHBondContact SG-N 2.95Å; C748-V753 HydrophobicContact CB-CB 4.04Å; C748-V753 PolarHBondContact N-O 2.86Å
749	N	89	Confident	84.5	Confident	19 Å²	19	38.6 Å²	38.6	10%	0.102	21%	0.206	C	C	.	.	S	Bend	trans	-70.7	-18.9	176.1	63.2	-0.3	0	0	0	113.6	N707 E708 I733 V735 A747	N707-N749 WeakPolarHBondContact ND2-CB 3.48Å; E708-N749 HydrophobicContact CG-CB 3.89Å; I733-N749 PolarHBondContact N-OD1 2.94Å; I733-N749 PolarHBondContact O-N 2.81Å; I733-N749 PolarHBondContact O-OD1 2.97Å; V735-N749 HydrophobicContact CG2-CB 4.33Å; A747-N749 PolarHBondContact O-N 2.83Å
750	K	86.3	Confident	84.1	Confident	101 Å²	101	40.5 Å²	40.5	44%	0.439	21%	0.212	S	C	.	.	S	Bend	trans	-103.1	-63.1	177.4	-58.2	-56.1	-173.7	-172.4	0	115.4	E708 S731 C748	E708-K750 IonicContact OE2-NZ 2.85Å; E708-K750 PolarHBondContact OE2-NZ 2.66Å; S731-K750 WeakPolarHBondContact O-CG 3.37Å; C748-K750 VanDerWaalsContact C-N 3.27Å; C748-K750 PolarHBondContact O-N 2.88Å; C748-K750 PolarHBondContact SG-N 3.09Å
751	C	86.4	Confident	84	Confident	32 Å²	32	39.9 Å²	39.9	22%	0.216	21%	0.208	C	C	.	.	S	Bend	trans	-94.4	174.7	-176.6	77.4	0	0	0	0	113.4	K683 C729 C748 V753	K683-C751 WeakPolarHBondContact CE-O 3.23Å; K683-C751 PolarHBondContact NZ-O 2.75Å; C729-C751 HydrophobicContact CB-CB 4.15Å; C748-C751 PolarHBondContact SG-N 2.95Å; C751-V753 PolarHBondContact O-N 3.05Å; C751-V753 VanDerWaalsContact O-N 3.09Å; C751-V753 VanDerWaalsContact SG-CG2 3.51Å
752	N	84.3	Confident	84.1	Confident	79 Å²	79	43.7 Å²	43.7	42%	0.422	22%	0.215	S	C	.	.	S	Bend	trans	-78.9	15.8	-171.5	-69.2	-32.3	0	0	0	116.7	A816	N752-A816 HydrophobicContact CB-CB 4.46Å; N752-A816 WeakPolarHBondContact O-CB 3.3Å; N752-A816 PolarHBondContact O-N 3.5Å
753	V	87.3	Confident	84.7	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.9	179.3	172.5	0	0	0	0	111.7	E728 L734 A747 C748 C751 V755 L813	E728-V753 HydrophobicContact CB-CG2 3.66Å; E728-V753 HydrophobicContact CG-CG2 3.43Å; E728-V753 VanDerWaalsContact CG-CG2 3.43Å; L734-V753 HydrophobicContact CD2-CG1 4.07Å; A747-V753 WeakPolarHBondContact CA-O 3.11Å; C748-V753 HydrophobicContact CB-CB 4.04Å; C748-V753 PolarHBondContact N-O 2.86Å; C751-V753 PolarHBondContact O-N 3.05Å; C751-V753 VanDerWaalsContact O-N 3.09Å; C751-V753 VanDerWaalsContact SG-CG2 3.51Å; V753-V755 HydrophobicContact CG1-CG2 3.98Å; V753-L813 HydrophobicContact CG1-CD1 4.28Å; V753-L813 HydrophobicContact CG1-CG 4.5Å
754	V	86.4	Confident	85.1	Confident	1 Å²	1	37 Å²	37	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.7	170.1	-179.7	0	0	0	0	108.2	K683 R745 M746 A747 K814 A816	K683-V754 HydrophobicContact CG-CG2 3.96Å; R745-V754 HydrophobicContact CB-CG1 4.14Å; R745-V754 HydrophobicContact CG-CG1 4.33Å; M746-V754 CarbonylContact O-C 3.5Å; M746-V754 WeakPolarHBondContact O-CA 2.94Å; A747-V754 HydrophobicContact CB-CG2 4.16Å; V754-K814 CarbonylContact C-O 3.56Å; V754-K814 PolarHBondContact N-O 2.74Å; V754-K814 CarbonylContact O-C 3.59Å; V754-K814 WeakPolarHBondContact O-CA 3.48Å; V754-K814 PolarHBondContact O-N 3.07Å; V754-A816 HydrophobicContact CG2-CB 4.14Å
755	V	86.6	Confident	85.1	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.6	178.1	-177	0	0	0	0	108.1	L734 R745 M746 V753 F757 V811 L813	L734-V755 HydrophobicContact CD2-CG2 4.32Å; R745-V755 CarbonylContact C-O 3.21Å; R745-V755 WeakPolarHBondContact CA-O 2.93Å; R745-V755 WeakPolarHBondContact CB-O 3.12Å; M746-V755 HydrophobicContact CE-CG1 4.37Å; M746-V755 HydrophobicContact CG-CB 3.68Å; M746-V755 HydrophobicContact CG-CG1 4.45Å; M746-V755 HydrophobicContact CG-CG2 4.3Å; M746-V755 PolarHBondContact N-O 3.19Å; M746-V755 PolarHBondContact O-N 2.89Å; M746-V755 HydrophobicContact SD-CB 4.39Å; V753-V755 HydrophobicContact CG1-CG2 3.98Å; V755-F757 HydrophobicContact CG1-CD1 4.44Å; V755-V811 HydrophobicContact CG1-CG1 3.4Å; V755-V811 VanDerWaalsContact CG1-CG1 3.4Å; V755-L813 HydrophobicContact CG2-CD1 4.1Å; V755-L813 HydrophobicContact CG2-CG 4.28Å
756	H	85.3	Confident	85.2	Confident	42 Å²	42	41 Å²	41	19%	0.194	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.6	173	-73.7	-88.5	0	0	0	109.1	E812	H756-E812 PolarHBondContact N-O 2.75Å; H756-E812 PolarHBondContact O-N 2.93Å
757	F	82.8	Confident	85.1	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	159	-178.7	60.5	-86.8	0	0	0	112.1	L736 W744 R745 M746 V755 I764 V810 V811	L736-F757 HydrophobicContact CD1-CZ 3.71Å; W744-F757 WeakPolarHBondContact CB-O 3.34Å; W744-F757 PolarHBondContact O-N 3.07Å; W744-F757 VanDerWaalsContact O-N 3.09Å; R745-F757 VanDerWaalsContact C-CE1 3.43Å; M746-F757 HydrophobicContact CB-CE1 3.73Å; M746-F757 HydrophobicContact CB-CZ 4.43Å; M746-F757 HydrophobicContact CE-CD1 3.6Å; M746-F757 HydrophobicContact CE-CE1 3.37Å; M746-F757 HydrophobicContact CE-CG 4.28Å; M746-F757 HydrophobicContact CE-CZ 3.87Å; M746-F757 HydrophobicContact CG-CD1 4.18Å; M746-F757 HydrophobicContact CG-CE1 3.65Å; M746-F757 HydrophobicContact SD-CE1 4.28Å; V755-F757 HydrophobicContact CG1-CD1 4.44Å; F757-I764 HydrophobicContact CD2-CD1 4.28Å; F757-I764 HydrophobicContact CE2-CD1 3.74Å; F757-I764 HydrophobicContact CE2-CG2 4.37Å; F757-V810 WeakPolarHBondContact CA-O 3.4Å; F757-V811 HydrophobicContact CB-CB 4.35Å; F757-V811 HydrophobicContact CB-CG1 4.48Å; F757-V811 HydrophobicContact CB-CG2 3.75Å
758	F	78.4	Confident	84.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.251	C	S	.	.			trans	52.9	58.9	176.5	-48.4	-28.9	0	0	0	113.6	H760 A761 I764 V779 V781 F783 V801 F807 V810	F758-H760 PolarHBondContact O-N 2.8Å; F758-A761 HydrophobicContact CB-CB 3.83Å; F758-A761 WeakPolarHBondContact O-CB 3.32Å; F758-A761 PolarHBondContact O-N 3.01Å; F758-A761 VanDerWaalsContact O-N 3.15Å; F758-I764 HydrophobicContact CB-CD1 4.15Å; F758-I764 HydrophobicContact CD2-CD1 3.69Å; F758-I764 HydrophobicContact CD2-CG1 4.35Å; F758-I764 HydrophobicContact CG-CD1 4.42Å; F758-V779 HydrophobicContact CE2-CG1 3.96Å; F758-V781 HydrophobicContact CB-CG1 4.19Å; F758-V781 HydrophobicContact CD2-CB 4.14Å; F758-V781 HydrophobicContact CD2-CG1 3.79Å; F758-V781 HydrophobicContact CD2-CG2 3.19Å; F758-V781 HydrophobicContact CE2-CB 4.47Å; F758-V781 HydrophobicContact CE2-CG2 3.17Å; F758-V781 HydrophobicContact CG-CG1 4.07Å; F758-V781 HydrophobicContact CG-CG2 4.1Å; F758-V781 HydrophobicContact CZ-CG2 4Å; F758-F783 HydrophobicContact CB-CE1 3.79Å; F758-F783 HydrophobicContact CB-CZ 3.99Å; F758-F783 HydrophobicContact CD1-CE1 4.46Å; F758-F783 AromaticContact CD1-CZ 3.93Å; F758-F783 HydrophobicContact CD1-CZ 3.93Å; F758-F783 HydrophobicContact CG-CE1 4.3Å; F758-F783 AromaticContact CG-CZ 3.98Å; F758-F783 HydrophobicContact CG-CZ 3.98Å; F758-V801 HydrophobicContact CZ-CG1 4.48Å; F758-V801 HydrophobicContact CZ-CG2 4.3Å; F758-F807 HydrophobicContact CD1-CD1 4.14Å; F758-F807 HydrophobicContact CD1-CE1 4.33Å; F758-F807 HydrophobicContact CE1-CB 3.78Å; F758-F807 AromaticContact CE1-CD1 3.24Å; F758-F807 HydrophobicContact CE1-CD1 3.24Å; F758-F807 HydrophobicContact CE1-CD2 4.01Å; F758-F807 AromaticContact CE1-CE1 3.66Å; F758-F807 HydrophobicContact CE1-CE1 3.66Å; F758-F807 HydrophobicContact CE1-CE2 4.37Å; F758-F807 AromaticContact CE1-CG 3.42Å; F758-F807 HydrophobicContact CE1-CG 3.42Å; F758-F807 VanDerWaalsContact CE1-CG 3.42Å; F758-F807 HydrophobicContact CE1-CZ 4.21Å; F758-F807 HydrophobicContact CE2-CE1 4.42Å; F758-F807 HydrophobicContact CE2-CE2 4.29Å; F758-F807 HydrophobicContact CE2-CZ 4.24Å; F758-F807 HydrophobicContact CZ-CB 4.03Å; F758-F807 AromaticContact CZ-CD1 3.59Å; F758-F807 HydrophobicContact CZ-CD1 3.59Å; F758-F807 AromaticContact CZ-CD2 3.52Å; F758-F807 HydrophobicContact CZ-CD2 3.52Å; F758-F807 AromaticContact CZ-CE1 3.74Å; F758-F807 HydrophobicContact CZ-CE1 3.74Å; F758-F807 AromaticContact CZ-CE2 3.69Å; F758-F807 HydrophobicContact CZ-CE2 3.69Å; F758-F807 AromaticContact CZ-CG 3.45Å; F758-F807 HydrophobicContact CZ-CG 3.45Å; F758-F807 VanDerWaalsContact CZ-CG 3.45Å; F758-F807 AromaticContact CZ-CZ 3.8Å; F758-F807 HydrophobicContact CZ-CZ 3.8Å; F758-V810 HydrophobicContact CD1-CB 4.4Å; F758-V810 HydrophobicContact CD1-CG2 3.55Å; F758-V810 HydrophobicContact CE1-CG2 3.66Å; F758-V810 PolarHBondContact N-O 3.04Å
759	E	70.2	Confident	84.6	Confident	119 Å²	119	57.9 Å²	57.9	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132.9	168.2	-63.1	-157.1	151.8	0	0	109.5
760	H	74.9	Confident	84.7	Confident	87 Å²	87	60.1 Å²	60.1	40%	0.403	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	6.5	-176.1	-42.4	-53.2	0	0	0	117	F758 N784 R787	F758-H760 PolarHBondContact O-N 2.8Å; H760-N784 PolarHBondContact O-N 3.07Å; H760-N784 VanDerWaalsContact O-N 3.17Å; H760-R787 HydrophobicContact CB-CB 4.12Å
761	A	83.4	Confident	84.8	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.5	165.7	0	0	0	0	0	111.9	W744 F758 I764 V781 F783	W744-A761 PolarHBondContact NE1-O 3.35Å; F758-A761 HydrophobicContact CB-CB 3.83Å; F758-A761 WeakPolarHBondContact O-CB 3.32Å; F758-A761 PolarHBondContact O-N 3.01Å; F758-A761 VanDerWaalsContact O-N 3.15Å; A761-I764 HydrophobicContact CB-CD1 4.29Å; A761-I764 HydrophobicContact CB-CG1 4.11Å; A761-V781 HydrophobicContact CB-CG1 3.58Å; A761-F783 HydrophobicContact CB-CD1 4.02Å; A761-F783 HydrophobicContact CB-CE1 4.1Å
762	H	82.3	Confident	84.8	Confident	115 Å²	115	62.5 Å²	62.5	53%	0.532	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-24.8	177.1	80.6	-101.9	0	0	0	112.4	D782 F783	H762-D782 VanDerWaalsContact CE1-CB 3.4Å; H762-D782 WeakPolarHBondContact CE1-CB 3.46Å; H762-D782 IonicContact CE1-OD1 3.1Å; H762-D782 PolarHBondContact CE1-OD1 3.33Å; H762-D782 IonicContact CE1-OD2 3.21Å; H762-D782 PolarHBondContact CE1-OD2 3.5Å; H762-D782 PolarHBondContact N-O 3.39Å; H762-D782 PolarHBondContact ND1-O 3.01Å; H762-D782 IonicContact ND1-OD1 3.65Å; H762-D782 IonicContact NE2-OD2 3.55Å; H762-F783 PolarHBondContact ND1-O 3.47Å
763	K	85.9	Confident	84.8	Confident	98 Å²	98	62.6 Å²	62.6	43%	0.426	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139.2	177.7	-169.5	-178.5	175.3	-162.6	0	110.8	Q765 D782	K763-Q765 VanDerWaalsContact CE-CD 3.41Å; K763-D782 HydrophobicContact CB-CB 4.15Å; K763-D782 PolarHBondContact N-O 2.94Å; K763-D782 PolarHBondContact O-N 3.17Å
764	I	89.1	Confident	84.6	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.046	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.7	173.5	-61.6	-176.6	0	0	0	109	L736 W744 F757 F758 A761 V779 A780 V781	L736-I764 HydrophobicContact CD1-CG2 4.07Å; L736-I764 HydrophobicContact CD2-CG2 4.06Å; W744-I764 HydrophobicContact CB-CD1 3.33Å; W744-I764 VanDerWaalsContact CD1-CD1 3.44Å; W744-I764 HydrophobicContact CD2-CB 4.18Å; W744-I764 HydrophobicContact CD2-CD1 3.42Å; W744-I764 VanDerWaalsContact CD2-CD1 3.42Å; W744-I764 HydrophobicContact CD2-CG1 3.82Å; W744-I764 HydrophobicContact CE3-CB 4.2Å; W744-I764 HydrophobicContact CE3-CD1 4Å; W744-I764 HydrophobicContact CE3-CG1 4.34Å; W744-I764 HydrophobicContact CG-CD1 3.11Å; W744-I764 HydrophobicContact CG-CG1 3.95Å; W744-I764 HydrophobicContact CH2-CB 4.41Å; W744-I764 HydrophobicContact CZ2-CB 4.4Å; W744-I764 HydrophobicContact CZ2-CG1 4.34Å; W744-I764 HydrophobicContact CZ3-CB 4.31Å; F757-I764 HydrophobicContact CD2-CD1 4.28Å; F757-I764 HydrophobicContact CE2-CD1 3.74Å; F757-I764 HydrophobicContact CE2-CG2 4.37Å; F758-I764 HydrophobicContact CB-CD1 4.15Å; F758-I764 HydrophobicContact CD2-CD1 3.69Å; F758-I764 HydrophobicContact CD2-CG1 4.35Å; F758-I764 HydrophobicContact CG-CD1 4.42Å; A761-I764 HydrophobicContact CB-CD1 4.29Å; A761-I764 HydrophobicContact CB-CG1 4.11Å; I764-V779 HydrophobicContact CG2-CG1 3.43Å; I764-V779 VanDerWaalsContact CG2-CG1 3.43Å; I764-A780 WeakPolarHBondContact CA-O 3.14Å; I764-V781 HydrophobicContact CG1-CG1 4.23Å
765	Q	88.8	Confident	84.5	Confident	105 Å²	105	71.5 Å²	71.5	49%	0.491	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.6	174.6	-64.3	-174.9	-42.1	0	0	110.3	K763 A780	K763-Q765 VanDerWaalsContact CE-CD 3.41Å; Q765-A780 PolarHBondContact N-O 3.31Å; Q765-A780 PolarHBondContact O-N 2.98Å
766	V	90.9	Very high	84.6	Confident	30 Å²	30	71.5 Å²	71.5	18%	0.182	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.2	169.9	-174.9	0	0	0	0	107.5	I723 L736	I723-V766 HydrophobicContact CD1-CG2 4.45Å; I723-V766 HydrophobicContact CG1-CG2 3.94Å; L736-V766 HydrophobicContact CB-CG2 4.06Å; L736-V766 HydrophobicContact CD2-CG2 3.88Å
767	A	87.7	Confident	84.9	Confident	26 Å²	26	71.1 Å²	71.1	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	162.2	176.6	0	0	0	0	0	110.7	E769 L778	A767-E769 VanDerWaalsContact C-N 3.31Å; A767-L778 HydrophobicContact CB-CB 4.16Å; A767-L778 WeakPolarHBondContact CB-O 3.16Å; A767-L778 PolarHBondContact N-O 2.83Å
768	Q	82.5	Confident	85.3	Confident	207 Å²	207	72.2 Å²	72.2	97%	0.967	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	-15.2	176	-67.9	-175.1	-13.8	0	0	113
769	E	89.2	Confident	85.8	Confident	134 Å²	134	72.2 Å²	72.2	63%	0.626	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	145.8	176.3	-66.4	169.6	-165.3	0	0	110.4	A767 L778	A767-E769 VanDerWaalsContact C-N 3.31Å; E769-L778 HydrophobicContact CB-CD1 3.82Å; E769-L778 HydrophobicContact CB-CG 4.28Å; E769-L778 WeakPolarHBondContact O-CG 3.23Å; E769-L778 PolarHBondContact O-N 3.44Å
770	S	89.6	Confident	86.8	Confident	67 Å²	67	67.9 Å²	67.9	47%	0.469	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155.2	178.6	53.4	0	0	0	0	111.2	A776	S770-A776 CarbonylContact C-O 3.58Å; S770-A776 WeakPolarHBondContact CA-O 3.47Å
771	C	88.4	Confident	87.4	Confident	16 Å²	16	64 Å²	64	11%	0.108	35%	0.352	C	S	.	.			trans	-76.2	125.6	176.8	-179.4	0	0	0	0	111.6	A773 C774 D775 A776 L778 C800	C771-A773 PolarHBondContact O-N 3.35Å; C771-C774 PolarHBondContact O-N 3.38Å; C771-D775 WeakPolarHBondContact O-CA 3.42Å; C771-D775 PolarHBondContact O-N 2.99Å; C771-A776 WeakPolarHBondContact CB-O 3.2Å; C771-A776 PolarHBondContact N-O 3.11Å; C771-L778 HydrophobicContact CB-CD2 3.95Å; C771-C800 HydrophobicContact CB-CB 3.72Å
772	D	86.2	Confident	87.6	Confident	166 Å²	166	65 Å²	65	89%	0.888	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.7	179.3	-61.7	-32.8	0	0	0	114.7
773	A	84.5	Confident	87.7	Confident	81 Å²	81	59.7 Å²	59.7	67%	0.669	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-26.7	-176.3	0	0	0	0	0	114.6	C771	C771-A773 PolarHBondContact O-N 3.35Å
774	C	82.7	Confident	87.4	Confident	56 Å²	56	58.5 Å²	58.5	38%	0.378	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	7.1	-173.3	71.6	0	0	0	0	114.8	C771 A776	C771-C774 PolarHBondContact O-N 3.38Å; C774-A776 PolarHBondContact O-N 3.25Å
775	D	86	Confident	86.8	Confident	134 Å²	134	66.1 Å²	66.1	72%	0.717	36%	0.364	S	S	*	.			trans	58.9	6.4	-179.6	-61.2	-33.3	0	0	0	115.9	C771	C771-D775 WeakPolarHBondContact O-CA 3.42Å; C771-D775 PolarHBondContact O-N 2.99Å
776	A	88.1	Confident	86.1	Confident	3 Å²	3	66.7 Å²	66.7	3%	0.025	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70.3	139.1	175.1	0	0	0	0	0	111.3	I723 S770 C771 C774 L778 F802	I723-A776 CarbonylContact O-C 3.6Å; I723-A776 WeakPolarHBondContact O-CA 3.41Å; I723-A776 WeakPolarHBondContact O-CB 3.36Å; S770-A776 CarbonylContact C-O 3.58Å; S770-A776 WeakPolarHBondContact CA-O 3.47Å; C771-A776 WeakPolarHBondContact CB-O 3.2Å; C771-A776 PolarHBondContact N-O 3.11Å; C774-A776 PolarHBondContact O-N 3.25Å; A776-L778 PolarHBondContact O-N 3.09Å; A776-F802 HydrophobicContact CB-CD2 3.75Å; A776-F802 HydrophobicContact CB-CE2 3.83Å
777	S	90.8	Very high	85.2	Confident	34 Å²	34	72.6 Å²	72.6	24%	0.238	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	134.6	172.9	-47.9	0	0	0	0	110.6	G722 I723	G722-S777 PolarHBondContact O-OG 3.46Å; G722-S777 VanDerWaalsContact O-OG 3.05Å; I723-S777 PolarHBondContact O-N 2.95Å
778	L	91.4	Very high	84.8	Confident	28 Å²	28	72.5 Å²	72.5	15%	0.147	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	149.1	175.7	-57.9	-176.3	0	0	0	110.3	A767 E769 C771 A776 T798 C800	A767-L778 HydrophobicContact CB-CB 4.16Å; A767-L778 WeakPolarHBondContact CB-O 3.16Å; A767-L778 PolarHBondContact N-O 2.83Å; E769-L778 HydrophobicContact CB-CD1 3.82Å; E769-L778 HydrophobicContact CB-CG 4.28Å; E769-L778 WeakPolarHBondContact O-CG 3.23Å; E769-L778 PolarHBondContact O-N 3.44Å; C771-L778 HydrophobicContact CB-CD2 3.95Å; A776-L778 PolarHBondContact O-N 3.09Å; L778-T798 HydrophobicContact CB-CG2 4.07Å; L778-T798 HydrophobicContact CD1-CG2 4.49Å; L778-C800 HydrophobicContact CD2-CB 3.96Å
779	V	90.1	Very high	84.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.6	178.8	-179.7	0	0	0	0	109	I723 F758 I764 V781 T798 G799 V801	I723-V779 HydrophobicContact CD1-CG2 4.09Å; I723-V779 HydrophobicContact CG1-CG2 4.13Å; I723-V779 HydrophobicContact CG2-CG2 4.27Å; F758-V779 HydrophobicContact CE2-CG1 3.96Å; I764-V779 HydrophobicContact CG2-CG1 3.43Å; I764-V779 VanDerWaalsContact CG2-CG1 3.43Å; V779-V781 HydrophobicContact CG1-CG2 3.97Å; V779-T798 WeakPolarHBondContact O-CA 3.19Å; V779-G799 PolarHBondContact N-O 3.15Å; V779-G799 PolarHBondContact O-N 3.35Å; V779-V801 HydrophobicContact CB-CG2 3.89Å; V779-V801 HydrophobicContact CG2-CG2 3.46Å; V779-V801 VanDerWaalsContact CG2-CG2 3.46Å
780	A	89.9	Confident	83.9	Confident	28 Å²	28	59.9 Å²	59.9	23%	0.231	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.9	174.1	0	0	0	0	0	109.7	I764 Q765 T798	I764-A780 WeakPolarHBondContact CA-O 3.14Å; Q765-A780 PolarHBondContact N-O 3.31Å; Q765-A780 PolarHBondContact O-N 2.98Å; A780-T798 HydrophobicContact CB-CG2 4.22Å; A780-T798 WeakPolarHBondContact CB-OG1 3.5Å
781	V	87.8	Confident	83.2	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.024	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.7	-173	-171.3	0	0	0	0	109.6	F758 A761 I764 V779 F783 Q796 H797 F807	F758-V781 HydrophobicContact CB-CG1 4.19Å; F758-V781 HydrophobicContact CD2-CB 4.14Å; F758-V781 HydrophobicContact CD2-CG1 3.79Å; F758-V781 HydrophobicContact CD2-CG2 3.19Å; F758-V781 HydrophobicContact CE2-CB 4.47Å; F758-V781 HydrophobicContact CE2-CG2 3.17Å; F758-V781 HydrophobicContact CG-CG1 4.07Å; F758-V781 HydrophobicContact CG-CG2 4.1Å; F758-V781 HydrophobicContact CZ-CG2 4Å; A761-V781 HydrophobicContact CB-CG1 3.58Å; I764-V781 HydrophobicContact CG1-CG1 4.23Å; V779-V781 HydrophobicContact CG1-CG2 3.97Å; V781-F783 HydrophobicContact CB-CD2 4.5Å; V781-F783 HydrophobicContact CB-CE2 4Å; V781-F783 HydrophobicContact CB-CZ 4.37Å; V781-F783 HydrophobicContact CG1-CD1 4.32Å; V781-F783 HydrophobicContact CG1-CD2 3.88Å; V781-F783 HydrophobicContact CG1-CE1 3.98Å; V781-F783 HydrophobicContact CG1-CE2 3.5Å; V781-F783 VanDerWaalsContact CG1-CE2 3.5Å; V781-F783 HydrophobicContact CG1-CG 4.29Å; V781-F783 HydrophobicContact CG1-CZ 3.55Å; V781-Q796 WeakPolarHBondContact O-CA 3.33Å; V781-H797 PolarHBondContact N-O 3.49Å; V781-H797 PolarHBondContact O-N 3.01Å; V781-F807 HydrophobicContact CB-CZ 4.27Å; V781-F807 HydrophobicContact CG2-CE1 4.15Å; V781-F807 HydrophobicContact CG2-CE2 4.31Å; V781-F807 HydrophobicContact CG2-CZ 3.59Å
782	D	88	Confident	82.5	Confident	25 Å²	25	67 Å²	67	13%	0.134	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.3	170.8	-156.6	-20.4	0	0	0	109.7	H762 K763 T795 Q796	H762-D782 VanDerWaalsContact CE1-CB 3.4Å; H762-D782 WeakPolarHBondContact CE1-CB 3.46Å; H762-D782 IonicContact CE1-OD1 3.1Å; H762-D782 PolarHBondContact CE1-OD1 3.33Å; H762-D782 IonicContact CE1-OD2 3.21Å; H762-D782 PolarHBondContact CE1-OD2 3.5Å; H762-D782 PolarHBondContact N-O 3.39Å; H762-D782 PolarHBondContact ND1-O 3.01Å; H762-D782 IonicContact ND1-OD1 3.65Å; H762-D782 IonicContact NE2-OD2 3.55Å; K763-D782 HydrophobicContact CB-CB 4.15Å; K763-D782 PolarHBondContact N-O 2.94Å; K763-D782 PolarHBondContact O-N 3.17Å; D782-T795 CarbonylContact C-O 3.27Å; D782-T795 VanDerWaalsContact CA-O 3.3Å; D782-T795 WeakPolarHBondContact CA-O 3.19Å; D782-T795 WeakPolarHBondContact OD1-CB 3.05Å; D782-T795 PolarHBondContact OD1-OG1 3.03Å; D782-Q796 HydrophobicContact CB-CG 4.2Å; D782-Q796 PolarHBondContact OD2-NE2 3.09Å
783	F	84	Confident	81.8	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.013	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	159.4	-178.9	-69.1	-79.4	0	0	0	112.3	F758 A761 H762 V781 K785 P789 L790 T795 F807	F758-F783 HydrophobicContact CB-CE1 3.79Å; F758-F783 HydrophobicContact CB-CZ 3.99Å; F758-F783 HydrophobicContact CD1-CE1 4.46Å; F758-F783 AromaticContact CD1-CZ 3.93Å; F758-F783 HydrophobicContact CD1-CZ 3.93Å; F758-F783 HydrophobicContact CG-CE1 4.3Å; F758-F783 AromaticContact CG-CZ 3.98Å; F758-F783 HydrophobicContact CG-CZ 3.98Å; A761-F783 HydrophobicContact CB-CD1 4.02Å; A761-F783 HydrophobicContact CB-CE1 4.1Å; H762-F783 PolarHBondContact ND1-O 3.47Å; V781-F783 HydrophobicContact CB-CD2 4.5Å; V781-F783 HydrophobicContact CB-CE2 4Å; V781-F783 HydrophobicContact CB-CZ 4.37Å; V781-F783 HydrophobicContact CG1-CD1 4.32Å; V781-F783 HydrophobicContact CG1-CD2 3.88Å; V781-F783 HydrophobicContact CG1-CE1 3.98Å; V781-F783 HydrophobicContact CG1-CE2 3.5Å; V781-F783 VanDerWaalsContact CG1-CE2 3.5Å; V781-F783 HydrophobicContact CG1-CG 4.29Å; V781-F783 HydrophobicContact CG1-CZ 3.55Å; F783-K785 PolarHBondContact O-N 3.23Å; F783-P789 VanDerWaalsContact CD1-CD 3.46Å; F783-P789 HydrophobicContact CD1-CG 3.94Å; F783-P789 HydrophobicContact CD2-CG 4.29Å; F783-P789 HydrophobicContact CE1-CG 3.63Å; F783-P789 HydrophobicContact CE2-CG 4.01Å; F783-P789 HydrophobicContact CG-CG 4.26Å; F783-P789 HydrophobicContact CZ-CG 3.67Å; F783-L790 HydrophobicContact CD2-CD1 3.84Å; F783-L790 HydrophobicContact CD2-CD2 4.43Å; F783-L790 HydrophobicContact CD2-CG 3.95Å; F783-L790 HydrophobicContact CE2-CD1 4.28Å; F783-L790 HydrophobicContact CE2-CD2 4.14Å; F783-L790 HydrophobicContact CE2-CG 4.15Å; F783-T795 PolarHBondContact N-O 3.16Å; F783-T795 WeakPolarHBondContact O-CB 3.44Å; F783-F807 HydrophobicContact CE2-CE1 4.36Å
784	N	80.6	Confident	81.5	Confident	72 Å²	72	67.3 Å²	67.3	39%	0.385	36%	0.36	S	S	.	.			trans	-71.4	130.1	172.9	-170.8	-46.4	0	0	0	110.2	H760 T786 R787 T788	H760-N784 PolarHBondContact O-N 3.07Å; H760-N784 VanDerWaalsContact O-N 3.17Å; N784-T786 PolarHBondContact O-N 2.95Å; N784-T786 PolarHBondContact OD1-N 3.34Å; N784-T786 PolarHBondContact OD1-OG1 2.91Å; N784-R787 CarbonylContact O-C 3.48Å; N784-R787 PolarHBondContact O-N 2.9Å; N784-T788 PolarHBondContact O-N 3.48Å; N784-T788 VanDerWaalsContact O-N 3.16Å
785	K	76.4	Confident	81.5	Confident	170 Å²	170	66 Å²	66	74%	0.739	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-28	177.3	-73	-176.6	178.2	-170.8	0	115	F783 T795	F783-K785 PolarHBondContact O-N 3.23Å; K785-T795 HydrophobicContact CB-CG2 4.27Å; K785-T795 HydrophobicContact CG-CG2 3.58Å
786	T	73.9	Confident	81.5	Confident	116 Å²	116	65.7 Å²	65.7	71%	0.712	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.6	-177.5	57.7	0	0	0	0	114.5	N784	N784-T786 PolarHBondContact O-N 2.95Å; N784-T786 PolarHBondContact OD1-N 3.34Å; N784-T786 PolarHBondContact OD1-OG1 2.91Å
787	R	72.3	Confident	81.6	Confident	154 Å²	154	68 Å²	68	58%	0.581	36%	0.355	S	S	*	.	S	Bend	trans	-149.2	36.7	-172.3	-61.1	-171.4	-179.1	-162.3	-1.4	112.3	H760 N784	H760-R787 HydrophobicContact CB-CB 4.12Å; N784-R787 CarbonylContact O-C 3.48Å; N784-R787 PolarHBondContact O-N 2.9Å
788	T	78.4	Confident	81.6	Confident	25 Å²	25	69.7 Å²	69.7	15%	0.153	36%	0.364	C	S	.	.			trans	-74.8	131.8	178.6	-172.9	0	0	0	0	110.3	N784 L790 E794	N784-T788 PolarHBondContact O-N 3.48Å; N784-T788 VanDerWaalsContact O-N 3.16Å; T788-L790 WeakPolarHBondContact OG1-CB 3.36Å; T788-L790 WeakPolarHBondContact OG1-CG 3.38Å; T788-L790 PolarHBondContact OG1-N 2.8Å; T788-E794 WeakPolarHBondContact CB-O 3.44Å; T788-E794 WeakPolarHBondContact CG2-O 3.46Å; T788-E794 PolarHBondContact OG1-O 3.06Å
789	P	72.9	Confident	81.4	Confident	62 Å²	62	68.6 Å²	68.6	40%	0.403	36%	0.359	S	S	.	.			trans	-80.9	-1.6	171	34.1	-33.6	0	0	0	112.3	F783 V810	F783-P789 VanDerWaalsContact CD1-CD 3.46Å; F783-P789 HydrophobicContact CD1-CG 3.94Å; F783-P789 HydrophobicContact CD2-CG 4.29Å; F783-P789 HydrophobicContact CE1-CG 3.63Å; F783-P789 HydrophobicContact CE2-CG 4.01Å; F783-P789 HydrophobicContact CG-CG 4.26Å; F783-P789 HydrophobicContact CZ-CG 3.67Å; P789-V810 HydrophobicContact CB-CG1 4.36Å
790	L	80.6	Confident	81.3	Confident	13 Å²	13	68.8 Å²	68.8	7%	0.068	36%	0.361	C	S	.	.	S	Bend	trans	-81.3	148.3	-176.8	-56.1	177	0	0	0	112	F783 T788 E794 H797 V806	F783-L790 HydrophobicContact CD2-CD1 3.84Å; F783-L790 HydrophobicContact CD2-CD2 4.43Å; F783-L790 HydrophobicContact CD2-CG 3.95Å; F783-L790 HydrophobicContact CE2-CD1 4.28Å; F783-L790 HydrophobicContact CE2-CD2 4.14Å; F783-L790 HydrophobicContact CE2-CG 4.15Å; T788-L790 WeakPolarHBondContact OG1-CB 3.36Å; T788-L790 WeakPolarHBondContact OG1-CG 3.38Å; T788-L790 PolarHBondContact OG1-N 2.8Å; L790-E794 HydrophobicContact CB-CB 4.45Å; L790-E794 HydrophobicContact CD1-CB 4.4Å; L790-E794 WeakPolarHBondContact CD1-O 3.42Å; L790-H797 HydrophobicContact CD1-CB 3.69Å; L790-H797 HydrophobicContact CD2-CB 3.63Å; L790-H797 HydrophobicContact CG-CB 4.32Å; L790-V806 HydrophobicContact CD2-CG1 3.5Å
791	P	74.1	Confident	81	Confident	84 Å²	84	67.6 Å²	67.6	55%	0.545	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60.7	156.6	171.2	24.7	-30.9	0	0	0	111.7	N793 E794	P791-N793 VanDerWaalsContact C-N 3.29Å; P791-N793 PolarHBondContact O-N 2.84Å; P791-N793 VanDerWaalsContact O-N 3.15Å; P791-E794 PolarHBondContact O-N 3.15Å
792	D	73.8	Confident	80.8	Confident	149 Å²	149	70.3 Å²	70.3	80%	0.797	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	60	22.3	173.2	-57.6	-34.9	0	0	0	117.6	E794	D792-E794 PolarHBondContact O-N 3.29Å
793	N	71.1	Confident	80.6	Confident	137 Å²	137	71.6 Å²	71.6	73%	0.733	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	59.5	20.4	-176.6	-66.5	-51.1	0	0	0	114.2	P791	P791-N793 VanDerWaalsContact C-N 3.29Å; P791-N793 PolarHBondContact O-N 2.84Å; P791-N793 VanDerWaalsContact O-N 3.15Å
794	E	79.7	Confident	80.6	Confident	116 Å²	116	72.7 Å²	72.7	54%	0.542	38%	0.378	S	S	.	.			trans	-64.5	147.3	170.2	-65	-168.3	162.4	0	0	110.1	T788 L790 P791 D792	T788-E794 WeakPolarHBondContact CB-O 3.44Å; T788-E794 WeakPolarHBondContact CG2-O 3.46Å; T788-E794 PolarHBondContact OG1-O 3.06Å; L790-E794 HydrophobicContact CB-CB 4.45Å; L790-E794 HydrophobicContact CD1-CB 4.4Å; L790-E794 WeakPolarHBondContact CD1-O 3.42Å; P791-E794 PolarHBondContact O-N 3.15Å; D792-E794 PolarHBondContact O-N 3.29Å
795	T	81.8	Confident	80.6	Confident	28 Å²	28	73.8 Å²	73.8	17%	0.172	39%	0.39	C	S	.	.			trans	-108.7	-16.1	177.5	64.2	0	0	0	0	113.4	D782 F783 K785	D782-T795 CarbonylContact C-O 3.27Å; D782-T795 VanDerWaalsContact CA-O 3.3Å; D782-T795 WeakPolarHBondContact CA-O 3.19Å; D782-T795 WeakPolarHBondContact OD1-CB 3.05Å; D782-T795 PolarHBondContact OD1-OG1 3.03Å; F783-T795 PolarHBondContact N-O 3.16Å; F783-T795 WeakPolarHBondContact O-CB 3.44Å; K785-T795 HydrophobicContact CB-CG2 4.27Å; K785-T795 HydrophobicContact CG-CG2 3.58Å
796	Q	87.1	Confident	80.7	Confident	129 Å²	129	68 Å²	68	60%	0.603	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.5	-175.3	-68.5	-178	-10.5	0	0	110.4	V781 D782	V781-Q796 WeakPolarHBondContact O-CA 3.33Å; D782-Q796 HydrophobicContact CB-CG 4.2Å; D782-Q796 PolarHBondContact OD2-NE2 3.09Å
797	H	88.5	Confident	81.1	Confident	50 Å²	50	62.6 Å²	62.6	23%	0.231	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.1	172	-168.4	57.2	0	0	0	109.6	V781 L790 D804 F807	V781-H797 PolarHBondContact N-O 3.49Å; V781-H797 PolarHBondContact O-N 3.01Å; L790-H797 HydrophobicContact CD1-CB 3.69Å; L790-H797 HydrophobicContact CD2-CB 3.63Å; L790-H797 HydrophobicContact CG-CB 4.32Å; H797-D804 IonicContact CD2-OD2 3.65Å; H797-D804 IonicContact CE1-OD2 3.7Å; H797-D804 IonicContact NE2-OD1 3.58Å; H797-D804 IonicContact NE2-OD2 2.75Å; H797-D804 PolarHBondContact NE2-OD2 2.9Å; H797-F807 HydrophobicContact CB-CE1 4.27Å; H797-F807 HydrophobicContact CB-CZ 4.25Å; H797-F807 AromaticContact CD2-CE1 3.48Å; H797-F807 VanDerWaalsContact CD2-CE1 3.48Å; H797-F807 WeakPolarHBondContact CD2-CE1 3.48Å; H797-F807 AromaticContact CD2-CZ 3.48Å; H797-F807 VanDerWaalsContact CD2-CZ 3.48Å; H797-F807 WeakPolarHBondContact CD2-CZ 3.46Å
798	T	90.8	Very high	81.1	Confident	71 Å²	71	60.5 Å²	60.5	44%	0.436	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.1	174.5	-58.6	0	0	0	0	108.3	L778 V779 A780	L778-T798 HydrophobicContact CB-CG2 4.07Å; L778-T798 HydrophobicContact CD1-CG2 4.49Å; V779-T798 WeakPolarHBondContact O-CA 3.19Å; A780-T798 HydrophobicContact CB-CG2 4.22Å; A780-T798 WeakPolarHBondContact CB-OG1 3.5Å
799	G	88.8	Confident	80.5	Confident	4 Å²	4	66.6 Å²	66.6	4%	0.041	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	168.8	-171.3	0	0	0	0	0	112.9	V779 D804 F807	V779-G799 PolarHBondContact N-O 3.15Å; V779-G799 PolarHBondContact O-N 3.35Å; G799-D804 WeakPolarHBondContact CA-OD2 3.41Å; G799-F807 WeakPolarHBondContact O-CE2 3.49Å
800	C	87.5	Confident	80.5	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.034	36%	0.357	C	S	.	.			trans	-80.3	129	175.2	-178.9	0	0	0	0	110.1	C771 L778 F802 C803 D804	C771-C800 HydrophobicContact CB-CB 3.72Å; L778-C800 HydrophobicContact CD2-CB 3.96Å; C800-F802 PolarHBondContact O-N 3.17Å; C800-F802 VanDerWaalsContact O-N 3.09Å; C800-F802 PolarHBondContact SG-N 3.03Å; C800-C803 HydrophobicContact CB-CB 4.07Å; C800-C803 PolarHBondContact O-N 2.89Å; C800-D804 WeakPolarHBondContact O-CB 3.34Å; C800-D804 PolarHBondContact O-N 2.81Å
801	V	84.1	Confident	80.3	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.018	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.5	-179.5	-168.9	0	0	0	0	113	I723 M746 F758 V779 V811	I723-V801 HydrophobicContact CG2-CG2 4.37Å; M746-V801 HydrophobicContact CE-CB 4.1Å; M746-V801 HydrophobicContact CE-CG1 3.57Å; M746-V801 HydrophobicContact CE-CG2 4.12Å; F758-V801 HydrophobicContact CZ-CG1 4.48Å; F758-V801 HydrophobicContact CZ-CG2 4.3Å; V779-V801 HydrophobicContact CB-CG2 3.89Å; V779-V801 HydrophobicContact CG2-CG2 3.46Å; V779-V801 VanDerWaalsContact CG2-CG2 3.46Å; V801-V811 HydrophobicContact CG1-CG1 4.36Å; V801-V811 HydrophobicContact CG1-CG2 3.48Å; V801-V811 VanDerWaalsContact CG1-CG2 3.48Å
802	F	83.3	Confident	80.3	Confident	61 Å²	61	67.8 Å²	67.8	27%	0.268	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-36.6	-178.8	-51.6	-66.1	0	0	0	113.6	I723 L734 A776 C800 Q808	I723-F802 HydrophobicContact CG2-CE2 4.23Å; L734-F802 HydrophobicContact CD1-CE1 4.06Å; L734-F802 HydrophobicContact CD1-CZ 3.61Å; A776-F802 HydrophobicContact CB-CD2 3.75Å; A776-F802 HydrophobicContact CB-CE2 3.83Å; C800-F802 PolarHBondContact O-N 3.17Å; C800-F802 VanDerWaalsContact O-N 3.09Å; C800-F802 PolarHBondContact SG-N 3.03Å; F802-Q808 PolarHBondContact O-NE2 3.28Å
803	C	83.3	Confident	80.3	Confident	52 Å²	52	64.2 Å²	64.2	35%	0.351	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-15.6	-170.3	-59.8	0	0	0	0	114	C800 P805	C800-C803 HydrophobicContact CB-CB 4.07Å; C800-C803 PolarHBondContact O-N 2.89Å; C803-P805 WeakPolarHBondContact O-CD 3.44Å
804	D	84.6	Confident	80.2	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.134	33%	0.326	C	S	.	.			trans	-78.5	120.3	-179.5	-168.9	-47.2	0	0	0	110.4	H797 G799 C800 V806 F807 Q808	H797-D804 IonicContact CD2-OD2 3.65Å; H797-D804 IonicContact CE1-OD2 3.7Å; H797-D804 IonicContact NE2-OD1 3.58Å; H797-D804 IonicContact NE2-OD2 2.75Å; H797-D804 PolarHBondContact NE2-OD2 2.9Å; G799-D804 WeakPolarHBondContact CA-OD2 3.41Å; C800-D804 WeakPolarHBondContact O-CB 3.34Å; C800-D804 PolarHBondContact O-N 2.81Å; D804-V806 PolarHBondContact O-N 2.84Å; D804-V806 VanDerWaalsContact O-N 3.16Å; D804-V806 VanDerWaalsContact OD1-CB 3.27Å; D804-V806 WeakPolarHBondContact OD1-CB 3.48Å; D804-V806 PolarHBondContact OD1-N 2.81Å; D804-F807 HydrophobicContact CB-CB 4.15Å; D804-F807 HydrophobicContact CB-CD2 4.08Å; D804-F807 HydrophobicContact CB-CG 4.25Å; D804-F807 PolarHBondContact O-N 2.83Å; D804-Q808 WeakPolarHBondContact O-CG 3.44Å; D804-Q808 PolarHBondContact O-N 2.9Å
805	P	79.1	Confident	79.8	Confident	96 Å²	96	62.1 Å²	62.1	62%	0.623	33%	0.327	S	S	*	.	H	α-helix	trans	-57.1	-30.7	-179.5	-23.6	33.6	0	0	0	113.5	C803	C803-P805 WeakPolarHBondContact O-CD 3.44Å
806	V	79.1	Confident	78.8	Confident	49 Å²	49	61.8 Å²	61.8	30%	0.297	33%	0.327	S	S	.	.	H	α-helix	trans	-74	-30.8	180	-176.2	0	0	0	0	111.2	L790 D804	L790-V806 HydrophobicContact CD2-CG1 3.5Å; D804-V806 PolarHBondContact O-N 2.84Å; D804-V806 VanDerWaalsContact O-N 3.16Å; D804-V806 VanDerWaalsContact OD1-CB 3.27Å; D804-V806 WeakPolarHBondContact OD1-CB 3.48Å; D804-V806 PolarHBondContact OD1-N 2.81Å
807	F	82.1	Confident	77.1	Confident	1 Å²	1	60 Å²	60	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-88	-25.9	-179.8	-69.2	-16.5	0	0	0	113.6	F758 V781 F783 H797 G799 D804 D809 V810 V811	F758-F807 HydrophobicContact CD1-CD1 4.14Å; F758-F807 HydrophobicContact CD1-CE1 4.33Å; F758-F807 HydrophobicContact CE1-CB 3.78Å; F758-F807 AromaticContact CE1-CD1 3.24Å; F758-F807 HydrophobicContact CE1-CD1 3.24Å; F758-F807 HydrophobicContact CE1-CD2 4.01Å; F758-F807 AromaticContact CE1-CE1 3.66Å; F758-F807 HydrophobicContact CE1-CE1 3.66Å; F758-F807 HydrophobicContact CE1-CE2 4.37Å; F758-F807 AromaticContact CE1-CG 3.42Å; F758-F807 HydrophobicContact CE1-CG 3.42Å; F758-F807 VanDerWaalsContact CE1-CG 3.42Å; F758-F807 HydrophobicContact CE1-CZ 4.21Å; F758-F807 HydrophobicContact CE2-CE1 4.42Å; F758-F807 HydrophobicContact CE2-CE2 4.29Å; F758-F807 HydrophobicContact CE2-CZ 4.24Å; F758-F807 HydrophobicContact CZ-CB 4.03Å; F758-F807 AromaticContact CZ-CD1 3.59Å; F758-F807 HydrophobicContact CZ-CD1 3.59Å; F758-F807 AromaticContact CZ-CD2 3.52Å; F758-F807 HydrophobicContact CZ-CD2 3.52Å; F758-F807 AromaticContact CZ-CE1 3.74Å; F758-F807 HydrophobicContact CZ-CE1 3.74Å; F758-F807 AromaticContact CZ-CE2 3.69Å; F758-F807 HydrophobicContact CZ-CE2 3.69Å; F758-F807 AromaticContact CZ-CG 3.45Å; F758-F807 HydrophobicContact CZ-CG 3.45Å; F758-F807 VanDerWaalsContact CZ-CG 3.45Å; F758-F807 AromaticContact CZ-CZ 3.8Å; F758-F807 HydrophobicContact CZ-CZ 3.8Å; V781-F807 HydrophobicContact CB-CZ 4.27Å; V781-F807 HydrophobicContact CG2-CE1 4.15Å; V781-F807 HydrophobicContact CG2-CE2 4.31Å; V781-F807 HydrophobicContact CG2-CZ 3.59Å; F783-F807 HydrophobicContact CE2-CE1 4.36Å; H797-F807 HydrophobicContact CB-CE1 4.27Å; H797-F807 HydrophobicContact CB-CZ 4.25Å; H797-F807 AromaticContact CD2-CE1 3.48Å; H797-F807 VanDerWaalsContact CD2-CE1 3.48Å; H797-F807 WeakPolarHBondContact CD2-CE1 3.48Å; H797-F807 AromaticContact CD2-CZ 3.48Å; H797-F807 VanDerWaalsContact CD2-CZ 3.48Å; H797-F807 WeakPolarHBondContact CD2-CZ 3.46Å; G799-F807 WeakPolarHBondContact O-CE2 3.49Å; D804-F807 HydrophobicContact CB-CB 4.15Å; D804-F807 HydrophobicContact CB-CD2 4.08Å; D804-F807 HydrophobicContact CB-CG 4.25Å; D804-F807 PolarHBondContact O-N 2.83Å; F807-D809 VanDerWaalsContact C-N 3.28Å; F807-D809 PolarHBondContact O-N 3.16Å; F807-V810 HydrophobicContact CD1-CG2 4.5Å; F807-V810 WeakPolarHBondContact O-CG2 3.43Å; F807-V810 PolarHBondContact O-N 2.92Å; F807-V810 VanDerWaalsContact O-N 3.15Å; F807-V811 WeakPolarHBondContact O-CG2 3.47Å; F807-V811 PolarHBondContact O-N 2.8Å
808	Q	71.8	Confident	74.9	Confident	110 Å²	110	64.9 Å²	64.9	51%	0.514	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-37.2	-179.7	-77.9	-179.8	-9.9	0	0	113.3	F802 D804 V810	F802-Q808 PolarHBondContact O-NE2 3.28Å; D804-Q808 WeakPolarHBondContact O-CG 3.44Å; D804-Q808 PolarHBondContact O-N 2.9Å; Q808-V810 VanDerWaalsContact C-N 3.25Å; Q808-V810 PolarHBondContact O-N 2.84Å
809	D	67.4	Low	72.4	Confident	153 Å²	153	73.3 Å²	73.3	82%	0.818	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.1	-178.1	-72	-19.7	0	0	0	114	F807	F807-D809 VanDerWaalsContact C-N 3.28Å; F807-D809 PolarHBondContact O-N 3.16Å
810	V	71.7	Confident	69.7	Low	45 Å²	45	82 Å²	82	27%	0.273	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	15.2	-173.3	-65.8	0	0	0	0	113.3	F757 F758 P789 F807 Q808	F757-V810 WeakPolarHBondContact CA-O 3.4Å; F758-V810 HydrophobicContact CD1-CB 4.4Å; F758-V810 HydrophobicContact CD1-CG2 3.55Å; F758-V810 HydrophobicContact CE1-CG2 3.66Å; F758-V810 PolarHBondContact N-O 3.04Å; P789-V810 HydrophobicContact CB-CG1 4.36Å; F807-V810 HydrophobicContact CD1-CG2 4.5Å; F807-V810 WeakPolarHBondContact O-CG2 3.43Å; F807-V810 PolarHBondContact O-N 2.92Å; F807-V810 VanDerWaalsContact O-N 3.15Å; Q808-V810 VanDerWaalsContact C-N 3.25Å; Q808-V810 PolarHBondContact O-N 2.84Å
811	V	76.8	Confident	67	Low	45 Å²	45	87.5 Å²	87.5	27%	0.273	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.7	179.2	175.5	0	0	0	0	110.1	V755 F757 V801 F807	V755-V811 HydrophobicContact CG1-CG1 3.4Å; V755-V811 VanDerWaalsContact CG1-CG1 3.4Å; F757-V811 HydrophobicContact CB-CB 4.35Å; F757-V811 HydrophobicContact CB-CG1 4.48Å; F757-V811 HydrophobicContact CB-CG2 3.75Å; V801-V811 HydrophobicContact CG1-CG1 4.36Å; V801-V811 HydrophobicContact CG1-CG2 3.48Å; V801-V811 VanDerWaalsContact CG1-CG2 3.48Å; F807-V811 WeakPolarHBondContact O-CG2 3.47Å; F807-V811 PolarHBondContact O-N 2.8Å
812	E	75.2	Confident	64.4	Low	94 Å²	94	96.4 Å²	96.4	44%	0.439	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.5	-178.8	-168	-167.7	-179.5	0	0	110.8	H756 K814	H756-E812 PolarHBondContact N-O 2.75Å; H756-E812 PolarHBondContact O-N 2.93Å; E812-K814 WeakPolarHBondContact OE1-CE 3.27Å; E812-K814 IonicContact OE1-NZ 2.76Å; E812-K814 PolarHBondContact OE1-NZ 3.19Å; E812-K814 WeakPolarHBondContact OE2-CE 3.35Å; E812-K814 IonicContact OE2-NZ 2.65Å; E812-K814 PolarHBondContact OE2-NZ 2.87Å
813	L	73.6	Confident	62	Low	75 Å²	75	102.2 Å²	102.2	39%	0.393	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.9	179.6	-171.8	140.3	0	0	0	111.9	V727 V753 V755	V727-L813 HydrophobicContact CG2-CD1 3.64Å; V753-L813 HydrophobicContact CG1-CD1 4.28Å; V753-L813 HydrophobicContact CG1-CG 4.5Å; V755-L813 HydrophobicContact CG2-CD1 4.1Å; V755-L813 HydrophobicContact CG2-CG 4.28Å
814	K	69.2	Low	59.4	Low	88 Å²	88	112 Å²	112	38%	0.383	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.5	155.8	178.8	-70.9	-174.3	169.2	141.3	0	112.9	V754 E812	V754-K814 CarbonylContact C-O 3.56Å; V754-K814 PolarHBondContact N-O 2.74Å; V754-K814 CarbonylContact O-C 3.59Å; V754-K814 WeakPolarHBondContact O-CA 3.48Å; V754-K814 PolarHBondContact O-N 3.07Å; E812-K814 WeakPolarHBondContact OE1-CE 3.27Å; E812-K814 IonicContact OE1-NZ 2.76Å; E812-K814 PolarHBondContact OE1-NZ 3.19Å; E812-K814 WeakPolarHBondContact OE2-CE 3.35Å; E812-K814 IonicContact OE2-NZ 2.65Å; E812-K814 PolarHBondContact OE2-NZ 2.87Å
815	H	70.5	Confident	56.7	Low	120 Å²	120	114.5 Å²	114.5	56%	0.556	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.5	133.2	175.3	-72.5	81.2	0	0	0	111.4
816	A	61.3	Low	54.2	Low	21 Å²	21	114.2 Å²	114.2	17%	0.174	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-72.4	139	-177.1	0	0	0	0	0	113.4	N752 V754	N752-A816 HydrophobicContact CB-CB 4.46Å; N752-A816 WeakPolarHBondContact O-CB 3.3Å; N752-A816 PolarHBondContact O-N 3.5Å; V754-A816 HydrophobicContact CG2-CB 4.14Å
817	T	50.4	Low	51.6	Low	93 Å²	93	115.6 Å²	115.6	57%	0.571	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-96	130.5	178	34.9	0	0	0	0	112.5
818	M	42.6	Very low	49.1	Very low	152 Å²	152	120 Å²	120	75%	0.749	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-92.6	133.4	173.4	-70.6	-162.1	176.5	0	0	111.8
819	R	38.2	Very low	47	Very low	248 Å²	248	125.8 Å²	125.8	94%	0.936	68%	0.676	S	S	*	*			trans	-86.2	113.6	175	-81.4	-174.3	171	-172.8	-3	111.5
820	H	32.1	Very low	45.1	Very low	187 Å²	187	130 Å²	130	87%	0.866	68%	0.68	S	S	*	*			trans	-76.8	145.5	158.2	-82.5	-78.1	0	0	0	110.7
821	S	30.7	Very low	43	Very low	120 Å²	120	131.9 Å²	131.9	84%	0.839	71%	0.709	S	S	*	*			trans	-93.6	106	179.3	161	0	0	0	0	110.8
822	M	30	Very low	40.6	Very low	189 Å²	189	133.1 Å²	133.1	93%	0.931	73%	0.732	S	S	*	*			trans	-94.1	142.2	166.4	-93.4	-162.4	-104	0	0	111.9
823	H	33.2	Very low	38.3	Very low	183 Å²	183	141.1 Å²	141.1	85%	0.847	76%	0.758	S	S	*	*			trans	-65.9	145.9	171.9	-90.4	13.8	0	0	0	114.7
824	R	29	Very low	36.2	Very low	258 Å²	258	141.4 Å²	141.4	97%	0.974	78%	0.779	S	S	*	*			trans	152.9	139.8	151	-92.2	176.1	171.7	-173.6	-1.7	107.1
825	G	27.1	Very low	34.3	Very low	77 Å²	77	149.8 Å²	149.8	79%	0.794	81%	0.808	S	S	*	*			cis	142.7	123.7	13.5	0	0	0	0	0	107.5
826	G	25.5	Very low	32.4	Very low	91 Å²	91	148 Å²	148	94%	0.938	82%	0.822	S	S	*	*			trans	80.7	146.8	173	0	0	0	0	0	115.3
827	G	26.1	Very low	30.8	Very low	77 Å²	77	159.2 Å²	159.2	79%	0.794	86%	0.86	S	S	*	*			cis	164.2	157.2	2.9	0	0	0	0	0	108.5
828	A	28.7	Very low	29.7	Very low	95 Å²	95	158.6 Å²	158.6	79%	0.785	87%	0.871	S	S	*	*			trans	94	113.5	161.2	0	0	0	0	0	122.1
829	R	27	Very low	29	Very low	230 Å²	230	163.2 Å²	163.2	87%	0.868	88%	0.881	S	S	*	*				76.5	117.1	118.3	-73.9	-176.8	172.8	-177.2	-0	123.5
830	R	28.7	Very low	28.5	Very low	241 Å²	241	163.6 Å²	163.6	91%	0.909	88%	0.882	S	S	*	*				68.1	130.9	124.2	-84.1	-172.5	169.5	-179.3	-2.3	122.5
831	G	26.7	Very low	28.4	Very low	85 Å²	85	158.2 Å²	158.2	88%	0.876	88%	0.877	S	S	*	*			trans	128.9	128.9	152.1	0	0	0	0	0	110.8
832	G	26.5	Very low	28.3	Very low	72 Å²	72	160.4 Å²	160.4	74%	0.742	88%	0.879	S	S	*	*			cis	158.1	131.5	3.8	0	0	0	0	0	108.1
833	R	28.1	Very low	28.2	Very low	262 Å²	262	156.7 Å²	156.7	99%	0.989	87%	0.869	S	S	*	*			trans	62.5	130.4	156	-66.5	-179.6	172	176.4	-1.9	121.1
834	G	28	Very low	28	Very low	81 Å²	81	157.6 Å²	157.6	84%	0.835	87%	0.871	S	S	*	*			trans	176.5	105.6	153.6	0	0	0	0	0	112.9
835	R	30.6	Very low	28	Very low	263 Å²	263	155.1 Å²	155.1	99%	0.992	87%	0.867	S	S	*	*			trans	-77	149.5	-178.1	-72.2	171.9	165.7	174.7	-5	112.3
836	G	29.3	Very low	28	Very low	82 Å²	82	157.2 Å²	157.2	85%	0.845	87%	0.867	S	S	*	*			trans	-160.6	115.2	160.3	0	0	0	0	0	111.8
837	R	28.8	Very low	28.4	Very low	258 Å²	258	162.4 Å²	162.4	97%	0.974	86%	0.863	S	S	*	*			trans	-95	150	-179.9	-91.4	179.1	166.6	-179.5	-3.7	111.2
838	G	26.6	Very low	29	Very low	79 Å²	79	164.3 Å²	164.3	81%	0.814	86%	0.855	S	S	*	*			trans	109.5	134.6	157.7	0	0	0	0	0	113.2
839	R	28.7	Very low	29.2	Very low	250 Å²	250	168.3 Å²	168.3	94%	0.943	86%	0.855	S	S	*	*			cis	-162.4	149.1	22.1	-150.4	175.5	-175.7	-178.2	0.4	108.9
840	R	27.8	Very low	29.5	Very low	256 Å²	256	160.9 Å²	160.9	97%	0.966	83%	0.831	S	S	*	*			trans	-62.9	135.8	178.5	-77.5	173.7	165.3	172.9	-5.5	112.6
841	G	28.4	Very low	29.7	Very low	73 Å²	73	152.1 Å²	152.1	75%	0.753	81%	0.81	S	S	*	*			trans	-139.9	124	159.4	0	0	0	0	0	109.1
842	N	28.6	Very low	30.1	Very low	166 Å²	166	150.6 Å²	150.6	89%	0.888	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-71.7	135.7	-175.1	-130.2	1.5	0	0	0	110.6
843	P	28.1	Very low	30.4	Very low	112 Å²	112	148.7 Å²	148.7	73%	0.727	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-84.3	131	-171.2	32	-32.3	0	0	0	112.1	K845	P843-K845 PolarHBondContact O-N 3.36Å
844	K	28.9	Very low	30.6	Very low	202 Å²	202	137.3 Å²	137.3	88%	0.878	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-68.8	125.3	159.5	-79.5	-178.5	175.9	177.6	0	108.2	P846	K844-P846 VanDerWaalsContact O-CD 3.24Å; K844-P846 WeakPolarHBondContact O-CD 3.49Å
845	K	30.2	Very low	31	Very low	206 Å²	206	137.1 Å²	137.1	90%	0.896	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-56.2	119.1	171.7	-78.6	179.1	174.3	178.6	0	110.4	P843	P843-K845 PolarHBondContact O-N 3.36Å
846	P	27.6	Very low	31.3	Very low	121 Å²	121	131 Å²	131	79%	0.786	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-75.5	136.6	164.4	-9.4	27.5	0	0	0	109.3	K844	K844-P846 VanDerWaalsContact O-CD 3.24Å; K844-P846 WeakPolarHBondContact O-CD 3.49Å
847	K	33.9	Very low	31.4	Very low	200 Å²	200	127.9 Å²	127.9	87%	0.87	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-58.7	134.4	172.6	-72.8	174.4	175	177.8	0	109.7	K849	K847-K849 PolarHBondContact O-N 3.32Å
848	D	38.8	Very low	31.4	Very low	116 Å²	116	118.4 Å²	118.4	62%	0.62	63%	0.626	S	S	*	*			trans	-63.4	90	-177.5	-167.5	-7.6	0	0	0	111.5	M850 A851	D848-M850 PolarHBondContact OD1-N 2.99Å; D848-A851 PolarHBondContact OD1-N 3.21Å; D848-A851 WeakPolarHBondContact OD2-CB 3.4Å
849	K	32.8	Very low	31.7	Very low	179 Å²	179	120.4 Å²	120.4	78%	0.778	62%	0.617	S	S	*	*	S	Bend	trans	-76.1	-12	168.6	-75.4	-174.2	175.2	-175.3	0	112	K847	K847-K849 PolarHBondContact O-N 3.32Å
850	M	31.4	Very low	31.8	Very low	75 Å²	75	113.5 Å²	113.5	37%	0.369	60%	0.599	S	S	.	*	S	Bend	trans	-87.9	-28.6	-174	-68.3	-71.8	168.5	0	0	112.3	D848 A852 L853	D848-M850 PolarHBondContact OD1-N 2.99Å; M850-A852 PolarHBondContact O-N 2.87Å; M850-L853 WeakPolarHBondContact O-CB 3.44Å; M850-L853 PolarHBondContact O-N 3.32Å; M850-L853 VanDerWaalsContact O-N 3.13Å; M850-L853 HydrophobicContact SD-CD1 3.62Å
851	A	34.6	Very low	32.1	Very low	56 Å²	56	105.6 Å²	105.6	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-60.9	-30.9	168.7	0	0	0	0	0	112.7	D848 L853 A854	D848-A851 PolarHBondContact OD1-N 3.21Å; D848-A851 WeakPolarHBondContact OD2-CB 3.4Å; A851-L853 VanDerWaalsContact C-N 3.28Å; A851-L853 PolarHBondContact O-N 3.1Å; A851-A854 PolarHBondContact O-N 3.23Å
852	A	33.8	Very low	32.3	Very low	54 Å²	54	107.5 Å²	107.5	45%	0.446	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-31.5	175.6	0	0	0	0	0	112.1	M850 A854 Y856	M850-A852 PolarHBondContact O-N 2.87Å; A852-A854 PolarHBondContact O-N 3.15Å; A852-Y856 WeakPolarHBondContact O-CD2 3.32Å
853	L	34	Very low	32.5	Very low	31 Å²	31	103.9 Å²	103.9	16%	0.162	55%	0.549	C	S	.	.	H	α-helix	trans	-70.2	-29.4	179.8	-79.6	160.6	0	0	0	113.2	M850 A851 F857	M850-L853 WeakPolarHBondContact O-CB 3.44Å; M850-L853 PolarHBondContact O-N 3.32Å; M850-L853 VanDerWaalsContact O-N 3.13Å; M850-L853 HydrophobicContact SD-CD1 3.62Å; A851-L853 VanDerWaalsContact C-N 3.28Å; A851-L853 PolarHBondContact O-N 3.1Å; L853-F857 WeakPolarHBondContact O-CD2 3.35Å; L853-F857 VanDerWaalsContact O-CE2 3.3Å; L853-F857 WeakPolarHBondContact O-CE2 3.5Å
854	A	31.9	Very low	32.8	Very low	23 Å²	23	103.3 Å²	103.3	19%	0.19	54%	0.537	C	S	.	.	H	α-helix	trans	-72.2	-33.2	179	0	0	0	0	0	112.6	A851 A852 Y856 F857	A851-A854 PolarHBondContact O-N 3.23Å; A852-A854 PolarHBondContact O-N 3.15Å; A854-Y856 PolarHBondContact O-N 2.69Å; A854-F857 PolarHBondContact O-N 3.15Å
855	A	36	Very low	33.1	Very low	78 Å²	78	96.3 Å²	96.3	65%	0.645	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-6	178.5	0	0	0	0	0	114.4
856	Y	36.7	Very low	33.3	Very low	133 Å²	133	87.8 Å²	87.8	52%	0.522	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-5.4	178.7	-79.4	-80.7	0	0	0	114.3	A852 A854	A852-Y856 WeakPolarHBondContact O-CD2 3.32Å; A854-Y856 PolarHBondContact O-N 2.69Å
857	F	31.1	Very low	33.8	Very low	18 Å²	18	85.1 Å²	85.1	8%	0.079	46%	0.458	C	S	.	.			trans	-95.8	0.7	179	-71.6	-75.6	0	0	0	113.5	T193 L853 A854	T193-F857 HydrophobicContact CG2-CZ 4.05Å; L853-F857 WeakPolarHBondContact O-CD2 3.35Å; L853-F857 VanDerWaalsContact O-CE2 3.3Å; L853-F857 WeakPolarHBondContact O-CE2 3.5Å; A854-F857 PolarHBondContact O-N 3.15Å
858	V	30.6	Very low	33.8	Very low	58 Å²	58	74.6 Å²	74.6	35%	0.352	42%	0.421	S	S	.	.			trans	-113.4	0	-178.4	-176	0	0	0	0	109.7	L64 Q182 L186	L64-V858 WeakPolarHBondContact O-CG2 3.43Å; Q182-V858 HydrophobicContact CB-CG1 4.3Å; Q182-V858 HydrophobicContact CG-CG1 4.07Å; L186-V858 HydrophobicContact CD1-CG2 4.19Å

Retrieved 858 of 858 residues in 2028.4 ms (Link to these results)

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