A0A077ZI25_TRITR Loading...

phosphoacetylglucosamine mutase

AlphaFold DB , UniProt , Accession A0A077ZI25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 959 aa.

						>A0A077ZI25_TRITR|A0A077ZI25
MDQNSVTLRSAAFLAVRLAVACICSFFTAKLIIKYMDPAYSEKKSARRQVYIAKDYGITPLVPFAGLPAFIPFGNPYNAAASQIVVGDESGASWSDIGGYDDLLAELKETVILPLKLRSSSAFLQPPKGVLLYGPPGCGKTLIARAVAKDAGATFINLEISSLTDKWYGESEKLAAAVFTLAKKIQPAIIFIDEIDSFLRVRESRDHETTAMMKAQFLSNWDGFASDRQCRVVIIGASNRPLDVDPAILRRMPSRFCLNLPVRLKNSVKFYKAAFPIDWPLLTVARLPEVVRILLNIAKSFGGIKDEKQRTKVLEVLLRDEQLHPDVNLDEIAARCQLFSCSDLSELCRLAAVSHVQELLRSGANIDELNDQPFRLADFKTALARMTRDDDFNRCIDVEGALSDGFMKYKDIPSDFRRTSNELLRYGTAGFREKATKLPHVMFRMGILAVLRARQTGGTVGIMITASHNPIGDNGLKMIDPSGEMLVEEWEEKATRFANCPYTAFPSAYEKNPPIQVYFSEQNLEAEIEAIVKEFNINMDAEGTVCCARDTRPSGISLFSIVRAGVEIVRGKFISYEILTTPQLHYIIRETNLENRRWKEDEYFGRLLLAYERLNSDESHYYHFYDPRVFVDCANGVGARKLYNIATEVKMCLEICLANRSAEDCLNEQCGADYVKSEKKVPYIYDASHEILPNVRWASLDGDADRIVFYYIDDNNKFHLLDGDKIAALVANYFKGLIEQTELDLQMGVVQTAYSNGNATRYLKEELRVPVICTPTGVKYLHAAAKSLDIGIYFEPNGHGTVLFSQKAIDAMWRIIERRSKMINQAIGDAICDLLLVETILRNKRWQIHRWDQLYTDIPNKLIKFKVADRRLLRTTDCERRVTHPRGLAEHIAKLLSLYKNSRAVVRPSGTENVVRVYTEADTQEHANQLAVEIQRATVKAMEQAQEVLGRTEPMSTEA
					

Structure Viewer

Loading PAE data...

(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	45.1	Very low	58	Low	243 Å²	243	121.9 Å²	121.9	100%	1.197	65%	0.646	S	S	*	*				0	10.8	0	-95.6	178.9	161.4	0	0	113.6
2	D	50.9	Low	59.4	Low	117 Å²	117	116.3 Å²	116.3	63%	0.626	63%	0.63	S	S	*	*			trans	-109.5	3.9	-157.5	-132.3	4	0	0	0	116.1	S5 V6	D2-S5 PolarHBondContact O-OG 2.73Å; D2-S5 PolarHBondContact OD1-OG 3.45Å; D2-V6 WeakPolarHBondContact O-CG2 3.36Å
3	Q	48.1	Very low	60.7	Low	173 Å²	173	118.3 Å²	118.3	81%	0.808	63%	0.63	S	S	*	*	H	α-helix	trans	-76.2	-31.5	178.5	-83	-175.7	-18	0	0	113.2	T7	Q3-T7 PolarHBondContact O-N 3.33Å; Q3-T7 PolarHBondContact O-OG1 3.15Å
4	N	52	Low	61.7	Low	131 Å²	131	117.7 Å²	117.7	70%	0.701	63%	0.626	S	S	*	*	H	α-helix	trans	-75.4	-25.1	176.8	-76.8	-7.9	0	0	0	113	T7 L8	N4-T7 WeakPolarHBondContact CA-OG1 3.32Å; N4-T7 PolarHBondContact O-OG1 3.39Å; N4-L8 PolarHBondContact O-N 3.18Å; N4-L8 VanDerWaalsContact O-N 3.13Å
5	S	51.8	Low	62.6	Low	44 Å²	44	113.7 Å²	113.7	31%	0.308	62%	0.616	S	S	.	*	H	α-helix	trans	-73.5	-33.8	176.3	71.5	0	0	0	0	111.1	D2 R9	D2-S5 PolarHBondContact O-OG 2.73Å; D2-S5 PolarHBondContact OD1-OG 3.45Å; S5-R9 WeakPolarHBondContact O-CB 3.45Å; S5-R9 WeakPolarHBondContact O-CG 3.43Å; S5-R9 PolarHBondContact O-N 3.23Å
6	V	53.7	Low	63.8	Low	94 Å²	94	112.3 Å²	112.3	57%	0.57	61%	0.612	S	S	*	*	H	α-helix	trans	-72.3	-39.6	178.6	176.9	0	0	0	0	111.4	D2 S10	D2-V6 WeakPolarHBondContact O-CG2 3.36Å; V6-S10 WeakPolarHBondContact O-CB 3.41Å; V6-S10 PolarHBondContact O-N 2.92Å; V6-S10 PolarHBondContact O-OG 2.85Å
7	T	58.9	Low	64.6	Low	84 Å²	84	116.2 Å²	116.2	52%	0.515	62%	0.616	S	S	.	*	H	α-helix	trans	-67.8	-37.8	172.1	29.6	0	0	0	0	112.6	Q3 N4 S10 A11	Q3-T7 PolarHBondContact O-N 3.33Å; Q3-T7 PolarHBondContact O-OG1 3.15Å; N4-T7 WeakPolarHBondContact CA-OG1 3.32Å; N4-T7 PolarHBondContact O-OG1 3.39Å; T7-S10 WeakPolarHBondContact CA-OG 3.3Å; T7-S10 PolarHBondContact O-OG 3.07Å; T7-S10 VanDerWaalsContact O-OG 3.13Å; T7-A11 WeakPolarHBondContact O-CB 3.38Å; T7-A11 PolarHBondContact O-N 2.92Å
8	L	64	Low	65.2	Low	132 Å²	132	115.7 Å²	115.7	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-68.7	-40.8	175.2	-125	98.4	0	0	0	112.4	N4 A11 A12	N4-L8 PolarHBondContact O-N 3.18Å; N4-L8 VanDerWaalsContact O-N 3.13Å; L8-A11 PolarHBondContact O-N 3.15Å; L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.31Å; L8-A12 PolarHBondContact O-N 3Å
9	R	69.6	Low	65.9	Low	199 Å²	199	112.3 Å²	112.3	75%	0.751	60%	0.602	S	S	*	*	H	α-helix	trans	-66.8	-40.7	177.3	-81.7	-175.8	174.7	-171.6	0.4	112	S5 A12 F13	S5-R9 WeakPolarHBondContact O-CB 3.45Å; S5-R9 WeakPolarHBondContact O-CG 3.43Å; S5-R9 PolarHBondContact O-N 3.23Å; R9-A12 PolarHBondContact O-N 2.67Å; R9-F13 WeakPolarHBondContact O-CB 3.33Å; R9-F13 PolarHBondContact O-N 3.27Å
10	S	71.2	Confident	66.7	Low	65 Å²	65	110.6 Å²	110.6	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-68.9	-38.8	176.3	46.7	0	0	0	0	112	V6 T7 F13 L14	V6-S10 WeakPolarHBondContact O-CB 3.41Å; V6-S10 PolarHBondContact O-N 2.92Å; V6-S10 PolarHBondContact O-OG 2.85Å; T7-S10 WeakPolarHBondContact CA-OG 3.3Å; T7-S10 PolarHBondContact O-OG 3.07Å; T7-S10 VanDerWaalsContact O-OG 3.13Å; S10-F13 PolarHBondContact O-N 2.86Å; S10-L14 WeakPolarHBondContact O-CB 3.46Å; S10-L14 PolarHBondContact O-N 2.81Å
11	A	73.2	Confident	67.3	Low	59 Å²	59	107.8 Å²	107.8	49%	0.488	59%	0.588	S	S	.	*	H	α-helix	trans	-63.6	-42.4	172.3	0	0	0	0	0	112.2	T7 L8 L14 A15	T7-A11 WeakPolarHBondContact O-CB 3.38Å; T7-A11 PolarHBondContact O-N 2.92Å; L8-A11 PolarHBondContact O-N 3.15Å; A11-L14 PolarHBondContact O-N 3.49Å; A11-A15 WeakPolarHBondContact O-CB 3.44Å; A11-A15 PolarHBondContact O-N 2.87Å
12	A	74.8	Confident	68.7	Low	55 Å²	55	100 Å²	100	46%	0.455	56%	0.556	S	S	.	*	H	α-helix	trans	-64.7	-41.6	175.6	0	0	0	0	0	112	L8 R9 L14 A15 V16	L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.31Å; L8-A12 PolarHBondContact O-N 3Å; R9-A12 PolarHBondContact O-N 2.67Å; A12-L14 VanDerWaalsContact C-N 3.34Å; A12-L14 PolarHBondContact O-N 3.02Å; A12-A15 PolarHBondContact O-N 3.29Å; A12-V16 WeakPolarHBondContact O-CG2 3.5Å; A12-V16 PolarHBondContact O-N 3.22Å
13	F	75.9	Confident	70.2	Confident	142 Å²	142	98.9 Å²	98.9	62%	0.623	55%	0.549	S	S	*	.	H	α-helix	trans	-65	-37.9	176.1	-129.9	-88.3	0	0	0	112.2	R9 S10 R17	R9-F13 WeakPolarHBondContact O-CB 3.33Å; R9-F13 PolarHBondContact O-N 3.27Å; S10-F13 PolarHBondContact O-N 2.86Å; F13-R17 WeakPolarHBondContact O-CB 3.24Å; F13-R17 PolarHBondContact O-N 3.46Å
14	L	75.1	Confident	71.6	Confident	110 Å²	110	94 Å²	94	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-41.7	175.5	-159.3	77.2	0	0	0	111.1	S10 A11 A12 R17 L18	S10-L14 WeakPolarHBondContact O-CB 3.46Å; S10-L14 PolarHBondContact O-N 2.81Å; A11-L14 PolarHBondContact O-N 3.49Å; A12-L14 VanDerWaalsContact C-N 3.34Å; A12-L14 PolarHBondContact O-N 3.02Å; L14-R17 PolarHBondContact O-N 3.02Å; L14-L18 HydrophobicContact CG-CD1 4.48Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 PolarHBondContact O-N 3.33Å
15	A	75.2	Confident	72.5	Confident	58 Å²	58	91.4 Å²	91.4	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.9	0	0	0	0	0	112.1	A11 A12 L18 A19	A11-A15 WeakPolarHBondContact O-CB 3.44Å; A11-A15 PolarHBondContact O-N 2.87Å; A12-A15 PolarHBondContact O-N 3.29Å; A15-L18 PolarHBondContact O-N 3.08Å; A15-A19 WeakPolarHBondContact O-CB 3.18Å; A15-A19 PolarHBondContact O-N 3.46Å
16	V	81.2	Confident	73.8	Confident	91 Å²	91	95.2 Å²	95.2	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-65.2	-42.2	175	172.6	0	0	0	0	111	A12 L18 A19 V20	A12-V16 WeakPolarHBondContact O-CG2 3.5Å; A12-V16 PolarHBondContact O-N 3.22Å; V16-L18 PolarHBondContact O-N 3Å; V16-A19 PolarHBondContact O-N 3.09Å; V16-V20 HydrophobicContact CG1-CG2 4.33Å; V16-V20 WeakPolarHBondContact O-CG2 3.4Å; V16-V20 PolarHBondContact O-N 2.98Å
17	R	77.1	Confident	74.9	Confident	178 Å²	178	96.6 Å²	96.6	67%	0.672	54%	0.536	S	S	*	.	H	α-helix	trans	-62.2	-41.2	174.9	-87.5	-176	167.3	176	-2.8	112.6	F13 L14 A21	F13-R17 WeakPolarHBondContact O-CB 3.24Å; F13-R17 PolarHBondContact O-N 3.46Å; L14-R17 PolarHBondContact O-N 3.02Å; R17-A21 VanDerWaalsContact O-CB 3.23Å; R17-A21 WeakPolarHBondContact O-CB 3.49Å; R17-A21 PolarHBondContact O-N 2.76Å
18	L	75.6	Confident	75.5	Confident	108 Å²	108	96.2 Å²	96.2	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-42.6	173.9	-100	146.7	0	0	0	111.6	L14 A15 V16 A21 C22	L14-L18 HydrophobicContact CG-CD1 4.48Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 PolarHBondContact O-N 3.33Å; A15-L18 PolarHBondContact O-N 3.08Å; V16-L18 PolarHBondContact O-N 3Å; L18-A21 PolarHBondContact O-N 3.09Å; L18-C22 WeakPolarHBondContact O-CB 3.49Å; L18-C22 PolarHBondContact O-N 3.05Å; L18-C22 PolarHBondContact O-SG 3.31Å
19	A	78.5	Confident	75.7	Confident	50 Å²	50	92 Å²	92	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-45.6	176.6	0	0	0	0	0	111.9	A15 V16 C22 I23	A15-A19 WeakPolarHBondContact O-CB 3.18Å; A15-A19 PolarHBondContact O-N 3.46Å; V16-A19 PolarHBondContact O-N 3.09Å; A19-C22 PolarHBondContact O-N 3.23Å; A19-I23 WeakPolarHBondContact O-CB 3.26Å; A19-I23 VanDerWaalsContact O-CG1 3.23Å; A19-I23 WeakPolarHBondContact O-CG1 3.37Å; A19-I23 PolarHBondContact O-N 3.33Å
20	V	82	Confident	75.8	Confident	79 Å²	79	88.3 Å²	88.3	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-42	176	173.9	0	0	0	0	110.8	V16 C22 I23 C24	V16-V20 HydrophobicContact CG1-CG2 4.33Å; V16-V20 WeakPolarHBondContact O-CG2 3.4Å; V16-V20 PolarHBondContact O-N 2.98Å; V20-C22 VanDerWaalsContact C-N 3.35Å; V20-C22 PolarHBondContact O-N 2.89Å; V20-I23 PolarHBondContact O-N 3.38Å; V20-C24 VanDerWaalsContact O-CB 3.32Å; V20-C24 WeakPolarHBondContact O-CB 3.42Å; V20-C24 PolarHBondContact O-N 2.97Å; V20-C24 PolarHBondContact O-SG 3.46Å; V20-C24 VanDerWaalsContact O-SG 3.35Å
21	A	78.9	Confident	75.7	Confident	51 Å²	51	89.9 Å²	89.9	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-37.5	175.8	0	0	0	0	0	112.5	R17 L18 S25	R17-A21 VanDerWaalsContact O-CB 3.23Å; R17-A21 WeakPolarHBondContact O-CB 3.49Å; R17-A21 PolarHBondContact O-N 2.76Å; L18-A21 PolarHBondContact O-N 3.09Å; A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 2.96Å; A21-S25 PolarHBondContact O-OG 3.29Å
22	C	75.2	Confident	75.6	Confident	79 Å²	79	91.5 Å²	91.5	53%	0.534	51%	0.509	S	S	.	.	H	α-helix	trans	-67.9	-40.5	173.1	-75.7	0	0	0	0	112	L18 A19 V20 F26	L18-C22 WeakPolarHBondContact O-CB 3.49Å; L18-C22 PolarHBondContact O-N 3.05Å; L18-C22 PolarHBondContact O-SG 3.31Å; A19-C22 PolarHBondContact O-N 3.23Å; V20-C22 VanDerWaalsContact C-N 3.35Å; V20-C22 PolarHBondContact O-N 2.89Å; C22-F26 WeakPolarHBondContact O-CB 3.49Å; C22-F26 PolarHBondContact O-N 2.78Å
23	I	81.9	Confident	75.3	Confident	94 Å²	94	94.3 Å²	94.3	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-66.3	-47.8	176.1	-69.5	165	0	0	0	110.3	A19 V20 F26 F27	A19-I23 WeakPolarHBondContact O-CB 3.26Å; A19-I23 VanDerWaalsContact O-CG1 3.23Å; A19-I23 WeakPolarHBondContact O-CG1 3.37Å; A19-I23 PolarHBondContact O-N 3.33Å; V20-I23 PolarHBondContact O-N 3.38Å; I23-F26 WeakPolarHBondContact O-CB 3.43Å; I23-F26 PolarHBondContact O-N 2.99Å; I23-F27 HydrophobicContact CG2-CD2 3.63Å; I23-F27 HydrophobicContact CG2-CE2 3.66Å; I23-F27 VanDerWaalsContact O-CD2 3.23Å; I23-F27 WeakPolarHBondContact O-CD2 3.15Å; I23-F27 PolarHBondContact O-N 3.13Å
24	C	78	Confident	74.5	Confident	72 Å²	72	92.4 Å²	92.4	49%	0.486	51%	0.507	S	S	.	.	H	α-helix	trans	-57.7	-54.1	174.8	-74.4	0	0	0	0	109.8	V20 F26 F27 T28	V20-C24 VanDerWaalsContact O-CB 3.32Å; V20-C24 WeakPolarHBondContact O-CB 3.42Å; V20-C24 PolarHBondContact O-N 2.97Å; V20-C24 PolarHBondContact O-SG 3.46Å; V20-C24 VanDerWaalsContact O-SG 3.35Å; C24-F26 VanDerWaalsContact C-N 3.26Å; C24-F26 PolarHBondContact O-N 3.3Å; C24-F27 CarbonylContact O-C 3.54Å; C24-F27 WeakPolarHBondContact O-CA 3.28Å; C24-F27 PolarHBondContact O-N 3.29Å; C24-T28 PolarHBondContact O-N 2.93Å; C24-T28 PolarHBondContact O-OG1 3.05Å
25	S	71.3	Confident	73.9	Confident	75 Å²	75	96.9 Å²	96.9	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-56.3	-37.2	175.9	-65.5	0	0	0	0	112.8	A21 T28 A29	A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 2.96Å; A21-S25 PolarHBondContact O-OG 3.29Å; S25-T28 WeakPolarHBondContact CA-OG1 3.37Å; S25-A29 WeakPolarHBondContact O-CB 3.42Å; S25-A29 PolarHBondContact O-N 3.03Å
26	F	78.8	Confident	72.9	Confident	125 Å²	125	100.7 Å²	100.7	55%	0.548	53%	0.527	S	S	.	.	H	α-helix	trans	-66.3	-42.7	174.4	178.9	-97.4	0	0	0	111.5	C22 I23 C24 K30	C22-F26 WeakPolarHBondContact O-CB 3.49Å; C22-F26 PolarHBondContact O-N 2.78Å; I23-F26 WeakPolarHBondContact O-CB 3.43Å; I23-F26 PolarHBondContact O-N 2.99Å; C24-F26 VanDerWaalsContact C-N 3.26Å; C24-F26 PolarHBondContact O-N 3.3Å; F26-K30 HydrophobicContact CE1-CD 4.23Å; F26-K30 WeakPolarHBondContact O-CB 3.17Å; F26-K30 PolarHBondContact O-N 3.38Å
27	F	77.2	Confident	71.7	Confident	123 Å²	123	98.7 Å²	98.7	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-71.9	-37.2	176.2	-82	-73.6	0	0	0	113	I23 C24 K30 L31	I23-F27 HydrophobicContact CG2-CD2 3.63Å; I23-F27 HydrophobicContact CG2-CE2 3.66Å; I23-F27 VanDerWaalsContact O-CD2 3.23Å; I23-F27 WeakPolarHBondContact O-CD2 3.15Å; I23-F27 PolarHBondContact O-N 3.13Å; C24-F27 CarbonylContact O-C 3.54Å; C24-F27 WeakPolarHBondContact O-CA 3.28Å; C24-F27 PolarHBondContact O-N 3.29Å; F27-K30 PolarHBondContact O-N 3.1Å; F27-L31 WeakPolarHBondContact O-CB 3.44Å; F27-L31 PolarHBondContact O-N 3.43Å
28	T	70.8	Confident	70.3	Confident	75 Å²	75	96.2 Å²	96.2	46%	0.46	52%	0.52	S	S	.	.	H	α-helix	trans	-67.2	-44.6	171.9	5.2	0	0	0	0	110.7	C24 S25 K30 L31 I32	C24-T28 PolarHBondContact O-N 2.93Å; C24-T28 PolarHBondContact O-OG1 3.05Å; S25-T28 WeakPolarHBondContact CA-OG1 3.37Å; T28-K30 VanDerWaalsContact C-N 3.29Å; T28-K30 PolarHBondContact O-N 3.17Å; T28-L31 PolarHBondContact O-N 2.96Å; T28-I32 VanDerWaalsContact O-CB 3.31Å; T28-I32 WeakPolarHBondContact O-CB 3.13Å; T28-I32 WeakPolarHBondContact O-CG1 3.33Å; T28-I32 PolarHBondContact O-N 3.3Å
29	A	69.2	Low	69.1	Low	44 Å²	44	92.5 Å²	92.5	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-60.2	-41.2	173.4	0	0	0	0	0	110.8	S25 L31 I32 I33	S25-A29 WeakPolarHBondContact O-CB 3.42Å; S25-A29 PolarHBondContact O-N 3.03Å; A29-L31 PolarHBondContact O-N 3.39Å; A29-I32 PolarHBondContact O-N 3.24Å; A29-I33 VanDerWaalsContact O-CB 3.28Å; A29-I33 WeakPolarHBondContact O-CB 3.46Å; A29-I33 WeakPolarHBondContact O-CD1 3.16Å; A29-I33 WeakPolarHBondContact O-CG1 3.23Å; A29-I33 PolarHBondContact O-N 3.03Å
30	K	71.6	Confident	68.3	Low	122 Å²	122	94.3 Å²	94.3	53%	0.53	50%	0.502	S	S	.	.	H	α-helix	trans	-67	-35.9	176.4	-158.8	177.4	-171.1	178.5	0	112.3	F26 F27 T28 K34	F26-K30 HydrophobicContact CE1-CD 4.23Å; F26-K30 WeakPolarHBondContact O-CB 3.17Å; F26-K30 PolarHBondContact O-N 3.38Å; F27-K30 PolarHBondContact O-N 3.1Å; T28-K30 VanDerWaalsContact C-N 3.29Å; T28-K30 PolarHBondContact O-N 3.17Å; K30-K34 VanDerWaalsContact O-CB 3.29Å; K30-K34 WeakPolarHBondContact O-CB 3.09Å; K30-K34 PolarHBondContact O-N 3.41Å
31	L	69.1	Low	66.8	Low	97 Å²	97	94.4 Å²	94.4	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-69.8	-43	173	-91.9	163.1	0	0	0	112	F27 T28 A29 K34 Y35	F27-L31 WeakPolarHBondContact O-CB 3.44Å; F27-L31 PolarHBondContact O-N 3.43Å; T28-L31 PolarHBondContact O-N 2.96Å; A29-L31 PolarHBondContact O-N 3.39Å; L31-K34 CarbonylContact O-C 3.59Å; L31-K34 WeakPolarHBondContact O-CB 3.32Å; L31-K34 PolarHBondContact O-N 3.43Å; L31-Y35 PolarHBondContact O-N 3.49Å
32	I	70.9	Confident	65.5	Low	93 Å²	93	98.6 Å²	98.6	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-47.6	175.9	-70.6	166.4	0	0	0	109.3	T28 A29 K34 Y35 M36	T28-I32 VanDerWaalsContact O-CB 3.31Å; T28-I32 WeakPolarHBondContact O-CB 3.13Å; T28-I32 WeakPolarHBondContact O-CG1 3.33Å; T28-I32 PolarHBondContact O-N 3.3Å; A29-I32 PolarHBondContact O-N 3.24Å; I32-K34 PolarHBondContact O-N 2.71Å; I32-Y35 CarbonylContact O-C 3.52Å; I32-Y35 PolarHBondContact O-N 2.96Å; I32-Y35 VanDerWaalsContact O-N 3.08Å; I32-M36 HydrophobicContact CG2-CG 3.86Å; I32-M36 HydrophobicContact CG2-SD 3.4Å; I32-M36 WeakPolarHBondContact CG2-SD 3.33Å; I32-M36 WeakPolarHBondContact O-CA 3.4Å; I32-M36 WeakPolarHBondContact O-CB 3.32Å; I32-M36 WeakPolarHBondContact O-CG 3.22Å; I32-M36 PolarHBondContact O-N 3.15Å
33	I	67.5	Low	64.6	Low	115 Å²	115	100.1 Å²	100.1	59%	0.59	51%	0.514	S	S	*	.	H	α-helix	trans	-58.5	-37.8	173.7	-69.4	163.1	0	0	0	110.9	A29 D37	A29-I33 VanDerWaalsContact O-CB 3.28Å; A29-I33 WeakPolarHBondContact O-CB 3.46Å; A29-I33 WeakPolarHBondContact O-CD1 3.16Å; A29-I33 WeakPolarHBondContact O-CG1 3.23Å; A29-I33 PolarHBondContact O-N 3.03Å; I33-D37 WeakPolarHBondContact O-CB 3.4Å; I33-D37 PolarHBondContact O-N 3.1Å
34	K	59.4	Low	63.2	Low	102 Å²	102	100.9 Å²	100.9	44%	0.443	51%	0.514	S	S	.	.	H	α-helix	trans	-70.2	-31.1	177.3	-149.5	-175.1	-163.5	-163.1	0	113.2	K30 L31 I32 Y40	K30-K34 VanDerWaalsContact O-CB 3.29Å; K30-K34 WeakPolarHBondContact O-CB 3.09Å; K30-K34 PolarHBondContact O-N 3.41Å; L31-K34 CarbonylContact O-C 3.59Å; L31-K34 WeakPolarHBondContact O-CB 3.32Å; L31-K34 PolarHBondContact O-N 3.43Å; I32-K34 PolarHBondContact O-N 2.71Å; K34-Y40 HydrophobicContact CD-CE2 4.06Å; K34-Y40 VanDerWaalsContact CE-CE2 3.44Å; K34-Y40 VanDerWaalsContact CE-CZ 3.46Å; K34-Y40 WeakPolarHBondContact CE-OH 3.45Å; K34-Y40 HydrophobicContact CG-CD2 3.78Å; K34-Y40 HydrophobicContact CG-CE1 4.48Å; K34-Y40 HydrophobicContact CG-CE2 3.63Å; K34-Y40 HydrophobicContact CG-CG 4.32Å; K34-Y40 PolarHBondContact NZ-OH 2.92Å; K34-Y40 WeakPolarHBondContact O-CB 3.21Å
35	Y	62.6	Low	61.6	Low	203 Å²	203	100.2 Å²	100.2	80%	0.796	51%	0.51	S	S	*	.	H	α-helix	trans	-89	-21.3	175.6	-95.2	-81.5	0	0	0	113.3	L31 I32	L31-Y35 PolarHBondContact O-N 3.49Å; I32-Y35 CarbonylContact O-C 3.52Å; I32-Y35 PolarHBondContact O-N 2.96Å; I32-Y35 VanDerWaalsContact O-N 3.08Å
36	M	53.6	Low	60.4	Low	138 Å²	138	98.2 Å²	98.2	68%	0.68	50%	0.499	S	S	*	.	H	α-helix	trans	-87.8	-20.1	175.9	-74.8	-174.7	70.9	0	0	112.8	I32 P38	I32-M36 HydrophobicContact CG2-CG 3.86Å; I32-M36 HydrophobicContact CG2-SD 3.4Å; I32-M36 WeakPolarHBondContact CG2-SD 3.33Å; I32-M36 WeakPolarHBondContact O-CA 3.4Å; I32-M36 WeakPolarHBondContact O-CB 3.32Å; I32-M36 WeakPolarHBondContact O-CG 3.22Å; I32-M36 PolarHBondContact O-N 3.15Å; M36-P38 WeakPolarHBondContact O-CD 3.4Å; M36-P38 VanDerWaalsContact O-N 3.14Å
37	D	56.1	Low	59	Low	50 Å²	50	101.5 Å²	101.5	27%	0.267	51%	0.507	S	S	.	.			trans	-67.9	102.2	169.9	-175.1	-2.1	0	0	0	108.2	I33 A39 Y40 K43	I33-D37 WeakPolarHBondContact O-CB 3.4Å; I33-D37 PolarHBondContact O-N 3.1Å; D37-A39 PolarHBondContact O-N 2.91Å; D37-A39 VanDerWaalsContact O-N 3.11Å; D37-A39 WeakPolarHBondContact OD1-CB 3.48Å; D37-A39 PolarHBondContact OD1-N 3.48Å; D37-A39 VanDerWaalsContact OD1-N 3.08Å; D37-Y40 WeakPolarHBondContact O-CB 3.32Å; D37-Y40 PolarHBondContact O-N 2.76Å; D37-K43 IonicContact OD2-NZ 2.75Å; D37-K43 PolarHBondContact OD2-NZ 2.81Å
38	P	47.9	Very low	57.4	Low	126 Å²	126	103.5 Å²	103.5	82%	0.818	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.7	-178.1	-13.5	30.2	0	0	0	110.8	M36	M36-P38 WeakPolarHBondContact O-CD 3.4Å; M36-P38 VanDerWaalsContact O-N 3.14Å
39	A	51.2	Low	55.9	Low	29 Å²	29	106.7 Å²	106.7	24%	0.24	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	6.3	178.5	0	0	0	0	0	113.7	D37 S41 E42 K43	D37-A39 PolarHBondContact O-N 2.91Å; D37-A39 VanDerWaalsContact O-N 3.11Å; D37-A39 WeakPolarHBondContact OD1-CB 3.48Å; D37-A39 PolarHBondContact OD1-N 3.48Å; D37-A39 VanDerWaalsContact OD1-N 3.08Å; A39-S41 PolarHBondContact O-N 2.83Å; A39-E42 PolarHBondContact O-N 2.95Å; A39-K43 PolarHBondContact O-N 3Å
40	Y	60.2	Low	54.6	Low	88 Å²	88	109 Å²	109	35%	0.345	53%	0.53	S	S	.	.	H	α-helix	trans	-59.8	-38.2	177.2	-177.9	-107.8	0	0	0	111.8	K34 D37 K44	K34-Y40 HydrophobicContact CD-CE2 4.06Å; K34-Y40 VanDerWaalsContact CE-CE2 3.44Å; K34-Y40 VanDerWaalsContact CE-CZ 3.46Å; K34-Y40 WeakPolarHBondContact CE-OH 3.45Å; K34-Y40 HydrophobicContact CG-CD2 3.78Å; K34-Y40 HydrophobicContact CG-CE1 4.48Å; K34-Y40 HydrophobicContact CG-CE2 3.63Å; K34-Y40 HydrophobicContact CG-CG 4.32Å; K34-Y40 PolarHBondContact NZ-OH 2.92Å; K34-Y40 WeakPolarHBondContact O-CB 3.21Å; D37-Y40 WeakPolarHBondContact O-CB 3.32Å; D37-Y40 PolarHBondContact O-N 2.76Å; Y40-K44 HydrophobicContact CE1-CD 4.46Å; Y40-K44 WeakPolarHBondContact O-CB 3.28Å; Y40-K44 PolarHBondContact O-N 3.41Å; Y40-K44 VanDerWaalsContact O-N 3.13Å
41	S	52.6	Low	53.2	Low	81 Å²	81	110.9 Å²	110.9	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-57.4	-54.7	173.1	176.2	0	0	0	0	110.9	A39 K43 K44 S45	A39-S41 PolarHBondContact O-N 2.83Å; S41-K43 PolarHBondContact O-N 2.93Å; S41-K44 WeakPolarHBondContact O-CB 3.35Å; S41-K44 PolarHBondContact O-N 3.33Å; S41-K44 VanDerWaalsContact O-N 3.16Å; S41-S45 PolarHBondContact O-N 2.83Å; S41-S45 PolarHBondContact O-OG 2.74Å
42	E	51.3	Low	51.8	Low	139 Å²	139	110.5 Å²	110.5	65%	0.65	53%	0.532	S	S	*	.	H	α-helix	trans	-64.2	-42.7	-178.5	-75.2	-177.1	158.1	0	0	113.5	A39 K44 S45 A46	A39-E42 PolarHBondContact O-N 2.95Å; E42-K44 PolarHBondContact O-N 3.29Å; E42-S45 WeakPolarHBondContact O-CB 3.41Å; E42-S45 PolarHBondContact O-N 3.37Å; E42-S45 VanDerWaalsContact O-N 3.12Å; E42-A46 WeakPolarHBondContact O-CB 3.27Å; E42-A46 PolarHBondContact O-N 3.25Å
43	K	55.4	Low	50.1	Low	112 Å²	112	108.6 Å²	108.6	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-61	-34.8	175.5	-78.3	175.9	-172.6	155.4	0	111.9	D37 A39 S41 R47	D37-K43 IonicContact OD2-NZ 2.75Å; D37-K43 PolarHBondContact OD2-NZ 2.81Å; A39-K43 PolarHBondContact O-N 3Å; S41-K43 PolarHBondContact O-N 2.93Å; K43-R47 WeakPolarHBondContact O-CB 3.05Å; K43-R47 WeakPolarHBondContact O-CG 3.26Å; K43-R47 PolarHBondContact O-N 3.12Å; K43-R47 VanDerWaalsContact O-N 3.09Å
44	K	52.9	Low	48.8	Very low	109 Å²	109	111.2 Å²	111.2	47%	0.474	54%	0.538	S	S	.	.	H	α-helix	trans	-72.1	-37.5	175.8	-167.4	179.7	179.5	-175.3	0	111.2	Y40 S41 E42 R48	Y40-K44 HydrophobicContact CE1-CD 4.46Å; Y40-K44 WeakPolarHBondContact O-CB 3.28Å; Y40-K44 PolarHBondContact O-N 3.41Å; Y40-K44 VanDerWaalsContact O-N 3.13Å; S41-K44 WeakPolarHBondContact O-CB 3.35Å; S41-K44 PolarHBondContact O-N 3.33Å; S41-K44 VanDerWaalsContact O-N 3.16Å; E42-K44 PolarHBondContact O-N 3.29Å; K44-R48 PolarHBondContact O-N 3.01Å
45	S	44.7	Very low	47.9	Very low	58 Å²	58	112.5 Å²	112.5	41%	0.406	55%	0.55	S	S	.	.	H	α-helix	trans	-64.6	-47.8	173.8	-50.4	0	0	0	0	112.2	S41 E42 R47 R48 Q49	S41-S45 PolarHBondContact O-N 2.83Å; S41-S45 PolarHBondContact O-OG 2.74Å; E42-S45 WeakPolarHBondContact O-CB 3.41Å; E42-S45 PolarHBondContact O-N 3.37Å; E42-S45 VanDerWaalsContact O-N 3.12Å; S45-R47 PolarHBondContact O-N 2.93Å; S45-R48 CarbonylContact O-C 3.59Å; S45-R48 WeakPolarHBondContact O-CA 3.5Å; S45-R48 WeakPolarHBondContact O-CB 3.28Å; S45-R48 PolarHBondContact O-N 2.86Å; S45-R48 VanDerWaalsContact O-N 3.11Å; S45-Q49 PolarHBondContact O-N 3.43Å
46	A	45.2	Very low	46.4	Very low	34 Å²	34	110.9 Å²	110.9	28%	0.281	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-42	177.9	0	0	0	0	0	111.7	E42 R48 Q49 V50	E42-A46 WeakPolarHBondContact O-CB 3.27Å; E42-A46 PolarHBondContact O-N 3.25Å; A46-R48 VanDerWaalsContact C-N 3.29Å; A46-R48 PolarHBondContact O-N 2.95Å; A46-Q49 PolarHBondContact O-N 3.37Å; A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 3.17Å
47	R	50.1	Low	45.3	Very low	194 Å²	194	107 Å²	107	73%	0.732	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-35.2	172.8	-78.7	-178.2	179.7	-168.2	0.6	112.7	K43 S45 Y51	K43-R47 WeakPolarHBondContact O-CB 3.05Å; K43-R47 WeakPolarHBondContact O-CG 3.26Å; K43-R47 PolarHBondContact O-N 3.12Å; K43-R47 VanDerWaalsContact O-N 3.09Å; S45-R47 PolarHBondContact O-N 2.93Å; R47-Y51 PolarHBondContact O-N 3.45Å; R47-Y51 VanDerWaalsContact O-N 3.1Å
48	R	42.9	Very low	44.1	Very low	165 Å²	165	109.2 Å²	109.2	62%	0.623	55%	0.549	S	S	*	.	H	α-helix	trans	-68.1	-43.4	173.6	-91.7	-178.3	171.4	177.9	-5.3	111.7	K44 S45 A46 V50 Y51 I52	K44-R48 PolarHBondContact O-N 3.01Å; S45-R48 CarbonylContact O-C 3.59Å; S45-R48 WeakPolarHBondContact O-CA 3.5Å; S45-R48 WeakPolarHBondContact O-CB 3.28Å; S45-R48 PolarHBondContact O-N 2.86Å; S45-R48 VanDerWaalsContact O-N 3.11Å; A46-R48 VanDerWaalsContact C-N 3.29Å; A46-R48 PolarHBondContact O-N 2.95Å; R48-V50 VanDerWaalsContact C-N 3.34Å; R48-V50 PolarHBondContact O-N 2.94Å; R48-Y51 PolarHBondContact O-N 3.46Å; R48-I52 HydrophobicContact CB-CD1 4.45Å; R48-I52 WeakPolarHBondContact O-CB 3.26Å; R48-I52 WeakPolarHBondContact O-CD1 3.18Å; R48-I52 WeakPolarHBondContact O-CG1 3.48Å; R48-I52 PolarHBondContact O-N 2.86Å
49	Q	39	Very low	43.2	Very low	142 Å²	142	108 Å²	108	66%	0.664	54%	0.54	S	S	*	.	H	α-helix	trans	-62.2	-40	176.4	-81	178.9	-11.5	0	0	112.2	S45 A46 Y51 I52 A53	S45-Q49 PolarHBondContact O-N 3.43Å; A46-Q49 PolarHBondContact O-N 3.37Å; Q49-Y51 PolarHBondContact O-N 2.7Å; Q49-I52 PolarHBondContact O-N 3.47Å; Q49-A53 WeakPolarHBondContact O-CB 3.37Å; Q49-A53 PolarHBondContact O-N 2.91Å
50	V	41.8	Very low	42.2	Very low	92 Å²	92	111.8 Å²	111.8	56%	0.558	56%	0.562	S	S	*	*	H	α-helix	trans	-67	-34.9	175.3	175.4	0	0	0	0	112.2	A46 R48 K54	A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 3.17Å; R48-V50 VanDerWaalsContact C-N 3.34Å; R48-V50 PolarHBondContact O-N 2.94Å; V50-K54 PolarHBondContact O-N 2.93Å
51	Y	43.7	Very low	40.6	Very low	162 Å²	162	114.5 Å²	114.5	64%	0.635	58%	0.582	S	S	*	*	H	α-helix	trans	-73.2	-39.8	174	-106.2	-87.2	0	0	0	112.5	R47 R48 Q49 A53 K54 D55	R47-Y51 PolarHBondContact O-N 3.45Å; R47-Y51 VanDerWaalsContact O-N 3.1Å; R48-Y51 PolarHBondContact O-N 3.46Å; Q49-Y51 PolarHBondContact O-N 2.7Å; Y51-A53 VanDerWaalsContact C-N 3.35Å; Y51-K54 WeakPolarHBondContact O-CB 3.26Å; Y51-K54 PolarHBondContact O-N 3.35Å; Y51-K54 VanDerWaalsContact O-N 3.08Å; Y51-D55 PolarHBondContact O-N 3.18Å
52	I	38.3	Very low	39.6	Very low	88 Å²	88	116 Å²	116	45%	0.451	59%	0.587	S	S	.	*	H	α-helix	trans	-63.1	-42.6	175.8	-70	165.8	0	0	0	109.8	R48 Q49 K54 D55 Y56	R48-I52 HydrophobicContact CB-CD1 4.45Å; R48-I52 WeakPolarHBondContact O-CB 3.26Å; R48-I52 WeakPolarHBondContact O-CD1 3.18Å; R48-I52 WeakPolarHBondContact O-CG1 3.48Å; R48-I52 PolarHBondContact O-N 2.86Å; Q49-I52 PolarHBondContact O-N 3.47Å; I52-K54 PolarHBondContact O-N 3.34Å; I52-D55 PolarHBondContact O-N 3.14Å; I52-Y56 HydrophobicContact CB-CD2 4.46Å; I52-Y56 HydrophobicContact CG2-CD2 3.58Å; I52-Y56 HydrophobicContact CG2-CE2 3.77Å; I52-Y56 VanDerWaalsContact O-CD2 3.3Å; I52-Y56 WeakPolarHBondContact O-CD2 3.41Å; I52-Y56 PolarHBondContact O-N 2.94Å
53	A	35.7	Very low	38.4	Very low	54 Å²	54	115.3 Å²	115.3	45%	0.446	60%	0.595	S	S	.	*	H	α-helix	trans	-61.6	-27.7	174.3	0	0	0	0	0	113.2	Q49 Y51	Q49-A53 WeakPolarHBondContact O-CB 3.37Å; Q49-A53 PolarHBondContact O-N 2.91Å; Y51-A53 VanDerWaalsContact C-N 3.35Å
54	K	39.7	Very low	37.2	Very low	169 Å²	169	116.1 Å²	116.1	74%	0.735	60%	0.599	S	S	*	*	H	α-helix	trans	-80.3	-38.3	174.3	-95.4	-176.9	172.5	-177.9	0	113.7	V50 Y51 I52	V50-K54 PolarHBondContact O-N 2.93Å; Y51-K54 WeakPolarHBondContact O-CB 3.26Å; Y51-K54 PolarHBondContact O-N 3.35Å; Y51-K54 VanDerWaalsContact O-N 3.08Å; I52-K54 PolarHBondContact O-N 3.34Å
55	D	41.3	Very low	36	Very low	130 Å²	130	115.8 Å²	115.8	70%	0.695	62%	0.616	S	S	*	*	H	α-helix	trans	-81.2	-22.7	-176	-76.2	-19.8	0	0	0	113.3	Y51 I52	Y51-D55 PolarHBondContact O-N 3.18Å; I52-D55 PolarHBondContact O-N 3.14Å
56	Y	31.6	Very low	35.3	Very low	168 Å²	168	116.6 Å²	116.6	66%	0.659	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	6.2	-179.5	-81.5	-89.1	0	0	0	115.1	I52 I58	I52-Y56 HydrophobicContact CB-CD2 4.46Å; I52-Y56 HydrophobicContact CG2-CD2 3.58Å; I52-Y56 HydrophobicContact CG2-CE2 3.77Å; I52-Y56 VanDerWaalsContact O-CD2 3.3Å; I52-Y56 WeakPolarHBondContact O-CD2 3.41Å; I52-Y56 PolarHBondContact O-N 2.94Å; Y56-I58 PolarHBondContact O-N 3.36Å
57	G	29	Very low	34.5	Very low	56 Å²	56	119.4 Å²	119.4	58%	0.577	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.2	20.6	177	0	0	0	0	0	113.7	T59	G57-T59 PolarHBondContact O-N 2.99Å; G57-T59 PolarHBondContact O-OG1 3.09Å
58	I	32.5	Very low	33.5	Very low	97 Å²	97	115.1 Å²	115.1	50%	0.497	64%	0.641	S	S	.	*			trans	-76.6	70.5	173	-52.5	176.7	0	0	0	106.6	Y56	Y56-I58 PolarHBondContact O-N 3.36Å
59	T	28.7	Very low	32.7	Very low	101 Å²	101	112.1 Å²	112.1	62%	0.62	65%	0.651	S	S	*	*			trans	-57.6	132.6	163.2	33.5	0	0	0	0	108.2	G57 L61	G57-T59 PolarHBondContact O-N 2.99Å; G57-T59 PolarHBondContact O-OG1 3.09Å; T59-L61 PolarHBondContact O-N 3.31Å
60	P	29	Very low	32.1	Very low	108 Å²	108	114.7 Å²	114.7	70%	0.701	66%	0.66	S	S	*	*			trans	-62	108.9	173.4	25.5	-30.1	0	0	0	107.7	V62	P60-V62 PolarHBondContact O-N 3.49Å
61	L	27.6	Very low	31.6	Very low	145 Å²	145	113.9 Å²	113.9	76%	0.759	65%	0.652	S	S	*	*	S	Bend	trans	-74.1	63.6	178.2	-83.3	165.7	0	0	0	110.6	T59	T59-L61 PolarHBondContact O-N 3.31Å
62	V	30.1	Very low	30.9	Very low	113 Å²	113	111.3 Å²	111.3	69%	0.685	66%	0.655	S	S	*	*	S	Bend	trans	-151.7	117.5	140.7	-154.6	0	0	0	0	106.9	P60 F64	P60-V62 PolarHBondContact O-N 3.49Å; V62-F64 PolarHBondContact O-N 3.33Å
63	P	26.2	Very low	30.5	Very low	125 Å²	125	115 Å²	115	81%	0.812	67%	0.668	S	S	*	*			trans	-69.5	102.2	-178.7	26.1	-29.1	0	0	0	109.7	A65	P63-A65 PolarHBondContact O-N 3.09Å; P63-A65 VanDerWaalsContact O-N 3.11Å
64	F	31.9	Very low	30.6	Very low	129 Å²	129	114 Å²	114	57%	0.566	66%	0.664	S	S	*	*			trans	-76.2	93	165.9	-111.1	-89.2	0	0	0	109	V62 G66	V62-F64 PolarHBondContact O-N 3.33Å; F64-G66 PolarHBondContact O-N 3.38Å
65	A	27.7	Very low	31.1	Very low	102 Å²	102	111.5 Å²	111.5	84%	0.843	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	116.4	163.3	0	0	0	0	0	108.9	P63	P63-A65 PolarHBondContact O-N 3.09Å; P63-A65 VanDerWaalsContact O-N 3.11Å
66	G	29.6	Very low	31.6	Very low	74 Å²	74	106.5 Å²	106.5	76%	0.763	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	137	-7.2	164.5	0	0	0	0	0	118	F64	F64-G66 PolarHBondContact O-N 3.38Å
67	L	29.1	Very low	32.5	Very low	93 Å²	93	103 Å²	103	49%	0.487	62%	0.619	S	S	.	*			trans	-100.3	118.1	174.8	-90.3	157.1	0	0	0	111.4	A69	L67-A69 PolarHBondContact O-N 2.78Å
68	P	27.9	Very low	33.6	Very low	105 Å²	105	104.1 Å²	104.1	68%	0.682	61%	0.612	S	S	*	*			trans	-63	133	176	23.8	-30.5	0	0	0	110.3	F70	P68-F70 PolarHBondContact O-N 3.14Å
69	A	26.5	Very low	34.5	Very low	101 Å²	101	100.4 Å²	100.4	84%	0.835	60%	0.596	S	S	*	*	S	Bend	trans	-66.7	77.6	173.4	0	0	0	0	0	110.6	L67	L67-A69 PolarHBondContact O-N 2.78Å
70	F	25.9	Very low	35.7	Very low	196 Å²	196	95.6 Å²	95.6	86%	0.86	57%	0.566	S	S	*	*			trans	178.8	87.9	156.5	-119.4	-92.8	0	0	0	107.6	P68	P68-F70 PolarHBondContact O-N 3.14Å
71	I	31.3	Very low	36.8	Very low	76 Å²	76	92.7 Å²	92.7	39%	0.39	55%	0.552	S	S	.	*			trans	-99.9	118	160	-58.8	178.4	0	0	0	105.5	F73	I71-F73 WeakPolarHBondContact O-CD2 3.3Å; I71-F73 PolarHBondContact O-N 3.26Å
72	P	28.7	Very low	38	Very low	108 Å²	108	89.1 Å²	89.1	70%	0.701	54%	0.538	S	S	*	.			trans	-59.2	113.1	178.1	-14.7	26.3	0	0	0	108.7	G74	P72-G74 VanDerWaalsContact C-N 3.32Å; P72-G74 PolarHBondContact O-N 2.87Å
73	F	29.4	Very low	39.3	Very low	165 Å²	165	84.4 Å²	84.4	72%	0.724	51%	0.509	S	S	*	.			trans	-71.7	84.3	-176.2	-76.3	-88.7	0	0	0	110.5	I71 N78	I71-F73 WeakPolarHBondContact O-CD2 3.3Å; I71-F73 PolarHBondContact O-N 3.26Å; F73-N78 WeakPolarHBondContact CD1-OD1 3.43Å
74	G	37.9	Very low	40.7	Very low	34 Å²	34	80.4 Å²	80.4	35%	0.351	48%	0.48	S	S	.	.			trans	-81.9	141.5	168.4	0	0	0	0	0	111.8	P72 P76 Y77	P72-G74 VanDerWaalsContact C-N 3.32Å; P72-G74 PolarHBondContact O-N 2.87Å; G74-P76 VanDerWaalsContact O-CD 3.26Å; G74-P76 WeakPolarHBondContact O-CD 3.15Å; G74-Y77 PolarHBondContact O-N 3.29Å; G74-Y77 VanDerWaalsContact O-N 3.08Å
75	N	51.6	Low	41.7	Very low	115 Å²	115	76.7 Å²	76.7	62%	0.615	47%	0.468	S	S	*	.	H	α-helix	trans	-33.6	-42.8	-173.6	-152.1	20	0	0	0	118
76	P	51.1	Low	42.8	Very low	26 Å²	26	76.4 Å²	76.4	17%	0.169	46%	0.456	C	S	.	.	H	α-helix	trans	-73	-30.4	-178	25.4	-34	0	0	0	114.5	G74 N78 A79 A80 K173	G74-P76 VanDerWaalsContact O-CD 3.26Å; G74-P76 WeakPolarHBondContact O-CD 3.15Å; P76-N78 VanDerWaalsContact C-N 3.35Å; P76-N78 PolarHBondContact O-N 3.33Å; P76-A79 PolarHBondContact O-N 3.29Å; P76-A80 PolarHBondContact O-N 3.18Å; P76-K173 HydrophobicContact CB-CB 4.12Å; P76-K173 HydrophobicContact CG-CB 4.28Å
77	Y	51.2	Low	43.6	Very low	93 Å²	93	74.4 Å²	74.4	37%	0.365	44%	0.435	S	S	.	.	H	α-helix	trans	-69.8	-32.2	-179.8	-76.7	-80	0	0	0	112.5	G74 A79 A80 A81 A177	G74-Y77 PolarHBondContact O-N 3.29Å; G74-Y77 VanDerWaalsContact O-N 3.08Å; Y77-A79 VanDerWaalsContact C-N 3.32Å; Y77-A80 PolarHBondContact O-N 3.47Å; Y77-A81 WeakPolarHBondContact O-CB 3.38Å; Y77-A81 PolarHBondContact O-N 3.25Å; Y77-A177 HydrophobicContact CD1-CB 3.86Å; Y77-A177 HydrophobicContact CE1-CB 3.82Å; Y77-A177 HydrophobicContact CG-CB 4.37Å
78	N	52.7	Low	44.5	Very low	81 Å²	81	75.6 Å²	75.6	43%	0.433	44%	0.442	S	S	.	.	H	α-helix	trans	-67.2	-36.6	175.3	-74.2	-27	0	0	0	111.7	F73 P76 A81 S82	F73-N78 WeakPolarHBondContact CD1-OD1 3.43Å; P76-N78 VanDerWaalsContact C-N 3.35Å; P76-N78 PolarHBondContact O-N 3.33Å; N78-A81 PolarHBondContact O-N 3.02Å; N78-S82 PolarHBondContact O-N 3.02Å
79	A	50.8	Low	45.5	Very low	19 Å²	19	78.2 Å²	78.2	16%	0.157	45%	0.445	C	S	.	.	H	α-helix	trans	-71.6	-39.4	176.5	0	0	0	0	0	111.7	P76 Y77 A81 S82 L174	P76-A79 PolarHBondContact O-N 3.29Å; Y77-A79 VanDerWaalsContact C-N 3.32Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-S82 PolarHBondContact O-N 2.96Å; A79-S82 PolarHBondContact O-OG 2.72Å; A79-L174 HydrophobicContact CB-CD1 3.51Å
80	A	52.5	Low	46.7	Very low	0 Å²	0	77.6 Å²	77.6	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-38.6	170.2	0	0	0	0	0	111.8	P76 Y77 S82 Q83 A177 V178	P76-A80 PolarHBondContact O-N 3.18Å; Y77-A80 PolarHBondContact O-N 3.47Å; A80-S82 VanDerWaalsContact C-N 3.32Å; A80-S82 PolarHBondContact O-N 2.76Å; A80-Q83 WeakPolarHBondContact O-CB 3.27Å; A80-Q83 PolarHBondContact O-N 3.11Å; A80-Q83 VanDerWaalsContact O-N 3.1Å; A80-A177 HydrophobicContact CB-CB 4.11Å; A80-V178 HydrophobicContact CB-CG2 3.75Å
81	A	52.1	Low	48.1	Very low	47 Å²	47	69.1 Å²	69.1	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-33.7	177.5	0	0	0	0	0	112.7	Y77 N78 A79 Q83 I84	Y77-A81 WeakPolarHBondContact O-CB 3.38Å; Y77-A81 PolarHBondContact O-N 3.25Å; N78-A81 PolarHBondContact O-N 3.02Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A81-Q83 PolarHBondContact O-N 3.12Å; A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 WeakPolarHBondContact O-CB 3.49Å; A81-I84 PolarHBondContact O-N 3.17Å; A81-I84 VanDerWaalsContact O-N 3.13Å
82	S	54.5	Low	49.5	Very low	69 Å²	69	66 Å²	66	48%	0.483	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.4	173.9	56	0	0	0	0	114.2	N78 A79 A80	N78-S82 PolarHBondContact O-N 3.02Å; A79-S82 PolarHBondContact O-N 2.96Å; A79-S82 PolarHBondContact O-OG 2.72Å; A80-S82 VanDerWaalsContact C-N 3.32Å; A80-S82 PolarHBondContact O-N 2.76Å
83	Q	55.9	Low	51.4	Low	14 Å²	14	62.5 Å²	62.5	7%	0.065	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.8	175.4	-66	-176.6	-17.5	0	0	113.2	A80 A81 V85 N157 S162	A80-Q83 WeakPolarHBondContact O-CB 3.27Å; A80-Q83 PolarHBondContact O-N 3.11Å; A80-Q83 VanDerWaalsContact O-N 3.1Å; A81-Q83 PolarHBondContact O-N 3.12Å; Q83-V85 PolarHBondContact O-N 2.77Å; Q83-N157 PolarHBondContact O-N 2.73Å; Q83-S162 PolarHBondContact NE2-OG 3.07Å
84	I	55.7	Low	53.5	Low	41 Å²	41	57.4 Å²	57.4	21%	0.21	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.8	174.5	-52.5	172.7	0	0	0	107.8	A81 V86 T154 L181	A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 WeakPolarHBondContact O-CB 3.49Å; A81-I84 PolarHBondContact O-N 3.17Å; A81-I84 VanDerWaalsContact O-N 3.13Å; I84-V86 HydrophobicContact CG2-CG2 3.63Å; I84-T154 HydrophobicContact CG2-CG2 3.99Å; I84-L181 HydrophobicContact CD1-CD1 4.16Å; I84-L181 HydrophobicContact CD1-CD2 3.35Å; I84-L181 HydrophobicContact CD1-CG 4.16Å; I84-L181 HydrophobicContact CG1-CD2 3.68Å
85	V	54.5	Low	55.2	Low	51 Å²	51	61 Å²	61	31%	0.309	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	93.4	165.1	-177.3	0	0	0	0	106.2	Q83 G87 F155 N157	Q83-V85 PolarHBondContact O-N 2.77Å; V85-G87 PolarHBondContact O-N 3.1Å; V85-G87 VanDerWaalsContact O-N 3.1Å; V85-F155 CarbonylContact C-O 3.55Å; V85-F155 HydrophobicContact CB-CD1 4.36Å; V85-F155 PolarHBondContact N-O 3.49Å; V85-N157 HydrophobicContact CG2-CB 4.3Å
86	V	50.8	Low	56.1	Low	96 Å²	96	60.2 Å²	60.2	58%	0.582	36%	0.358	S	S	*	.			trans	-64.2	116.7	175.1	-174.6	0	0	0	0	107.2	I84 D88	I84-V86 HydrophobicContact CG2-CG2 3.63Å; V86-D88 PolarHBondContact O-N 2.87Å
87	G	44.9	Very low	57.2	Low	32 Å²	32	59.8 Å²	59.8	33%	0.33	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	26.3	-157.5	0	0	0	0	0	117.5	V85	V85-G87 PolarHBondContact O-N 3.1Å; V85-G87 VanDerWaalsContact O-N 3.1Å
88	D	48	Very low	58	Low	119 Å²	119	58.2 Å²	58.2	64%	0.636	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-31.4	-169.9	-135.7	-5.2	0	0	0	114.6	V86	V86-D88 PolarHBondContact O-N 2.87Å
89	E	49.9	Very low	58.7	Low	160 Å²	160	57.1 Å²	57.1	75%	0.748	37%	0.374	S	S	*	.	S	Bend	trans	-110.9	-4.3	-168.1	-65.3	-161.6	163.3	0	0	117.1
90	S	51.9	Low	59.8	Low	88 Å²	88	57.7 Å²	57.7	62%	0.615	37%	0.372	S	S	*	.	S	Bend	trans	-145.4	18.5	-179.2	38.2	0	0	0	0	114.3	A92	S90-A92 PolarHBondContact O-N 3.36Å
91	G	55.1	Low	60.9	Low	17 Å²	17	63.6 Å²	63.6	18%	0.175	40%	0.403	C	S	.	.			trans	-78.1	114.4	-175.5	0	0	0	0	0	112.3	S93 K149	G91-S93 PolarHBondContact O-N 3.4Å; G91-K149 WeakPolarHBondContact O-CD 3.47Å; G91-K149 PolarHBondContact O-NZ 2.79Å
92	A	60.8	Low	61.8	Low	12 Å²	12	67.6 Å²	67.6	10%	0.099	42%	0.418	C	S	.	.			trans	-48.7	132.2	169.4	0	0	0	0	0	110.8	S90 D96 L142 A146	S90-A92 PolarHBondContact O-N 3.36Å; A92-D96 HydrophobicContact CB-CB 4.41Å; A92-L142 HydrophobicContact CB-CD1 4.3Å; A92-L142 HydrophobicContact CB-CD2 3.64Å; A92-L142 HydrophobicContact CB-CG 3.61Å; A92-A146 WeakPolarHBondContact O-CA 3.28Å
93	S	68.1	Low	63	Low	33 Å²	33	65.4 Å²	65.4	23%	0.231	40%	0.401	C	S	.	.			trans	-89	164.2	172.4	64.7	0	0	0	0	110.3	G91 S95 D96	G91-S93 PolarHBondContact O-N 3.4Å; S93-S95 PolarHBondContact O-N 3.23Å; S93-S95 PolarHBondContact OG-OG 2.87Å; S93-D96 PolarHBondContact N-OD2 3.24Å; S93-D96 WeakPolarHBondContact O-CB 3.41Å; S93-D96 PolarHBondContact O-N 3.35Å; S93-D96 VanDerWaalsContact OG-CG 3.24Å; S93-D96 PolarHBondContact OG-OD2 3.26Å
94	W	74.3	Confident	64.2	Low	58 Å²	58	65.2 Å²	65.2	22%	0.22	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.3	173	-63.7	115.8	0	0	0	112.9	D96 I97 L104 K108 I112 A146 V147 D150	W94-D96 PolarHBondContact O-N 2.87Å; W94-I97 HydrophobicContact CE3-CD1 3.94Å; W94-I97 HydrophobicContact CZ3-CD1 4.18Å; W94-I97 PolarHBondContact O-N 3.02Å; W94-L104 HydrophobicContact CE3-CB 4.42Å; W94-L104 HydrophobicContact CE3-CD1 4.22Å; W94-L104 HydrophobicContact CE3-CD2 3.98Å; W94-L104 HydrophobicContact CE3-CG 4.41Å; W94-L104 HydrophobicContact CZ3-CB 4.15Å; W94-L104 HydrophobicContact CZ3-CD2 3.52Å; W94-L104 HydrophobicContact CZ3-CG 4.23Å; W94-K108 VanDerWaalsContact CE2-CE 3.44Å; W94-K108 HydrophobicContact CH2-CG 4.39Å; W94-K108 HydrophobicContact CZ2-CG 4.12Å; W94-I112 HydrophobicContact CH2-CD1 3.62Å; W94-I112 HydrophobicContact CZ2-CD1 3.31Å; W94-A146 HydrophobicContact CE3-CB 4.36Å; W94-A146 HydrophobicContact CZ3-CB 4.3Å; W94-V147 HydrophobicContact CH2-CG2 3.98Å; W94-D150 HydrophobicContact CZ2-CB 3.8Å; W94-D150 WeakPolarHBondContact CZ2-OD2 3.21Å; W94-D150 VanDerWaalsContact NE1-CG 3.29Å; W94-D150 PolarHBondContact NE1-OD2 3.31Å
95	S	72.1	Confident	65.3	Low	110 Å²	110	65.4 Å²	65.4	77%	0.769	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-65.4	-15.9	174.4	30.2	0	0	0	0	113.9	S93	S93-S95 PolarHBondContact O-N 3.23Å; S93-S95 PolarHBondContact OG-OG 2.87Å
96	D	72.3	Confident	66.6	Low	98 Å²	98	67.3 Å²	67.3	52%	0.524	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-90	-4.3	177.8	-54	-46.2	0	0	0	112.6	A92 S93 W94	A92-D96 HydrophobicContact CB-CB 4.41Å; S93-D96 PolarHBondContact N-OD2 3.24Å; S93-D96 WeakPolarHBondContact O-CB 3.41Å; S93-D96 PolarHBondContact O-N 3.35Å; S93-D96 VanDerWaalsContact OG-CG 3.24Å; S93-D96 PolarHBondContact OG-OD2 3.26Å; W94-D96 PolarHBondContact O-N 2.87Å
97	I	72.6	Confident	68.2	Low	18 Å²	18	62.8 Å²	62.8	9%	0.092	39%	0.387	C	S	.	.			trans	-112	114.5	-179.6	-58.4	160.3	0	0	0	109.2	W94 Y100 L104 L142 I143 A146	W94-I97 HydrophobicContact CE3-CD1 3.94Å; W94-I97 HydrophobicContact CZ3-CD1 4.18Å; W94-I97 PolarHBondContact O-N 3.02Å; I97-Y100 HydrophobicContact CG2-CD2 3.86Å; I97-L104 HydrophobicContact CB-CD1 4.32Å; I97-L104 HydrophobicContact CD1-CD2 4.27Å; I97-L104 HydrophobicContact CG2-CD1 3.88Å; I97-L104 HydrophobicContact CG2-CD2 3.98Å; I97-L104 HydrophobicContact CG2-CG 4.49Å; I97-L142 HydrophobicContact CD1-CD2 3.93Å; I97-L142 HydrophobicContact CG1-CD2 3.23Å; I97-I143 HydrophobicContact CD1-CG1 3.91Å; I97-I143 HydrophobicContact CG1-CG1 4.3Å; I97-I143 HydrophobicContact CG2-CD1 4.41Å; I97-I143 HydrophobicContact CG2-CG1 4.14Å; I97-A146 HydrophobicContact CD1-CB 3.54Å
98	G	67.7	Low	70.1	Confident	60 Å²	60	65.3 Å²	65.3	62%	0.619	39%	0.388	S	S	*	.			trans	-104.6	148.4	174.2	0	0	0	0	0	113	Y100	G98-Y100 WeakPolarHBondContact O-CD2 3.32Å
99	G	68.1	Low	71.7	Confident	58 Å²	58	62 Å²	62	60%	0.598	37%	0.369	S	S	*	.	S	Bend	trans	87.8	4.2	164.1	0	0	0	0	0	117
100	Y	74.3	Confident	73.3	Confident	31 Å²	31	55 Å²	55	12%	0.122	34%	0.337	C	S	.	.			trans	-122.7	23.2	-173.9	-60.4	-62.8	0	0	0	114.3	I97 G98 D102 L103 L104 C138 I143 L258 N259	I97-Y100 HydrophobicContact CG2-CD2 3.86Å; G98-Y100 WeakPolarHBondContact O-CD2 3.32Å; Y100-D102 VanDerWaalsContact C-N 3.33Å; Y100-D102 PolarHBondContact O-N 2.65Å; Y100-D102 VanDerWaalsContact O-N 3.11Å; Y100-L103 PolarHBondContact O-N 3Å; Y100-L104 VanDerWaalsContact O-CG 3.29Å; Y100-L104 WeakPolarHBondContact O-CG 3.19Å; Y100-L104 PolarHBondContact O-N 3.39Å; Y100-C138 WeakPolarHBondContact OH-CB 3.4Å; Y100-I143 HydrophobicContact CD2-CD1 4.15Å; Y100-I143 HydrophobicContact CE2-CD1 4.5Å; Y100-L258 HydrophobicContact CD1-CD2 4.37Å; Y100-L258 HydrophobicContact CE1-CD2 4.46Å; Y100-N259 VanDerWaalsContact CE1-O 3.23Å; Y100-N259 WeakPolarHBondContact CE1-O 3.4Å; Y100-N259 PolarHBondContact OH-O 3.39Å
101	D	74.5	Confident	74.9	Confident	123 Å²	123	50.8 Å²	50.8	66%	0.658	31%	0.308	S	S	*	.	H	α-helix	trans	-47.9	-46.9	-167.5	-62.7	-46.5	0	0	0	114.7	L104 A105	D101-L104 PolarHBondContact O-N 3.14Å; D101-A105 PolarHBondContact O-N 2.92Å
102	D	71.8	Confident	76.4	Confident	131 Å²	131	50.2 Å²	50.2	70%	0.701	30%	0.301	S	S	*	.	H	α-helix	trans	-64.5	-44.4	178.7	-64.4	-28.7	0	0	0	112.4	Y100 L104 A105 E106	Y100-D102 VanDerWaalsContact C-N 3.33Å; Y100-D102 PolarHBondContact O-N 2.65Å; Y100-D102 VanDerWaalsContact O-N 3.11Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-A105 WeakPolarHBondContact O-CB 3.47Å; D102-A105 PolarHBondContact O-N 3Å; D102-E106 PolarHBondContact O-N 3.26Å
103	L	79	Confident	77.4	Confident	23 Å²	23	50.7 Å²	50.7	12%	0.12	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-36.7	178.1	179.7	149.8	0	0	0	111.3	Y100 A105 E106 L107 F256 C257 L258	Y100-L103 PolarHBondContact O-N 3Å; L103-A105 VanDerWaalsContact C-N 3.35Å; L103-E106 PolarHBondContact O-N 2.97Å; L103-L107 HydrophobicContact CD2-CD1 3.58Å; L103-L107 HydrophobicContact CD2-CG 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 2.93Å; L103-F256 HydrophobicContact CD1-CB 4.04Å; L103-F256 HydrophobicContact CG-CB 4.32Å; L103-F256 HydrophobicContact CG-CD1 4.41Å; L103-C257 WeakPolarHBondContact CD1-O 3.44Å; L103-L258 HydrophobicContact CD1-CD2 3.73Å; L103-L258 HydrophobicContact CD1-CG 4.48Å; L103-L258 HydrophobicContact CD2-CD2 3.63Å; L103-L258 HydrophobicContact CG-CD2 4.38Å
104	L	81.2	Confident	78.2	Confident	10 Å²	10	49.4 Å²	49.4	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-68	-36.8	175.7	-58.9	172.9	0	0	0	110.9	W94 I97 Y100 D101 D102 K108 I143	W94-L104 HydrophobicContact CE3-CB 4.42Å; W94-L104 HydrophobicContact CE3-CD1 4.22Å; W94-L104 HydrophobicContact CE3-CD2 3.98Å; W94-L104 HydrophobicContact CE3-CG 4.41Å; W94-L104 HydrophobicContact CZ3-CB 4.15Å; W94-L104 HydrophobicContact CZ3-CD2 3.52Å; W94-L104 HydrophobicContact CZ3-CG 4.23Å; I97-L104 HydrophobicContact CB-CD1 4.32Å; I97-L104 HydrophobicContact CD1-CD2 4.27Å; I97-L104 HydrophobicContact CG2-CD1 3.88Å; I97-L104 HydrophobicContact CG2-CD2 3.98Å; I97-L104 HydrophobicContact CG2-CG 4.49Å; Y100-L104 VanDerWaalsContact O-CG 3.29Å; Y100-L104 WeakPolarHBondContact O-CG 3.19Å; Y100-L104 PolarHBondContact O-N 3.39Å; D101-L104 PolarHBondContact O-N 3.14Å; D102-L104 VanDerWaalsContact C-N 3.34Å; L104-K108 WeakPolarHBondContact O-CB 3.38Å; L104-K108 VanDerWaalsContact O-CG 3.28Å; L104-K108 WeakPolarHBondContact O-CG 3.37Å; L104-K108 PolarHBondContact O-N 2.77Å; L104-I143 HydrophobicContact CD2-CG1 4.41Å; L104-I143 HydrophobicContact CD2-CG2 4.47Å
105	A	80.1	Confident	78.6	Confident	45 Å²	45	46.9 Å²	46.9	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-44.9	172.3	0	0	0	0	0	111.2	D101 D102 L103 L107 K108 E109	D101-A105 PolarHBondContact O-N 2.92Å; D102-A105 WeakPolarHBondContact O-CB 3.47Å; D102-A105 PolarHBondContact O-N 3Å; L103-A105 VanDerWaalsContact C-N 3.35Å; A105-L107 PolarHBondContact O-N 3.36Å; A105-K108 WeakPolarHBondContact O-CB 3.32Å; A105-K108 PolarHBondContact O-N 2.72Å; A105-E109 WeakPolarHBondContact O-CG 3.33Å; A105-E109 PolarHBondContact O-N 3.48Å
106	E	81.7	Confident	79.1	Confident	91 Å²	91	45.5 Å²	45.5	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-40.3	178	-159.1	-174.8	173.9	0	0	112.4	D102 L103 K108 E109 T110 F256	D102-E106 PolarHBondContact O-N 3.26Å; L103-E106 PolarHBondContact O-N 2.97Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 PolarHBondContact O-N 2.72Å; E106-E109 PolarHBondContact O-N 2.91Å; E106-T110 WeakPolarHBondContact O-CB 3.39Å; E106-T110 PolarHBondContact O-N 2.86Å; E106-T110 PolarHBondContact O-OG1 2.64Å; E106-F256 HydrophobicContact CB-CE1 4.01Å; E106-F256 HydrophobicContact CG-CE1 3.73Å
107	L	84.5	Confident	79.2	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-38.2	172.9	-82.6	171.7	0	0	0	112.3	L103 A105 V111 I112 L132 I143 V147 F256	L103-L107 HydrophobicContact CD2-CD1 3.58Å; L103-L107 HydrophobicContact CD2-CG 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 2.93Å; A105-L107 PolarHBondContact O-N 3.36Å; L107-V111 HydrophobicContact CD2-CG2 4.06Å; L107-V111 WeakPolarHBondContact O-CB 3.19Å; L107-V111 PolarHBondContact O-N 3.09Å; L107-I112 PolarHBondContact O-N 3Å; L107-L132 HydrophobicContact CD2-CD2 4.42Å; L107-I143 HydrophobicContact CD1-CG2 3.5Å; L107-I143 VanDerWaalsContact CD1-CG2 3.5Å; L107-V147 HydrophobicContact CB-CG2 4.45Å; L107-V147 HydrophobicContact CD1-CG2 4.22Å; L107-F256 HydrophobicContact CD2-CD1 4.35Å; L107-F256 HydrophobicContact CD2-CD2 3.53Å; L107-F256 HydrophobicContact CD2-CE1 4.23Å; L107-F256 HydrophobicContact CD2-CE2 3.4Å; L107-F256 HydrophobicContact CD2-CG 4.02Å; L107-F256 HydrophobicContact CD2-CZ 3.78Å; L107-F256 HydrophobicContact CG-CD1 4.26Å; L107-F256 HydrophobicContact CG-CD2 4.28Å; L107-F256 HydrophobicContact CG-CE1 4.25Å; L107-F256 HydrophobicContact CG-CE2 4.27Å; L107-F256 HydrophobicContact CG-CG 4.27Å; L107-F256 HydrophobicContact CG-CZ 4.26Å
108	K	84.8	Confident	79.1	Confident	85 Å²	85	48.7 Å²	48.7	37%	0.37	27%	0.267	S	S	.	.	I	π-helix	trans	-61.7	-45.2	174.9	-77.9	170.5	179.3	176.8	0	111.7	W94 L104 A105 E106 I112 L113	W94-K108 VanDerWaalsContact CE2-CE 3.44Å; W94-K108 HydrophobicContact CH2-CG 4.39Å; W94-K108 HydrophobicContact CZ2-CG 4.12Å; L104-K108 WeakPolarHBondContact O-CB 3.38Å; L104-K108 VanDerWaalsContact O-CG 3.28Å; L104-K108 WeakPolarHBondContact O-CG 3.37Å; L104-K108 PolarHBondContact O-N 2.77Å; A105-K108 WeakPolarHBondContact O-CB 3.32Å; A105-K108 PolarHBondContact O-N 2.72Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 PolarHBondContact O-N 2.72Å; K108-I112 HydrophobicContact CB-CD1 4.31Å; K108-I112 HydrophobicContact CG-CD1 3.67Å; K108-I112 PolarHBondContact O-N 2.91Å; K108-L113 VanDerWaalsContact O-CB 3.28Å; K108-L113 WeakPolarHBondContact O-CB 3.46Å; K108-L113 PolarHBondContact O-N 3.25Å
109	E	81.9	Confident	79.1	Confident	48 Å²	48	46.7 Å²	46.7	22%	0.224	24%	0.243	C	C	.	.	I	π-helix	trans	-71.5	-38	179.2	-66.4	-171.1	176.2	0	0	113	A105 E106 P114 V353 Q357 R385	A105-E109 WeakPolarHBondContact O-CG 3.33Å; A105-E109 PolarHBondContact O-N 3.48Å; E106-E109 PolarHBondContact O-N 2.91Å; E109-P114 VanDerWaalsContact O-CD 3.23Å; E109-P114 WeakPolarHBondContact O-CD 3.44Å; E109-V353 HydrophobicContact CB-CG1 4.35Å; E109-Q357 PolarHBondContact OE1-NE2 2.85Å; E109-R385 IonicContact OE1-NH1 2.73Å; E109-R385 IonicContact OE2-NH1 2.9Å; E109-R385 PolarHBondContact OE2-NH1 2.94Å
110	T	82.6	Confident	78.9	Confident	14 Å²	14	49 Å²	49	9%	0.086	25%	0.251	C	S	.	.	I	π-helix	trans	-90	-31.2	-169.9	-52.1	0	0	0	0	113.1	E106 P114 P127 F256	E106-T110 WeakPolarHBondContact O-CB 3.39Å; E106-T110 PolarHBondContact O-N 2.86Å; E106-T110 PolarHBondContact O-OG1 2.64Å; T110-P114 WeakPolarHBondContact O-CG 3.36Å; T110-P127 HydrophobicContact CG2-CG 4.4Å; T110-P127 WeakPolarHBondContact O-CD 3.37Å; T110-F256 HydrophobicContact CG2-CZ 4.18Å
111	V	86.3	Confident	78.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-117.3	-53.3	-173.5	-173.6	0	0	0	0	111.5	L107 L115 P127 V130 V147 V233	L107-V111 HydrophobicContact CD2-CG2 4.06Å; L107-V111 WeakPolarHBondContact O-CB 3.19Å; L107-V111 PolarHBondContact O-N 3.09Å; V111-L115 HydrophobicContact CG1-CD1 3.94Å; V111-L115 WeakPolarHBondContact O-CB 3.26Å; V111-L115 WeakPolarHBondContact O-CG 3.23Å; V111-L115 PolarHBondContact O-N 2.95Å; V111-L115 VanDerWaalsContact O-N 3.12Å; V111-P127 HydrophobicContact CG2-CG 4.05Å; V111-V130 HydrophobicContact CG2-CG2 3.79Å; V111-V147 HydrophobicContact CB-CG1 4.33Å; V111-V147 HydrophobicContact CG1-CG1 3.81Å; V111-V233 HydrophobicContact CG1-CG1 4.32Å
112	I	85.5	Confident	78.6	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	24%	0.235	C	C	.	.	I	π-helix	trans	-72.5	-47.9	-169.5	-64	160.3	0	0	0	111.2	W94 L107 K108 L115 K116 V147 D150 A151	W94-I112 HydrophobicContact CH2-CD1 3.62Å; W94-I112 HydrophobicContact CZ2-CD1 3.31Å; L107-I112 PolarHBondContact O-N 3Å; K108-I112 HydrophobicContact CB-CD1 4.31Å; K108-I112 HydrophobicContact CG-CD1 3.67Å; K108-I112 PolarHBondContact O-N 2.91Å; I112-L115 PolarHBondContact O-N 2.97Å; I112-K116 HydrophobicContact CG2-CD 4.18Å; I112-K116 WeakPolarHBondContact O-CG 3.26Å; I112-K116 PolarHBondContact O-N 3.48Å; I112-V147 HydrophobicContact CD1-CB 4.45Å; I112-V147 HydrophobicContact CD1-CG1 4.32Å; I112-V147 HydrophobicContact CD1-CG2 4.23Å; I112-V147 HydrophobicContact CG1-CB 4.49Å; I112-V147 HydrophobicContact CG1-CG1 3.88Å; I112-D150 HydrophobicContact CD1-CB 4.26Å; I112-D150 HydrophobicContact CG2-CB 4.41Å; I112-A151 HydrophobicContact CG1-CB 4.37Å; I112-A151 HydrophobicContact CG2-CB 4.22Å
113	L	82.7	Confident	78.7	Confident	22 Å²	22	39 Å²	39	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-50.5	-179.6	177	68.9	0	0	0	111	K108 L115 K116 L117 V353 V356 L360	K108-L113 VanDerWaalsContact O-CB 3.28Å; K108-L113 WeakPolarHBondContact O-CB 3.46Å; K108-L113 PolarHBondContact O-N 3.25Å; L113-L115 VanDerWaalsContact C-N 3.29Å; L113-L115 PolarHBondContact O-N 3.08Å; L113-K116 PolarHBondContact O-N 3.39Å; L113-K116 VanDerWaalsContact O-N 3.12Å; L113-L117 HydrophobicContact CD1-CD1 3.92Å; L113-L117 HydrophobicContact CD1-CG 4.1Å; L113-L117 HydrophobicContact CD2-CD1 4.46Å; L113-L117 HydrophobicContact CG-CD1 3.71Å; L113-L117 HydrophobicContact CG-CG 4.34Å; L113-L117 VanDerWaalsContact O-CG 3.25Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 2.99Å; L113-V353 HydrophobicContact CD2-CG1 4.28Å; L113-V356 HydrophobicContact CD1-CG1 4.13Å; L113-V356 HydrophobicContact CD2-CG1 4.23Å; L113-L360 HydrophobicContact CD1-CD1 3.99Å
114	P	83.6	Confident	78.6	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-32.1	171.9	-32.6	40.2	0	0	0	115.6	E109 T110 L124 P126	E109-P114 VanDerWaalsContact O-CD 3.23Å; E109-P114 WeakPolarHBondContact O-CD 3.44Å; T110-P114 WeakPolarHBondContact O-CG 3.36Å; P114-L124 WeakPolarHBondContact CB-O 3.44Å; P114-P126 HydrophobicContact CB-CB 3.94Å
115	L	83.7	Confident	78.4	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-72.6	-32.5	175.7	-83.2	171.3	0	0	0	113	V111 I112 L113 P126 A151 P187 I189 R231 V233	V111-L115 HydrophobicContact CG1-CD1 3.94Å; V111-L115 WeakPolarHBondContact O-CB 3.26Å; V111-L115 WeakPolarHBondContact O-CG 3.23Å; V111-L115 PolarHBondContact O-N 2.95Å; V111-L115 VanDerWaalsContact O-N 3.12Å; I112-L115 PolarHBondContact O-N 2.97Å; L113-L115 VanDerWaalsContact C-N 3.29Å; L113-L115 PolarHBondContact O-N 3.08Å; L115-P126 HydrophobicContact CD2-CB 3.95Å; L115-P126 HydrophobicContact CD2-CG 4.07Å; L115-P126 HydrophobicContact CG-CB 3.92Å; L115-A151 HydrophobicContact CB-CB 4.04Å; L115-A151 HydrophobicContact CD1-CB 3.85Å; L115-P187 HydrophobicContact CD2-CB 4.1Å; L115-I189 HydrophobicContact CD1-CD1 3.9Å; L115-I189 HydrophobicContact CD1-CG1 4.14Å; L115-R231 HydrophobicContact CD2-CB 4.22Å; L115-V233 HydrophobicContact CD1-CG2 3.99Å; L115-V233 HydrophobicContact CD2-CG2 3.95Å; L115-V233 HydrophobicContact CG-CG2 4.11Å
116	K	82.3	Confident	78.5	Confident	82 Å²	82	38.1 Å²	38.1	36%	0.357	19%	0.194	S	C	.	.	H	α-helix	trans	-77.6	-35.7	176	-73.2	-177.4	178.1	175.5	0	112.3	I112 L113 D150	I112-K116 HydrophobicContact CG2-CD 4.18Å; I112-K116 WeakPolarHBondContact O-CG 3.26Å; I112-K116 PolarHBondContact O-N 3.48Å; L113-K116 PolarHBondContact O-N 3.39Å; L113-K116 VanDerWaalsContact O-N 3.12Å; K116-D150 WeakPolarHBondContact CE-O 3.33Å; K116-D150 PolarHBondContact NZ-O 2.77Å; K116-D150 IonicContact NZ-OD1 2.95Å; K116-D150 PolarHBondContact NZ-OD1 3.2Å
117	L	75.1	Confident	78.6	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	18%	0.179	C	C	.	.			trans	-73.1	131.5	179.8	-68	165.6	0	0	0	111	L113 S119 L124 V356 I366 L369	L113-L117 HydrophobicContact CD1-CD1 3.92Å; L113-L117 HydrophobicContact CD1-CG 4.1Å; L113-L117 HydrophobicContact CD2-CD1 4.46Å; L113-L117 HydrophobicContact CG-CD1 3.71Å; L113-L117 HydrophobicContact CG-CG 4.34Å; L113-L117 VanDerWaalsContact O-CG 3.25Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 2.99Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.39Å; L117-L124 HydrophobicContact CD1-CD2 4.22Å; L117-V356 HydrophobicContact CD1-CG1 3.92Å; L117-V356 HydrophobicContact CD1-CG2 4.16Å; L117-V356 HydrophobicContact CD2-CG1 3.99Å; L117-I366 HydrophobicContact CD2-CG2 4.12Å; L117-L369 HydrophobicContact CD2-CB 4.42Å; L117-L369 HydrophobicContact CD2-CD1 3.34Å
118	R	69.4	Low	78.7	Confident	177 Å²	177	36.1 Å²	36.1	67%	0.668	19%	0.185	S	C	*	.			trans	-96.1	53.7	168.4	-67.6	-174.8	178.1	176.9	2.2	110.4	N370	R118-N370 VanDerWaalsContact O-CG 3.27Å; R118-N370 PolarHBondContact O-ND2 3.17Å; R118-N370 PolarHBondContact O-OD1 3.42Å; R118-N370 VanDerWaalsContact O-OD1 3.13Å
119	S	67.3	Low	78.9	Confident	17 Å²	17	32 Å²	32	12%	0.119	17%	0.168	C	C	.	.			trans	-83.7	142.6	-178.2	-171	0	0	0	0	111.9	L117 S121 Q125 N370	L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.39Å; S119-S121 VanDerWaalsContact C-N 3.28Å; S119-S121 WeakPolarHBondContact OG-CB 3.4Å; S119-S121 PolarHBondContact OG-N 2.96Å; S119-Q125 PolarHBondContact O-NE2 3.24Å; S119-N370 WeakPolarHBondContact CA-OD1 3.11Å; S119-N370 PolarHBondContact N-OD1 3.02Å
120	S	65.3	Low	79.4	Confident	107 Å²	107	29.8 Å²	29.8	75%	0.748	16%	0.157	S	C	*	.			trans	-78.7	-14.8	165.9	48.5	0	0	0	0	112.7	A122	S120-A122 PolarHBondContact O-N 3.46Å
121	S	70.8	Confident	79.8	Confident	5 Å²	5	29.1 Å²	29.1	4%	0.035	15%	0.153	C	C	.	.			trans	-59.7	133.3	179.8	-178.4	0	0	0	0	110.4	S119 F123 L124 Q125 E321	S119-S121 VanDerWaalsContact C-N 3.28Å; S119-S121 WeakPolarHBondContact OG-CB 3.4Å; S119-S121 PolarHBondContact OG-N 2.96Å; S121-F123 PolarHBondContact O-N 3.49Å; S121-F123 PolarHBondContact OG-N 3.13Å; S121-L124 PolarHBondContact O-N 3.35Å; S121-Q125 PolarHBondContact O-NE2 3Å; S121-E321 WeakPolarHBondContact CA-OE1 3.27Å; S121-E321 WeakPolarHBondContact CB-OE2 3.47Å; S121-E321 PolarHBondContact OG-OE1 3.19Å; S121-E321 PolarHBondContact OG-OE2 3.17Å
122	A	72.2	Confident	80	Confident	51 Å²	51	29.2 Å²	29.2	42%	0.421	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-65.9	-26.3	177.8	0	0	0	0	0	111.6	S120 E321	S120-A122 PolarHBondContact O-N 3.46Å; A122-E321 PolarHBondContact N-OE1 2.75Å
123	F	72.9	Confident	80.2	Confident	20 Å²	20	30 Å²	30	9%	0.088	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-83.8	-16.4	-175.8	-63.9	-66.7	0	0	0	114.3	S121 L317 L318 E321 C348 R349 A352	S121-F123 PolarHBondContact O-N 3.49Å; S121-F123 PolarHBondContact OG-N 3.13Å; F123-L317 VanDerWaalsContact CE2-O 3.32Å; F123-L317 WeakPolarHBondContact CE2-O 3.41Å; F123-L317 HydrophobicContact CZ-CB 4.08Å; F123-L317 VanDerWaalsContact CZ-O 3.24Å; F123-L317 WeakPolarHBondContact CZ-O 3.43Å; F123-L318 HydrophobicContact CE2-CD2 3.88Å; F123-L318 HydrophobicContact CZ-CD2 4.37Å; F123-E321 HydrophobicContact CD2-CG 3.86Å; F123-E321 WeakPolarHBondContact CD2-OE1 3.13Å; F123-E321 HydrophobicContact CE2-CG 3.74Å; F123-C348 HydrophobicContact CD1-CB 3.64Å; F123-C348 HydrophobicContact CD2-CB 4.4Å; F123-C348 HydrophobicContact CE1-CB 3.3Å; F123-C348 HydrophobicContact CE2-CB 4.11Å; F123-C348 HydrophobicContact CG-CB 4.19Å; F123-C348 HydrophobicContact CZ-CB 3.57Å; F123-R349 HydrophobicContact CD1-CB 4.33Å; F123-R349 WeakPolarHBondContact O-CG 3.34Å; F123-A352 HydrophobicContact CB-CB 3.64Å
124	L	76.9	Confident	80.2	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.052	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-104.4	10	178.4	-66.1	173.4	0	0	0	112.8	P114 L117 S121 A352 V353 V356	P114-L124 WeakPolarHBondContact CB-O 3.44Å; L117-L124 HydrophobicContact CD1-CD2 4.22Å; S121-L124 PolarHBondContact O-N 3.35Å; L124-A352 HydrophobicContact CD1-CB 4.48Å; L124-A352 HydrophobicContact CD2-CB 3.84Å; L124-A352 HydrophobicContact CG-CB 3.88Å; L124-V353 HydrophobicContact CD2-CG2 4.25Å; L124-V356 HydrophobicContact CD1-CG2 3.68Å; L124-V356 HydrophobicContact CD2-CG2 4.05Å
125	Q	76	Confident	79.9	Confident	45 Å²	45	31.5 Å²	31.5	21%	0.21	17%	0.169	C	C	.	.	S	Bend	trans	-73.3	142	175.7	-64.2	-52.8	-45.3	0	0	111.4	S119 S121 R228	S119-Q125 PolarHBondContact O-NE2 3.24Å; S121-Q125 PolarHBondContact O-NE2 3Å; Q125-R228 PolarHBondContact OE1-O 2.9Å
126	P	82.2	Confident	79.8	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.026	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.2	141.5	176.8	27.3	-34.4	0	0	0	110.9	P114 L115 K128 V233	P114-P126 HydrophobicContact CB-CB 3.94Å; L115-P126 HydrophobicContact CD2-CB 3.95Å; L115-P126 HydrophobicContact CD2-CG 4.07Å; L115-P126 HydrophobicContact CG-CB 3.92Å; P126-K128 PolarHBondContact O-N 3.28Å; P126-V233 HydrophobicContact CB-CG2 3.81Å
127	P	84.2	Confident	79.6	Confident	18 Å²	18	35.7 Å²	35.7	12%	0.117	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-62.3	131	178.4	26.4	-34.6	0	0	0	109.1	T110 V111 G129 V130 V233 S254	T110-P127 HydrophobicContact CG2-CG 4.4Å; T110-P127 WeakPolarHBondContact O-CD 3.37Å; V111-P127 HydrophobicContact CG2-CG 4.05Å; P127-G129 PolarHBondContact O-N 2.99Å; P127-V130 HydrophobicContact CB-CG2 4.42Å; P127-V130 HydrophobicContact CG-CG2 3.9Å; P127-V233 WeakPolarHBondContact O-CG1 3.29Å; P127-V233 VanDerWaalsContact O-CG2 3.31Å; P127-V233 WeakPolarHBondContact O-CG2 3.24Å; P127-S254 WeakPolarHBondContact CB-OG 3.21Å
128	K	86.7	Confident	79.7	Confident	32 Å²	32	35.8 Å²	35.8	14%	0.139	22%	0.221	C	C	.	.	S	Bend	trans	-71.8	-14.1	-178.4	-53.3	-53.8	-173.5	-153.5	0	113	P126 W221 F224 A225 C230 I234	P126-K128 PolarHBondContact O-N 3.28Å; K128-W221 PolarHBondContact O-NE1 2.71Å; K128-F224 WeakPolarHBondContact CE-O 3.5Å; K128-A225 HydrophobicContact CG-CB 4.41Å; K128-C230 PolarHBondContact NZ-O 3.25Å; K128-I234 PolarHBondContact O-N 3.01Å
129	G	89.4	Confident	80.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	133.7	179.5	0	0	0	0	0	112.9	P127 I234 R251 P253 S254	P127-G129 PolarHBondContact O-N 2.99Å; G129-I234 CarbonylContact C-O 3.56Å; G129-I234 VanDerWaalsContact CA-O 3.29Å; G129-I234 WeakPolarHBondContact CA-O 3.35Å; G129-R251 WeakPolarHBondContact CA-O 3.45Å; G129-P253 WeakPolarHBondContact O-CD 3.45Å; G129-S254 PolarHBondContact O-N 2.7Å
130	V	91.9	Very high	81.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.6	176.7	-178.9	0	0	0	0	109	V111 P127 L132 V233 I234 I235 G236 S254 F256	V111-V130 HydrophobicContact CG2-CG2 3.79Å; P127-V130 HydrophobicContact CB-CG2 4.42Å; P127-V130 HydrophobicContact CG-CG2 3.9Å; V130-L132 HydrophobicContact CG1-CD2 4.29Å; V130-V233 HydrophobicContact CG2-CG1 3.84Å; V130-I234 PolarHBondContact N-O 3.19Å; V130-I235 HydrophobicContact CB-CG1 4.09Å; V130-I235 HydrophobicContact CB-CG2 4.49Å; V130-I235 HydrophobicContact CG2-CG1 4.5Å; V130-I235 CarbonylContact O-C 3.5Å; V130-I235 VanDerWaalsContact O-CA 3.29Å; V130-I235 WeakPolarHBondContact O-CA 3.3Å; V130-G236 PolarHBondContact O-N 3.01Å; V130-S254 CarbonylContact C-O 3.44Å; V130-S254 VanDerWaalsContact CA-O 3.23Å; V130-S254 WeakPolarHBondContact CA-O 3.46Å; V130-F256 HydrophobicContact CG1-CD2 3.56Å; V130-F256 HydrophobicContact CG1-CE2 3.61Å
131	L	91.5	Very high	82.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119	172.6	-173.9	64.8	0	0	0	110.3	Y133 I195 G236 L249 M252 S254 R255 F256	L131-Y133 HydrophobicContact CD2-CD1 4.16Å; L131-Y133 HydrophobicContact CG-CD1 4.19Å; L131-I195 HydrophobicContact CD1-CG2 4Å; L131-G236 CarbonylContact C-O 3.49Å; L131-G236 WeakPolarHBondContact CA-O 3.35Å; L131-L249 HydrophobicContact CD2-CD2 3.81Å; L131-M252 HydrophobicContact CB-CB 4.34Å; L131-M252 HydrophobicContact CB-SD 3.63Å; L131-M252 HydrophobicContact CD1-CE 4.37Å; L131-M252 HydrophobicContact CD1-SD 3.74Å; L131-M252 HydrophobicContact CG-SD 4.15Å; L131-S254 PolarHBondContact N-O 3.2Å; L131-R255 HydrophobicContact CB-CB 4.25Å; L131-R255 HydrophobicContact CB-CG 4.03Å; L131-R255 CarbonylContact O-C 3.56Å; L131-R255 WeakPolarHBondContact O-CA 3.43Å; L131-F256 PolarHBondContact O-N 3.19Å
132	L	90.9	Very high	82.9	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.6	167	-58.6	-177.1	0	0	0	108.5	L107 V130 K140 I143 A144 I235 G236 A237 S238 F256 L258	L107-L132 HydrophobicContact CD2-CD2 4.42Å; V130-L132 HydrophobicContact CG1-CD2 4.29Å; L132-K140 HydrophobicContact CB-CB 4.29Å; L132-K140 WeakPolarHBondContact CD1-O 3.42Å; L132-I143 HydrophobicContact CD1-CG2 4.24Å; L132-A144 HydrophobicContact CD1-CB 4.13Å; L132-I235 HydrophobicContact CD1-CG2 3.78Å; L132-I235 HydrophobicContact CG-CG2 3.8Å; L132-G236 PolarHBondContact N-O 2.88Å; L132-A237 CarbonylContact O-C 3.51Å; L132-A237 VanDerWaalsContact O-CA 3.23Å; L132-A237 WeakPolarHBondContact O-CA 3.34Å; L132-S238 PolarHBondContact O-N 2.94Å; L132-F256 HydrophobicContact CD2-CB 3.86Å; L132-F256 HydrophobicContact CD2-CD2 4.1Å; L132-F256 HydrophobicContact CD2-CG 4.37Å; L132-L258 HydrophobicContact CB-CD1 4.08Å
133	Y	89	Confident	83.6	Confident	23 Å²	23	25.8 Å²	25.8	9%	0.09	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	163.8	-176.6	67.9	-83.3	0	0	0	112.9	L131 S238 P241 R255 F256 C257 L258 F275	L131-Y133 HydrophobicContact CD2-CD1 4.16Å; L131-Y133 HydrophobicContact CG-CD1 4.19Å; Y133-S238 VanDerWaalsContact CA-O 3.24Å; Y133-S238 WeakPolarHBondContact CA-O 3.29Å; Y133-P241 HydrophobicContact CD2-CB 4.09Å; Y133-P241 HydrophobicContact CD2-CG 3.79Å; Y133-P241 HydrophobicContact CG-CB 4.07Å; Y133-P241 HydrophobicContact CG-CG 4.23Å; Y133-R255 HydrophobicContact CD1-CB 4.43Å; Y133-R255 HydrophobicContact CE1-CB 3.91Å; Y133-F256 VanDerWaalsContact CD1-O 3.31Å; Y133-F256 WeakPolarHBondContact CD1-O 3.45Å; Y133-F256 PolarHBondContact N-O 2.95Å; Y133-C257 HydrophobicContact CD2-CB 4.35Å; Y133-C257 HydrophobicContact CE1-CB 4.08Å; Y133-C257 HydrophobicContact CE2-CB 3.64Å; Y133-C257 WeakPolarHBondContact CE2-SG 3.49Å; Y133-C257 VanDerWaalsContact CZ-CB 3.48Å; Y133-C257 CarbonylContact O-C 3.45Å; Y133-C257 WeakPolarHBondContact OH-CB 3.17Å; Y133-L258 PolarHBondContact O-N 3.35Å; Y133-F275 HydrophobicContact CE1-CE2 4.37Å; Y133-F275 AromaticContact CE2-CE2 3.89Å; Y133-F275 HydrophobicContact CE2-CE2 3.89Å; Y133-F275 HydrophobicContact CE2-CZ 4.3Å; Y133-F275 AromaticContact CZ-CE2 3.62Å; Y133-F275 WeakPolarHBondContact OH-CE2 3.34Å
134	G	83	Confident	84.4	Confident	11 Å²	11	24.9 Å²	24.9	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	138.6	-171.4	177.5	0	0	0	0	0	111.6	K140 S238 N239	G134-K140 VanDerWaalsContact CA-NZ 3.31Å; G134-K140 WeakPolarHBondContact O-CE 3.26Å; G134-K140 PolarHBondContact O-NZ 3.21Å; G134-S238 PolarHBondContact N-O 2.91Å; G134-N239 WeakPolarHBondContact O-CA 3.09Å; G134-N239 PolarHBondContact O-OD1 2.84Å
135	P	77.8	Confident	84.9	Confident	46 Å²	46	28.7 Å²	28.7	30%	0.299	18%	0.182	S	C	.	.	S	Bend	trans	-58.7	154.4	-179.3	-24.7	36.2	0	0	0	113.3	C138 K140 L258 L260	P135-C138 PolarHBondContact O-SG 3.44Å; P135-C138 VanDerWaalsContact O-SG 3.35Å; P135-K140 WeakPolarHBondContact O-CE 3.32Å; P135-K140 PolarHBondContact O-NZ 3.26Å; P135-L258 WeakPolarHBondContact CD-O 3.4Å; P135-L260 HydrophobicContact CB-CD2 4.41Å; P135-L260 HydrophobicContact CB-CG 4.34Å; P135-L260 HydrophobicContact CG-CD1 4.3Å; P135-L260 HydrophobicContact CG-CG 4.1Å
136	P	81.7	Confident	85.4	Confident	93 Å²	93	26.7 Å²	26.7	60%	0.604	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	149.8	171.2	27.8	-34.4	0	0	0	110.4	N239	P136-N239 WeakPolarHBondContact CA-OD1 3.4Å
137	G	77.5	Confident	85.7	Confident	83 Å²	83	26.5 Å²	26.5	86%	0.856	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	-4.9	178.3	0	0	0	0	0	116.2	G139	G137-G139 PolarHBondContact O-N 3.47Å; G137-G139 VanDerWaalsContact O-N 3.08Å
138	C	77.1	Confident	85.9	Confident	7 Å²	7	25.7 Å²	25.7	5%	0.047	17%	0.166	C	C	.	.	S	Bend	trans	-77.9	20.1	177.4	-55.7	0	0	0	0	114.8	Y100 P135 K140 L258	Y100-C138 WeakPolarHBondContact OH-CB 3.4Å; P135-C138 PolarHBondContact O-SG 3.44Å; P135-C138 VanDerWaalsContact O-SG 3.35Å; C138-K140 PolarHBondContact O-N 3.36Å; C138-L258 HydrophobicContact CB-CB 3.91Å; C138-L258 PolarHBondContact SG-O 2.94Å; C138-L258 VanDerWaalsContact SG-O 3.41Å
139	G	80.2	Confident	85.8	Confident	31 Å²	31	29.2 Å²	29.2	32%	0.32	18%	0.181	S	C	.	.			trans	70	24.5	175.5	0	0	0	0	0	116.9	G137 T141 L142 I143	G137-G139 PolarHBondContact O-N 3.47Å; G137-G139 VanDerWaalsContact O-N 3.08Å; G139-T141 PolarHBondContact O-N 2.69Å; G139-L142 WeakPolarHBondContact O-CA 3.32Å; G139-L142 WeakPolarHBondContact O-CB 3.28Å; G139-L142 PolarHBondContact O-N 2.83Å; G139-I143 WeakPolarHBondContact O-CG1 3.48Å; G139-I143 PolarHBondContact O-N 3.03Å
140	K	87.5	Confident	85.5	Confident	9 Å²	9	31.6 Å²	31.6	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-54.3	-48.2	-176.7	-36	-163.9	-168	-59.5	0	112.9	L132 G134 P135 C138 L142 I143 A144 A237 N239 L258	L132-K140 HydrophobicContact CB-CB 4.29Å; L132-K140 WeakPolarHBondContact CD1-O 3.42Å; G134-K140 VanDerWaalsContact CA-NZ 3.31Å; G134-K140 WeakPolarHBondContact O-CE 3.26Å; G134-K140 PolarHBondContact O-NZ 3.21Å; P135-K140 WeakPolarHBondContact O-CE 3.32Å; P135-K140 PolarHBondContact O-NZ 3.26Å; C138-K140 PolarHBondContact O-N 3.36Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 2.91Å; K140-I143 PolarHBondContact O-N 3.48Å; K140-A144 PolarHBondContact O-N 3.05Å; K140-A237 HydrophobicContact CB-CB 3.96Å; K140-A237 HydrophobicContact CD-CB 4.18Å; K140-N239 WeakPolarHBondContact CE-OD1 3.35Å; K140-L258 HydrophobicContact CB-CD1 3.72Å; K140-L258 HydrophobicContact CD-CD1 4.26Å; K140-L258 HydrophobicContact CG-CD1 3.57Å
141	T	85.9	Confident	85.2	Confident	40 Å²	40	31.9 Å²	31.9	25%	0.245	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-35.9	177.1	-41.4	0	0	0	0	111.8	G139 R145 F191 D193	G139-T141 PolarHBondContact O-N 2.69Å; T141-R145 WeakPolarHBondContact O-CG 3.24Å; T141-R145 PolarHBondContact O-N 3.24Å; T141-F191 HydrophobicContact CG2-CD1 4.41Å; T141-F191 HydrophobicContact CG2-CE1 3.68Å; T141-F191 HydrophobicContact CG2-CZ 4.13Å; T141-D193 PolarHBondContact OG1-OD2 3.16Å
142	L	85.6	Confident	84.7	Confident	67 Å²	67	34.8 Å²	34.8	35%	0.351	23%	0.226	S	C	.	.	H	α-helix	trans	-71.2	-42	179.8	-165.1	144.9	0	0	0	111.2	A92 I97 G139 K140 R145 A146	A92-L142 HydrophobicContact CB-CD1 4.3Å; A92-L142 HydrophobicContact CB-CD2 3.64Å; A92-L142 HydrophobicContact CB-CG 3.61Å; I97-L142 HydrophobicContact CD1-CD2 3.93Å; I97-L142 HydrophobicContact CG1-CD2 3.23Å; G139-L142 WeakPolarHBondContact O-CA 3.32Å; G139-L142 WeakPolarHBondContact O-CB 3.28Å; G139-L142 PolarHBondContact O-N 2.83Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 2.91Å; L142-R145 PolarHBondContact O-N 2.87Å; L142-A146 PolarHBondContact O-N 2.91Å
143	I	88.3	Confident	84.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-45.3	174.2	-69.2	170.9	0	0	0	111	I97 Y100 L104 L107 L132 G139 K140 R145 A146 V147 L258	I97-I143 HydrophobicContact CD1-CG1 3.91Å; I97-I143 HydrophobicContact CG1-CG1 4.3Å; I97-I143 HydrophobicContact CG2-CD1 4.41Å; I97-I143 HydrophobicContact CG2-CG1 4.14Å; Y100-I143 HydrophobicContact CD2-CD1 4.15Å; Y100-I143 HydrophobicContact CE2-CD1 4.5Å; L104-I143 HydrophobicContact CD2-CG1 4.41Å; L104-I143 HydrophobicContact CD2-CG2 4.47Å; L107-I143 HydrophobicContact CD1-CG2 3.5Å; L107-I143 VanDerWaalsContact CD1-CG2 3.5Å; L132-I143 HydrophobicContact CD1-CG2 4.24Å; G139-I143 WeakPolarHBondContact O-CG1 3.48Å; G139-I143 PolarHBondContact O-N 3.03Å; K140-I143 PolarHBondContact O-N 3.48Å; I143-R145 VanDerWaalsContact C-N 3.29Å; I143-R145 PolarHBondContact O-N 3.04Å; I143-A146 PolarHBondContact O-N 2.79Å; I143-V147 HydrophobicContact CG2-CG2 4.37Å; I143-V147 VanDerWaalsContact O-CG2 3.31Å; I143-V147 WeakPolarHBondContact O-CG2 3.31Å; I143-V147 PolarHBondContact O-N 3.42Å; I143-L258 HydrophobicContact CD1-CD1 3.88Å; I143-L258 HydrophobicContact CD1-CD2 3.26Å; I143-L258 HydrophobicContact CD1-CG 4.22Å
144	A	88.8	Confident	84.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-38.9	177.7	0	0	0	0	0	112.7	L132 K140 A148 F155 F191 I235	L132-A144 HydrophobicContact CD1-CB 4.13Å; K140-A144 PolarHBondContact O-N 3.05Å; A144-A148 PolarHBondContact O-N 2.9Å; A144-A148 VanDerWaalsContact O-N 3.15Å; A144-F155 HydrophobicContact CB-CE2 4.03Å; A144-F155 HydrophobicContact CB-CZ 4.4Å; A144-F191 HydrophobicContact CB-CD2 3.3Å; A144-F191 HydrophobicContact CB-CE2 3.44Å; A144-F191 VanDerWaalsContact CB-CE2 3.44Å; A144-F191 HydrophobicContact CB-CG 4.1Å; A144-F191 HydrophobicContact CB-CZ 4.33Å; A144-I235 HydrophobicContact CB-CD1 4.43Å; A144-I235 HydrophobicContact CB-CG2 4.19Å
145	R	87.5	Confident	84.3	Confident	91 Å²	91	35.5 Å²	35.5	34%	0.343	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-43.1	174.3	-73.1	179	-174.5	177.4	3.7	112.4	T141 L142 I143 V147 A148 K149 F155	T141-R145 WeakPolarHBondContact O-CG 3.24Å; T141-R145 PolarHBondContact O-N 3.24Å; L142-R145 PolarHBondContact O-N 2.87Å; I143-R145 VanDerWaalsContact C-N 3.29Å; I143-R145 PolarHBondContact O-N 3.04Å; R145-V147 VanDerWaalsContact C-N 3.32Å; R145-V147 PolarHBondContact O-N 2.85Å; R145-A148 PolarHBondContact O-N 3.35Å; R145-K149 PolarHBondContact O-N 3.09Å; R145-F155 HydrophobicContact CG-CD1 4.19Å; R145-F155 HydrophobicContact CG-CE1 3.72Å; R145-F155 HydrophobicContact CG-CE2 4.14Å; R145-F155 HydrophobicContact CG-CZ 3.67Å
146	A	86.8	Confident	84.6	Confident	2 Å²	2	33.3 Å²	33.3	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-39.9	176.9	0	0	0	0	0	111.9	A92 W94 I97 L142 I143 K149 D150	A92-A146 WeakPolarHBondContact O-CA 3.28Å; W94-A146 HydrophobicContact CE3-CB 4.36Å; W94-A146 HydrophobicContact CZ3-CB 4.3Å; I97-A146 HydrophobicContact CD1-CB 3.54Å; L142-A146 PolarHBondContact O-N 2.91Å; I143-A146 PolarHBondContact O-N 2.79Å; A146-K149 PolarHBondContact O-N 2.7Å; A146-D150 WeakPolarHBondContact O-CB 3.49Å; A146-D150 PolarHBondContact O-N 2.86Å
147	V	88.5	Confident	84.8	Confident	1 Å²	1	30 Å²	30	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-45.8	174.7	168.5	0	0	0	0	111.5	W94 L107 V111 I112 I143 R145 A151 I189 I235	W94-V147 HydrophobicContact CH2-CG2 3.98Å; L107-V147 HydrophobicContact CB-CG2 4.45Å; L107-V147 HydrophobicContact CD1-CG2 4.22Å; V111-V147 HydrophobicContact CB-CG1 4.33Å; V111-V147 HydrophobicContact CG1-CG1 3.81Å; I112-V147 HydrophobicContact CD1-CB 4.45Å; I112-V147 HydrophobicContact CD1-CG1 4.32Å; I112-V147 HydrophobicContact CD1-CG2 4.23Å; I112-V147 HydrophobicContact CG1-CB 4.49Å; I112-V147 HydrophobicContact CG1-CG1 3.88Å; I143-V147 HydrophobicContact CG2-CG2 4.37Å; I143-V147 VanDerWaalsContact O-CG2 3.31Å; I143-V147 WeakPolarHBondContact O-CG2 3.31Å; I143-V147 PolarHBondContact O-N 3.42Å; R145-V147 VanDerWaalsContact C-N 3.32Å; R145-V147 PolarHBondContact O-N 2.85Å; V147-A151 WeakPolarHBondContact O-CB 3.27Å; V147-A151 PolarHBondContact O-N 3.04Å; V147-I189 HydrophobicContact CG1-CD1 3.82Å; V147-I235 HydrophobicContact CG1-CD1 4.26Å
148	A	87.6	Confident	85	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-44.3	178.5	0	0	0	0	0	112.6	A144 R145 A151 G152 A153 F155 I189	A144-A148 PolarHBondContact O-N 2.9Å; A144-A148 VanDerWaalsContact O-N 3.15Å; R145-A148 PolarHBondContact O-N 3.35Å; A148-A151 PolarHBondContact O-N 2.99Å; A148-G152 PolarHBondContact O-N 3.06Å; A148-G152 VanDerWaalsContact O-N 3.14Å; A148-A153 PolarHBondContact O-N 3.33Å; A148-F155 HydrophobicContact CB-CB 3.88Å; A148-F155 HydrophobicContact CB-CD2 3.62Å; A148-F155 HydrophobicContact CB-CG 4.18Å; A148-I189 HydrophobicContact CB-CB 4.3Å; A148-I189 HydrophobicContact CB-CD1 3.89Å; A148-I189 HydrophobicContact CB-CG1 4.36Å
149	K	84.6	Confident	84.8	Confident	105 Å²	105	30.6 Å²	30.6	46%	0.457	18%	0.175	S	C	.	.	H	α-helix	trans	-60.4	-49.5	177.5	-176.1	177.4	-175.5	177.2	0	111.5	G91 R145 A146 G152	G91-K149 WeakPolarHBondContact O-CD 3.47Å; G91-K149 PolarHBondContact O-NZ 2.79Å; R145-K149 PolarHBondContact O-N 3.09Å; A146-K149 PolarHBondContact O-N 2.7Å; K149-G152 PolarHBondContact O-N 2.86Å
150	D	84.1	Confident	84.4	Confident	50 Å²	50	30 Å²	30	27%	0.267	16%	0.164	S	C	.	.	H	α-helix	trans	-67	-38.5	179.9	-168.9	15.4	0	0	0	111.5	W94 I112 K116 A146 G152	W94-D150 HydrophobicContact CZ2-CB 3.8Å; W94-D150 WeakPolarHBondContact CZ2-OD2 3.21Å; W94-D150 VanDerWaalsContact NE1-CG 3.29Å; W94-D150 PolarHBondContact NE1-OD2 3.31Å; I112-D150 HydrophobicContact CD1-CB 4.26Å; I112-D150 HydrophobicContact CG2-CB 4.41Å; K116-D150 WeakPolarHBondContact CE-O 3.33Å; K116-D150 PolarHBondContact NZ-O 2.77Å; K116-D150 IonicContact NZ-OD1 2.95Å; K116-D150 PolarHBondContact NZ-OD1 3.2Å; A146-D150 WeakPolarHBondContact O-CB 3.49Å; A146-D150 PolarHBondContact O-N 2.86Å; D150-G152 PolarHBondContact O-N 2.87Å
151	A	84.8	Confident	83.3	Confident	6 Å²	6	32.2 Å²	32.2	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-10.3	175.5	0	0	0	0	0	114.4	I112 L115 V147 A148 A153	I112-A151 HydrophobicContact CG1-CB 4.37Å; I112-A151 HydrophobicContact CG2-CB 4.22Å; L115-A151 HydrophobicContact CB-CB 4.04Å; L115-A151 HydrophobicContact CD1-CB 3.85Å; V147-A151 WeakPolarHBondContact O-CB 3.27Å; V147-A151 PolarHBondContact O-N 3.04Å; A148-A151 PolarHBondContact O-N 2.99Å; A151-A153 HydrophobicContact CB-CB 4.11Å; A151-A153 PolarHBondContact O-N 3.29Å
152	G	82.6	Confident	82.3	Confident	61 Å²	61	31.4 Å²	31.4	63%	0.629	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	27.5	-170.6	0	0	0	0	0	112.5	A148 K149 D150	A148-G152 PolarHBondContact O-N 3.06Å; A148-G152 VanDerWaalsContact O-N 3.14Å; K149-G152 PolarHBondContact O-N 2.86Å; D150-G152 PolarHBondContact O-N 2.87Å
153	A	84	Confident	81.3	Confident	9 Å²	9	28.3 Å²	28.3	7%	0.074	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-99.7	143.3	-176.1	0	0	0	0	0	111.4	A148 A151 F155 P187 I189	A148-A153 PolarHBondContact O-N 3.33Å; A151-A153 HydrophobicContact CB-CB 4.11Å; A151-A153 PolarHBondContact O-N 3.29Å; A153-F155 PolarHBondContact O-N 3.49Å; A153-P187 CarbonylContact C-O 3.58Å; A153-P187 VanDerWaalsContact CA-O 3.27Å; A153-P187 WeakPolarHBondContact CA-O 3.3Å; A153-P187 HydrophobicContact CB-CB 4.04Å; A153-P187 HydrophobicContact CB-CG 4.36Å; A153-I189 HydrophobicContact CB-CD1 4.33Å; A153-I189 HydrophobicContact CB-CG1 3.93Å
154	T	83.9	Confident	79.9	Confident	37 Å²	37	31.8 Å²	31.8	23%	0.227	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.6	175.3	-53	0	0	0	0	110.2	I84 I185 P187 A188 I189	I84-T154 HydrophobicContact CG2-CG2 3.99Å; T154-I185 HydrophobicContact CG2-CD1 3.53Å; T154-I185 HydrophobicContact CG2-CG1 4.34Å; T154-P187 PolarHBondContact N-O 3.34Å; T154-A188 CarbonylContact O-C 3.59Å; T154-A188 WeakPolarHBondContact O-CA 3.36Å; T154-I189 PolarHBondContact O-N 3.5Å
155	F	85.2	Confident	78.3	Confident	5 Å²	5	37.8 Å²	37.8	2%	0.022	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.6	179.1	-170.3	-101.5	0	0	0	111.3	V85 A144 R145 A148 A153 N157 I189 F191	V85-F155 CarbonylContact C-O 3.55Å; V85-F155 HydrophobicContact CB-CD1 4.36Å; V85-F155 PolarHBondContact N-O 3.49Å; A144-F155 HydrophobicContact CB-CE2 4.03Å; A144-F155 HydrophobicContact CB-CZ 4.4Å; R145-F155 HydrophobicContact CG-CD1 4.19Å; R145-F155 HydrophobicContact CG-CE1 3.72Å; R145-F155 HydrophobicContact CG-CE2 4.14Å; R145-F155 HydrophobicContact CG-CZ 3.67Å; A148-F155 HydrophobicContact CB-CB 3.88Å; A148-F155 HydrophobicContact CB-CD2 3.62Å; A148-F155 HydrophobicContact CB-CG 4.18Å; A153-F155 PolarHBondContact O-N 3.49Å; F155-N157 HydrophobicContact CD1-CB 4.42Å; F155-N157 HydrophobicContact CE1-CB 3.93Å; F155-I189 HydrophobicContact CD2-CB 4.44Å; F155-I189 HydrophobicContact CD2-CG2 4.24Å; F155-I189 HydrophobicContact CE2-CG2 4.45Å; F155-F191 HydrophobicContact CD2-CB 4.41Å; F155-F191 HydrophobicContact CE1-CB 4.13Å; F155-F191 HydrophobicContact CE2-CB 3.44Å; F155-F191 VanDerWaalsContact CE2-CB 3.44Å; F155-F191 HydrophobicContact CE2-CG 4.01Å; F155-F191 HydrophobicContact CZ-CB 3.27Å; F155-F191 AromaticContact CZ-CD1 3.87Å; F155-F191 HydrophobicContact CZ-CD1 3.87Å; F155-F191 HydrophobicContact CZ-CD2 4.39Å; F155-F191 AromaticContact CZ-CG 3.6Å; F155-F191 HydrophobicContact CZ-CG 3.6Å
156	I	85.5	Confident	76.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.1	175.3	-57.2	170.1	0	0	0	107.3	L158 V178 A182 I185 I189 I190 F191	I156-L158 PolarHBondContact O-N 3.06Å; I156-V178 HydrophobicContact CG2-CG1 4.12Å; I156-A182 HydrophobicContact CD1-CB 3.71Å; I156-I185 HydrophobicContact CD1-CD1 3.95Å; I156-I185 HydrophobicContact CG1-CD1 4.34Å; I156-I189 PolarHBondContact N-O 2.98Å; I156-I190 HydrophobicContact CB-CG1 4.46Å; I156-I190 HydrophobicContact CD1-CG1 4.24Å; I156-I190 CarbonylContact O-C 3.47Å; I156-I190 WeakPolarHBondContact O-CA 3.39Å; I156-F191 PolarHBondContact O-N 3.43Å
157	N	85.4	Confident	74.6	Confident	24 Å²	24	46.7 Å²	46.7	13%	0.128	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	102.4	176.8	-173.4	29.6	0	0	0	109.5	Q83 V85 F155 E159 F191	Q83-N157 PolarHBondContact O-N 2.73Å; V85-N157 HydrophobicContact CG2-CB 4.3Å; F155-N157 HydrophobicContact CD1-CB 4.42Å; F155-N157 HydrophobicContact CE1-CB 3.93Å; N157-E159 PolarHBondContact O-N 2.9Å; N157-F191 WeakPolarHBondContact OD1-CD1 3.49Å
158	L	80.8	Confident	72.7	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.282	C	S	.	.			trans	-93.1	95.2	-178.4	-176.5	61.5	0	0	0	110.2	I156 I160 L163 V178 I190 F191 I192 F217	I156-L158 PolarHBondContact O-N 3.06Å; L158-I160 PolarHBondContact O-N 2.84Å; L158-L163 HydrophobicContact CD1-CD1 3.95Å; L158-L163 HydrophobicContact CD1-CD2 4.38Å; L158-L163 HydrophobicContact CD1-CG 4.13Å; L158-L163 HydrophobicContact CD2-CD1 4.11Å; L158-L163 HydrophobicContact CG-CD1 4.1Å; L158-V178 HydrophobicContact CD1-CG2 4.18Å; L158-I190 HydrophobicContact CB-CG2 4.08Å; L158-I190 HydrophobicContact CD2-CG2 4.2Å; L158-F191 PolarHBondContact N-O 3.37Å; L158-I192 HydrophobicContact CB-CG1 4.32Å; L158-I192 HydrophobicContact CD2-CG1 4.29Å; L158-F217 HydrophobicContact CD2-CE2 3.66Å; L158-F217 HydrophobicContact CD2-CZ 4.31Å
159	E	73.4	Confident	71.2	Confident	101 Å²	101	57.2 Å²	57.2	47%	0.472	30%	0.304	S	S	.	.			trans	-73.9	119.2	170.6	-72	178.7	-173.9	0	0	110.2	N157 S161 S162	N157-E159 PolarHBondContact O-N 2.9Å; E159-S161 VanDerWaalsContact C-N 3.27Å; E159-S161 PolarHBondContact O-N 3.12Å; E159-S162 VanDerWaalsContact O-CB 3.28Å; E159-S162 WeakPolarHBondContact O-CB 3.32Å; E159-S162 PolarHBondContact O-N 3.29Å; E159-S162 VanDerWaalsContact O-N 3.11Å
160	I	70.7	Confident	70.2	Confident	18 Å²	18	55.6 Å²	55.6	9%	0.092	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-38.7	178.9	-73.9	152.7	0	0	0	111.5	L158 S162 L163 T164 I192 F198	L158-I160 PolarHBondContact O-N 2.84Å; I160-S162 PolarHBondContact O-N 3.04Å; I160-L163 WeakPolarHBondContact O-CA 3.18Å; I160-L163 WeakPolarHBondContact O-CB 3.44Å; I160-L163 PolarHBondContact O-N 3.04Å; I160-T164 HydrophobicContact CG2-CG2 4.48Å; I160-T164 PolarHBondContact O-N 3.27Å; I160-T164 VanDerWaalsContact O-N 3.14Å; I160-T164 PolarHBondContact O-OG1 2.91Å; I160-I192 HydrophobicContact CD1-CG2 3.49Å; I160-I192 VanDerWaalsContact CD1-CG2 3.49Å; I160-I192 HydrophobicContact CG1-CG2 3.89Å; I160-F198 HydrophobicContact CB-CB 4.25Å; I160-F198 HydrophobicContact CD1-CB 3.48Å; I160-F198 VanDerWaalsContact CD1-CB 3.48Å; I160-F198 HydrophobicContact CD1-CG 4.38Å; I160-F198 HydrophobicContact CG1-CB 3.74Å; I160-F198 HydrophobicContact CG1-CG 4.15Å; I160-F198 HydrophobicContact CG2-CB 3.52Å; I160-F198 HydrophobicContact CG2-CD2 3.65Å; I160-F198 HydrophobicContact CG2-CG 3.75Å
161	S	65.3	Low	69.2	Low	56 Å²	56	53.6 Å²	53.6	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-52.6	-40.2	175.9	49.3	0	0	0	0	111.5	E159 L163 T164 D165	E159-S161 VanDerWaalsContact C-N 3.27Å; E159-S161 PolarHBondContact O-N 3.12Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 3.16Å; S161-T164 PolarHBondContact O-N 2.97Å; S161-T164 PolarHBondContact O-OG1 3.49Å; S161-T164 VanDerWaalsContact O-OG1 3.1Å; S161-D165 VanDerWaalsContact O-CB 3.27Å; S161-D165 WeakPolarHBondContact O-CB 3.33Å; S161-D165 PolarHBondContact O-N 2.91Å
162	S	64.2	Low	68.3	Low	24 Å²	24	56.5 Å²	56.5	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-23.2	176.9	-68.3	0	0	0	0	114.2	Q83 E159 I160	Q83-S162 PolarHBondContact NE2-OG 3.07Å; E159-S162 VanDerWaalsContact O-CB 3.28Å; E159-S162 WeakPolarHBondContact O-CB 3.32Å; E159-S162 PolarHBondContact O-N 3.29Å; E159-S162 VanDerWaalsContact O-N 3.11Å; I160-S162 PolarHBondContact O-N 3.04Å
163	L	64.8	Low	67.7	Low	2 Å²	2	60 Å²	60	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-82	-34.7	174.5	-70.2	167.5	0	0	0	111.8	L158 I160 S161 S171 L174 A175 M213	L158-L163 HydrophobicContact CD1-CD1 3.95Å; L158-L163 HydrophobicContact CD1-CD2 4.38Å; L158-L163 HydrophobicContact CD1-CG 4.13Å; L158-L163 HydrophobicContact CD2-CD1 4.11Å; L158-L163 HydrophobicContact CG-CD1 4.1Å; I160-L163 WeakPolarHBondContact O-CA 3.18Å; I160-L163 WeakPolarHBondContact O-CB 3.44Å; I160-L163 PolarHBondContact O-N 3.04Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 3.16Å; L163-S171 WeakPolarHBondContact O-CB 3.27Å; L163-S171 PolarHBondContact O-OG 3.2Å; L163-L174 HydrophobicContact CD2-CB 4.26Å; L163-L174 HydrophobicContact CD2-CD2 3.49Å; L163-L174 VanDerWaalsContact CD2-CD2 3.49Å; L163-L174 HydrophobicContact CD2-CG 4.46Å; L163-L174 HydrophobicContact CG-CD2 4.47Å; L163-A175 HydrophobicContact CD2-CB 4.33Å; L163-M213 HydrophobicContact CB-SD 3.95Å
164	T	60.5	Low	67	Low	74 Å²	74	59.8 Å²	59.8	45%	0.454	30%	0.296	S	S	.	.	H	α-helix	trans	-84.5	-32.9	-178.8	53.7	0	0	0	0	113.3	I160 S161 K166 F198	I160-T164 HydrophobicContact CG2-CG2 4.48Å; I160-T164 PolarHBondContact O-N 3.27Å; I160-T164 VanDerWaalsContact O-N 3.14Å; I160-T164 PolarHBondContact O-OG1 2.91Å; S161-T164 PolarHBondContact O-N 2.97Å; S161-T164 PolarHBondContact O-OG1 3.49Å; S161-T164 VanDerWaalsContact O-OG1 3.1Å; T164-K166 VanDerWaalsContact C-N 3.3Å; T164-K166 PolarHBondContact O-N 3.37Å; T164-F198 HydrophobicContact CG2-CD2 4.47Å; T164-F198 HydrophobicContact CG2-CE2 4.39Å
165	D	55.2	Low	66.5	Low	126 Å²	126	58 Å²	58	67%	0.674	29%	0.285	S	S	*	.	S	Bend	trans	-74.5	-19.2	-173.7	-75.3	-14.8	0	0	0	113.8	S161 W167	S161-D165 VanDerWaalsContact O-CB 3.27Å; S161-D165 WeakPolarHBondContact O-CB 3.33Å; S161-D165 PolarHBondContact O-N 2.91Å; D165-W167 PolarHBondContact O-N 3.02Å
166	K	52.3	Low	66.1	Low	70 Å²	70	59 Å²	59	30%	0.304	29%	0.294	S	S	.	.	S	Bend	trans	-104	93.2	-171.7	-67.3	-179.9	-174.7	165.6	0	110.5	T164 S171	T164-K166 VanDerWaalsContact C-N 3.3Å; T164-K166 PolarHBondContact O-N 3.37Å; K166-S171 PolarHBondContact O-OG 3.35Å
167	W	44.4	Very low	65.7	Low	209 Å²	209	59 Å²	59	79%	0.792	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	110.5	159.3	-69.4	75.9	0	0	0	115.5	D165 G169 E170	D165-W167 PolarHBondContact O-N 3.02Å; W167-G169 PolarHBondContact O-N 3.41Å; W167-E170 PolarHBondContact O-N 3.36Å
168	Y	47.7	Very low	65.4	Low	179 Å²	179	57.9 Å²	57.9	70%	0.702	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32	104.9	168	-91.8	-113.6	0	0	0	112.1	T209	Y168-T209 HydrophobicContact CD1-CG2 3.72Å; Y168-T209 HydrophobicContact CE1-CG2 3.64Å; Y168-T209 WeakPolarHBondContact CE1-OG1 3.35Å; Y168-T209 HydrophobicContact CG-CG2 4.3Å
169	G	57	Low	65.6	Low	45 Å²	45	58 Å²	58	46%	0.464	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.9	-24.4	179.4	0	0	0	0	0	116.5	W167	W167-G169 PolarHBondContact O-N 3.41Å
170	E	62.4	Low	66.1	Low	71 Å²	71	55.7 Å²	55.7	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-79.1	-27	172.5	-78	-158.6	154.9	0	0	112.3	W167 E172 K173 L174	W167-E170 PolarHBondContact O-N 3.36Å; E170-E172 VanDerWaalsContact C-N 3.3Å; E170-E172 PolarHBondContact O-N 3.19Å; E170-K173 PolarHBondContact O-N 3.12Å; E170-K173 VanDerWaalsContact O-N 3.08Å; E170-L174 PolarHBondContact O-N 2.69Å
171	S	63.3	Low	66.6	Low	7 Å²	7	56.4 Å²	56.4	5%	0.049	29%	0.285	C	S	.	.	H	α-helix	trans	-54.6	-41.5	-180	-38.9	0	0	0	0	113.3	L163 K166 L174 A175	L163-S171 WeakPolarHBondContact O-CB 3.27Å; L163-S171 PolarHBondContact O-OG 3.2Å; K166-S171 PolarHBondContact O-OG 3.35Å; S171-L174 PolarHBondContact O-N 3.11Å; S171-A175 PolarHBondContact O-N 3.02Å
172	E	65.7	Low	67.5	Low	68 Å²	68	53.8 Å²	53.8	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-41.6	177.8	-70	-176.1	171.1	0	0	112.2	E170 L174 A176 Q216	E170-E172 VanDerWaalsContact C-N 3.3Å; E170-E172 PolarHBondContact O-N 3.19Å; E172-L174 VanDerWaalsContact C-N 3.31Å; E172-A176 WeakPolarHBondContact O-CB 3.43Å; E172-A176 PolarHBondContact O-N 3.45Å; E172-Q216 HydrophobicContact CB-CG 4.48Å
173	K	70.7	Confident	68.5	Low	134 Å²	134	57 Å²	57	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-68.3	-35.1	177.6	-66.1	-179.9	-176.8	171.9	0	111	P76 E170 A177	P76-K173 HydrophobicContact CB-CB 4.12Å; P76-K173 HydrophobicContact CG-CB 4.28Å; E170-K173 PolarHBondContact O-N 3.12Å; E170-K173 VanDerWaalsContact O-N 3.08Å; K173-A177 WeakPolarHBondContact O-CB 3.4Å; K173-A177 PolarHBondContact O-N 3.13Å
174	L	69.3	Low	69.3	Low	4 Å²	4	61 Å²	61	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-45.5	178	-157.9	142.2	0	0	0	110.8	A79 L163 E170 S171 E172 A176 A177 V178	A79-L174 HydrophobicContact CB-CD1 3.51Å; L163-L174 HydrophobicContact CD2-CB 4.26Å; L163-L174 HydrophobicContact CD2-CD2 3.49Å; L163-L174 VanDerWaalsContact CD2-CD2 3.49Å; L163-L174 HydrophobicContact CD2-CG 4.46Å; L163-L174 HydrophobicContact CG-CD2 4.47Å; E170-L174 PolarHBondContact O-N 2.69Å; S171-L174 PolarHBondContact O-N 3.11Å; E172-L174 VanDerWaalsContact C-N 3.31Å; L174-A176 PolarHBondContact O-N 3.11Å; L174-A177 PolarHBondContact O-N 3.34Å; L174-V178 HydrophobicContact CD2-CG2 4.18Å; L174-V178 WeakPolarHBondContact O-CG2 3.45Å; L174-V178 PolarHBondContact O-N 2.79Å
175	A	72.8	Confident	70.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-50.6	172	0	0	0	0	0	111.1	L163 S171 A177 V178 F179	L163-A175 HydrophobicContact CD2-CB 4.33Å; S171-A175 PolarHBondContact O-N 3.02Å; A175-A177 VanDerWaalsContact C-N 3.31Å; A175-A177 PolarHBondContact O-N 3.36Å; A175-V178 PolarHBondContact O-N 3.34Å; A175-F179 WeakPolarHBondContact O-CD2 3.49Å; A175-F179 PolarHBondContact O-N 2.86Å
176	A	76.4	Confident	71.5	Confident	25 Å²	25	54.5 Å²	54.5	21%	0.207	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-38.1	177.2	0	0	0	0	0	112.9	E172 L174 T180	E172-A176 WeakPolarHBondContact O-CB 3.43Å; E172-A176 PolarHBondContact O-N 3.45Å; L174-A176 PolarHBondContact O-N 3.11Å; A176-T180 VanDerWaalsContact O-CB 3.3Å; A176-T180 WeakPolarHBondContact O-CB 3.46Å; A176-T180 PolarHBondContact O-N 2.86Å; A176-T180 PolarHBondContact O-OG1 3.28Å
177	A	77	Confident	73.1	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-42.2	177.5	0	0	0	0	0	112.2	Y77 A80 K173 L174 A175 T180 L181	Y77-A177 HydrophobicContact CD1-CB 3.86Å; Y77-A177 HydrophobicContact CE1-CB 3.82Å; Y77-A177 HydrophobicContact CG-CB 4.37Å; A80-A177 HydrophobicContact CB-CB 4.11Å; K173-A177 WeakPolarHBondContact O-CB 3.4Å; K173-A177 PolarHBondContact O-N 3.13Å; L174-A177 PolarHBondContact O-N 3.34Å; A175-A177 VanDerWaalsContact C-N 3.31Å; A175-A177 PolarHBondContact O-N 3.36Å; A177-T180 PolarHBondContact O-N 3.23Å; A177-L181 WeakPolarHBondContact O-CB 3.29Å; A177-L181 PolarHBondContact O-N 2.88Å
178	V	80.4	Confident	75.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-47	176.6	169.7	0	0	0	0	110.8	A80 I156 L158 L174 A175 L181 A182 I190	A80-V178 HydrophobicContact CB-CG2 3.75Å; I156-V178 HydrophobicContact CG2-CG1 4.12Å; L158-V178 HydrophobicContact CD1-CG2 4.18Å; L174-V178 HydrophobicContact CD2-CG2 4.18Å; L174-V178 WeakPolarHBondContact O-CG2 3.45Å; L174-V178 PolarHBondContact O-N 2.79Å; A175-V178 PolarHBondContact O-N 3.34Å; V178-L181 PolarHBondContact O-N 2.66Å; V178-A182 WeakPolarHBondContact O-CB 3.4Å; V178-A182 PolarHBondContact O-N 3.49Å; V178-I190 HydrophobicContact CG1-CD1 4.3Å
179	F	85.2	Confident	77.2	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-67.5	-40.3	178.8	-79.1	-110.6	0	0	0	112	A175 L181 A182 K183 F217 N220 W221 F224 I234	A175-F179 WeakPolarHBondContact O-CD2 3.49Å; A175-F179 PolarHBondContact O-N 2.86Å; F179-L181 VanDerWaalsContact C-N 3.32Å; F179-L181 PolarHBondContact O-N 3.38Å; F179-A182 PolarHBondContact O-N 2.8Å; F179-K183 WeakPolarHBondContact O-CB 3.48Å; F179-K183 PolarHBondContact O-N 3.2Å; F179-F217 AromaticContact CE2-CD2 3.71Å; F179-F217 HydrophobicContact CE2-CD2 3.71Å; F179-F217 HydrophobicContact CE2-CE1 4.49Å; F179-F217 AromaticContact CE2-CE2 3.37Å; F179-F217 HydrophobicContact CE2-CE2 3.37Å; F179-F217 HydrophobicContact CE2-CG 4.38Å; F179-F217 AromaticContact CE2-CZ 3.78Å; F179-F217 HydrophobicContact CE2-CZ 3.78Å; F179-F217 HydrophobicContact CZ-CD1 4.29Å; F179-F217 HydrophobicContact CZ-CD2 4.02Å; F179-F217 AromaticContact CZ-CE1 3.9Å; F179-F217 HydrophobicContact CZ-CE1 3.9Å; F179-F217 AromaticContact CZ-CE2 3.62Å; F179-F217 HydrophobicContact CZ-CE2 3.62Å; F179-F217 HydrophobicContact CZ-CG 4.32Å; F179-F217 AromaticContact CZ-CZ 3.5Å; F179-F217 HydrophobicContact CZ-CZ 3.5Å; F179-N220 HydrophobicContact CB-CB 3.99Å; F179-N220 HydrophobicContact CD1-CB 3.45Å; F179-N220 VanDerWaalsContact CD1-CB 3.45Å; F179-N220 HydrophobicContact CD2-CB 4.05Å; F179-N220 HydrophobicContact CE1-CB 3.89Å; F179-N220 HydrophobicContact CE2-CB 4.38Å; F179-N220 HydrophobicContact CG-CB 3.57Å; F179-N220 HydrophobicContact CZ-CB 4.32Å; F179-W221 HydrophobicContact CE1-CB 4.03Å; F179-F224 HydrophobicContact CB-CE1 4.29Å; F179-F224 HydrophobicContact CB-CE2 4.33Å; F179-F224 HydrophobicContact CB-CZ 3.66Å; F179-F224 AromaticContact CD1-CD2 3.79Å; F179-F224 HydrophobicContact CD1-CD2 3.79Å; F179-F224 HydrophobicContact CD1-CE1 4.09Å; F179-F224 AromaticContact CD1-CE2 3.06Å; F179-F224 HydrophobicContact CD1-CE2 3.06Å; F179-F224 AromaticContact CD1-CZ 3.26Å; F179-F224 HydrophobicContact CD1-CZ 3.26Å; F179-F224 AromaticContact CE1-CD2 3.98Å; F179-F224 HydrophobicContact CE1-CD2 3.98Å; F179-F224 AromaticContact CE1-CE2 3.53Å; F179-F224 HydrophobicContact CE1-CE2 3.53Å; F179-F224 HydrophobicContact CE1-CZ 4.19Å; F179-F224 AromaticContact CG-CE2 3.95Å; F179-F224 HydrophobicContact CG-CE2 3.95Å; F179-F224 AromaticContact CG-CZ 3.79Å; F179-F224 HydrophobicContact CG-CZ 3.79Å; F179-F224 WeakPolarHBondContact O-CZ 3.38Å; F179-I234 HydrophobicContact CE1-CD1 3.6Å; F179-I234 HydrophobicContact CZ-CD1 3.72Å
180	T	82.6	Confident	78.8	Confident	52 Å²	52	32 Å²	32	32%	0.319	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-40.5	176.1	-59.1	0	0	0	0	111.7	A176 A177 K183 K184	A176-T180 VanDerWaalsContact O-CB 3.3Å; A176-T180 WeakPolarHBondContact O-CB 3.46Å; A176-T180 PolarHBondContact O-N 2.86Å; A176-T180 PolarHBondContact O-OG1 3.28Å; A177-T180 PolarHBondContact O-N 3.23Å; T180-K183 PolarHBondContact O-N 3.25Å; T180-K184 WeakPolarHBondContact O-CG 3.42Å; T180-K184 PolarHBondContact O-N 3.2Å
181	L	81.3	Confident	80.1	Confident	33 Å²	33	28.6 Å²	28.6	17%	0.173	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-47.9	177.3	172.8	64.1	0	0	0	111.2	I84 A177 V178 F179 K183 K184 I185	I84-L181 HydrophobicContact CD1-CD1 4.16Å; I84-L181 HydrophobicContact CD1-CD2 3.35Å; I84-L181 HydrophobicContact CD1-CG 4.16Å; I84-L181 HydrophobicContact CG1-CD2 3.68Å; A177-L181 WeakPolarHBondContact O-CB 3.29Å; A177-L181 PolarHBondContact O-N 2.88Å; V178-L181 PolarHBondContact O-N 2.66Å; F179-L181 VanDerWaalsContact C-N 3.32Å; F179-L181 PolarHBondContact O-N 3.38Å; L181-K183 PolarHBondContact O-N 3.16Å; L181-K184 PolarHBondContact O-N 2.81Å; L181-I185 HydrophobicContact CD1-CD1 4.46Å; L181-I185 HydrophobicContact CD1-CG2 4Å; L181-I185 HydrophobicContact CG-CD1 4.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 3.13Å; L181-I185 VanDerWaalsContact O-N 3.08Å
182	A	84.6	Confident	81.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.4	-40.8	174.7	0	0	0	0	0	111.3	I156 V178 F179 K184 I185 Q186 A188 I190 F224 V232	I156-A182 HydrophobicContact CD1-CB 3.71Å; V178-A182 WeakPolarHBondContact O-CB 3.4Å; V178-A182 PolarHBondContact O-N 3.49Å; F179-A182 PolarHBondContact O-N 2.8Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 3.25Å; A182-I185 PolarHBondContact O-N 3.46Å; A182-Q186 WeakPolarHBondContact O-CG 3.3Å; A182-A188 HydrophobicContact CB-CB 4.32Å; A182-I190 HydrophobicContact CB-CD1 3.74Å; A182-I190 HydrophobicContact CB-CG1 4.01Å; A182-F224 HydrophobicContact CB-CZ 4.32Å; A182-V232 HydrophobicContact CB-CG1 3.97Å; A182-V232 HydrophobicContact CB-CG2 4.24Å
183	K	84.3	Confident	82.4	Confident	92 Å²	92	28 Å²	28	40%	0.4	14%	0.14	S	C	.	.	H	α-helix	trans	-65.1	-26.8	175.4	-161.9	173	-178.4	160.8	0	113.3	F179 T180 L181 Q186 F224 D227	F179-K183 WeakPolarHBondContact O-CB 3.48Å; F179-K183 PolarHBondContact O-N 3.2Å; T180-K183 PolarHBondContact O-N 3.25Å; L181-K183 PolarHBondContact O-N 3.16Å; K183-Q186 VanDerWaalsContact CG-NE2 3.29Å; K183-Q186 WeakPolarHBondContact O-CG 3.31Å; K183-Q186 PolarHBondContact O-NE2 3.46Å; K183-F224 HydrophobicContact CB-CE1 4.14Å; K183-D227 VanDerWaalsContact CE-OD2 3.28Å; K183-D227 WeakPolarHBondContact CE-OD2 3.47Å; K183-D227 IonicContact NZ-OD2 2.71Å; K183-D227 PolarHBondContact NZ-OD2 2.91Å
184	K	82.2	Confident	82.9	Confident	86 Å²	86	26.7 Å²	26.7	37%	0.374	14%	0.137	S	C	.	.	H	α-helix	trans	-85.2	-30.3	178.9	-74.2	177.3	179.2	-177.9	0	113.5	T180 L181 A182	T180-K184 WeakPolarHBondContact O-CG 3.42Å; T180-K184 PolarHBondContact O-N 3.2Å; L181-K184 PolarHBondContact O-N 2.81Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 3.25Å
185	I	82.8	Confident	83.7	Confident	36 Å²	36	26.5 Å²	26.5	19%	0.185	14%	0.136	C	C	.	.	S	Bend	trans	-101	17.5	-172.9	71	-173.2	0	0	0	113.7	T154 I156 L181 A182 A188	T154-I185 HydrophobicContact CG2-CD1 3.53Å; T154-I185 HydrophobicContact CG2-CG1 4.34Å; I156-I185 HydrophobicContact CD1-CD1 3.95Å; I156-I185 HydrophobicContact CG1-CD1 4.34Å; L181-I185 HydrophobicContact CD1-CD1 4.46Å; L181-I185 HydrophobicContact CD1-CG2 4Å; L181-I185 HydrophobicContact CG-CD1 4.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 3.13Å; L181-I185 VanDerWaalsContact O-N 3.08Å; A182-I185 PolarHBondContact O-N 3.46Å; I185-A188 HydrophobicContact CG1-CB 3.99Å
186	Q	80	Confident	84.1	Confident	27 Å²	27	27.1 Å²	27.1	13%	0.126	14%	0.139	C	C	.	.			trans	-58.9	140	-172.8	-61.4	-177.7	46.9	0	0	113	A182 K183 C230 R231 V232	A182-Q186 WeakPolarHBondContact O-CG 3.3Å; K183-Q186 VanDerWaalsContact CG-NE2 3.29Å; K183-Q186 WeakPolarHBondContact O-CG 3.31Å; K183-Q186 PolarHBondContact O-NE2 3.46Å; Q186-C230 VanDerWaalsContact OE1-CA 3.31Å; Q186-R231 HydrophobicContact CB-CB 4.45Å; Q186-V232 HydrophobicContact CG-CG2 3.59Å
187	P	85.9	Confident	83.8	Confident	30 Å²	30	28.9 Å²	28.9	20%	0.195	15%	0.149	C	C	.	.	S	Bend	cis	-74.3	140.1	7.1	29.2	-32.7	0	0	0	112.9	L115 A153 T154 R231	L115-P187 HydrophobicContact CD2-CB 4.1Å; A153-P187 CarbonylContact C-O 3.58Å; A153-P187 VanDerWaalsContact CA-O 3.27Å; A153-P187 WeakPolarHBondContact CA-O 3.3Å; A153-P187 HydrophobicContact CB-CB 4.04Å; A153-P187 HydrophobicContact CB-CG 4.36Å; T154-P187 PolarHBondContact N-O 3.34Å; P187-R231 WeakPolarHBondContact CA-O 3.08Å; P187-R231 HydrophobicContact CB-CB 4.2Å
188	A	86.9	Confident	83.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146	-177.2	0	0	0	0	0	112.1	T154 A182 I185 R231 V232 V233	T154-A188 CarbonylContact O-C 3.59Å; T154-A188 WeakPolarHBondContact O-CA 3.36Å; A182-A188 HydrophobicContact CB-CB 4.32Å; I185-A188 HydrophobicContact CG1-CB 3.99Å; A188-R231 PolarHBondContact N-O 2.94Å; A188-R231 VanDerWaalsContact N-O 3.08Å; A188-V232 HydrophobicContact CB-CG2 4.45Å; A188-V232 WeakPolarHBondContact O-CA 3.36Å; A188-V233 PolarHBondContact O-N 3.24Å
189	I	90.1	Very high	82.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.9	174.3	-62.5	-169.4	0	0	0	108.7	L115 V147 A148 A153 T154 F155 I156 V233 I235	L115-I189 HydrophobicContact CD1-CD1 3.9Å; L115-I189 HydrophobicContact CD1-CG1 4.14Å; V147-I189 HydrophobicContact CG1-CD1 3.82Å; A148-I189 HydrophobicContact CB-CB 4.3Å; A148-I189 HydrophobicContact CB-CD1 3.89Å; A148-I189 HydrophobicContact CB-CG1 4.36Å; A153-I189 HydrophobicContact CB-CD1 4.33Å; A153-I189 HydrophobicContact CB-CG1 3.93Å; T154-I189 PolarHBondContact O-N 3.5Å; F155-I189 HydrophobicContact CD2-CB 4.44Å; F155-I189 HydrophobicContact CD2-CG2 4.24Å; F155-I189 HydrophobicContact CE2-CG2 4.45Å; I156-I189 PolarHBondContact N-O 2.98Å; I189-V233 CarbonylContact C-O 2.95Å; I189-V233 VanDerWaalsContact CA-O 3.29Å; I189-V233 WeakPolarHBondContact CA-O 3.19Å; I189-V233 HydrophobicContact CG1-CB 4.42Å; I189-I235 HydrophobicContact CD1-CD1 4.21Å; I189-I235 HydrophobicContact CG2-CB 4.37Å; I189-I235 HydrophobicContact CG2-CD1 3.6Å; I189-I235 HydrophobicContact CG2-CG1 3.72Å
190	I	90.4	Very high	81.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.6	171.2	-55.5	174.7	0	0	0	107.4	I156 L158 V178 A182 I192 F224 V232 V233 I234 I235	I156-I190 HydrophobicContact CB-CG1 4.46Å; I156-I190 HydrophobicContact CD1-CG1 4.24Å; I156-I190 CarbonylContact O-C 3.47Å; I156-I190 WeakPolarHBondContact O-CA 3.39Å; L158-I190 HydrophobicContact CB-CG2 4.08Å; L158-I190 HydrophobicContact CD2-CG2 4.2Å; V178-I190 HydrophobicContact CG1-CD1 4.3Å; A182-I190 HydrophobicContact CB-CD1 3.74Å; A182-I190 HydrophobicContact CB-CG1 4.01Å; I190-I192 HydrophobicContact CG2-CG1 4.39Å; I190-F224 HydrophobicContact CD1-CE2 4.03Å; I190-V232 HydrophobicContact CD1-CG1 4.12Å; I190-V232 HydrophobicContact CG1-CG1 4.24Å; I190-V233 PolarHBondContact N-O 3.07Å; I190-I234 HydrophobicContact CB-CG1 4.29Å; I190-I234 HydrophobicContact CD1-CD1 4.42Å; I190-I234 HydrophobicContact CD1-CG1 4.41Å; I190-I234 CarbonylContact O-C 3.56Å; I190-I234 WeakPolarHBondContact O-CA 3.14Å; I190-I235 PolarHBondContact O-N 3.27Å
191	F	91.1	Very high	79.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.3	176.2	-178.6	-103.9	0	0	0	110.9	T141 A144 F155 I156 N157 L158 D193 I235 A237	T141-F191 HydrophobicContact CG2-CD1 4.41Å; T141-F191 HydrophobicContact CG2-CE1 3.68Å; T141-F191 HydrophobicContact CG2-CZ 4.13Å; A144-F191 HydrophobicContact CB-CD2 3.3Å; A144-F191 HydrophobicContact CB-CE2 3.44Å; A144-F191 VanDerWaalsContact CB-CE2 3.44Å; A144-F191 HydrophobicContact CB-CG 4.1Å; A144-F191 HydrophobicContact CB-CZ 4.33Å; F155-F191 HydrophobicContact CD2-CB 4.41Å; F155-F191 HydrophobicContact CE1-CB 4.13Å; F155-F191 HydrophobicContact CE2-CB 3.44Å; F155-F191 VanDerWaalsContact CE2-CB 3.44Å; F155-F191 HydrophobicContact CE2-CG 4.01Å; F155-F191 HydrophobicContact CZ-CB 3.27Å; F155-F191 AromaticContact CZ-CD1 3.87Å; F155-F191 HydrophobicContact CZ-CD1 3.87Å; F155-F191 HydrophobicContact CZ-CD2 4.39Å; F155-F191 AromaticContact CZ-CG 3.6Å; F155-F191 HydrophobicContact CZ-CG 3.6Å; I156-F191 PolarHBondContact O-N 3.43Å; N157-F191 WeakPolarHBondContact OD1-CD1 3.49Å; L158-F191 PolarHBondContact N-O 3.37Å; F191-D193 HydrophobicContact CE1-CB 3.72Å; F191-D193 HydrophobicContact CZ-CB 4.27Å; F191-I235 CarbonylContact C-O 3.58Å; F191-I235 VanDerWaalsContact CA-O 3.26Å; F191-I235 WeakPolarHBondContact CA-O 3.38Å; F191-I235 HydrophobicContact CD2-CB 4.03Å; F191-I235 HydrophobicContact CD2-CG2 3.86Å; F191-I235 WeakPolarHBondContact CD2-O 3.09Å; F191-I235 HydrophobicContact CE2-CG2 4.15Å; F191-A237 HydrophobicContact CE2-CB 3.75Å; F191-A237 HydrophobicContact CZ-CB 3.53Å
192	I	89.1	Confident	78.4	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	105.6	178.6	-52.7	168.5	0	0	0	107.1	L158 I160 I190 I195 F217 I234 I235 G236 A237	L158-I192 HydrophobicContact CB-CG1 4.32Å; L158-I192 HydrophobicContact CD2-CG1 4.29Å; I160-I192 HydrophobicContact CD1-CG2 3.49Å; I160-I192 VanDerWaalsContact CD1-CG2 3.49Å; I160-I192 HydrophobicContact CG1-CG2 3.89Å; I190-I192 HydrophobicContact CG2-CG1 4.39Å; I192-I195 HydrophobicContact CD1-CD1 4.35Å; I192-I195 HydrophobicContact CG2-CB 4.21Å; I192-I195 HydrophobicContact CG2-CG1 4.16Å; I192-F217 HydrophobicContact CD1-CE1 4.02Å; I192-F217 HydrophobicContact CD1-CE2 4.28Å; I192-F217 HydrophobicContact CD1-CZ 3.39Å; I192-I234 HydrophobicContact CD1-CG2 3.7Å; I192-I234 HydrophobicContact CG1-CG2 4.36Å; I192-I235 PolarHBondContact N-O 3.39Å; I192-G236 CarbonylContact O-C 3.58Å; I192-G236 WeakPolarHBondContact O-CA 3.38Å; I192-A237 PolarHBondContact O-N 3.29Å
193	D	86.9	Confident	76.8	Confident	59 Å²	59	51.9 Å²	51.9	32%	0.316	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	151.9	173.3	-141.1	-22.9	0	0	0	110.8	T141 F191 I195	T141-D193 PolarHBondContact OG1-OD2 3.16Å; F191-D193 HydrophobicContact CE1-CB 3.72Å; F191-D193 HydrophobicContact CZ-CB 4.27Å; D193-I195 VanDerWaalsContact C-N 3.31Å; D193-I195 PolarHBondContact O-N 2.89Å
194	E	82.8	Confident	75.2	Confident	108 Å²	108	53.9 Å²	53.9	51%	0.505	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	49.7	-179.2	-57.6	-171.5	159	0	0	113.8	D196 S197 A237	E194-D196 PolarHBondContact O-N 3.28Å; E194-S197 VanDerWaalsContact O-CB 3.31Å; E194-S197 WeakPolarHBondContact O-CB 3.48Å; E194-S197 PolarHBondContact O-N 3.1Å; E194-S197 PolarHBondContact O-OG 3.48Å; E194-A237 WeakPolarHBondContact CA-O 3.47Å; E194-A237 PolarHBondContact N-O 3.3Å
195	I	85.4	Confident	73.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-24.2	-175.4	-165	171.8	0	0	0	113.1	L131 I192 D193 S197 L199 A237 V244 I248 M252	L131-I195 HydrophobicContact CD1-CG2 4Å; I192-I195 HydrophobicContact CD1-CD1 4.35Å; I192-I195 HydrophobicContact CG2-CB 4.21Å; I192-I195 HydrophobicContact CG2-CG1 4.16Å; D193-I195 VanDerWaalsContact C-N 3.31Å; D193-I195 PolarHBondContact O-N 2.89Å; I195-S197 VanDerWaalsContact C-N 3.27Å; I195-S197 PolarHBondContact O-N 3.17Å; I195-L199 HydrophobicContact CD1-CD1 4.06Å; I195-L199 HydrophobicContact CG1-CD1 3.66Å; I195-L199 WeakPolarHBondContact O-CB 3.3Å; I195-L199 PolarHBondContact O-N 2.97Å; I195-A237 PolarHBondContact N-O 2.86Å; I195-V244 HydrophobicContact CG2-CG2 4.07Å; I195-I248 HydrophobicContact CD1-CG2 3.84Å; I195-M252 HydrophobicContact CD1-CE 3.2Å; I195-M252 HydrophobicContact CD1-SD 4.46Å
196	D	80	Confident	72.6	Confident	12 Å²	12	62.9 Å²	62.9	6%	0.064	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-24.7	172	49.9	-70.4	0	0	0	113.8	E194 R200 S238 R240 D243 V244	E194-D196 PolarHBondContact O-N 3.28Å; D196-R200 WeakPolarHBondContact O-CG 3.45Å; D196-S238 VanDerWaalsContact CG-OG 3.23Å; D196-S238 WeakPolarHBondContact OD1-CA 3.39Å; D196-S238 VanDerWaalsContact OD1-CB 3.31Å; D196-S238 WeakPolarHBondContact OD1-CB 3.39Å; D196-S238 PolarHBondContact OD1-OG 3.2Å; D196-R240 HydrophobicContact CB-CB 4.39Å; D196-D243 HydrophobicContact CB-CB 3.88Å; D196-V244 HydrophobicContact CB-CG2 3.97Å
197	S	71.9	Confident	71.8	Confident	62 Å²	62	68 Å²	68	43%	0.434	33%	0.327	S	S	.	.	H	α-helix	trans	-70.3	-42.7	179.9	67.8	0	0	0	0	113	E194 I195	E194-S197 VanDerWaalsContact O-CB 3.31Å; E194-S197 WeakPolarHBondContact O-CB 3.48Å; E194-S197 PolarHBondContact O-N 3.1Å; E194-S197 PolarHBondContact O-OG 3.48Å; I195-S197 VanDerWaalsContact C-N 3.27Å; I195-S197 PolarHBondContact O-N 3.17Å
198	F	65.8	Low	70.9	Confident	9 Å²	9	74.4 Å²	74.4	4%	0.039	36%	0.355	C	S	.	.	H	α-helix	trans	-81.5	-33.5	-179.4	-171.4	-130	0	0	0	112.2	I160 T164 T210 M213 K214	I160-F198 HydrophobicContact CB-CB 4.25Å; I160-F198 HydrophobicContact CD1-CB 3.48Å; I160-F198 VanDerWaalsContact CD1-CB 3.48Å; I160-F198 HydrophobicContact CD1-CG 4.38Å; I160-F198 HydrophobicContact CG1-CB 3.74Å; I160-F198 HydrophobicContact CG1-CG 4.15Å; I160-F198 HydrophobicContact CG2-CB 3.52Å; I160-F198 HydrophobicContact CG2-CD2 3.65Å; I160-F198 HydrophobicContact CG2-CG 3.75Å; T164-F198 HydrophobicContact CG2-CD2 4.47Å; T164-F198 HydrophobicContact CG2-CE2 4.39Å; F198-T210 HydrophobicContact CE2-CG2 4.42Å; F198-M213 HydrophobicContact CE2-CG 4.36Å; F198-M213 HydrophobicContact CE2-SD 3.59Å; F198-M213 VanDerWaalsContact CE2-SD 3.59Å; F198-M213 HydrophobicContact CZ-CB 3.98Å; F198-M213 HydrophobicContact CZ-CG 3.7Å; F198-M213 HydrophobicContact CZ-SD 3.42Å; F198-M213 WeakPolarHBondContact CZ-SD 3.25Å; F198-K214 HydrophobicContact CZ-CG 4.49Å; F198-K214 WeakPolarHBondContact O-CE 3.48Å
199	L	61.9	Low	69.6	Low	2 Å²	2	76.5 Å²	76.5	1%	0.01	37%	0.367	C	S	.	.	S	Bend	trans	-121	47.7	-162.2	-62.6	158	0	0	0	111.9	I195 K214 D245 I248	I195-L199 HydrophobicContact CD1-CD1 4.06Å; I195-L199 HydrophobicContact CG1-CD1 3.66Å; I195-L199 WeakPolarHBondContact O-CB 3.3Å; I195-L199 PolarHBondContact O-N 2.97Å; L199-K214 HydrophobicContact CD2-CB 4.24Å; L199-K214 HydrophobicContact CD2-CD 4.21Å; L199-K214 HydrophobicContact CD2-CG 3.63Å; L199-D245 WeakPolarHBondContact O-CB 3.31Å; L199-D245 PolarHBondContact O-N 2.83Å; L199-I248 HydrophobicContact CB-CD1 3.04Å; L199-I248 HydrophobicContact CB-CG1 4.48Å; L199-I248 HydrophobicContact CD1-CD1 3.18Å; L199-I248 HydrophobicContact CD1-CG1 3.99Å; L199-I248 HydrophobicContact CD2-CD1 3.61Å; L199-I248 HydrophobicContact CG-CD1 3.34Å; L199-I248 HydrophobicContact CG-CG1 4.49Å
200	R	57.6	Low	68.5	Low	114 Å²	114	78.5 Å²	78.5	43%	0.43	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-70.3	146.8	172.6	-105.6	161.9	170.5	-141.1	-10.5	113.2	D196 K214 D243	D196-R200 WeakPolarHBondContact O-CG 3.45Å; R200-K214 PolarHBondContact O-NZ 3.28Å; R200-D243 WeakPolarHBondContact CA-O 3.39Å; R200-D243 HydrophobicContact CG-CB 4.25Å; R200-D243 IonicContact CZ-OD2 3.8Å; R200-D243 IonicContact NE-OD2 2.7Å; R200-D243 PolarHBondContact NE-OD2 3.39Å; R200-D243 IonicContact NH2-OD2 2.9Å; R200-D243 PolarHBondContact NH2-OD2 3.22Å
201	V	54.9	Low	67.4	Low	77 Å²	77	80.9 Å²	80.9	47%	0.467	40%	0.4	S	S	.	.			trans	-57.8	133.9	172.3	-177.7	0	0	0	0	109.7	E203	V201-E203 PolarHBondContact O-N 2.74Å
202	R	52.1	Low	66.3	Low	218 Å²	218	86.2 Å²	86.2	82%	0.823	43%	0.426	S	S	*	.			trans	-48.6	105.4	-177.4	-70.7	179	177.3	179.8	-2.5	112.4
203	E	50.9	Low	65.5	Low	155 Å²	155	86.6 Å²	86.6	72%	0.724	43%	0.428	S	S	*	.			trans	-90.3	152.8	151.1	-71.8	-174.5	177.2	0	0	108.8	V201 R205 D206	V201-E203 PolarHBondContact O-N 2.74Å; E203-R205 PolarHBondContact O-N 2.54Å; E203-D206 PolarHBondContact O-N 3.5Å
204	S	51.4	Low	64.9	Low	133 Å²	133	84.7 Å²	84.7	93%	0.93	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	11.7	-171.2	48.4	0	0	0	0	116.3
205	R	53.6	Low	64.6	Low	233 Å²	233	82.3 Å²	82.3	88%	0.879	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	4.6	-175.9	-73.9	-175.8	175.7	175.7	-0.2	115.8	E203 H207	E203-R205 PolarHBondContact O-N 2.54Å; R205-H207 PolarHBondContact O-N 2.96Å
206	D	56.2	Low	64.2	Low	78 Å²	78	85.5 Å²	85.5	42%	0.417	43%	0.43	S	S	.	.			trans	-62.4	125.6	177.8	-97.1	3.3	0	0	0	111.6	E203 K214	E203-D206 PolarHBondContact O-N 3.5Å; D206-K214 IonicContact OD2-NZ 3.15Å; D206-K214 PolarHBondContact OD2-NZ 3.44Å
207	H	63.8	Low	64.2	Low	134 Å²	134	85.1 Å²	85.1	62%	0.62	43%	0.428	S	S	*	.			trans	-60.1	137.9	171	-89.8	-41.9	0	0	0	110.7	R205 T209 T210 A211	R205-H207 PolarHBondContact O-N 2.96Å; H207-T209 PolarHBondContact O-N 2.94Å; H207-T210 PolarHBondContact O-N 3.33Å; H207-A211 PolarHBondContact O-N 2.85Å
208	E	65.4	Low	64.7	Low	166 Å²	166	83.3 Å²	83.3	78%	0.776	41%	0.413	S	S	*	.	H	α-helix	trans	-48.6	-33.1	179.1	-78.7	-175.4	146.8	0	0	113.5	T210 A211 M212	E208-T210 PolarHBondContact O-N 2.94Å; E208-A211 WeakPolarHBondContact O-CB 3.29Å; E208-A211 PolarHBondContact O-N 3.47Å; E208-M212 PolarHBondContact O-N 3.47Å
209	T	61	Low	65.5	Low	43 Å²	43	86.3 Å²	86.3	26%	0.264	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-42.1	-179.2	-37.8	0	0	0	0	112.6	Y168 H207 A211 M212 M213	Y168-T209 HydrophobicContact CD1-CG2 3.72Å; Y168-T209 HydrophobicContact CE1-CG2 3.64Å; Y168-T209 WeakPolarHBondContact CE1-OG1 3.35Å; Y168-T209 HydrophobicContact CG-CG2 4.3Å; H207-T209 PolarHBondContact O-N 2.94Å; T209-A211 VanDerWaalsContact C-N 3.31Å; T209-M212 PolarHBondContact O-N 2.86Å; T209-M213 PolarHBondContact O-N 2.88Å
210	T	66	Low	66.6	Low	43 Å²	43	88 Å²	88	26%	0.264	44%	0.444	S	S	.	.	H	α-helix	trans	-64.9	-41.5	176.2	-43.2	0	0	0	0	109.4	F198 H207 E208 M212 M213 K214	F198-T210 HydrophobicContact CE2-CG2 4.42Å; H207-T210 PolarHBondContact O-N 3.33Å; E208-T210 PolarHBondContact O-N 2.94Å; T210-M212 PolarHBondContact O-N 2.85Å; T210-M213 PolarHBondContact O-N 3.2Å; T210-K214 HydrophobicContact CG2-CD 4.44Å; T210-K214 HydrophobicContact CG2-CG 4.49Å; T210-K214 WeakPolarHBondContact O-CB 3.27Å; T210-K214 WeakPolarHBondContact O-CG 3.2Å; T210-K214 PolarHBondContact O-N 3.41Å
211	A	67.4	Low	67.9	Low	50 Å²	50	82.7 Å²	82.7	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-42.2	178	0	0	0	0	0	113.1	H207 E208 T209 A215	H207-A211 PolarHBondContact O-N 2.85Å; E208-A211 WeakPolarHBondContact O-CB 3.29Å; E208-A211 PolarHBondContact O-N 3.47Å; T209-A211 VanDerWaalsContact C-N 3.31Å; A211-A215 WeakPolarHBondContact O-CB 3.41Å; A211-A215 PolarHBondContact O-N 3.19Å
212	M	69.1	Low	69.1	Low	112 Å²	112	82.2 Å²	82.2	55%	0.552	42%	0.419	S	S	*	.	H	α-helix	trans	-64.6	-44.1	175.4	-71.4	-178.9	68.6	0	0	111.9	E208 T209 T210 K214 A215 Q216	E208-M212 PolarHBondContact O-N 3.47Å; T209-M212 PolarHBondContact O-N 2.86Å; T210-M212 PolarHBondContact O-N 2.85Å; M212-K214 PolarHBondContact O-N 3Å; M212-A215 WeakPolarHBondContact O-CB 3.29Å; M212-A215 PolarHBondContact O-N 3.41Å; M212-Q216 PolarHBondContact O-N 3.14Å
213	M	70.8	Confident	70.2	Confident	11 Å²	11	73.4 Å²	73.4	5%	0.054	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-42.6	177.9	-160.5	-171.1	-49.9	0	0	111.7	L163 F198 T209 T210 A215 Q216 F217	L163-M213 HydrophobicContact CB-SD 3.95Å; F198-M213 HydrophobicContact CE2-CG 4.36Å; F198-M213 HydrophobicContact CE2-SD 3.59Å; F198-M213 VanDerWaalsContact CE2-SD 3.59Å; F198-M213 HydrophobicContact CZ-CB 3.98Å; F198-M213 HydrophobicContact CZ-CG 3.7Å; F198-M213 HydrophobicContact CZ-SD 3.42Å; F198-M213 WeakPolarHBondContact CZ-SD 3.25Å; T209-M213 PolarHBondContact O-N 2.88Å; T210-M213 PolarHBondContact O-N 3.2Å; M213-A215 VanDerWaalsContact C-N 3.31Å; M213-A215 PolarHBondContact O-N 3.47Å; M213-Q216 PolarHBondContact O-N 2.96Å; M213-F217 WeakPolarHBondContact O-CB 3.09Å; M213-F217 PolarHBondContact O-N 2.86Å
214	K	74.4	Confident	71.4	Confident	18 Å²	18	66.4 Å²	66.4	8%	0.078	36%	0.363	C	S	.	.	H	α-helix	trans	-54.8	-47.3	171.6	-72.2	179.1	176.5	175.9	0	110.5	F198 L199 R200 D206 T210 M212 F217 L218	F198-K214 HydrophobicContact CZ-CG 4.49Å; F198-K214 WeakPolarHBondContact O-CE 3.48Å; L199-K214 HydrophobicContact CD2-CB 4.24Å; L199-K214 HydrophobicContact CD2-CD 4.21Å; L199-K214 HydrophobicContact CD2-CG 3.63Å; R200-K214 PolarHBondContact O-NZ 3.28Å; D206-K214 IonicContact OD2-NZ 3.15Å; D206-K214 PolarHBondContact OD2-NZ 3.44Å; T210-K214 HydrophobicContact CG2-CD 4.44Å; T210-K214 HydrophobicContact CG2-CG 4.49Å; T210-K214 WeakPolarHBondContact O-CB 3.27Å; T210-K214 WeakPolarHBondContact O-CG 3.2Å; T210-K214 PolarHBondContact O-N 3.41Å; M212-K214 PolarHBondContact O-N 3Å; K214-F217 PolarHBondContact O-N 3.42Å; K214-L218 WeakPolarHBondContact O-CB 3.46Å; K214-L218 WeakPolarHBondContact O-CG 3.41Å; K214-L218 PolarHBondContact O-N 3.41Å
215	A	76.3	Confident	71.9	Confident	58 Å²	58	62.9 Å²	62.9	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-44.2	179.4	0	0	0	0	0	112.7	A211 M212 M213 L218 S219	A211-A215 WeakPolarHBondContact O-CB 3.41Å; A211-A215 PolarHBondContact O-N 3.19Å; M212-A215 WeakPolarHBondContact O-CB 3.29Å; M212-A215 PolarHBondContact O-N 3.41Å; M213-A215 VanDerWaalsContact C-N 3.31Å; M213-A215 PolarHBondContact O-N 3.47Å; A215-L218 PolarHBondContact O-N 3.05Å; A215-S219 WeakPolarHBondContact O-CB 3.17Å; A215-S219 PolarHBondContact O-N 3.18Å
216	Q	77.3	Confident	72.6	Confident	67 Å²	67	56.4 Å²	56.4	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-39.9	179.1	-169.7	65.9	-2.1	0	0	112.1	E172 M212 M213 S219 N220	E172-Q216 HydrophobicContact CB-CG 4.48Å; M212-Q216 PolarHBondContact O-N 3.14Å; M213-Q216 PolarHBondContact O-N 2.96Å; Q216-S219 PolarHBondContact O-N 3.11Å; Q216-N220 PolarHBondContact O-N 2.85Å; Q216-N220 PolarHBondContact O-ND2 2.86Å; Q216-N220 VanDerWaalsContact O-ND2 3.11Å
217	F	81.3	Confident	73.3	Confident	4 Å²	4	55 Å²	55	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-49.2	174.7	-168.7	-86.2	0	0	0	111.4	L158 F179 I192 M213 K214 S219 N220 W221	L158-F217 HydrophobicContact CD2-CE2 3.66Å; L158-F217 HydrophobicContact CD2-CZ 4.31Å; F179-F217 AromaticContact CE2-CD2 3.71Å; F179-F217 HydrophobicContact CE2-CD2 3.71Å; F179-F217 HydrophobicContact CE2-CE1 4.49Å; F179-F217 AromaticContact CE2-CE2 3.37Å; F179-F217 HydrophobicContact CE2-CE2 3.37Å; F179-F217 HydrophobicContact CE2-CG 4.38Å; F179-F217 AromaticContact CE2-CZ 3.78Å; F179-F217 HydrophobicContact CE2-CZ 3.78Å; F179-F217 HydrophobicContact CZ-CD1 4.29Å; F179-F217 HydrophobicContact CZ-CD2 4.02Å; F179-F217 AromaticContact CZ-CE1 3.9Å; F179-F217 HydrophobicContact CZ-CE1 3.9Å; F179-F217 AromaticContact CZ-CE2 3.62Å; F179-F217 HydrophobicContact CZ-CE2 3.62Å; F179-F217 HydrophobicContact CZ-CG 4.32Å; F179-F217 AromaticContact CZ-CZ 3.5Å; F179-F217 HydrophobicContact CZ-CZ 3.5Å; I192-F217 HydrophobicContact CD1-CE1 4.02Å; I192-F217 HydrophobicContact CD1-CE2 4.28Å; I192-F217 HydrophobicContact CD1-CZ 3.39Å; M213-F217 WeakPolarHBondContact O-CB 3.09Å; M213-F217 PolarHBondContact O-N 2.86Å; K214-F217 PolarHBondContact O-N 3.42Å; F217-S219 VanDerWaalsContact C-N 3.35Å; F217-S219 PolarHBondContact O-N 3.37Å; F217-N220 PolarHBondContact O-N 3.32Å; F217-W221 HydrophobicContact CD1-CE3 4.22Å; F217-W221 AromaticContact CE1-CE3 3.66Å; F217-W221 HydrophobicContact CE1-CE3 3.66Å; F217-W221 AromaticContact CE1-CZ3 3.94Å; F217-W221 HydrophobicContact CE1-CZ3 3.94Å; F217-W221 PolarHBondContact O-N 3.48Å
218	L	82.1	Confident	73.5	Confident	25 Å²	25	56.7 Å²	56.7	13%	0.131	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-39.2	177.4	-68.2	171.7	0	0	0	112.1	K214 A215 W221 D222 A247 I248	K214-L218 WeakPolarHBondContact O-CB 3.46Å; K214-L218 WeakPolarHBondContact O-CG 3.41Å; K214-L218 PolarHBondContact O-N 3.41Å; A215-L218 PolarHBondContact O-N 3.05Å; L218-W221 WeakPolarHBondContact O-CB 3.45Å; L218-W221 PolarHBondContact O-N 2.61Å; L218-D222 VanDerWaalsContact O-CG 3.28Å; L218-D222 PolarHBondContact O-N 2.93Å; L218-A247 HydrophobicContact CD1-CB 4.36Å; L218-I248 HydrophobicContact CD2-CG1 3.94Å
219	S	82.9	Confident	73.9	Confident	71 Å²	71	56.6 Å²	56.6	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-42.2	176.7	-178.2	0	0	0	0	112.4	A215 Q216 F217 W221 D222 G223	A215-S219 WeakPolarHBondContact O-CB 3.17Å; A215-S219 PolarHBondContact O-N 3.18Å; Q216-S219 PolarHBondContact O-N 3.11Å; F217-S219 VanDerWaalsContact C-N 3.35Å; F217-S219 PolarHBondContact O-N 3.37Å; S219-W221 VanDerWaalsContact C-N 3.34Å; S219-D222 PolarHBondContact O-N 3.16Å; S219-G223 PolarHBondContact O-N 3.29Å
220	N	83.4	Confident	74.9	Confident	37 Å²	37	54.5 Å²	54.5	20%	0.198	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-35.9	175.5	-71.9	-43.7	0	0	0	111.9	F179 Q216 F217 G223 F224	F179-N220 HydrophobicContact CB-CB 3.99Å; F179-N220 HydrophobicContact CD1-CB 3.45Å; F179-N220 VanDerWaalsContact CD1-CB 3.45Å; F179-N220 HydrophobicContact CD2-CB 4.05Å; F179-N220 HydrophobicContact CE1-CB 3.89Å; F179-N220 HydrophobicContact CE2-CB 4.38Å; F179-N220 HydrophobicContact CG-CB 3.57Å; F179-N220 HydrophobicContact CZ-CB 4.32Å; Q216-N220 PolarHBondContact O-N 2.85Å; Q216-N220 PolarHBondContact O-ND2 2.86Å; Q216-N220 VanDerWaalsContact O-ND2 3.11Å; F217-N220 PolarHBondContact O-N 3.32Å; N220-G223 PolarHBondContact O-N 2.96Å; N220-F224 PolarHBondContact O-N 3.49Å
221	W	85.9	Confident	75.8	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-45.5	174.4	-163.3	-16.5	0	0	0	111.8	K128 F179 F217 L218 S219 G223 F224 A225 I234 I248 R251 M252	K128-W221 PolarHBondContact O-NE1 2.71Å; F179-W221 HydrophobicContact CE1-CB 4.03Å; F217-W221 HydrophobicContact CD1-CE3 4.22Å; F217-W221 AromaticContact CE1-CE3 3.66Å; F217-W221 HydrophobicContact CE1-CE3 3.66Å; F217-W221 AromaticContact CE1-CZ3 3.94Å; F217-W221 HydrophobicContact CE1-CZ3 3.94Å; F217-W221 PolarHBondContact O-N 3.48Å; L218-W221 WeakPolarHBondContact O-CB 3.45Å; L218-W221 PolarHBondContact O-N 2.61Å; S219-W221 VanDerWaalsContact C-N 3.34Å; W221-G223 PolarHBondContact O-N 3.38Å; W221-F224 WeakPolarHBondContact O-CB 3.48Å; W221-F224 PolarHBondContact O-N 3.29Å; W221-A225 PolarHBondContact O-N 3.13Å; W221-I234 HydrophobicContact CB-CD1 4.46Å; W221-I234 HydrophobicContact CD2-CD1 3.6Å; W221-I234 HydrophobicContact CD2-CG1 4.46Å; W221-I234 HydrophobicContact CE3-CD1 4Å; W221-I234 HydrophobicContact CG-CD1 3.81Å; W221-I234 HydrophobicContact CH2-CB 3.98Å; W221-I234 HydrophobicContact CH2-CD1 4.48Å; W221-I234 HydrophobicContact CH2-CG2 3.72Å; W221-I234 HydrophobicContact CZ2-CB 3.61Å; W221-I234 HydrophobicContact CZ2-CD1 4.14Å; W221-I234 HydrophobicContact CZ2-CG1 4.21Å; W221-I234 HydrophobicContact CZ2-CG2 3.91Å; W221-I234 HydrophobicContact CZ3-CD1 4.42Å; W221-I234 HydrophobicContact CZ3-CG2 4.15Å; W221-I248 HydrophobicContact CH2-CG2 4.23Å; W221-I248 HydrophobicContact CZ3-CG2 4.06Å; W221-R251 HydrophobicContact CD2-CB 4.25Å; W221-R251 HydrophobicContact CZ2-CB 4.16Å; W221-M252 HydrophobicContact CH2-CE 3.61Å; W221-M252 HydrophobicContact CH2-CG 3.86Å; W221-M252 HydrophobicContact CZ2-CG 4.15Å; W221-M252 HydrophobicContact CZ3-CE 4.4Å
222	D	80	Confident	76.8	Confident	67 Å²	67	53.1 Å²	53.1	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-60.1	-29.7	176.1	-68.6	-21.8	0	0	0	112.2	L218 S219 F224 A225 S226 R251	L218-D222 VanDerWaalsContact O-CG 3.28Å; L218-D222 PolarHBondContact O-N 2.93Å; S219-D222 PolarHBondContact O-N 3.16Å; D222-F224 VanDerWaalsContact C-N 3.29Å; D222-F224 PolarHBondContact O-N 2.92Å; D222-A225 PolarHBondContact O-N 3.22Å; D222-S226 PolarHBondContact O-N 3.09Å; D222-S226 VanDerWaalsContact O-N 3.13Å; D222-S226 PolarHBondContact O-OG 2.98Å; D222-R251 VanDerWaalsContact CG-NH2 3.3Å; D222-R251 IonicContact OD1-CZ 2.86Å; D222-R251 VanDerWaalsContact OD1-CZ 3.27Å; D222-R251 IonicContact OD1-NE 2.72Å; D222-R251 PolarHBondContact OD1-NE 3.07Å; D222-R251 IonicContact OD1-NH2 3.3Å; D222-R251 PolarHBondContact OD1-NH2 3.46Å; D222-R251 IonicContact OD2-CZ 3.08Å; D222-R251 IonicContact OD2-NE 3.52Å; D222-R251 IonicContact OD2-NH2 3.48Å; D222-R251 PolarHBondContact OD2-NH2 3.03Å
223	G	74.8	Confident	77.8	Confident	33 Å²	33	47.8 Å²	47.8	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-26.7	172.1	0	0	0	0	0	114.4	S219 N220 W221 S226	S219-G223 PolarHBondContact O-N 3.29Å; N220-G223 PolarHBondContact O-N 2.96Å; W221-G223 PolarHBondContact O-N 3.38Å; G223-S226 WeakPolarHBondContact CA-OG 3.35Å; G223-S226 PolarHBondContact O-OG 2.84Å
224	F	76.3	Confident	78.9	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-80.3	-32.9	171	-63.1	-23.7	0	0	0	112.4	K128 F179 A182 K183 I190 N220 W221 D222 S226 D227 V232 I234	K128-F224 WeakPolarHBondContact CE-O 3.5Å; F179-F224 HydrophobicContact CB-CE1 4.29Å; F179-F224 HydrophobicContact CB-CE2 4.33Å; F179-F224 HydrophobicContact CB-CZ 3.66Å; F179-F224 AromaticContact CD1-CD2 3.79Å; F179-F224 HydrophobicContact CD1-CD2 3.79Å; F179-F224 HydrophobicContact CD1-CE1 4.09Å; F179-F224 AromaticContact CD1-CE2 3.06Å; F179-F224 HydrophobicContact CD1-CE2 3.06Å; F179-F224 AromaticContact CD1-CZ 3.26Å; F179-F224 HydrophobicContact CD1-CZ 3.26Å; F179-F224 AromaticContact CE1-CD2 3.98Å; F179-F224 HydrophobicContact CE1-CD2 3.98Å; F179-F224 AromaticContact CE1-CE2 3.53Å; F179-F224 HydrophobicContact CE1-CE2 3.53Å; F179-F224 HydrophobicContact CE1-CZ 4.19Å; F179-F224 AromaticContact CG-CE2 3.95Å; F179-F224 HydrophobicContact CG-CE2 3.95Å; F179-F224 AromaticContact CG-CZ 3.79Å; F179-F224 HydrophobicContact CG-CZ 3.79Å; F179-F224 WeakPolarHBondContact O-CZ 3.38Å; A182-F224 HydrophobicContact CB-CZ 4.32Å; K183-F224 HydrophobicContact CB-CE1 4.14Å; I190-F224 HydrophobicContact CD1-CE2 4.03Å; N220-F224 PolarHBondContact O-N 3.49Å; W221-F224 WeakPolarHBondContact O-CB 3.48Å; W221-F224 PolarHBondContact O-N 3.29Å; D222-F224 VanDerWaalsContact C-N 3.29Å; D222-F224 PolarHBondContact O-N 2.92Å; F224-S226 VanDerWaalsContact C-N 3.32Å; F224-D227 PolarHBondContact O-N 2.88Å; F224-V232 HydrophobicContact CD2-CB 4.17Å; F224-V232 HydrophobicContact CD2-CG1 3.97Å; F224-V232 HydrophobicContact CE2-CB 4.11Å; F224-V232 HydrophobicContact CE2-CG1 3.57Å; F224-V232 HydrophobicContact CG-CB 4.49Å; F224-V232 HydrophobicContact CZ-CB 4.41Å; F224-V232 HydrophobicContact CZ-CG1 4.06Å; F224-V232 HydrophobicContact CZ-CG2 4.44Å; F224-I234 HydrophobicContact CD2-CD1 4.48Å
225	A	61.6	Low	79.7	Confident	59 Å²	59	46.5 Å²	46.5	49%	0.488	26%	0.26	S	S	.	.	H	α-helix	trans	-70.6	-29.6	-179.6	0	0	0	0	0	113	K128 W221 D222	K128-A225 HydrophobicContact CG-CB 4.41Å; W221-A225 PolarHBondContact O-N 3.13Å; D222-A225 PolarHBondContact O-N 3.22Å
226	S	67.5	Low	80.5	Confident	96 Å²	96	43.7 Å²	43.7	67%	0.671	24%	0.237	S	C	*	.	S	Bend	trans	-78.2	-21.7	178.8	34.1	0	0	0	0	113.6	D222 G223 F224	D222-S226 PolarHBondContact O-N 3.09Å; D222-S226 VanDerWaalsContact O-N 3.13Å; D222-S226 PolarHBondContact O-OG 2.98Å; G223-S226 WeakPolarHBondContact CA-OG 3.35Å; G223-S226 PolarHBondContact O-OG 2.84Å; F224-S226 VanDerWaalsContact C-N 3.32Å
227	D	72.5	Confident	81.1	Confident	49 Å²	49	40.5 Å²	40.5	26%	0.262	22%	0.222	S	C	.	.			trans	-95.6	102.1	-179.6	-173	-12.1	0	0	0	110.7	K183 F224 Q229 C230	K183-D227 VanDerWaalsContact CE-OD2 3.28Å; K183-D227 WeakPolarHBondContact CE-OD2 3.47Å; K183-D227 IonicContact NZ-OD2 2.71Å; K183-D227 PolarHBondContact NZ-OD2 2.91Å; F224-D227 PolarHBondContact O-N 2.88Å; D227-Q229 PolarHBondContact O-N 3.37Å; D227-Q229 VanDerWaalsContact O-N 3.15Å; D227-Q229 PolarHBondContact OD1-N 2.88Å; D227-Q229 VanDerWaalsContact OD1-N 3.08Å; D227-C230 HydrophobicContact CB-CB 3.86Å; D227-C230 VanDerWaalsContact O-CB 3.23Å; D227-C230 WeakPolarHBondContact O-CB 3.41Å; D227-C230 PolarHBondContact O-N 3.31Å
228	R	68.4	Low	81.4	Confident	169 Å²	169	40.3 Å²	40.3	64%	0.638	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.4	179.9	-72.5	-172.5	179.9	-178.1	-0.7	112.9	Q125 D320	Q125-R228 PolarHBondContact OE1-O 2.9Å; R228-D320 IonicContact NH1-OD2 2.67Å
229	Q	72.9	Confident	81.6	Confident	164 Å²	164	41.8 Å²	41.8	77%	0.766	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-4	179.6	-64.2	-171.8	-9.2	0	0	113.2	D227 R231	D227-Q229 PolarHBondContact O-N 3.37Å; D227-Q229 VanDerWaalsContact O-N 3.15Å; D227-Q229 PolarHBondContact OD1-N 2.88Å; D227-Q229 VanDerWaalsContact OD1-N 3.08Å; Q229-R231 PolarHBondContact O-N 3.47Å
230	C	81	Confident	81.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.			trans	-73.4	109.4	-177.9	-172.6	0	0	0	0	111.7	K128 Q186 D227 V232	K128-C230 PolarHBondContact NZ-O 3.25Å; Q186-C230 VanDerWaalsContact OE1-CA 3.31Å; D227-C230 HydrophobicContact CB-CB 3.86Å; D227-C230 VanDerWaalsContact O-CB 3.23Å; D227-C230 WeakPolarHBondContact O-CB 3.41Å; D227-C230 PolarHBondContact O-N 3.31Å; C230-V232 VanDerWaalsContact C-N 3.31Å; C230-V232 PolarHBondContact O-N 2.99Å
231	R	85.9	Confident	81.3	Confident	64 Å²	64	44.4 Å²	44.4	24%	0.242	23%	0.228	C	C	.	.			trans	-91.4	48.8	171.7	-56.8	-170.1	-59.8	-96.5	-3.2	112	L115 Q186 P187 A188 Q229	L115-R231 HydrophobicContact CD2-CB 4.22Å; Q186-R231 HydrophobicContact CB-CB 4.45Å; P187-R231 WeakPolarHBondContact CA-O 3.08Å; P187-R231 HydrophobicContact CB-CB 4.2Å; A188-R231 PolarHBondContact N-O 2.94Å; A188-R231 VanDerWaalsContact N-O 3.08Å; Q229-R231 PolarHBondContact O-N 3.47Å
232	V	88.8	Confident	81	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.2	170.9	-175.7	0	0	0	0	109.5	A182 Q186 A188 I190 F224 C230	A182-V232 HydrophobicContact CB-CG1 3.97Å; A182-V232 HydrophobicContact CB-CG2 4.24Å; Q186-V232 HydrophobicContact CG-CG2 3.59Å; A188-V232 HydrophobicContact CB-CG2 4.45Å; A188-V232 WeakPolarHBondContact O-CA 3.36Å; I190-V232 HydrophobicContact CD1-CG1 4.12Å; I190-V232 HydrophobicContact CG1-CG1 4.24Å; F224-V232 HydrophobicContact CD2-CB 4.17Å; F224-V232 HydrophobicContact CD2-CG1 3.97Å; F224-V232 HydrophobicContact CE2-CB 4.11Å; F224-V232 HydrophobicContact CE2-CG1 3.57Å; F224-V232 HydrophobicContact CG-CB 4.49Å; F224-V232 HydrophobicContact CZ-CB 4.41Å; F224-V232 HydrophobicContact CZ-CG1 4.06Å; F224-V232 HydrophobicContact CZ-CG2 4.44Å; C230-V232 VanDerWaalsContact C-N 3.31Å; C230-V232 PolarHBondContact O-N 2.99Å
233	V	90.5	Very high	80.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.1	176.7	177.8	0	0	0	0	109.1	V111 L115 P126 P127 V130 A188 I189 I190 I235	V111-V233 HydrophobicContact CG1-CG1 4.32Å; L115-V233 HydrophobicContact CD1-CG2 3.99Å; L115-V233 HydrophobicContact CD2-CG2 3.95Å; L115-V233 HydrophobicContact CG-CG2 4.11Å; P126-V233 HydrophobicContact CB-CG2 3.81Å; P127-V233 WeakPolarHBondContact O-CG1 3.29Å; P127-V233 VanDerWaalsContact O-CG2 3.31Å; P127-V233 WeakPolarHBondContact O-CG2 3.24Å; V130-V233 HydrophobicContact CG2-CG1 3.84Å; A188-V233 PolarHBondContact O-N 3.24Å; I189-V233 CarbonylContact C-O 2.95Å; I189-V233 VanDerWaalsContact CA-O 3.29Å; I189-V233 WeakPolarHBondContact CA-O 3.19Å; I189-V233 HydrophobicContact CG1-CB 4.42Å; I190-V233 PolarHBondContact N-O 3.07Å; V233-I235 HydrophobicContact CG1-CG1 4.03Å
234	I	92	Very high	81.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.3	170.9	-54.1	-165.4	0	0	0	108.7	K128 G129 V130 F179 I190 I192 W221 F224	K128-I234 PolarHBondContact O-N 3.01Å; G129-I234 CarbonylContact C-O 3.56Å; G129-I234 VanDerWaalsContact CA-O 3.29Å; G129-I234 WeakPolarHBondContact CA-O 3.35Å; V130-I234 PolarHBondContact N-O 3.19Å; F179-I234 HydrophobicContact CE1-CD1 3.6Å; F179-I234 HydrophobicContact CZ-CD1 3.72Å; I190-I234 HydrophobicContact CB-CG1 4.29Å; I190-I234 HydrophobicContact CD1-CD1 4.42Å; I190-I234 HydrophobicContact CD1-CG1 4.41Å; I190-I234 CarbonylContact O-C 3.56Å; I190-I234 WeakPolarHBondContact O-CA 3.14Å; I192-I234 HydrophobicContact CD1-CG2 3.7Å; I192-I234 HydrophobicContact CG1-CG2 4.36Å; W221-I234 HydrophobicContact CB-CD1 4.46Å; W221-I234 HydrophobicContact CD2-CD1 3.6Å; W221-I234 HydrophobicContact CD2-CG1 4.46Å; W221-I234 HydrophobicContact CE3-CD1 4Å; W221-I234 HydrophobicContact CG-CD1 3.81Å; W221-I234 HydrophobicContact CH2-CB 3.98Å; W221-I234 HydrophobicContact CH2-CD1 4.48Å; W221-I234 HydrophobicContact CH2-CG2 3.72Å; W221-I234 HydrophobicContact CZ2-CB 3.61Å; W221-I234 HydrophobicContact CZ2-CD1 4.14Å; W221-I234 HydrophobicContact CZ2-CG1 4.21Å; W221-I234 HydrophobicContact CZ2-CG2 3.91Å; W221-I234 HydrophobicContact CZ3-CD1 4.42Å; W221-I234 HydrophobicContact CZ3-CG2 4.15Å; F224-I234 HydrophobicContact CD2-CD1 4.48Å
235	I	93.1	Very high	81.1	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.3	174.5	-56	-174.6	0	0	0	108.2	V130 L132 A144 V147 I189 I190 F191 I192 V233	V130-I235 HydrophobicContact CB-CG1 4.09Å; V130-I235 HydrophobicContact CB-CG2 4.49Å; V130-I235 HydrophobicContact CG2-CG1 4.5Å; V130-I235 CarbonylContact O-C 3.5Å; V130-I235 VanDerWaalsContact O-CA 3.29Å; V130-I235 WeakPolarHBondContact O-CA 3.3Å; L132-I235 HydrophobicContact CD1-CG2 3.78Å; L132-I235 HydrophobicContact CG-CG2 3.8Å; A144-I235 HydrophobicContact CB-CD1 4.43Å; A144-I235 HydrophobicContact CB-CG2 4.19Å; V147-I235 HydrophobicContact CG1-CD1 4.26Å; I189-I235 HydrophobicContact CD1-CD1 4.21Å; I189-I235 HydrophobicContact CG2-CB 4.37Å; I189-I235 HydrophobicContact CG2-CD1 3.6Å; I189-I235 HydrophobicContact CG2-CG1 3.72Å; I190-I235 PolarHBondContact O-N 3.27Å; F191-I235 CarbonylContact C-O 3.58Å; F191-I235 VanDerWaalsContact CA-O 3.26Å; F191-I235 WeakPolarHBondContact CA-O 3.38Å; F191-I235 HydrophobicContact CD2-CB 4.03Å; F191-I235 HydrophobicContact CD2-CG2 3.86Å; F191-I235 WeakPolarHBondContact CD2-O 3.09Å; F191-I235 HydrophobicContact CE2-CG2 4.15Å; I192-I235 PolarHBondContact N-O 3.39Å; V233-I235 HydrophobicContact CG1-CG1 4.03Å
236	G	91.3	Very high	81.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.4	169.6	0	0	0	0	0	111.2	V130 L131 L132 I192	V130-G236 PolarHBondContact O-N 3.01Å; L131-G236 CarbonylContact C-O 3.49Å; L131-G236 WeakPolarHBondContact CA-O 3.35Å; L132-G236 PolarHBondContact N-O 2.88Å; I192-G236 CarbonylContact O-C 3.58Å; I192-G236 WeakPolarHBondContact O-CA 3.38Å
237	A	91.4	Very high	82	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.1	167.5	0	0	0	0	0	110.4	L132 K140 F191 I192 E194 I195	L132-A237 CarbonylContact O-C 3.51Å; L132-A237 VanDerWaalsContact O-CA 3.23Å; L132-A237 WeakPolarHBondContact O-CA 3.34Å; K140-A237 HydrophobicContact CB-CB 3.96Å; K140-A237 HydrophobicContact CD-CB 4.18Å; F191-A237 HydrophobicContact CE2-CB 3.75Å; F191-A237 HydrophobicContact CZ-CB 3.53Å; I192-A237 PolarHBondContact O-N 3.29Å; E194-A237 WeakPolarHBondContact CA-O 3.47Å; E194-A237 PolarHBondContact N-O 3.3Å; I195-A237 PolarHBondContact N-O 2.86Å
238	S	87.4	Confident	82.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.5	175.8	-175.5	0	0	0	0	112.1	L132 Y133 G134 D196 R240	L132-S238 PolarHBondContact O-N 2.94Å; Y133-S238 VanDerWaalsContact CA-O 3.24Å; Y133-S238 WeakPolarHBondContact CA-O 3.29Å; G134-S238 PolarHBondContact N-O 2.91Å; D196-S238 VanDerWaalsContact CG-OG 3.23Å; D196-S238 WeakPolarHBondContact OD1-CA 3.39Å; D196-S238 VanDerWaalsContact OD1-CB 3.31Å; D196-S238 WeakPolarHBondContact OD1-CB 3.39Å; D196-S238 PolarHBondContact OD1-OG 3.2Å; S238-R240 PolarHBondContact OG-N 2.9Å; S238-R240 PolarHBondContact OG-O 2.84Å
239	N	86.4	Confident	82.9	Confident	55 Å²	55	35.9 Å²	35.9	29%	0.294	18%	0.177	S	C	.	.	S	Bend	trans	-88.8	-10.9	167.6	-61.8	-42	0	0	0	112	G134 P136 K140	G134-N239 WeakPolarHBondContact O-CA 3.09Å; G134-N239 PolarHBondContact O-OD1 2.84Å; P136-N239 WeakPolarHBondContact CA-OD1 3.4Å; K140-N239 WeakPolarHBondContact CE-OD1 3.35Å
240	R	80.3	Confident	83.2	Confident	142 Å²	142	35.2 Å²	35.2	54%	0.536	17%	0.167	S	C	.	.			trans	-134.9	68.9	-176.1	-57	177.5	-176.4	173.6	3.1	109.9	D196 S238 L242 D243	D196-R240 HydrophobicContact CB-CB 4.39Å; S238-R240 PolarHBondContact OG-N 2.9Å; S238-R240 PolarHBondContact OG-O 2.84Å; R240-L242 PolarHBondContact O-N 2.98Å; R240-D243 HydrophobicContact CB-CB 4.08Å; R240-D243 WeakPolarHBondContact O-CB 2.81Å; R240-D243 PolarHBondContact O-N 3.48Å
241	P	80.2	Confident	83.2	Confident	22 Å²	22	38.2 Å²	38.2	14%	0.143	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.6	-175.1	25.5	-36.5	0	0	0	113.9	Y133 D243	Y133-P241 HydrophobicContact CD2-CB 4.09Å; Y133-P241 HydrophobicContact CD2-CG 3.79Å; Y133-P241 HydrophobicContact CG-CB 4.07Å; Y133-P241 HydrophobicContact CG-CG 4.23Å; P241-D243 VanDerWaalsContact C-N 3.33Å
242	L	78.3	Confident	83.1	Confident	148 Å²	148	35.1 Å²	35.1	78%	0.775	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-72.5	-24.2	176.5	-60.6	176.2	0	0	0	113.1	R240 V244	R240-L242 PolarHBondContact O-N 2.98Å; L242-V244 VanDerWaalsContact C-N 3.31Å
243	D	79.1	Confident	82.7	Confident	46 Å²	46	39.7 Å²	39.7	25%	0.246	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-81.4	-12.5	179.6	-73.5	16.2	0	0	0	112	D196 R200 R240 P241	D196-D243 HydrophobicContact CB-CB 3.88Å; R200-D243 WeakPolarHBondContact CA-O 3.39Å; R200-D243 HydrophobicContact CG-CB 4.25Å; R200-D243 IonicContact CZ-OD2 3.8Å; R200-D243 IonicContact NE-OD2 2.7Å; R200-D243 PolarHBondContact NE-OD2 3.39Å; R200-D243 IonicContact NH2-OD2 2.9Å; R200-D243 PolarHBondContact NH2-OD2 3.22Å; R240-D243 HydrophobicContact CB-CB 4.08Å; R240-D243 WeakPolarHBondContact O-CB 2.81Å; R240-D243 PolarHBondContact O-N 3.48Å; P241-D243 VanDerWaalsContact C-N 3.33Å
244	V	77.9	Confident	82.4	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-74	128.5	-176.4	-176.1	0	0	0	0	110.8	I195 D196 L242 I248 L249	I195-V244 HydrophobicContact CG2-CG2 4.07Å; D196-V244 HydrophobicContact CB-CG2 3.97Å; L242-V244 VanDerWaalsContact C-N 3.31Å; V244-I248 HydrophobicContact CG1-CB 4.12Å; V244-I248 HydrophobicContact CG1-CD1 4.37Å; V244-I248 HydrophobicContact CG1-CG2 4.1Å; V244-L249 HydrophobicContact CB-CD2 4.12Å; V244-L249 HydrophobicContact CB-CG 4.22Å; V244-L249 HydrophobicContact CG1-CD2 3.96Å; V244-L249 HydrophobicContact CG1-CG 4.01Å
245	D	75.6	Confident	82.2	Confident	33 Å²	33	44.3 Å²	44.3	18%	0.176	22%	0.217	C	C	.	.			trans	-54.2	128.3	-179.9	-174.8	-38.8	0	0	0	111	L199 A247 I248 L249	L199-D245 WeakPolarHBondContact O-CB 3.31Å; L199-D245 PolarHBondContact O-N 2.83Å; D245-A247 PolarHBondContact O-N 3.18Å; D245-A247 VanDerWaalsContact OD1-CB 3.23Å; D245-A247 WeakPolarHBondContact OD1-CB 3.34Å; D245-A247 PolarHBondContact OD1-N 3.44Å; D245-I248 HydrophobicContact CB-CD1 3.98Å; D245-I248 PolarHBondContact O-N 2.88Å; D245-L249 PolarHBondContact O-N 2.72Å
246	P	75.2	Confident	81.8	Confident	42 Å²	42	44.6 Å²	44.6	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-48.9	-29.9	176	-30.3	34.3	0	0	0	114.7	I248 L249 R250 W279	P246-I248 VanDerWaalsContact C-N 3.26Å; P246-I248 PolarHBondContact O-N 2.86Å; P246-L249 PolarHBondContact O-N 3.07Å; P246-R250 VanDerWaalsContact O-CG 3.31Å; P246-R250 WeakPolarHBondContact O-CG 3.33Å; P246-R250 PolarHBondContact O-N 3.32Å; P246-W279 HydrophobicContact CB-CZ3 4.11Å; P246-W279 HydrophobicContact CG-CZ3 4.44Å
247	A	73	Confident	81.4	Confident	21 Å²	21	45.6 Å²	45.6	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-31.5	176	0	0	0	0	0	112.9	L218 D245 R251	L218-A247 HydrophobicContact CD1-CB 4.36Å; D245-A247 PolarHBondContact O-N 3.18Å; D245-A247 VanDerWaalsContact OD1-CB 3.23Å; D245-A247 WeakPolarHBondContact OD1-CB 3.34Å; D245-A247 PolarHBondContact OD1-N 3.44Å; A247-R251 PolarHBondContact O-NH1 3.01Å
248	I	79.9	Confident	80.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-86.6	-40	177.1	-65.5	145.9	0	0	0	110.8	I195 L199 L218 W221 V244 D245 P246 R250 R251 M252	I195-I248 HydrophobicContact CD1-CG2 3.84Å; L199-I248 HydrophobicContact CB-CD1 3.04Å; L199-I248 HydrophobicContact CB-CG1 4.48Å; L199-I248 HydrophobicContact CD1-CD1 3.18Å; L199-I248 HydrophobicContact CD1-CG1 3.99Å; L199-I248 HydrophobicContact CD2-CD1 3.61Å; L199-I248 HydrophobicContact CG-CD1 3.34Å; L199-I248 HydrophobicContact CG-CG1 4.49Å; L218-I248 HydrophobicContact CD2-CG1 3.94Å; W221-I248 HydrophobicContact CH2-CG2 4.23Å; W221-I248 HydrophobicContact CZ3-CG2 4.06Å; V244-I248 HydrophobicContact CG1-CB 4.12Å; V244-I248 HydrophobicContact CG1-CD1 4.37Å; V244-I248 HydrophobicContact CG1-CG2 4.1Å; D245-I248 HydrophobicContact CB-CD1 3.98Å; D245-I248 PolarHBondContact O-N 2.88Å; P246-I248 VanDerWaalsContact C-N 3.26Å; P246-I248 PolarHBondContact O-N 2.86Å; I248-R250 PolarHBondContact O-N 2.93Å; I248-R251 CarbonylContact O-C 3.36Å; I248-R251 WeakPolarHBondContact O-CA 3.48Å; I248-R251 WeakPolarHBondContact O-CB 3.28Å; I248-R251 PolarHBondContact O-N 3.27Å; I248-M252 HydrophobicContact CG2-CE 3.82Å; I248-M252 HydrophobicContact CG2-CG 4.17Å; I248-M252 HydrophobicContact CG2-SD 3.82Å; I248-M252 PolarHBondContact O-N 3.12Å
249	L	80.2	Confident	79.9	Confident	14 Å²	14	47 Å²	47	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-55.4	-35.2	174.4	-69	179.4	0	0	0	111	L131 V244 D245 P246 R251 M252 R255	L131-L249 HydrophobicContact CD2-CD2 3.81Å; V244-L249 HydrophobicContact CB-CD2 4.12Å; V244-L249 HydrophobicContact CB-CG 4.22Å; V244-L249 HydrophobicContact CG1-CD2 3.96Å; V244-L249 HydrophobicContact CG1-CG 4.01Å; D245-L249 PolarHBondContact O-N 2.72Å; P246-L249 PolarHBondContact O-N 3.07Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 2.74Å; L249-M252 PolarHBondContact O-N 3.45Å; L249-R255 PolarHBondContact O-NH2 2.83Å
250	R	79.1	Confident	78.7	Confident	150 Å²	150	49.4 Å²	49.4	57%	0.566	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.2	171.9	-74.5	176.1	-169.7	156.6	6.8	114.5	P246 I248 W279	P246-R250 VanDerWaalsContact O-CG 3.31Å; P246-R250 WeakPolarHBondContact O-CG 3.33Å; P246-R250 PolarHBondContact O-N 3.32Å; I248-R250 PolarHBondContact O-N 2.93Å; R250-W279 VanDerWaalsContact NH2-CH2 3.34Å; R250-W279 VanDerWaalsContact NH2-CZ2 3.28Å; R250-W279 VanDerWaalsContact NH2-CZ3 3.29Å
251	R	82.2	Confident	77.2	Confident	63 Å²	63	47.4 Å²	47.4	24%	0.238	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.9	178.1	-69	172.4	174.7	79	-0.4	113.1	G129 W221 D222 A247 I248 L249 P253	G129-R251 WeakPolarHBondContact CA-O 3.45Å; W221-R251 HydrophobicContact CD2-CB 4.25Å; W221-R251 HydrophobicContact CZ2-CB 4.16Å; D222-R251 VanDerWaalsContact CG-NH2 3.3Å; D222-R251 IonicContact OD1-CZ 2.86Å; D222-R251 VanDerWaalsContact OD1-CZ 3.27Å; D222-R251 IonicContact OD1-NE 2.72Å; D222-R251 PolarHBondContact OD1-NE 3.07Å; D222-R251 IonicContact OD1-NH2 3.3Å; D222-R251 PolarHBondContact OD1-NH2 3.46Å; D222-R251 IonicContact OD2-CZ 3.08Å; D222-R251 IonicContact OD2-NE 3.52Å; D222-R251 IonicContact OD2-NH2 3.48Å; D222-R251 PolarHBondContact OD2-NH2 3.03Å; A247-R251 PolarHBondContact O-NH1 3.01Å; I248-R251 CarbonylContact O-C 3.36Å; I248-R251 WeakPolarHBondContact O-CA 3.48Å; I248-R251 WeakPolarHBondContact O-CB 3.28Å; I248-R251 PolarHBondContact O-N 3.27Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 2.74Å; R251-P253 WeakPolarHBondContact O-CD 3.45Å
252	M	83.7	Confident	75.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.			trans	-111.8	76.1	174.6	-66.9	-178.1	165.6	0	0	110.5	L131 I195 W221 I248 L249 S254 R255	L131-M252 HydrophobicContact CB-CB 4.34Å; L131-M252 HydrophobicContact CB-SD 3.63Å; L131-M252 HydrophobicContact CD1-CE 4.37Å; L131-M252 HydrophobicContact CD1-SD 3.74Å; L131-M252 HydrophobicContact CG-SD 4.15Å; I195-M252 HydrophobicContact CD1-CE 3.2Å; I195-M252 HydrophobicContact CD1-SD 4.46Å; W221-M252 HydrophobicContact CH2-CE 3.61Å; W221-M252 HydrophobicContact CH2-CG 3.86Å; W221-M252 HydrophobicContact CZ2-CG 4.15Å; W221-M252 HydrophobicContact CZ3-CE 4.4Å; I248-M252 HydrophobicContact CG2-CE 3.82Å; I248-M252 HydrophobicContact CG2-CG 4.17Å; I248-M252 HydrophobicContact CG2-SD 3.82Å; I248-M252 PolarHBondContact O-N 3.12Å; L249-M252 PolarHBondContact O-N 3.45Å; M252-S254 VanDerWaalsContact C-N 3.28Å; M252-S254 PolarHBondContact O-N 3.49Å; M252-R255 PolarHBondContact O-NE 2.61Å
253	P	79.9	Confident	73	Confident	95 Å²	95	55.3 Å²	55.3	62%	0.617	28%	0.276	S	S	*	.			trans	-64.3	-32	-179.8	26.2	-35.6	0	0	0	112.6	G129 R251	G129-P253 WeakPolarHBondContact O-CD 3.45Å; R251-P253 WeakPolarHBondContact O-CD 3.45Å
254	S	84.5	Confident	70.7	Confident	19 Å²	19	56.9 Å²	56.9	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125	178.7	-54.5	0	0	0	0	110.4	P127 G129 V130 L131 M252	P127-S254 WeakPolarHBondContact CB-OG 3.21Å; G129-S254 PolarHBondContact O-N 2.7Å; V130-S254 CarbonylContact C-O 3.44Å; V130-S254 VanDerWaalsContact CA-O 3.23Å; V130-S254 WeakPolarHBondContact CA-O 3.46Å; L131-S254 PolarHBondContact N-O 3.2Å; M252-S254 VanDerWaalsContact C-N 3.28Å; M252-S254 PolarHBondContact O-N 3.49Å
255	R	87.5	Confident	68.4	Low	78 Å²	78	66.1 Å²	66.1	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.5	-177.9	-50.6	-177.6	-171.6	160.5	4.8	110.1	L131 Y133 L249 M252	L131-R255 HydrophobicContact CB-CB 4.25Å; L131-R255 HydrophobicContact CB-CG 4.03Å; L131-R255 CarbonylContact O-C 3.56Å; L131-R255 WeakPolarHBondContact O-CA 3.43Å; Y133-R255 HydrophobicContact CD1-CB 4.43Å; Y133-R255 HydrophobicContact CE1-CB 3.91Å; L249-R255 PolarHBondContact O-NH2 2.83Å; M252-R255 PolarHBondContact O-NE 2.61Å
256	F	85.4	Confident	66.2	Low	7 Å²	7	71.7 Å²	71.7	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.5	-176.3	-57.6	-84.9	0	0	0	110.4	L103 E106 L107 T110 V130 L131 L132 Y133	L103-F256 HydrophobicContact CD1-CB 4.04Å; L103-F256 HydrophobicContact CG-CB 4.32Å; L103-F256 HydrophobicContact CG-CD1 4.41Å; E106-F256 HydrophobicContact CB-CE1 4.01Å; E106-F256 HydrophobicContact CG-CE1 3.73Å; L107-F256 HydrophobicContact CD2-CD1 4.35Å; L107-F256 HydrophobicContact CD2-CD2 3.53Å; L107-F256 HydrophobicContact CD2-CE1 4.23Å; L107-F256 HydrophobicContact CD2-CE2 3.4Å; L107-F256 HydrophobicContact CD2-CG 4.02Å; L107-F256 HydrophobicContact CD2-CZ 3.78Å; L107-F256 HydrophobicContact CG-CD1 4.26Å; L107-F256 HydrophobicContact CG-CD2 4.28Å; L107-F256 HydrophobicContact CG-CE1 4.25Å; L107-F256 HydrophobicContact CG-CE2 4.27Å; L107-F256 HydrophobicContact CG-CG 4.27Å; L107-F256 HydrophobicContact CG-CZ 4.26Å; T110-F256 HydrophobicContact CG2-CZ 4.18Å; V130-F256 HydrophobicContact CG1-CD2 3.56Å; V130-F256 HydrophobicContact CG1-CE2 3.61Å; L131-F256 PolarHBondContact O-N 3.19Å; L132-F256 HydrophobicContact CD2-CB 3.86Å; L132-F256 HydrophobicContact CD2-CD2 4.1Å; L132-F256 HydrophobicContact CD2-CG 4.37Å; Y133-F256 VanDerWaalsContact CD1-O 3.31Å; Y133-F256 WeakPolarHBondContact CD1-O 3.45Å; Y133-F256 PolarHBondContact N-O 2.95Å
257	C	82.3	Confident	64	Low	21 Å²	21	73 Å²	73	14%	0.142	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.4	178.6	-162.9	0	0	0	0	110.6	L103 Y133 N259 Y271	L103-C257 WeakPolarHBondContact CD1-O 3.44Å; Y133-C257 HydrophobicContact CD2-CB 4.35Å; Y133-C257 HydrophobicContact CE1-CB 4.08Å; Y133-C257 HydrophobicContact CE2-CB 3.64Å; Y133-C257 WeakPolarHBondContact CE2-SG 3.49Å; Y133-C257 VanDerWaalsContact CZ-CB 3.48Å; Y133-C257 CarbonylContact O-C 3.45Å; Y133-C257 WeakPolarHBondContact OH-CB 3.17Å; C257-N259 PolarHBondContact O-ND2 3.49Å; C257-N259 PolarHBondContact SG-OD1 2.72Å; C257-Y271 HydrophobicContact CB-CD1 3.97Å
258	L	79.6	Confident	61.8	Low	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.39	C	S	.	.			trans	-95.9	97.2	176.5	-65.1	170.8	0	0	0	109.6	Y100 L103 L132 Y133 P135 C138 K140 I143	Y100-L258 HydrophobicContact CD1-CD2 4.37Å; Y100-L258 HydrophobicContact CE1-CD2 4.46Å; L103-L258 HydrophobicContact CD1-CD2 3.73Å; L103-L258 HydrophobicContact CD1-CG 4.48Å; L103-L258 HydrophobicContact CD2-CD2 3.63Å; L103-L258 HydrophobicContact CG-CD2 4.38Å; L132-L258 HydrophobicContact CB-CD1 4.08Å; Y133-L258 PolarHBondContact O-N 3.35Å; P135-L258 WeakPolarHBondContact CD-O 3.4Å; C138-L258 HydrophobicContact CB-CB 3.91Å; C138-L258 PolarHBondContact SG-O 2.94Å; C138-L258 VanDerWaalsContact SG-O 3.41Å; K140-L258 HydrophobicContact CB-CD1 3.72Å; K140-L258 HydrophobicContact CD-CD1 4.26Å; K140-L258 HydrophobicContact CG-CD1 3.57Å; I143-L258 HydrophobicContact CD1-CD1 3.88Å; I143-L258 HydrophobicContact CD1-CD2 3.26Å; I143-L258 HydrophobicContact CD1-CG 4.22Å
259	N	67	Low	59.5	Low	30 Å²	30	83.2 Å²	83.2	16%	0.16	41%	0.414	C	S	.	.			trans	-84.3	163.5	-175.1	-57.2	-51.8	0	0	0	112	Y100 C257 Y271	Y100-N259 VanDerWaalsContact CE1-O 3.23Å; Y100-N259 WeakPolarHBondContact CE1-O 3.4Å; Y100-N259 PolarHBondContact OH-O 3.39Å; C257-N259 PolarHBondContact O-ND2 3.49Å; C257-N259 PolarHBondContact SG-OD1 2.72Å; N259-Y271 HydrophobicContact CB-CE1 4.42Å; N259-Y271 HydrophobicContact CB-CE2 4.2Å; N259-Y271 WeakPolarHBondContact CB-OH 3.2Å; N259-Y271 VanDerWaalsContact CG-CE2 3.45Å; N259-Y271 WeakPolarHBondContact ND2-CD1 3.5Å; N259-Y271 WeakPolarHBondContact ND2-CD2 3.37Å; N259-Y271 WeakPolarHBondContact ND2-CE1 3.36Å; N259-Y271 WeakPolarHBondContact ND2-CE2 3.43Å; N259-Y271 PolarHBondContact ND2-OH 2.74Å; N259-Y271 WeakPolarHBondContact OD1-CE1 3.3Å; N259-Y271 PolarHBondContact OD1-OH 3.15Å
260	L	62.7	Low	57.1	Low	105 Å²	105	87.7 Å²	87.7	55%	0.55	43%	0.433	S	S	.	.			trans	-66.2	138.1	169.5	-69.5	164	0	0	0	108.5	P135 V262	P135-L260 HydrophobicContact CB-CD2 4.41Å; P135-L260 HydrophobicContact CB-CG 4.34Å; P135-L260 HydrophobicContact CG-CD1 4.3Å; P135-L260 HydrophobicContact CG-CG 4.1Å; L260-V262 WeakPolarHBondContact O-CG2 3.44Å; L260-V262 PolarHBondContact O-N 3.31Å
261	P	47.6	Very low	54.8	Low	100 Å²	100	86.5 Å²	86.5	65%	0.649	43%	0.43	S	S	*	.			trans	-63	107.1	177.2	23.9	-31.6	0	0	0	109.6
262	V	40.5	Very low	52.4	Low	86 Å²	86	91.5 Å²	91.5	52%	0.521	45%	0.453	S	S	.	.			trans	-87	130.6	172.5	-158.3	0	0	0	0	107.6	L260 L264	L260-V262 WeakPolarHBondContact O-CG2 3.44Å; L260-V262 PolarHBondContact O-N 3.31Å; V262-L264 VanDerWaalsContact C-N 3.29Å; V262-L264 HydrophobicContact CB-CD1 3.82Å; V262-L264 HydrophobicContact CB-CG 4.22Å; V262-L264 HydrophobicContact CG1-CD1 3.39Å; V262-L264 HydrophobicContact CG1-CG 3.75Å; V262-L264 PolarHBondContact O-N 2.8Å
263	R	30.6	Very low	50.1	Low	251 Å²	251	94.4 Å²	94.4	95%	0.947	48%	0.477	S	S	*	.			trans	-69.8	86.3	172.7	-85.1	-174.4	177.1	171.4	0.5	109
264	L	30.5	Very low	47.9	Very low	79 Å²	79	92.4 Å²	92.4	41%	0.414	47%	0.469	S	S	.	.			trans	-133.2	115.3	179.4	-71.4	167.7	0	0	0	112.8	V262 E663	V262-L264 VanDerWaalsContact C-N 3.29Å; V262-L264 HydrophobicContact CB-CD1 3.82Å; V262-L264 HydrophobicContact CB-CG 4.22Å; V262-L264 HydrophobicContact CG1-CD1 3.39Å; V262-L264 HydrophobicContact CG1-CG 3.75Å; V262-L264 PolarHBondContact O-N 2.8Å; L264-E663 HydrophobicContact CD1-CB 3.5Å; L264-E663 VanDerWaalsContact CD1-CB 3.5Å; L264-E663 HydrophobicContact CD1-CG 3.44Å; L264-E663 VanDerWaalsContact CD1-CG 3.44Å; L264-E663 VanDerWaalsContact CD1-OE1 3.26Å; L264-E663 WeakPolarHBondContact CD1-OE1 3.07Å; L264-E663 WeakPolarHBondContact CD1-OE2 3.21Å; L264-E663 HydrophobicContact CD2-CB 4.38Å
265	K	30.3	Very low	45.3	Very low	195 Å²	195	95 Å²	95	85%	0.848	48%	0.478	S	S	*	.	S	Bend	trans	-69.7	124.2	152.6	-78.2	177.3	172.6	177.8	0	107.2
266	N	28.8	Very low	42.7	Very low	150 Å²	150	96.4 Å²	96.4	80%	0.802	50%	0.497	S	S	*	.	S	Bend	trans	62.9	73.2	152.5	-56.9	-15	0	0	0	118.8
267	S	29.5	Very low	40.4	Very low	69 Å²	69	101.3 Å²	101.3	48%	0.483	52%	0.522	S	S	.	.			trans	-172.2	110.4	134.2	21.7	0	0	0	0	113.2
268	V	27.3	Very low	38.2	Very low	119 Å²	119	108 Å²	108	72%	0.721	56%	0.556	S	S	*	*			trans	-61.8	144.4	169.8	-178.7	0	0	0	0	110.8
269	K	29.6	Very low	35.8	Very low	116 Å²	116	115 Å²	115	50%	0.504	58%	0.583	S	S	.	*			trans	127.9	36.4	154.2	-65.8	-169.2	178.8	-166	0	119	D389	K269-D389 PolarHBondContact NZ-O 3.39Å
270	F	31.3	Very low	34.2	Very low	109 Å²	109	118.5 Å²	118.5	48%	0.478	61%	0.607	S	S	.	*	S	Bend	trans	-103.3	-0.3	178.1	-106.6	-86	0	0	0	119
271	Y	30.3	Very low	32.5	Very low	125 Å²	125	120.8 Å²	120.8	49%	0.49	62%	0.619	S	S	.	*	S	Bend	trans	-116	0.3	-169.2	-75.8	-75.5	0	0	0	119.9	C257 N259	C257-Y271 HydrophobicContact CB-CD1 3.97Å; N259-Y271 HydrophobicContact CB-CE1 4.42Å; N259-Y271 HydrophobicContact CB-CE2 4.2Å; N259-Y271 WeakPolarHBondContact CB-OH 3.2Å; N259-Y271 VanDerWaalsContact CG-CE2 3.45Å; N259-Y271 WeakPolarHBondContact ND2-CD1 3.5Å; N259-Y271 WeakPolarHBondContact ND2-CD2 3.37Å; N259-Y271 WeakPolarHBondContact ND2-CE1 3.36Å; N259-Y271 WeakPolarHBondContact ND2-CE2 3.43Å; N259-Y271 PolarHBondContact ND2-OH 2.74Å; N259-Y271 WeakPolarHBondContact OD1-CE1 3.3Å; N259-Y271 PolarHBondContact OD1-OH 3.15Å
272	K	31.7	Very low	31.7	Very low	168 Å²	168	123.4 Å²	123.4	73%	0.73	63%	0.627	S	S	*	*	S	Bend	trans	-97	-0.7	-178.2	-90.7	-179	179.4	175.6	0	116.9	D389	K272-D389 IonicContact NZ-OD2 3.58Å; K272-D389 PolarHBondContact NZ-OD2 3Å
273	A	35.2	Very low	31.1	Very low	61 Å²	61	125.5 Å²	125.5	50%	0.504	64%	0.64	S	S	.	*	S	Bend	trans	-104.4	11.4	-173.4	0	0	0	0	0	115.8
274	A	33.6	Very low	31	Very low	53 Å²	53	120.1 Å²	120.1	44%	0.438	64%	0.635	S	S	.	*	S	Bend	trans	-100.9	3.4	-170	0	0	0	0	0	116.2
275	F	30.7	Very low	30.9	Very low	73 Å²	73	120.5 Å²	120.5	32%	0.32	65%	0.649	S	S	.	*			trans	-142.5	87.3	179.7	-73.3	-86.2	0	0	0	114.4	Y133	Y133-F275 HydrophobicContact CE1-CE2 4.37Å; Y133-F275 AromaticContact CE2-CE2 3.89Å; Y133-F275 HydrophobicContact CE2-CE2 3.89Å; Y133-F275 HydrophobicContact CE2-CZ 4.3Å; Y133-F275 AromaticContact CZ-CE2 3.62Å; Y133-F275 WeakPolarHBondContact OH-CE2 3.34Å
276	P	32.6	Very low	31	Very low	107 Å²	107	122.6 Å²	122.6	70%	0.695	65%	0.652	S	S	*	*			trans	-105.1	104.4	155.2	31.6	-18.1	0	0	0	108.9
277	I	37	Very low	31.3	Very low	111 Å²	111	122.3 Å²	122.3	57%	0.569	65%	0.65	S	S	*	*			trans	-103.2	96.4	166.9	-59.8	174.9	0	0	0	107.9
278	D	35.3	Very low	31.8	Very low	160 Å²	160	124.3 Å²	124.3	86%	0.856	66%	0.661	S	S	*	*			trans	-79	123.2	157.2	-97.3	-29.3	0	0	0	109
279	W	30.2	Very low	32.2	Very low	148 Å²	148	126.1 Å²	126.1	56%	0.561	66%	0.662	S	S	*	*			trans	-98.5	123.2	176	-171.6	-89.6	0	0	0	110.4	P246 R250	P246-W279 HydrophobicContact CB-CZ3 4.11Å; P246-W279 HydrophobicContact CG-CZ3 4.44Å; R250-W279 VanDerWaalsContact NH2-CH2 3.34Å; R250-W279 VanDerWaalsContact NH2-CZ2 3.28Å; R250-W279 VanDerWaalsContact NH2-CZ3 3.29Å
280	P	32.1	Very low	32.7	Very low	103 Å²	103	125.7 Å²	125.7	67%	0.669	67%	0.668	S	S	*	*			trans	-133.5	146	146.5	34.7	-20.6	0	0	0	113.3
281	L	28.2	Very low	33.1	Very low	154 Å²	154	123.8 Å²	123.8	81%	0.806	67%	0.665	S	S	*	*			trans	84.2	101.4	166.3	-55	164.1	0	0	0	116.6
282	L	30.2	Very low	33.5	Very low	155 Å²	155	126 Å²	126	81%	0.812	67%	0.673	S	S	*	*				-163.8	115.6	125	-99.6	157.1	0	0	0	109.5
283	T	27.6	Very low	33.9	Very low	130 Å²	130	123.2 Å²	123.2	80%	0.798	67%	0.665	S	S	*	*			trans	-44	143.8	163.8	13.5	0	0	0	0	112.4
284	V	29.3	Very low	34.1	Very low	137 Å²	137	125.4 Å²	125.4	83%	0.83	67%	0.668	S	S	*	*			trans	168.4	111.9	130.5	166.3	0	0	0	0	110.6
285	A	28.9	Very low	34.2	Very low	87 Å²	87	126.8 Å²	126.8	72%	0.719	67%	0.667	S	S	*	*			trans	29.9	132.9	143.1	0	0	0	0	0	122.7
286	R	30.8	Very low	34.8	Very low	240 Å²	240	127.5 Å²	127.5	91%	0.906	67%	0.674	S	S	*	*			trans	91.7	92.8	161.4	-57.7	-177.3	177.7	-174	-0.2	116.7
287	L	36.2	Very low	35.1	Very low	144 Å²	144	126.7 Å²	126.7	75%	0.754	66%	0.663	S	S	*	*			trans	176.6	101.4	142	-94.2	158.7	0	0	0	109.2
288	P	38.8	Very low	35.1	Very low	111 Å²	111	124.7 Å²	124.7	72%	0.721	66%	0.663	S	S	*	*			trans	-86.5	-19.3	-155.1	-13.8	30.9	0	0	0	119.7
289	E	36	Very low	35.2	Very low	157 Å²	157	125 Å²	125	73%	0.734	66%	0.656	S	S	*	*	S	Bend	trans	-117.3	-49	-167	-75.3	-170.3	149.3	0	0	116.1	R292 I293	E289-R292 PolarHBondContact O-N 2.9Å; E289-I293 PolarHBondContact O-N 3.01Å
290	V	41.5	Very low	35.5	Very low	106 Å²	106	122.1 Å²	122.1	64%	0.642	66%	0.659	S	S	*	*	H	α-helix	trans	-71.6	-38	-177.3	-178	0	0	0	0	111.8	R292 I293 L294	V290-R292 VanDerWaalsContact C-N 3.3Å; V290-R292 PolarHBondContact O-N 2.9Å; V290-I293 PolarHBondContact O-N 2.7Å; V290-L294 HydrophobicContact CG1-CD1 4.08Å; V290-L294 PolarHBondContact O-N 2.99Å
291	V	39.7	Very low	35.7	Very low	69 Å²	69	120.7 Å²	120.7	42%	0.418	64%	0.642	S	S	.	*	H	α-helix	trans	-71.3	-25.3	176.9	-179.7	0	0	0	0	111.2	L295	V291-L295 HydrophobicContact CG1-CD1 3.56Å; V291-L295 HydrophobicContact CG1-CG 3.94Å; V291-L295 WeakPolarHBondContact O-CA 3.46Å; V291-L295 WeakPolarHBondContact O-CB 3.37Å; V291-L295 WeakPolarHBondContact O-CG 3.26Å; V291-L295 PolarHBondContact O-N 3.15Å
292	R	37.4	Very low	36	Very low	173 Å²	173	116.4 Å²	116.4	65%	0.653	64%	0.636	S	S	*	*	H	α-helix	trans	-73.1	-36.2	173.8	-162	178.5	104.8	-178.6	4.6	111.8	E289 V290 N296	E289-R292 PolarHBondContact O-N 2.9Å; V290-R292 VanDerWaalsContact C-N 3.3Å; V290-R292 PolarHBondContact O-N 2.9Å; R292-N296 WeakPolarHBondContact O-CB 3.09Å; R292-N296 PolarHBondContact O-N 2.87Å; R292-N296 PolarHBondContact O-ND2 3.33Å
293	I	41.7	Very low	36.5	Very low	109 Å²	109	111.4 Å²	111.4	56%	0.559	62%	0.621	S	S	*	*	H	α-helix	trans	-68.3	-46.9	173.6	-64.2	169.7	0	0	0	109.8	E289 V290 N296 I297	E289-I293 PolarHBondContact O-N 3.01Å; V290-I293 PolarHBondContact O-N 2.7Å; I293-N296 PolarHBondContact O-N 3.31Å; I293-I297 HydrophobicContact CG2-CD1 3.95Å; I293-I297 VanDerWaalsContact O-CG1 3.26Å; I293-I297 WeakPolarHBondContact O-CG1 3.43Å; I293-I297 PolarHBondContact O-N 3.45Å
294	L	38.3	Very low	37.6	Very low	107 Å²	107	105.8 Å²	105.8	56%	0.56	59%	0.586	S	S	*	*	H	α-helix	trans	-69.1	-34.3	178	-73.7	167	0	0	0	113.3	V290 A298	V290-L294 HydrophobicContact CG1-CD1 4.08Å; V290-L294 PolarHBondContact O-N 2.99Å; L294-A298 WeakPolarHBondContact O-CB 3.34Å; L294-A298 PolarHBondContact O-N 3.05Å
295	L	36.6	Very low	38.4	Very low	82 Å²	82	105.4 Å²	105.4	43%	0.429	57%	0.574	S	S	.	*	H	α-helix	trans	-76.2	-29.3	173	-77.6	170.4	0	0	0	112.4	V291 K299	V291-L295 HydrophobicContact CG1-CD1 3.56Å; V291-L295 HydrophobicContact CG1-CG 3.94Å; V291-L295 WeakPolarHBondContact O-CA 3.46Å; V291-L295 WeakPolarHBondContact O-CB 3.37Å; V291-L295 WeakPolarHBondContact O-CG 3.26Å; V291-L295 PolarHBondContact O-N 3.15Å; L295-K299 WeakPolarHBondContact O-CA 3.25Å; L295-K299 WeakPolarHBondContact O-CB 3.41Å; L295-K299 WeakPolarHBondContact O-CG 3.47Å; L295-K299 PolarHBondContact O-N 3.36Å
296	N	41.5	Very low	40.1	Very low	88 Å²	88	105 Å²	105	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-71.5	-39.6	171.4	-76.9	-11.6	0	0	0	110.1	R292 I293 S300	R292-N296 WeakPolarHBondContact O-CB 3.09Å; R292-N296 PolarHBondContact O-N 2.87Å; R292-N296 PolarHBondContact O-ND2 3.33Å; I293-N296 PolarHBondContact O-N 3.31Å; N296-S300 WeakPolarHBondContact O-CB 3.46Å; N296-S300 PolarHBondContact O-N 3.5Å; N296-S300 PolarHBondContact O-OG 2.62Å
297	I	40.7	Very low	42.1	Very low	90 Å²	90	97.5 Å²	97.5	46%	0.462	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-44.8	170.5	-64.1	165.4	0	0	0	110.3	I293 K299 S300 F301	I293-I297 HydrophobicContact CG2-CD1 3.95Å; I293-I297 VanDerWaalsContact O-CG1 3.26Å; I293-I297 WeakPolarHBondContact O-CG1 3.43Å; I293-I297 PolarHBondContact O-N 3.45Å; I297-K299 PolarHBondContact O-N 3.4Å; I297-S300 PolarHBondContact O-N 2.83Å; I297-F301 HydrophobicContact CG2-CD2 4.18Å; I297-F301 HydrophobicContact CG2-CE2 4.09Å; I297-F301 WeakPolarHBondContact O-CD2 3.24Å; I297-F301 PolarHBondContact O-N 2.97Å
298	A	37.1	Very low	44.2	Very low	68 Å²	68	97.8 Å²	97.8	56%	0.562	53%	0.53	S	S	*	.	H	α-helix	trans	-71.5	-29	179.7	0	0	0	0	0	113.8	L294	L294-A298 WeakPolarHBondContact O-CB 3.34Å; L294-A298 PolarHBondContact O-N 3.05Å
299	K	35.9	Very low	45.7	Very low	166 Å²	166	95.1 Å²	95.1	72%	0.722	51%	0.508	S	S	*	.	H	α-helix	trans	-84.3	-19.9	175.7	-73.5	178	174.9	-176.9	0	113.6	L295 I297	L295-K299 WeakPolarHBondContact O-CA 3.25Å; L295-K299 WeakPolarHBondContact O-CB 3.41Å; L295-K299 WeakPolarHBondContact O-CG 3.47Å; L295-K299 PolarHBondContact O-N 3.36Å; I297-K299 PolarHBondContact O-N 3.4Å
300	S	36.7	Very low	47.8	Very low	88 Å²	88	88.1 Å²	88.1	62%	0.615	48%	0.475	S	S	*	.	H	α-helix	trans	-82.1	-15.2	172.6	-62.5	0	0	0	0	113.4	N296 I297	N296-S300 WeakPolarHBondContact O-CB 3.46Å; N296-S300 PolarHBondContact O-N 3.5Å; N296-S300 PolarHBondContact O-OG 2.62Å; I297-S300 PolarHBondContact O-N 2.83Å
301	F	37.1	Very low	50	Low	73 Å²	73	83.5 Å²	83.5	32%	0.32	45%	0.446	S	S	.	.			trans	-117.1	66.8	-174.1	-71.6	-105.4	0	0	0	110.9	I297 G303 Q309	I297-F301 HydrophobicContact CG2-CD2 4.18Å; I297-F301 HydrophobicContact CG2-CE2 4.09Å; I297-F301 WeakPolarHBondContact O-CD2 3.24Å; I297-F301 PolarHBondContact O-N 2.97Å; F301-G303 PolarHBondContact O-N 2.93Å; F301-G303 VanDerWaalsContact O-N 3.16Å; F301-Q309 HydrophobicContact CE1-CB 4.13Å; F301-Q309 HydrophobicContact CE1-CG 4.06Å
302	G	33.6	Very low	52	Low	64 Å²	64	86.6 Å²	86.6	66%	0.66	45%	0.454	S	S	*	.	S	Bend	trans	-72.7	94.8	161.7	0	0	0	0	0	109.7
303	G	41.1	Very low	53.9	Low	50 Å²	50	79.5 Å²	79.5	52%	0.515	43%	0.43	S	S	.	.	S	Bend	trans	66.5	127.2	-175.4	0	0	0	0	0	112.1	F301 K305	F301-G303 PolarHBondContact O-N 2.93Å; F301-G303 VanDerWaalsContact O-N 3.16Å; G303-K305 WeakPolarHBondContact O-CG 3.26Å; G303-K305 PolarHBondContact O-N 2.62Å
304	I	50.4	Low	56	Low	12 Å²	12	74.3 Å²	74.3	6%	0.062	40%	0.403	C	S	.	.			trans	-73.9	85.4	172.9	-48.2	175.9	0	0	0	108.2	Q309 R310 V313 L344	I304-Q309 HydrophobicContact CG2-CB 3.37Å; I304-R310 HydrophobicContact CB-CG 3.95Å; I304-R310 HydrophobicContact CD1-CG 4.29Å; I304-R310 HydrophobicContact CG2-CB 4.26Å; I304-R310 HydrophobicContact CG2-CG 3.32Å; I304-R310 PolarHBondContact O-NH1 3.04Å; I304-R310 VanDerWaalsContact O-NH1 3.08Å; I304-V313 HydrophobicContact CD1-CG2 4.05Å; I304-L344 HydrophobicContact CD1-CD1 3.65Å
305	K	45.9	Very low	58.2	Low	130 Å²	130	74 Å²	74	57%	0.565	40%	0.399	S	S	*	.			trans	-71.8	-39.8	-176.4	-56.1	-163.8	176.8	-141.5	0	111.3	G303 R310 E399	G303-K305 WeakPolarHBondContact O-CG 3.26Å; G303-K305 PolarHBondContact O-N 2.62Å; K305-R310 PolarHBondContact O-NH1 3.41Å; K305-E399 WeakPolarHBondContact CD-OE1 3.31Å; K305-E399 VanDerWaalsContact CE-OE1 3.3Å; K305-E399 WeakPolarHBondContact CE-OE1 3.29Å; K305-E399 WeakPolarHBondContact CG-OE2 3.4Å; K305-E399 IonicContact NZ-OE1 3.05Å; K305-E399 PolarHBondContact NZ-OE1 3.07Å
306	D	65.3	Low	60.2	Low	78 Å²	78	74.6 Å²	74.6	42%	0.417	41%	0.406	S	S	.	.	S	Bend	trans	-94.9	137.4	-172	-173.6	3.9	0	0	0	112.5	K308 Q309 R310	D306-K308 PolarHBondContact O-N 3.45Å; D306-K308 PolarHBondContact OD1-N 3.35Å; D306-K308 VanDerWaalsContact OD1-N 3.12Å; D306-Q309 HydrophobicContact CB-CB 4.41Å; D306-Q309 HydrophobicContact CB-CG 4.08Å; D306-Q309 WeakPolarHBondContact O-CB 3.3Å; D306-Q309 PolarHBondContact O-N 2.97Å; D306-Q309 VanDerWaalsContact O-N 3.07Å; D306-R310 PolarHBondContact O-N 2.69Å
307	E	73.6	Confident	61.9	Low	82 Å²	82	72.7 Å²	72.7	38%	0.383	40%	0.395	S	S	.	.	H	α-helix	trans	-54.1	-41.7	171.8	-173.6	-179	147.6	0	0	111.4	Q309 R310 T311 A333 A334	E307-Q309 PolarHBondContact O-N 3.43Å; E307-R310 WeakPolarHBondContact O-CB 3.23Å; E307-R310 PolarHBondContact O-N 2.74Å; E307-T311 PolarHBondContact O-N 2.82Å; E307-T311 PolarHBondContact O-OG1 3.37Å; E307-A333 HydrophobicContact CG-CB 4.1Å; E307-A334 HydrophobicContact CG-CB 4.47Å
308	K	78.6	Confident	64	Low	150 Å²	150	68.7 Å²	68.7	65%	0.652	38%	0.375	S	S	*	.	H	α-helix	trans	-62.4	-30.9	178.1	-67.2	-178.8	177.6	176.3	0	113.1	D306 K312	D306-K308 PolarHBondContact O-N 3.45Å; D306-K308 PolarHBondContact OD1-N 3.35Å; D306-K308 VanDerWaalsContact OD1-N 3.12Å; K308-K312 WeakPolarHBondContact O-CG 3.34Å; K308-K312 PolarHBondContact O-N 2.71Å
309	Q	71.7	Confident	66.1	Low	56 Å²	56	74.3 Å²	74.3	26%	0.262	38%	0.382	S	S	.	.	H	α-helix	trans	-73.3	-39.2	175.5	-70.5	177.2	-26.1	0	0	110.6	F301 I304 D306 E307 K312 V313	F301-Q309 HydrophobicContact CE1-CB 4.13Å; F301-Q309 HydrophobicContact CE1-CG 4.06Å; I304-Q309 HydrophobicContact CG2-CB 3.37Å; D306-Q309 HydrophobicContact CB-CB 4.41Å; D306-Q309 HydrophobicContact CB-CG 4.08Å; D306-Q309 WeakPolarHBondContact O-CB 3.3Å; D306-Q309 PolarHBondContact O-N 2.97Å; D306-Q309 VanDerWaalsContact O-N 3.07Å; E307-Q309 PolarHBondContact O-N 3.43Å; Q309-K312 PolarHBondContact O-N 3.27Å; Q309-V313 WeakPolarHBondContact O-CG2 3.22Å; Q309-V313 PolarHBondContact O-N 2.88Å
310	R	80.2	Confident	68	Low	10 Å²	10	72.1 Å²	72.1	4%	0.038	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-43.6	174.2	-67	-171.2	-68.6	-83	1.1	111.3	I304 K305 D306 E307 K312 V313 L314 A333 C336 L344	I304-R310 HydrophobicContact CB-CG 3.95Å; I304-R310 HydrophobicContact CD1-CG 4.29Å; I304-R310 HydrophobicContact CG2-CB 4.26Å; I304-R310 HydrophobicContact CG2-CG 3.32Å; I304-R310 PolarHBondContact O-NH1 3.04Å; I304-R310 VanDerWaalsContact O-NH1 3.08Å; K305-R310 PolarHBondContact O-NH1 3.41Å; D306-R310 PolarHBondContact O-N 2.69Å; E307-R310 WeakPolarHBondContact O-CB 3.23Å; E307-R310 PolarHBondContact O-N 2.74Å; R310-K312 VanDerWaalsContact C-N 3.35Å; R310-K312 PolarHBondContact O-N 2.94Å; R310-V313 PolarHBondContact O-N 2.92Å; R310-V313 VanDerWaalsContact O-N 3.15Å; R310-L314 WeakPolarHBondContact O-CG 3.41Å; R310-L314 PolarHBondContact O-N 3.32Å; R310-A333 HydrophobicContact CB-CB 3.85Å; R310-A333 PolarHBondContact NE-O 3.16Å; R310-C336 WeakPolarHBondContact CD-O 3.38Å; R310-C336 PolarHBondContact NE-O 3Å; R310-L344 HydrophobicContact CB-CD1 4.22Å; R310-L344 HydrophobicContact CG-CD1 4.2Å
311	T	85.8	Confident	70.1	Confident	8 Å²	8	69.3 Å²	69.3	5%	0.049	36%	0.355	C	S	.	.	H	α-helix	trans	-55.2	-50	173.3	-55.7	0	0	0	0	110.7	E307 V313 L314 E315 L329 D330 A333	E307-T311 PolarHBondContact O-N 2.82Å; E307-T311 PolarHBondContact O-OG1 3.37Å; T311-V313 VanDerWaalsContact C-N 3.3Å; T311-V313 PolarHBondContact O-N 3.08Å; T311-L314 WeakPolarHBondContact O-CB 3.18Å; T311-L314 PolarHBondContact O-N 2.84Å; T311-L314 VanDerWaalsContact O-N 3.14Å; T311-E315 HydrophobicContact CG2-CG 4.42Å; T311-E315 WeakPolarHBondContact O-CG 3.42Å; T311-E315 PolarHBondContact O-N 2.96Å; T311-L329 HydrophobicContact CG2-CB 4.12Å; T311-D330 WeakPolarHBondContact CB-OD1 3.41Å; T311-D330 WeakPolarHBondContact CG2-OD1 3.45Å; T311-D330 PolarHBondContact OG1-OD1 3.42Å; T311-A333 WeakPolarHBondContact OG1-CB 3.33Å
312	K	82.5	Confident	72.3	Confident	134 Å²	134	71.3 Å²	71.3	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-60.8	-36.8	177.9	-74.9	175.5	-176.5	178.7	0	113.3	K308 Q309 R310 V316	K308-K312 WeakPolarHBondContact O-CG 3.34Å; K308-K312 PolarHBondContact O-N 2.71Å; Q309-K312 PolarHBondContact O-N 3.27Å; R310-K312 VanDerWaalsContact C-N 3.35Å; R310-K312 PolarHBondContact O-N 2.94Å; K312-V316 VanDerWaalsContact O-CG2 3.3Å; K312-V316 WeakPolarHBondContact O-CG2 3.19Å; K312-V316 PolarHBondContact O-N 3.09Å; K312-V316 VanDerWaalsContact O-N 3.12Å
313	V	78.1	Confident	74.7	Confident	24 Å²	24	71.1 Å²	71.1	15%	0.145	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-43.8	175.6	172.2	0	0	0	0	110.3	I304 Q309 R310 T311 V316 L317 L344	I304-V313 HydrophobicContact CD1-CG2 4.05Å; Q309-V313 WeakPolarHBondContact O-CG2 3.22Å; Q309-V313 PolarHBondContact O-N 2.88Å; R310-V313 PolarHBondContact O-N 2.92Å; R310-V313 VanDerWaalsContact O-N 3.15Å; T311-V313 VanDerWaalsContact C-N 3.3Å; T311-V313 PolarHBondContact O-N 3.08Å; V313-V316 PolarHBondContact O-N 3.45Å; V313-L317 HydrophobicContact CG1-CD1 3.79Å; V313-L317 HydrophobicContact CG1-CG 4.21Å; V313-L317 WeakPolarHBondContact O-CB 3.49Å; V313-L317 VanDerWaalsContact O-CG 3.3Å; V313-L317 WeakPolarHBondContact O-CG 3.31Å; V313-L317 PolarHBondContact O-N 2.91Å; V313-L344 HydrophobicContact CB-CD1 3.92Å; V313-L344 HydrophobicContact CG1-CB 4.38Å; V313-L344 HydrophobicContact CG1-CD1 3.66Å
314	L	84.6	Confident	76.9	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62	-41.6	174.8	-70.8	170.7	0	0	0	112.1	R310 T311 V316 L317 L318 L329 I332 A333 L344	R310-L314 WeakPolarHBondContact O-CG 3.41Å; R310-L314 PolarHBondContact O-N 3.32Å; T311-L314 WeakPolarHBondContact O-CB 3.18Å; T311-L314 PolarHBondContact O-N 2.84Å; T311-L314 VanDerWaalsContact O-N 3.14Å; L314-V316 VanDerWaalsContact C-N 3.25Å; L314-V316 PolarHBondContact O-N 3.25Å; L314-L317 PolarHBondContact O-N 3.36Å; L314-L318 WeakPolarHBondContact O-CB 3.41Å; L314-L318 PolarHBondContact O-N 3.21Å; L314-L329 HydrophobicContact CB-CD2 4.36Å; L314-I332 HydrophobicContact CD1-CB 4.1Å; L314-I332 HydrophobicContact CD1-CG2 3.76Å; L314-A333 HydrophobicContact CD1-CB 4.14Å; L314-L344 HydrophobicContact CD2-CB 4.42Å; L314-L344 HydrophobicContact CD2-CD2 4.18Å; L314-L344 HydrophobicContact CG-CD2 4.37Å
315	E	85.3	Confident	78.6	Confident	102 Å²	102	77.3 Å²	77.3	48%	0.477	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-36.5	173.6	-74.6	174.3	174.1	0	0	112.4	T311 R319 L329	T311-E315 HydrophobicContact CG2-CG 4.42Å; T311-E315 WeakPolarHBondContact O-CG 3.42Å; T311-E315 PolarHBondContact O-N 2.96Å; E315-R319 WeakPolarHBondContact O-CB 3.36Å; E315-R319 PolarHBondContact O-N 2.95Å; E315-L329 HydrophobicContact CB-CD1 4.44Å; E315-L329 HydrophobicContact CG-CD1 3.66Å
316	V	79.5	Confident	80.7	Confident	94 Å²	94	74.2 Å²	74.2	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-75	-43.7	177.1	170.9	0	0	0	0	111.1	K312 V313 L314	K312-V316 VanDerWaalsContact O-CG2 3.3Å; K312-V316 WeakPolarHBondContact O-CG2 3.19Å; K312-V316 PolarHBondContact O-N 3.09Å; K312-V316 VanDerWaalsContact O-N 3.12Å; V313-V316 PolarHBondContact O-N 3.45Å; L314-V316 VanDerWaalsContact C-N 3.25Å; L314-V316 PolarHBondContact O-N 3.25Å
317	L	77.3	Confident	81.8	Confident	47 Å²	47	71.5 Å²	71.5	25%	0.246	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-41.2	-179.7	-73.8	173.5	0	0	0	111.8	F123 V313 L314 L344	F123-L317 VanDerWaalsContact CE2-O 3.32Å; F123-L317 WeakPolarHBondContact CE2-O 3.41Å; F123-L317 HydrophobicContact CZ-CB 4.08Å; F123-L317 VanDerWaalsContact CZ-O 3.24Å; F123-L317 WeakPolarHBondContact CZ-O 3.43Å; V313-L317 HydrophobicContact CG1-CD1 3.79Å; V313-L317 HydrophobicContact CG1-CG 4.21Å; V313-L317 WeakPolarHBondContact O-CB 3.49Å; V313-L317 VanDerWaalsContact O-CG 3.3Å; V313-L317 WeakPolarHBondContact O-CG 3.31Å; V313-L317 PolarHBondContact O-N 2.91Å; L314-L317 PolarHBondContact O-N 3.36Å; L317-L344 HydrophobicContact CD1-CB 3.97Å
318	L	84.2	Confident	82.5	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.031	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7	-174.2	-62.9	168.8	0	0	0	113.8	F123 L314 D320 E321 L323 L329 C348 F379	F123-L318 HydrophobicContact CE2-CD2 3.88Å; F123-L318 HydrophobicContact CZ-CD2 4.37Å; L314-L318 WeakPolarHBondContact O-CB 3.41Å; L314-L318 PolarHBondContact O-N 3.21Å; L318-D320 PolarHBondContact O-N 2.93Å; L318-D320 VanDerWaalsContact O-N 3.15Å; L318-E321 HydrophobicContact CD2-CB 4.46Å; L318-E321 HydrophobicContact CD2-CG 4.24Å; L318-E321 PolarHBondContact O-N 3.31Å; L318-L323 HydrophobicContact CB-CD1 4.28Å; L318-L323 HydrophobicContact CD1-CD1 4.37Å; L318-L323 HydrophobicContact CD1-CD2 4.34Å; L318-L323 HydrophobicContact CD2-CD2 4.47Å; L318-L329 HydrophobicContact CD1-CD2 3.68Å; L318-C348 HydrophobicContact CD2-CB 4.14Å; L318-F379 HydrophobicContact CD1-CE1 3.91Å; L318-F379 HydrophobicContact CD1-CZ 3.66Å; L318-F379 HydrophobicContact CD2-CE1 4.36Å; L318-F379 HydrophobicContact CD2-CZ 4.01Å
319	R	81.8	Confident	83	Confident	187 Å²	187	65.6 Å²	65.6	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-37.7	-174.7	-179.7	177.1	-69.7	-177.6	-2.2	114	E315	E315-R319 WeakPolarHBondContact O-CB 3.36Å; E315-R319 PolarHBondContact O-N 2.95Å
320	D	75.2	Confident	83.8	Confident	120 Å²	120	66.7 Å²	66.7	64%	0.642	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	4.9	-174.7	-61.6	-24.9	0	0	0	112.4	R228 L318	R228-D320 IonicContact NH1-OD2 2.67Å; L318-D320 PolarHBondContact O-N 2.93Å; L318-D320 VanDerWaalsContact O-N 3.15Å
321	E	81.1	Confident	84.1	Confident	29 Å²	29	69.1 Å²	69.1	14%	0.136	35%	0.348	C	S	.	.	S	Bend	trans	-102.8	147.8	-176.8	-57.2	-63.8	156.3	0	0	111.3	S121 A122 F123 L318 L323 F374	S121-E321 WeakPolarHBondContact CA-OE1 3.27Å; S121-E321 WeakPolarHBondContact CB-OE2 3.47Å; S121-E321 PolarHBondContact OG-OE1 3.19Å; S121-E321 PolarHBondContact OG-OE2 3.17Å; A122-E321 PolarHBondContact N-OE1 2.75Å; F123-E321 HydrophobicContact CD2-CG 3.86Å; F123-E321 WeakPolarHBondContact CD2-OE1 3.13Å; F123-E321 HydrophobicContact CE2-CG 3.74Å; L318-E321 HydrophobicContact CD2-CB 4.46Å; L318-E321 HydrophobicContact CD2-CG 4.24Å; L318-E321 PolarHBondContact O-N 3.31Å; E321-L323 PolarHBondContact O-N 2.94Å; E321-F374 HydrophobicContact CB-CD2 4.05Å; E321-F374 HydrophobicContact CB-CE2 3.83Å; E321-F374 HydrophobicContact CG-CE2 3.98Å; E321-F374 WeakPolarHBondContact OE2-CE2 3.4Å
322	Q	82	Confident	84.1	Confident	114 Å²	114	68.9 Å²	68.9	53%	0.533	35%	0.346	S	S	.	.			trans	-81.6	118.4	174	-63.2	-171.3	22.7	0	0	109.8	P373 F374	Q322-P373 HydrophobicContact CB-CB 4.13Å; Q322-P373 CarbonylContact O-C 3.49Å; Q322-P373 WeakPolarHBondContact O-CA 3.49Å; Q322-F374 PolarHBondContact O-N 3.18Å
323	L	84.6	Confident	84.1	Confident	60 Å²	60	62.5 Å²	62.5	31%	0.314	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-106.4	137.2	177.6	-57.6	-179.9	0	0	0	110.3	L318 E321 V327 L329 F374 F379	L318-L323 HydrophobicContact CB-CD1 4.28Å; L318-L323 HydrophobicContact CD1-CD1 4.37Å; L318-L323 HydrophobicContact CD1-CD2 4.34Å; L318-L323 HydrophobicContact CD2-CD2 4.47Å; E321-L323 PolarHBondContact O-N 2.94Å; L323-V327 HydrophobicContact CB-CB 4.27Å; L323-V327 HydrophobicContact CB-CG2 4.41Å; L323-V327 HydrophobicContact CD1-CG1 4.2Å; L323-V327 HydrophobicContact CD2-CG1 4.43Å; L323-L329 HydrophobicContact CD1-CD2 4.19Å; L323-F374 HydrophobicContact CD2-CB 4.01Å; L323-F374 HydrophobicContact CD2-CD2 4.1Å; L323-F379 HydrophobicContact CD2-CE2 4.33Å; L323-F379 HydrophobicContact CD2-CZ 4.33Å
324	H	87.5	Confident	84.3	Confident	68 Å²	68	63.1 Å²	63.1	32%	0.315	33%	0.327	S	S	.	.			trans	-74.3	149.3	175.4	-178.4	-87.3	0	0	0	108.9	D326 V327 P373 F374 R375	H324-D326 VanDerWaalsContact CB-OD1 3.32Å; H324-D326 WeakPolarHBondContact CB-OD1 3.3Å; H324-D326 IonicContact CE1-OD1 3.06Å; H324-D326 IonicContact CG-OD1 2.73Å; H324-D326 PolarHBondContact ND1-N 3.2Å; H324-D326 IonicContact ND1-OD1 3.3Å; H324-D326 PolarHBondContact ND1-OD1 2.71Å; H324-D326 IonicContact ND1-OD2 3.85Å; H324-D326 PolarHBondContact O-N 3.24Å; H324-V327 WeakPolarHBondContact O-CB 3.37Å; H324-V327 WeakPolarHBondContact O-CG2 3.47Å; H324-V327 PolarHBondContact O-N 2.71Å; H324-P373 HydrophobicContact CB-CB 4.04Å; H324-P373 HydrophobicContact CB-CG 4.1Å; H324-F374 VanDerWaalsContact CB-O 3.29Å; H324-F374 WeakPolarHBondContact CB-O 3.47Å; H324-F374 PolarHBondContact N-O 3.45Å; H324-R375 HydrophobicContact CB-CG 4.02Å
325	P	86.4	Confident	84	Confident	125 Å²	125	69.2 Å²	69.2	81%	0.812	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.9	-177.4	-27.3	35.2	0	0	0	116	V327	P325-V327 VanDerWaalsContact C-N 3.33Å
326	D	89.9	Confident	83.4	Confident	65 Å²	65	64.4 Å²	64.4	35%	0.348	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.7	175	74.3	-30.8	0	0	0	113.1	H324 N328 L376	H324-D326 VanDerWaalsContact CB-OD1 3.32Å; H324-D326 WeakPolarHBondContact CB-OD1 3.3Å; H324-D326 IonicContact CE1-OD1 3.06Å; H324-D326 IonicContact CG-OD1 2.73Å; H324-D326 PolarHBondContact ND1-N 3.2Å; H324-D326 IonicContact ND1-OD1 3.3Å; H324-D326 PolarHBondContact ND1-OD1 2.71Å; H324-D326 IonicContact ND1-OD2 3.85Å; H324-D326 PolarHBondContact O-N 3.24Å; D326-N328 PolarHBondContact O-N 3.19Å; D326-L376 PolarHBondContact OD1-N 3Å; D326-L376 WeakPolarHBondContact OD2-CB 3.31Å; D326-L376 PolarHBondContact OD2-N 3.32Å; D326-L376 VanDerWaalsContact OD2-N 3.14Å
327	V	87.2	Confident	82.6	Confident	21 Å²	21	64 Å²	64	13%	0.127	32%	0.319	C	S	.	.			trans	-77.4	106	-179.6	179.7	0	0	0	0	109.9	L323 H324 P325 L329 I332 F374 F379	L323-V327 HydrophobicContact CB-CB 4.27Å; L323-V327 HydrophobicContact CB-CG2 4.41Å; L323-V327 HydrophobicContact CD1-CG1 4.2Å; L323-V327 HydrophobicContact CD2-CG1 4.43Å; H324-V327 WeakPolarHBondContact O-CB 3.37Å; H324-V327 WeakPolarHBondContact O-CG2 3.47Å; H324-V327 PolarHBondContact O-N 2.71Å; P325-V327 VanDerWaalsContact C-N 3.33Å; V327-L329 HydrophobicContact CG1-CD2 4.03Å; V327-I332 HydrophobicContact CG1-CD1 3.85Å; V327-F374 WeakPolarHBondContact CG2-O 3.32Å; V327-F379 HydrophobicContact CG1-CD2 4.4Å; V327-F379 HydrophobicContact CG1-CE2 4.06Å; V327-F379 HydrophobicContact CG2-CD2 4.48Å; V327-F379 HydrophobicContact CG2-CE2 4.27Å
328	N	89.6	Confident	81.6	Confident	78 Å²	78	66.5 Å²	66.5	42%	0.417	33%	0.332	S	S	.	.			trans	-99.2	110	169.5	-173.9	-24.4	0	0	0	109.9	D326 D330 E331 I332	D326-N328 PolarHBondContact O-N 3.19Å; N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 3.41Å; N328-D330 WeakPolarHBondContact OD1-CB 3.37Å; N328-D330 PolarHBondContact OD1-N 3.22Å; N328-E331 HydrophobicContact CB-CB 3.91Å; N328-E331 WeakPolarHBondContact O-CB 3.42Å; N328-E331 PolarHBondContact O-N 3.03Å; N328-E331 PolarHBondContact OD1-N 2.99Å; N328-I332 PolarHBondContact O-N 3.49Å; N328-I332 VanDerWaalsContact O-N 3.14Å
329	L	89.1	Confident	80.6	Confident	29 Å²	29	67.5 Å²	67.5	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-31.4	-179.3	-63.3	-176.2	0	0	0	112.7	T311 L314 E315 L318 L323 V327 I332 A333	T311-L329 HydrophobicContact CG2-CB 4.12Å; L314-L329 HydrophobicContact CB-CD2 4.36Å; E315-L329 HydrophobicContact CB-CD1 4.44Å; E315-L329 HydrophobicContact CG-CD1 3.66Å; L318-L329 HydrophobicContact CD1-CD2 3.68Å; L323-L329 HydrophobicContact CD1-CD2 4.19Å; V327-L329 HydrophobicContact CG1-CD2 4.03Å; L329-I332 HydrophobicContact CD2-CD1 4.35Å; L329-I332 PolarHBondContact O-N 3.32Å; L329-A333 VanDerWaalsContact O-CB 3.26Å; L329-A333 WeakPolarHBondContact O-CB 3.21Å; L329-A333 PolarHBondContact O-N 3.43Å
330	D	87.2	Confident	79.4	Confident	80 Å²	80	60.6 Å²	60.6	43%	0.428	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-40.4	174.3	-64.2	-44	0	0	0	110.6	T311 N328 I332 A333 A334	T311-D330 WeakPolarHBondContact CB-OD1 3.41Å; T311-D330 WeakPolarHBondContact CG2-OD1 3.45Å; T311-D330 PolarHBondContact OG1-OD1 3.42Å; N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 3.41Å; N328-D330 WeakPolarHBondContact OD1-CB 3.37Å; N328-D330 PolarHBondContact OD1-N 3.22Å; D330-I332 VanDerWaalsContact C-N 3.29Å; D330-I332 PolarHBondContact O-N 3.19Å; D330-A333 PolarHBondContact O-N 3.19Å; D330-A334 VanDerWaalsContact O-CB 3.32Å; D330-A334 WeakPolarHBondContact O-CB 3.29Å; D330-A334 PolarHBondContact O-N 3.44Å
331	E	87	Confident	78.6	Confident	61 Å²	61	58 Å²	58	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-38.4	174.6	-172.6	-174.2	160	0	0	111.7	N328 R335 L376 K380	N328-E331 HydrophobicContact CB-CB 3.91Å; N328-E331 WeakPolarHBondContact O-CB 3.42Å; N328-E331 PolarHBondContact O-N 3.03Å; N328-E331 PolarHBondContact OD1-N 2.99Å; E331-R335 WeakPolarHBondContact O-CG 3.3Å; E331-R335 PolarHBondContact O-N 2.81Å; E331-R335 IonicContact OE1-CZ 2.7Å; E331-R335 IonicContact OE1-NE 2.62Å; E331-R335 IonicContact OE1-NH2 3.8Å; E331-R335 PolarHBondContact OE1-NH2 3.36Å; E331-L376 WeakPolarHBondContact OE2-CD2 3.42Å; E331-K380 WeakPolarHBondContact OE1-CE 3.45Å; E331-K380 IonicContact OE1-NZ 3.95Å; E331-K380 PolarHBondContact OE1-NZ 3.25Å
332	I	86.4	Confident	77.5	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-69.5	-48.2	176.5	-62.5	165.7	0	0	0	109.7	L314 V327 N328 L329 D330 A334 R335 C336 L347 L376 F379	L314-I332 HydrophobicContact CD1-CB 4.1Å; L314-I332 HydrophobicContact CD1-CG2 3.76Å; V327-I332 HydrophobicContact CG1-CD1 3.85Å; N328-I332 PolarHBondContact O-N 3.49Å; N328-I332 VanDerWaalsContact O-N 3.14Å; L329-I332 HydrophobicContact CD2-CD1 4.35Å; L329-I332 PolarHBondContact O-N 3.32Å; D330-I332 VanDerWaalsContact C-N 3.29Å; D330-I332 PolarHBondContact O-N 3.19Å; I332-A334 VanDerWaalsContact C-N 3.3Å; I332-A334 PolarHBondContact O-N 3.29Å; I332-R335 PolarHBondContact O-N 3.31Å; I332-C336 PolarHBondContact O-N 3.03Å; I332-C336 PolarHBondContact O-SG 3.01Å; I332-L347 HydrophobicContact CG2-CD2 3.82Å; I332-L376 HydrophobicContact CD1-CD1 4.19Å; I332-L376 HydrophobicContact CG1-CD1 3.95Å; I332-F379 HydrophobicContact CD1-CB 3.85Å; I332-F379 HydrophobicContact CD1-CD1 3.81Å; I332-F379 HydrophobicContact CD1-CD2 3.73Å; I332-F379 HydrophobicContact CD1-CE1 4.28Å; I332-F379 HydrophobicContact CD1-CE2 4.21Å; I332-F379 HydrophobicContact CD1-CG 3.51Å; I332-F379 HydrophobicContact CD1-CZ 4.47Å; I332-F379 HydrophobicContact CG1-CB 4.16Å; I332-F379 HydrophobicContact CG1-CG 4.33Å; I332-F379 HydrophobicContact CG2-CD1 4.44Å
333	A	83	Confident	76.8	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-38.2	179.4	0	0	0	0	0	112.9	E307 R310 T311 L314 L329 D330 R335 C336	E307-A333 HydrophobicContact CG-CB 4.1Å; R310-A333 HydrophobicContact CB-CB 3.85Å; R310-A333 PolarHBondContact NE-O 3.16Å; T311-A333 WeakPolarHBondContact OG1-CB 3.33Å; L314-A333 HydrophobicContact CD1-CB 4.14Å; L329-A333 VanDerWaalsContact O-CB 3.26Å; L329-A333 WeakPolarHBondContact O-CB 3.21Å; L329-A333 PolarHBondContact O-N 3.43Å; D330-A333 PolarHBondContact O-N 3.19Å; A333-R335 VanDerWaalsContact C-N 3.27Å; A333-R335 PolarHBondContact O-N 3.13Å; A333-C336 PolarHBondContact O-N 2.92Å
334	A	81.2	Confident	76.3	Confident	38 Å²	38	55.2 Å²	55.2	31%	0.314	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-32.3	175.6	0	0	0	0	0	112.5	E307 D330 I332	E307-A334 HydrophobicContact CG-CB 4.47Å; D330-A334 VanDerWaalsContact O-CB 3.32Å; D330-A334 WeakPolarHBondContact O-CB 3.29Å; D330-A334 PolarHBondContact O-N 3.44Å; I332-A334 VanDerWaalsContact C-N 3.3Å; I332-A334 PolarHBondContact O-N 3.29Å
335	R	79.4	Confident	75.5	Confident	128 Å²	128	54.2 Å²	54.2	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-85.5	-9.5	178.4	-64.8	173.3	-173.4	-129	3.1	114	E331 I332 A333 L383	E331-R335 WeakPolarHBondContact O-CG 3.3Å; E331-R335 PolarHBondContact O-N 2.81Å; E331-R335 IonicContact OE1-CZ 2.7Å; E331-R335 IonicContact OE1-NE 2.62Å; E331-R335 IonicContact OE1-NH2 3.8Å; E331-R335 PolarHBondContact OE1-NH2 3.36Å; I332-R335 PolarHBondContact O-N 3.31Å; A333-R335 VanDerWaalsContact C-N 3.27Å; A333-R335 PolarHBondContact O-N 3.13Å; R335-L383 HydrophobicContact CB-CD1 3.81Å; R335-L383 HydrophobicContact CG-CD1 4.48Å
336	C	72.1	Confident	74.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.			trans	-102.2	38.1	-177.1	-59.8	0	0	0	0	112.1	R310 I332 A333 L338 F339 L344 L347	R310-C336 WeakPolarHBondContact CD-O 3.38Å; R310-C336 PolarHBondContact NE-O 3Å; I332-C336 PolarHBondContact O-N 3.03Å; I332-C336 PolarHBondContact O-SG 3.01Å; A333-C336 PolarHBondContact O-N 2.92Å; C336-L338 PolarHBondContact O-N 3.01Å; C336-F339 HydrophobicContact CB-CB 3.96Å; C336-F339 HydrophobicContact CB-CD1 4.31Å; C336-F339 HydrophobicContact CB-CD2 3.85Å; C336-F339 HydrophobicContact CB-CE2 4.44Å; C336-F339 HydrophobicContact CB-CG 3.77Å; C336-F339 WeakPolarHBondContact O-CB 3.38Å; C336-F339 PolarHBondContact O-N 3.19Å; C336-F339 VanDerWaalsContact O-N 3.12Å; C336-L344 HydrophobicContact CB-CD2 3.67Å; C336-L347 WeakPolarHBondContact SG-CD2 3.42Å
337	Q	61.5	Low	74.4	Confident	85 Å²	85	48.5 Å²	48.5	40%	0.397	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	134.3	178.1	-68.4	-172.5	-23	0	0	110	F339 D397	Q337-F339 PolarHBondContact O-N 3.13Å; Q337-D397 PolarHBondContact NE2-OD2 3.15Å
338	L	57.1	Low	74.1	Confident	100 Å²	100	47.6 Å²	47.6	52%	0.524	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	3.1	-177.6	-53.5	168	0	0	0	116.6	C336 S340 C395	C336-L338 PolarHBondContact O-N 3.01Å; L338-S340 PolarHBondContact O-N 3.03Å; L338-C395 HydrophobicContact CD1-CB 3.23Å
339	F	62.4	Low	73.6	Confident	27 Å²	27	46.4 Å²	46.4	12%	0.118	25%	0.249	C	C	.	.			trans	-65.8	126	174.3	-80.8	34	0	0	0	109.4	C336 Q337 D343 L344 L383 M386	C336-F339 HydrophobicContact CB-CB 3.96Å; C336-F339 HydrophobicContact CB-CD1 4.31Å; C336-F339 HydrophobicContact CB-CD2 3.85Å; C336-F339 HydrophobicContact CB-CE2 4.44Å; C336-F339 HydrophobicContact CB-CG 3.77Å; C336-F339 WeakPolarHBondContact O-CB 3.38Å; C336-F339 PolarHBondContact O-N 3.19Å; C336-F339 VanDerWaalsContact O-N 3.12Å; Q337-F339 PolarHBondContact O-N 3.13Å; F339-D343 HydrophobicContact CB-CB 3.73Å; F339-D343 HydrophobicContact CD1-CB 4.5Å; F339-D343 HydrophobicContact CD2-CB 3.63Å; F339-D343 HydrophobicContact CE2-CB 4.35Å; F339-D343 HydrophobicContact CG-CB 3.71Å; F339-L344 HydrophobicContact CB-CD2 3.95Å; F339-L344 HydrophobicContact CB-CG 4.04Å; F339-L344 HydrophobicContact CD2-CD2 4.18Å; F339-L383 HydrophobicContact CE2-CD2 4.36Å; F339-L383 HydrophobicContact CZ-CD2 4.38Å; F339-M386 HydrophobicContact CD2-CE 4.25Å; F339-M386 HydrophobicContact CE2-CE 3.49Å; F339-M386 VanDerWaalsContact CE2-CE 3.49Å; F339-M386 HydrophobicContact CE2-SD 3.91Å; F339-M386 HydrophobicContact CZ-CE 3.99Å; F339-M386 HydrophobicContact CZ-SD 4.46Å
340	S	56.7	Low	73	Confident	43 Å²	43	46.1 Å²	46.1	30%	0.301	25%	0.247	S	C	.	.			trans	-68.9	168.9	167.8	67.3	0	0	0	0	110.8	L338 S342 D343 L344	L338-S340 PolarHBondContact O-N 3.03Å; S340-S342 PolarHBondContact O-N 2.86Å; S340-S342 PolarHBondContact OG-N 2.99Å; S340-S342 PolarHBondContact OG-OG 3.47Å; S340-D343 VanDerWaalsContact CB-OD2 3.29Å; S340-D343 WeakPolarHBondContact CB-OD2 3.47Å; S340-D343 PolarHBondContact N-OD2 3.24Å; S340-D343 PolarHBondContact O-N 2.76Å; S340-D343 PolarHBondContact OG-N 3.16Å; S340-D343 PolarHBondContact OG-OD2 3.26Å; S340-L344 PolarHBondContact O-N 2.95Å
341	C	59	Low	72.9	Confident	66 Å²	66	42.3 Å²	42.3	45%	0.446	23%	0.227	S	C	.	.	H	α-helix	trans	-56	-33.1	172.1	-65.9	0	0	0	0	112.4	S345	C341-S345 WeakPolarHBondContact O-CB 3.18Å; C341-S345 PolarHBondContact O-N 3.36Å
342	S	58	Low	72.6	Confident	81 Å²	81	39.4 Å²	39.4	57%	0.566	21%	0.214	S	C	*	.	H	α-helix	trans	-69.3	-40.6	175.1	32	0	0	0	0	112.3	S340 L344 S345 E346	S340-S342 PolarHBondContact O-N 2.86Å; S340-S342 PolarHBondContact OG-N 2.99Å; S340-S342 PolarHBondContact OG-OG 3.47Å; S342-L344 VanDerWaalsContact C-N 3.34Å; S342-S345 PolarHBondContact O-N 3.15Å; S342-E346 WeakPolarHBondContact O-CB 3.42Å; S342-E346 PolarHBondContact O-N 2.77Å
343	D	67.2	Low	72.1	Confident	62 Å²	62	39.4 Å²	39.4	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-66.7	-39.6	178.4	-54.8	-42.2	0	0	0	110.7	F339 S340 E346 L347 M386	F339-D343 HydrophobicContact CB-CB 3.73Å; F339-D343 HydrophobicContact CD1-CB 4.5Å; F339-D343 HydrophobicContact CD2-CB 3.63Å; F339-D343 HydrophobicContact CE2-CB 4.35Å; F339-D343 HydrophobicContact CG-CB 3.71Å; S340-D343 VanDerWaalsContact CB-OD2 3.29Å; S340-D343 WeakPolarHBondContact CB-OD2 3.47Å; S340-D343 PolarHBondContact N-OD2 3.24Å; S340-D343 PolarHBondContact O-N 2.76Å; S340-D343 PolarHBondContact OG-N 3.16Å; S340-D343 PolarHBondContact OG-OD2 3.26Å; D343-E346 PolarHBondContact O-N 3.29Å; D343-L347 WeakPolarHBondContact O-CB 3.23Å; D343-L347 PolarHBondContact O-N 3.36Å; D343-M386 HydrophobicContact CB-CE 4.38Å
344	L	74.6	Confident	71.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-39.6	173.1	-66.8	176	0	0	0	112.2	I304 R310 V313 L314 L317 C336 F339 S340 S342 L347 C348	I304-L344 HydrophobicContact CD1-CD1 3.65Å; R310-L344 HydrophobicContact CB-CD1 4.22Å; R310-L344 HydrophobicContact CG-CD1 4.2Å; V313-L344 HydrophobicContact CB-CD1 3.92Å; V313-L344 HydrophobicContact CG1-CB 4.38Å; V313-L344 HydrophobicContact CG1-CD1 3.66Å; L314-L344 HydrophobicContact CD2-CB 4.42Å; L314-L344 HydrophobicContact CD2-CD2 4.18Å; L314-L344 HydrophobicContact CG-CD2 4.37Å; L317-L344 HydrophobicContact CD1-CB 3.97Å; C336-L344 HydrophobicContact CB-CD2 3.67Å; F339-L344 HydrophobicContact CB-CD2 3.95Å; F339-L344 HydrophobicContact CB-CG 4.04Å; F339-L344 HydrophobicContact CD2-CD2 4.18Å; S340-L344 PolarHBondContact O-N 2.95Å; S342-L344 VanDerWaalsContact C-N 3.34Å; L344-L347 WeakPolarHBondContact O-CB 3.38Å; L344-L347 PolarHBondContact O-N 2.71Å; L344-C348 PolarHBondContact O-N 3.43Å; L344-C348 VanDerWaalsContact O-N 3.07Å; L344-C348 PolarHBondContact O-SG 2.92Å; L344-C348 VanDerWaalsContact O-SG 3.32Å
345	S	70.4	Confident	72	Confident	48 Å²	48	38.2 Å²	38.2	34%	0.336	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-40.1	175.1	-172.7	0	0	0	0	111.9	C341 S342 C348 R349	C341-S345 WeakPolarHBondContact O-CB 3.18Å; C341-S345 PolarHBondContact O-N 3.36Å; S342-S345 PolarHBondContact O-N 3.15Å; S345-C348 PolarHBondContact O-N 2.97Å; S345-R349 PolarHBondContact O-N 3.12Å
346	E	72.1	Confident	71.9	Confident	69 Å²	69	32.2 Å²	32.2	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-70.3	-35.7	177.2	-175.4	58.4	-165.1	0	0	111.7	S342 D343 R349 L350 M386	S342-E346 WeakPolarHBondContact O-CB 3.42Å; S342-E346 PolarHBondContact O-N 2.77Å; D343-E346 PolarHBondContact O-N 3.29Å; E346-R349 VanDerWaalsContact CD-NE 3.28Å; E346-R349 WeakPolarHBondContact O-CB 3.33Å; E346-R349 PolarHBondContact O-N 3.41Å; E346-R349 IonicContact OE1-CZ 3.53Å; E346-R349 VanDerWaalsContact OE1-CZ 3.24Å; E346-R349 IonicContact OE1-NE 2.77Å; E346-R349 PolarHBondContact OE1-NE 2.95Å; E346-R349 IonicContact OE1-NH2 2.92Å; E346-R349 PolarHBondContact OE1-NH2 3.34Å; E346-R349 WeakPolarHBondContact OE2-CD 3.41Å; E346-R349 IonicContact OE2-CZ 3.99Å; E346-R349 IonicContact OE2-NE 3.56Å; E346-R349 PolarHBondContact OE2-NE 3.03Å; E346-L350 HydrophobicContact CG-CD1 4.23Å; E346-L350 HydrophobicContact CG-CG 4.47Å; E346-L350 WeakPolarHBondContact O-CB 3.21Å; E346-L350 WeakPolarHBondContact O-CG 3.33Å; E346-L350 PolarHBondContact O-N 2.64Å; E346-M386 HydrophobicContact CB-CE 4.48Å
347	L	81	Confident	72	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-50.2	171.2	174.2	65.8	0	0	0	111.4	I332 C336 D343 L344 R349 L350 A351 A382 L383 M386	I332-L347 HydrophobicContact CG2-CD2 3.82Å; C336-L347 WeakPolarHBondContact SG-CD2 3.42Å; D343-L347 WeakPolarHBondContact O-CB 3.23Å; D343-L347 PolarHBondContact O-N 3.36Å; L344-L347 WeakPolarHBondContact O-CB 3.38Å; L344-L347 PolarHBondContact O-N 2.71Å; L347-R349 VanDerWaalsContact C-N 3.27Å; L347-R349 PolarHBondContact O-N 2.92Å; L347-L350 PolarHBondContact O-N 3.1Å; L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 2.91Å; L347-A382 HydrophobicContact CD1-CB 3.69Å; L347-L383 HydrophobicContact CD1-CB 4.41Å; L347-L383 HydrophobicContact CD1-CD2 3.93Å; L347-L383 HydrophobicContact CD1-CG 3.69Å; L347-L383 HydrophobicContact CD2-CD2 4.19Å; L347-L383 HydrophobicContact CD2-CG 4.38Å; L347-M386 VanDerWaalsContact CA-SD 3.52Å; L347-M386 HydrophobicContact CB-CE 4.43Å; L347-M386 HydrophobicContact CB-SD 3.65Å; L347-M386 HydrophobicContact CD1-SD 3.79Å; L347-M386 HydrophobicContact CG-SD 4.34Å
348	C	82	Confident	72.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-60.4	-38.6	176.5	-66.4	0	0	0	0	111.5	F123 L318 L344 S345 A351 A352	F123-C348 HydrophobicContact CD1-CB 3.64Å; F123-C348 HydrophobicContact CD2-CB 4.4Å; F123-C348 HydrophobicContact CE1-CB 3.3Å; F123-C348 HydrophobicContact CE2-CB 4.11Å; F123-C348 HydrophobicContact CG-CB 4.19Å; F123-C348 HydrophobicContact CZ-CB 3.57Å; L318-C348 HydrophobicContact CD2-CB 4.14Å; L344-C348 PolarHBondContact O-N 3.43Å; L344-C348 VanDerWaalsContact O-N 3.07Å; L344-C348 PolarHBondContact O-SG 2.92Å; L344-C348 VanDerWaalsContact O-SG 3.32Å; S345-C348 PolarHBondContact O-N 2.97Å; C348-A351 PolarHBondContact O-N 2.9Å; C348-A352 PolarHBondContact O-N 2.96Å
349	R	79.1	Confident	73.7	Confident	54 Å²	54	31.2 Å²	31.2	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-50.2	174.9	-162	-163.1	68.7	80.5	-1.8	112.6	F123 S345 E346 L347 A351 A352 V353	F123-R349 HydrophobicContact CD1-CB 4.33Å; F123-R349 WeakPolarHBondContact O-CG 3.34Å; S345-R349 PolarHBondContact O-N 3.12Å; E346-R349 VanDerWaalsContact CD-NE 3.28Å; E346-R349 WeakPolarHBondContact O-CB 3.33Å; E346-R349 PolarHBondContact O-N 3.41Å; E346-R349 IonicContact OE1-CZ 3.53Å; E346-R349 VanDerWaalsContact OE1-CZ 3.24Å; E346-R349 IonicContact OE1-NE 2.77Å; E346-R349 PolarHBondContact OE1-NE 2.95Å; E346-R349 IonicContact OE1-NH2 2.92Å; E346-R349 PolarHBondContact OE1-NH2 3.34Å; E346-R349 WeakPolarHBondContact OE2-CD 3.41Å; E346-R349 IonicContact OE2-CZ 3.99Å; E346-R349 IonicContact OE2-NE 3.56Å; E346-R349 PolarHBondContact OE2-NE 3.03Å; L347-R349 VanDerWaalsContact C-N 3.27Å; L347-R349 PolarHBondContact O-N 2.92Å; R349-A351 VanDerWaalsContact C-N 3.31Å; R349-A351 PolarHBondContact O-N 3.31Å; R349-A352 PolarHBondContact O-N 3.12Å; R349-V353 WeakPolarHBondContact O-CG2 3.34Å; R349-V353 PolarHBondContact O-N 3.04Å
350	L	76.4	Confident	74.3	Confident	22 Å²	22	32.8 Å²	32.8	12%	0.115	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-32.8	179.2	-72.9	173.6	0	0	0	112.3	E346 L347 S354 A382 M386	E346-L350 HydrophobicContact CG-CD1 4.23Å; E346-L350 HydrophobicContact CG-CG 4.47Å; E346-L350 WeakPolarHBondContact O-CB 3.21Å; E346-L350 WeakPolarHBondContact O-CG 3.33Å; E346-L350 PolarHBondContact O-N 2.64Å; L347-L350 PolarHBondContact O-N 3.1Å; L350-S354 VanDerWaalsContact O-CB 3.3Å; L350-S354 WeakPolarHBondContact O-CB 3.2Å; L350-S354 PolarHBondContact O-N 3.21Å; L350-S354 PolarHBondContact O-OG 3.33Å; L350-A382 HydrophobicContact CB-CB 3.69Å; L350-M386 HydrophobicContact CD1-CG 3.43Å; L350-M386 VanDerWaalsContact CD1-CG 3.43Å; L350-M386 HydrophobicContact CD1-SD 3.94Å
351	A	84.4	Confident	75.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-45.5	173.1	0	0	0	0	0	110	L347 C348 R349 V353 S354 H355 D378 F379 A382	L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 2.91Å; C348-A351 PolarHBondContact O-N 2.9Å; R349-A351 VanDerWaalsContact C-N 3.31Å; R349-A351 PolarHBondContact O-N 3.31Å; A351-V353 PolarHBondContact O-N 3.16Å; A351-S354 PolarHBondContact O-N 3.4Å; A351-H355 WeakPolarHBondContact O-CB 3.39Å; A351-H355 PolarHBondContact O-N 2.79Å; A351-D378 HydrophobicContact CB-CB 4.41Å; A351-F379 HydrophobicContact CB-CD1 3.63Å; A351-F379 HydrophobicContact CB-CD2 4.46Å; A351-F379 HydrophobicContact CB-CE1 3.82Å; A351-F379 HydrophobicContact CB-CG 3.98Å; A351-F379 HydrophobicContact CB-CZ 4.32Å; A351-A382 HydrophobicContact CB-CB 3.95Å; A351-A382 VanDerWaalsContact N-CB 3.33Å
352	A	81.1	Confident	75.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-43.2	177.5	0	0	0	0	0	112.9	F123 L124 C348 R349 H355 V356 F374	F123-A352 HydrophobicContact CB-CB 3.64Å; L124-A352 HydrophobicContact CD1-CB 4.48Å; L124-A352 HydrophobicContact CD2-CB 3.84Å; L124-A352 HydrophobicContact CG-CB 3.88Å; C348-A352 PolarHBondContact O-N 2.96Å; R349-A352 PolarHBondContact O-N 3.12Å; A352-H355 WeakPolarHBondContact O-CB 2.95Å; A352-H355 PolarHBondContact O-N 3.12Å; A352-V356 PolarHBondContact O-N 2.87Å; A352-F374 VanDerWaalsContact CA-CE1 3.43Å; A352-F374 HydrophobicContact CB-CE1 3.66Å; A352-F374 HydrophobicContact CB-CZ 3.54Å
353	V	76.2	Confident	76.6	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-43.8	175.1	173.3	0	0	0	0	111.4	E109 L113 L124 R349 A351 H355 V356 Q357	E109-V353 HydrophobicContact CB-CG1 4.35Å; L113-V353 HydrophobicContact CD2-CG1 4.28Å; L124-V353 HydrophobicContact CD2-CG2 4.25Å; R349-V353 WeakPolarHBondContact O-CG2 3.34Å; R349-V353 PolarHBondContact O-N 3.04Å; A351-V353 PolarHBondContact O-N 3.16Å; V353-H355 VanDerWaalsContact C-N 3.31Å; V353-H355 PolarHBondContact O-N 3.49Å; V353-V356 PolarHBondContact O-N 3.45Å; V353-Q357 HydrophobicContact CG1-CG 4.45Å; V353-Q357 WeakPolarHBondContact O-CG 3.37Å; V353-Q357 PolarHBondContact O-N 3.05Å
354	S	78.3	Confident	76.6	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-40.5	179.3	-61	0	0	0	0	111.6	L350 A351 Q357 E358	L350-S354 VanDerWaalsContact O-CB 3.3Å; L350-S354 WeakPolarHBondContact O-CB 3.2Å; L350-S354 PolarHBondContact O-N 3.21Å; L350-S354 PolarHBondContact O-OG 3.33Å; A351-S354 PolarHBondContact O-N 3.4Å; S354-Q357 PolarHBondContact O-N 3.03Å; S354-E358 PolarHBondContact O-N 2.9Å
355	H	82.8	Confident	76.2	Confident	9 Å²	9	42.2 Å²	42.2	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-51.7	175.8	-175.3	73.9	0	0	0	111.8	A351 A352 V353 Q357 E358 L359 Q372 P373 F374 D378	A351-H355 WeakPolarHBondContact O-CB 3.39Å; A351-H355 PolarHBondContact O-N 2.79Å; A352-H355 WeakPolarHBondContact O-CB 2.95Å; A352-H355 PolarHBondContact O-N 3.12Å; V353-H355 VanDerWaalsContact C-N 3.31Å; V353-H355 PolarHBondContact O-N 3.49Å; H355-Q357 VanDerWaalsContact C-N 3.31Å; H355-Q357 PolarHBondContact O-N 3.35Å; H355-E358 PolarHBondContact O-N 3.21Å; H355-L359 WeakPolarHBondContact NE2-CD1 3.36Å; H355-L359 WeakPolarHBondContact O-CG 3.48Å; H355-L359 PolarHBondContact O-N 3.46Å; H355-Q372 WeakPolarHBondContact NE2-CB 3.48Å; H355-Q372 PolarHBondContact NE2-O 3.43Å; H355-P373 PolarHBondContact CE1-O 2.87Å; H355-P373 VanDerWaalsContact CE1-O 3.25Å; H355-F374 HydrophobicContact CB-CD1 3.78Å; H355-F374 HydrophobicContact CB-CE1 3.98Å; H355-F374 AromaticContact CG-CD1 3.78Å; H355-D378 WeakPolarHBondContact CA-OD1 3.15Å; H355-D378 HydrophobicContact CB-CB 4.15Å; H355-D378 IonicContact CE1-OD2 3.63Å; H355-D378 IonicContact CG-OD2 2.93Å; H355-D378 IonicContact ND1-OD1 3.87Å; H355-D378 IonicContact ND1-OD2 3.02Å; H355-D378 PolarHBondContact ND1-OD2 3.28Å
356	V	77.1	Confident	75.9	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-42.5	178.6	168.5	0	0	0	0	111.3	L113 L117 L124 A352 V353 E358 L359 L360 L369	L113-V356 HydrophobicContact CD1-CG1 4.13Å; L113-V356 HydrophobicContact CD2-CG1 4.23Å; L117-V356 HydrophobicContact CD1-CG1 3.92Å; L117-V356 HydrophobicContact CD1-CG2 4.16Å; L117-V356 HydrophobicContact CD2-CG1 3.99Å; L124-V356 HydrophobicContact CD1-CG2 3.68Å; L124-V356 HydrophobicContact CD2-CG2 4.05Å; A352-V356 PolarHBondContact O-N 2.87Å; V353-V356 PolarHBondContact O-N 3.45Å; V356-E358 VanDerWaalsContact C-N 3.33Å; V356-E358 PolarHBondContact O-N 3.2Å; V356-L359 PolarHBondContact O-N 3.02Å; V356-L360 HydrophobicContact CG1-CD1 3.77Å; V356-L360 HydrophobicContact CG1-CG 4.24Å; V356-L360 WeakPolarHBondContact O-CB 3.34Å; V356-L360 VanDerWaalsContact O-CG 3.29Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 2.83Å; V356-L369 HydrophobicContact CG1-CD1 3.68Å; V356-L369 HydrophobicContact CG1-CD2 4.47Å
357	Q	74.5	Confident	75.6	Confident	30 Å²	30	45.1 Å²	45.1	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-40.7	178.1	-74.9	-175.5	-21	0	0	112.7	E109 V353 S354 H355 L360 R361	E109-Q357 PolarHBondContact OE1-NE2 2.85Å; V353-Q357 HydrophobicContact CG1-CG 4.45Å; V353-Q357 WeakPolarHBondContact O-CG 3.37Å; V353-Q357 PolarHBondContact O-N 3.05Å; S354-Q357 PolarHBondContact O-N 3.03Å; H355-Q357 VanDerWaalsContact C-N 3.31Å; H355-Q357 PolarHBondContact O-N 3.35Å; Q357-L360 PolarHBondContact O-N 2.88Å; Q357-R361 VanDerWaalsContact O-CG 3.31Å; Q357-R361 WeakPolarHBondContact O-CG 3.35Å; Q357-R361 PolarHBondContact O-N 3.08Å
358	E	78.5	Confident	74.7	Confident	105 Å²	105	51.2 Å²	51.2	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-68.7	-39.4	179.5	-164.3	63.7	-170.3	0	0	111.5	S354 H355 V356 R361 S362	S354-E358 PolarHBondContact O-N 2.9Å; H355-E358 PolarHBondContact O-N 3.21Å; V356-E358 VanDerWaalsContact C-N 3.33Å; V356-E358 PolarHBondContact O-N 3.2Å; E358-R361 WeakPolarHBondContact O-CB 2.97Å; E358-R361 PolarHBondContact O-N 3.46Å; E358-R361 IonicContact OE2-NH1 3.24Å; E358-R361 PolarHBondContact OE2-NH1 2.85Å; E358-R361 VanDerWaalsContact OE2-NH1 3.08Å; E358-S362 PolarHBondContact O-N 2.89Å
359	L	76.5	Confident	73.9	Confident	29 Å²	29	51.6 Å²	51.6	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-45.8	172.3	-70.5	177.1	0	0	0	111.9	H355 V356 R361 S362 G363 A364 L369 Q372	H355-L359 WeakPolarHBondContact NE2-CD1 3.36Å; H355-L359 WeakPolarHBondContact O-CG 3.48Å; H355-L359 PolarHBondContact O-N 3.46Å; V356-L359 PolarHBondContact O-N 3.02Å; L359-R361 VanDerWaalsContact C-N 3.27Å; L359-R361 PolarHBondContact O-N 3.08Å; L359-S362 PolarHBondContact O-N 3.08Å; L359-S362 PolarHBondContact O-OG 3.1Å; L359-G363 PolarHBondContact O-N 3.29Å; L359-A364 HydrophobicContact CB-CB 4.18Å; L359-A364 VanDerWaalsContact O-CB 3.28Å; L359-A364 WeakPolarHBondContact O-CB 3.03Å; L359-A364 PolarHBondContact O-N 3.03Å; L359-A364 VanDerWaalsContact O-N 3.13Å; L359-L369 HydrophobicContact CB-CD2 3.28Å; L359-L369 HydrophobicContact CD1-CD2 3.55Å; L359-L369 HydrophobicContact CG-CD2 4.07Å; L359-Q372 HydrophobicContact CD1-CB 3.83Å; L359-Q372 HydrophobicContact CD1-CG 3.94Å; L359-Q372 HydrophobicContact CD2-CG 4.35Å
360	L	73.5	Confident	72.8	Confident	61 Å²	61	51.4 Å²	51.4	32%	0.319	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-37.6	175.4	-73.6	171.4	0	0	0	111.9	L113 V356 Q357 S362 G363 I366 L369	L113-L360 HydrophobicContact CD1-CD1 3.99Å; V356-L360 HydrophobicContact CG1-CD1 3.77Å; V356-L360 HydrophobicContact CG1-CG 4.24Å; V356-L360 WeakPolarHBondContact O-CB 3.34Å; V356-L360 VanDerWaalsContact O-CG 3.29Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 2.83Å; Q357-L360 PolarHBondContact O-N 2.88Å; L360-S362 VanDerWaalsContact C-N 3.34Å; L360-G363 PolarHBondContact O-N 3.42Å; L360-I366 HydrophobicContact CD2-CG1 3.8Å; L360-L369 HydrophobicContact CD2-CD1 4.02Å; L360-L369 HydrophobicContact CG-CD1 4.12Å; L360-L369 HydrophobicContact CG-CD2 4.47Å
361	R	76.1	Confident	72.3	Confident	178 Å²	178	55.8 Å²	55.8	67%	0.672	30%	0.302	S	S	*	.	H	α-helix	trans	-66.7	-32.7	173.8	-76.2	174.6	-174.4	161.8	0.5	113.3	Q357 E358 L359 G363	Q357-R361 VanDerWaalsContact O-CG 3.31Å; Q357-R361 WeakPolarHBondContact O-CG 3.35Å; Q357-R361 PolarHBondContact O-N 3.08Å; E358-R361 WeakPolarHBondContact O-CB 2.97Å; E358-R361 PolarHBondContact O-N 3.46Å; E358-R361 IonicContact OE2-NH1 3.24Å; E358-R361 PolarHBondContact OE2-NH1 2.85Å; E358-R361 VanDerWaalsContact OE2-NH1 3.08Å; L359-R361 VanDerWaalsContact C-N 3.27Å; L359-R361 PolarHBondContact O-N 3.08Å; R361-G363 PolarHBondContact O-N 2.96Å
362	S	74.1	Confident	71.7	Confident	91 Å²	91	60.1 Å²	60.1	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-4.5	174.7	75.7	0	0	0	0	113.6	E358 L359 L360	E358-S362 PolarHBondContact O-N 2.89Å; L359-S362 PolarHBondContact O-N 3.08Å; L359-S362 PolarHBondContact O-OG 3.1Å; L360-S362 VanDerWaalsContact C-N 3.34Å
363	G	72.5	Confident	71.7	Confident	66 Å²	66	61.6 Å²	61.6	68%	0.68	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	9.8	179.9	0	0	0	0	0	114.3	L359 L360 R361	L359-G363 PolarHBondContact O-N 3.29Å; L360-G363 PolarHBondContact O-N 3.42Å; R361-G363 PolarHBondContact O-N 2.96Å
364	A	67.5	Low	71.9	Confident	22 Å²	22	62 Å²	62	18%	0.182	33%	0.333	C	S	.	.			trans	-63.6	140.2	175.6	0	0	0	0	0	110.6	L359 L369	L359-A364 HydrophobicContact CB-CB 4.18Å; L359-A364 VanDerWaalsContact O-CB 3.28Å; L359-A364 WeakPolarHBondContact O-CB 3.03Å; L359-A364 PolarHBondContact O-N 3.03Å; L359-A364 VanDerWaalsContact O-N 3.13Å; A364-L369 HydrophobicContact CB-CD2 4.33Å
365	N	66.8	Low	72.3	Confident	93 Å²	93	67.7 Å²	67.7	50%	0.497	35%	0.354	S	S	.	.			trans	-75.8	150.7	174.9	-164.7	-7.1	0	0	0	110.1	D367 E368	N365-D367 PolarHBondContact O-N 3.42Å; N365-D367 VanDerWaalsContact O-N 3.1Å; N365-E368 HydrophobicContact CB-CG 4.27Å; N365-E368 PolarHBondContact N-OE2 3.44Å; N365-E368 WeakPolarHBondContact O-CB 3.35Å; N365-E368 PolarHBondContact O-N 3.21Å
366	I	64	Low	72.5	Confident	57 Å²	57	68 Å²	68	29%	0.292	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-54.5	-34.4	-179.3	-72.1	173.4	0	0	0	111.6	L117 L360 E368 L369	L117-I366 HydrophobicContact CD2-CG2 4.12Å; L360-I366 HydrophobicContact CD2-CG1 3.8Å; I366-E368 VanDerWaalsContact C-N 3.29Å; I366-E368 PolarHBondContact O-N 3.35Å; I366-L369 HydrophobicContact CB-CD1 4.38Å; I366-L369 HydrophobicContact CG1-CD1 4.41Å; I366-L369 WeakPolarHBondContact O-CB 3.16Å; I366-L369 PolarHBondContact O-N 2.98Å
367	D	64.3	Low	73	Confident	121 Å²	121	70.5 Å²	70.5	65%	0.647	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-69.6	-22.3	179.3	-63.6	-41.5	0	0	0	113.6	N365	N365-D367 PolarHBondContact O-N 3.42Å; N365-D367 VanDerWaalsContact O-N 3.1Å
368	E	63.5	Low	73.6	Confident	128 Å²	128	69.5 Å²	69.5	60%	0.598	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-88.3	-7.8	-178.2	-63.5	174.9	163.2	0	0	113.1	N365 I366 N370	N365-E368 HydrophobicContact CB-CG 4.27Å; N365-E368 PolarHBondContact N-OE2 3.44Å; N365-E368 WeakPolarHBondContact O-CB 3.35Å; N365-E368 PolarHBondContact O-N 3.21Å; I366-E368 VanDerWaalsContact C-N 3.29Å; I366-E368 PolarHBondContact O-N 3.35Å; E368-N370 VanDerWaalsContact C-N 3.29Å; E368-N370 PolarHBondContact O-N 3.19Å
369	L	64.9	Low	74.1	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.052	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-74.7	-16	-172.5	-64.6	171.7	0	0	0	114.2	L117 V356 L359 L360 A364 I366 D371	L117-L369 HydrophobicContact CD2-CB 4.42Å; L117-L369 HydrophobicContact CD2-CD1 3.34Å; V356-L369 HydrophobicContact CG1-CD1 3.68Å; V356-L369 HydrophobicContact CG1-CD2 4.47Å; L359-L369 HydrophobicContact CB-CD2 3.28Å; L359-L369 HydrophobicContact CD1-CD2 3.55Å; L359-L369 HydrophobicContact CG-CD2 4.07Å; L360-L369 HydrophobicContact CD2-CD1 4.02Å; L360-L369 HydrophobicContact CG-CD1 4.12Å; L360-L369 HydrophobicContact CG-CD2 4.47Å; A364-L369 HydrophobicContact CB-CD2 4.33Å; I366-L369 HydrophobicContact CB-CD1 4.38Å; I366-L369 HydrophobicContact CG1-CD1 4.41Å; I366-L369 WeakPolarHBondContact O-CB 3.16Å; I366-L369 PolarHBondContact O-N 2.98Å; L369-D371 VanDerWaalsContact C-N 3.32Å; L369-D371 PolarHBondContact O-N 3Å
370	N	56.7	Low	74.5	Confident	49 Å²	49	67.1 Å²	67.1	26%	0.262	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-76.9	-9.5	-163.5	-82	-21.9	0	0	0	116	R118 S119 E368	R118-N370 VanDerWaalsContact O-CG 3.27Å; R118-N370 PolarHBondContact O-ND2 3.17Å; R118-N370 PolarHBondContact O-OD1 3.42Å; R118-N370 VanDerWaalsContact O-OD1 3.13Å; S119-N370 WeakPolarHBondContact CA-OD1 3.11Å; S119-N370 PolarHBondContact N-OD1 3.02Å; E368-N370 VanDerWaalsContact C-N 3.29Å; E368-N370 PolarHBondContact O-N 3.19Å
371	D	64.3	Low	74.8	Confident	115 Å²	115	67.2 Å²	67.2	62%	0.615	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-131	13.7	-171.5	-67.2	-47.8	0	0	0	114	L369	L369-D371 VanDerWaalsContact C-N 3.32Å; L369-D371 PolarHBondContact O-N 3Å
372	Q	72.5	Confident	75	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.43	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-89.1	132.6	177.8	-67	-60.4	-47.9	0	0	110.9	H355 L359	H355-Q372 WeakPolarHBondContact NE2-CB 3.48Å; H355-Q372 PolarHBondContact NE2-O 3.43Å; L359-Q372 HydrophobicContact CD1-CB 3.83Å; L359-Q372 HydrophobicContact CD1-CG 3.94Å; L359-Q372 HydrophobicContact CD2-CG 4.35Å
373	P	81.3	Confident	75.3	Confident	31 Å²	31	54.9 Å²	54.9	20%	0.201	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.6	139.5	-178.2	29.7	-34.7	0	0	0	111.4	Q322 H324 H355 R375	Q322-P373 HydrophobicContact CB-CB 4.13Å; Q322-P373 CarbonylContact O-C 3.49Å; Q322-P373 WeakPolarHBondContact O-CA 3.49Å; H324-P373 HydrophobicContact CB-CB 4.04Å; H324-P373 HydrophobicContact CB-CG 4.1Å; H355-P373 PolarHBondContact CE1-O 2.87Å; H355-P373 VanDerWaalsContact CE1-O 3.25Å; P373-R375 PolarHBondContact O-N 3.34Å
374	F	81.3	Confident	75.2	Confident	11 Å²	11	52.7 Å²	52.7	5%	0.048	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-60.6	132.6	174.2	-64.6	-53.4	0	0	0	110.5	E321 Q322 L323 H324 V327 A352 H355 F379	E321-F374 HydrophobicContact CB-CD2 4.05Å; E321-F374 HydrophobicContact CB-CE2 3.83Å; E321-F374 HydrophobicContact CG-CE2 3.98Å; E321-F374 WeakPolarHBondContact OE2-CE2 3.4Å; Q322-F374 PolarHBondContact O-N 3.18Å; L323-F374 HydrophobicContact CD2-CB 4.01Å; L323-F374 HydrophobicContact CD2-CD2 4.1Å; H324-F374 VanDerWaalsContact CB-O 3.29Å; H324-F374 WeakPolarHBondContact CB-O 3.47Å; H324-F374 PolarHBondContact N-O 3.45Å; V327-F374 WeakPolarHBondContact CG2-O 3.32Å; A352-F374 VanDerWaalsContact CA-CE1 3.43Å; A352-F374 HydrophobicContact CB-CE1 3.66Å; A352-F374 HydrophobicContact CB-CZ 3.54Å; H355-F374 HydrophobicContact CB-CD1 3.78Å; H355-F374 HydrophobicContact CB-CE1 3.98Å; H355-F374 AromaticContact CG-CD1 3.78Å; F374-F379 HydrophobicContact CB-CE2 3.98Å
375	R	86.4	Confident	75.2	Confident	123 Å²	123	55 Å²	55	46%	0.464	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-100.6	160.4	178.9	-62.3	179.6	179.8	173.2	1.2	110.6	H324 P373 A377 D378 F379	H324-R375 HydrophobicContact CB-CG 4.02Å; P373-R375 PolarHBondContact O-N 3.34Å; R375-A377 PolarHBondContact O-N 3.04Å; R375-A377 VanDerWaalsContact O-N 3.14Å; R375-D378 PolarHBondContact N-OD2 3.35Å; R375-D378 WeakPolarHBondContact O-CB 3.49Å; R375-D378 PolarHBondContact O-N 3.4Å; R375-F379 WeakPolarHBondContact O-CD2 3.35Å
376	L	86.8	Confident	75.1	Confident	15 Å²	15	52.1 Å²	52.1	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-28.4	175.5	-176.2	62.9	0	0	0	112.2	D326 E331 I332 D378 F379 K380	D326-L376 PolarHBondContact OD1-N 3Å; D326-L376 WeakPolarHBondContact OD2-CB 3.31Å; D326-L376 PolarHBondContact OD2-N 3.32Å; D326-L376 VanDerWaalsContact OD2-N 3.14Å; E331-L376 WeakPolarHBondContact OE2-CD2 3.42Å; I332-L376 HydrophobicContact CD1-CD1 4.19Å; I332-L376 HydrophobicContact CG1-CD1 3.95Å; L376-D378 VanDerWaalsContact C-N 3.28Å; L376-D378 PolarHBondContact O-N 2.79Å; L376-F379 PolarHBondContact O-N 2.86Å; L376-K380 VanDerWaalsContact CD2-NZ 3.3Å; L376-K380 HydrophobicContact CG-CD 4.17Å; L376-K380 WeakPolarHBondContact O-CB 3.35Å; L376-K380 WeakPolarHBondContact O-CG 3.4Å; L376-K380 PolarHBondContact O-N 3.4Å
377	A	86.9	Confident	74.6	Confident	53 Å²	53	52.5 Å²	52.5	44%	0.438	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-32.5	175.3	0	0	0	0	0	113.3	R375 K380 T381	R375-A377 PolarHBondContact O-N 3.04Å; R375-A377 VanDerWaalsContact O-N 3.14Å; A377-K380 PolarHBondContact O-N 3.13Å; A377-T381 WeakPolarHBondContact O-CB 3.3Å; A377-T381 PolarHBondContact O-N 3.21Å; A377-T381 PolarHBondContact O-OG1 3.1Å
378	D	87.5	Confident	73.6	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.053	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-45.8	-179.7	-56.2	-43.7	0	0	0	110.2	A351 H355 R375 L376 K380 T381 A382	A351-D378 HydrophobicContact CB-CB 4.41Å; H355-D378 WeakPolarHBondContact CA-OD1 3.15Å; H355-D378 HydrophobicContact CB-CB 4.15Å; H355-D378 IonicContact CE1-OD2 3.63Å; H355-D378 IonicContact CG-OD2 2.93Å; H355-D378 IonicContact ND1-OD1 3.87Å; H355-D378 IonicContact ND1-OD2 3.02Å; H355-D378 PolarHBondContact ND1-OD2 3.28Å; R375-D378 PolarHBondContact N-OD2 3.35Å; R375-D378 WeakPolarHBondContact O-CB 3.49Å; R375-D378 PolarHBondContact O-N 3.4Å; L376-D378 VanDerWaalsContact C-N 3.28Å; L376-D378 PolarHBondContact O-N 2.79Å; D378-K380 PolarHBondContact O-N 2.92Å; D378-T381 PolarHBondContact O-N 3.29Å; D378-A382 WeakPolarHBondContact O-CB 3.44Å; D378-A382 PolarHBondContact O-N 2.9Å
379	F	88.5	Confident	72.4	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-38.3	172.2	-67.2	-83.1	0	0	0	112.3	L318 L323 V327 I332 A351 F374 R375 L376 T381 A382 L383	L318-F379 HydrophobicContact CD1-CE1 3.91Å; L318-F379 HydrophobicContact CD1-CZ 3.66Å; L318-F379 HydrophobicContact CD2-CE1 4.36Å; L318-F379 HydrophobicContact CD2-CZ 4.01Å; L323-F379 HydrophobicContact CD2-CE2 4.33Å; L323-F379 HydrophobicContact CD2-CZ 4.33Å; V327-F379 HydrophobicContact CG1-CD2 4.4Å; V327-F379 HydrophobicContact CG1-CE2 4.06Å; V327-F379 HydrophobicContact CG2-CD2 4.48Å; V327-F379 HydrophobicContact CG2-CE2 4.27Å; I332-F379 HydrophobicContact CD1-CB 3.85Å; I332-F379 HydrophobicContact CD1-CD1 3.81Å; I332-F379 HydrophobicContact CD1-CD2 3.73Å; I332-F379 HydrophobicContact CD1-CE1 4.28Å; I332-F379 HydrophobicContact CD1-CE2 4.21Å; I332-F379 HydrophobicContact CD1-CG 3.51Å; I332-F379 HydrophobicContact CD1-CZ 4.47Å; I332-F379 HydrophobicContact CG1-CB 4.16Å; I332-F379 HydrophobicContact CG1-CG 4.33Å; I332-F379 HydrophobicContact CG2-CD1 4.44Å; A351-F379 HydrophobicContact CB-CD1 3.63Å; A351-F379 HydrophobicContact CB-CD2 4.46Å; A351-F379 HydrophobicContact CB-CE1 3.82Å; A351-F379 HydrophobicContact CB-CG 3.98Å; A351-F379 HydrophobicContact CB-CZ 4.32Å; F374-F379 HydrophobicContact CB-CE2 3.98Å; R375-F379 WeakPolarHBondContact O-CD2 3.35Å; L376-F379 PolarHBondContact O-N 2.86Å; F379-T381 VanDerWaalsContact C-N 3.34Å; F379-A382 PolarHBondContact O-N 2.75Å; F379-L383 VanDerWaalsContact O-CB 3.27Å; F379-L383 WeakPolarHBondContact O-CB 3.27Å; F379-L383 WeakPolarHBondContact O-CG 3.42Å; F379-L383 PolarHBondContact O-N 3.41Å
380	K	85.2	Confident	71	Confident	82 Å²	82	55.3 Å²	55.3	36%	0.357	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-38.2	174.6	-77.6	173.5	176.9	169.1	0	112	E331 L376 A377 D378 A384	E331-K380 WeakPolarHBondContact OE1-CE 3.45Å; E331-K380 IonicContact OE1-NZ 3.95Å; E331-K380 PolarHBondContact OE1-NZ 3.25Å; L376-K380 VanDerWaalsContact CD2-NZ 3.3Å; L376-K380 HydrophobicContact CG-CD 4.17Å; L376-K380 WeakPolarHBondContact O-CB 3.35Å; L376-K380 WeakPolarHBondContact O-CG 3.4Å; L376-K380 PolarHBondContact O-N 3.4Å; A377-K380 PolarHBondContact O-N 3.13Å; D378-K380 PolarHBondContact O-N 2.92Å; K380-A384 VanDerWaalsContact O-CB 3.25Å; K380-A384 WeakPolarHBondContact O-CB 3.49Å; K380-A384 PolarHBondContact O-N 2.83Å
381	T	80.7	Confident	69.8	Low	63 Å²	63	59.8 Å²	59.8	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-69	-43.2	176	-59	0	0	0	0	111	A377 D378 F379 A384 R385	A377-T381 WeakPolarHBondContact O-CB 3.3Å; A377-T381 PolarHBondContact O-N 3.21Å; A377-T381 PolarHBondContact O-OG1 3.1Å; D378-T381 PolarHBondContact O-N 3.29Å; F379-T381 VanDerWaalsContact C-N 3.34Å; T381-A384 CarbonylContact O-C 3.59Å; T381-A384 PolarHBondContact O-N 2.78Å; T381-R385 WeakPolarHBondContact O-CG 3.41Å; T381-R385 PolarHBondContact O-N 3.05Å
382	A	80.3	Confident	68.2	Low	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-47.8	174.7	0	0	0	0	0	112	L347 L350 A351 D378 F379 A384 R385 M386	L347-A382 HydrophobicContact CD1-CB 3.69Å; L350-A382 HydrophobicContact CB-CB 3.69Å; A351-A382 HydrophobicContact CB-CB 3.95Å; A351-A382 VanDerWaalsContact N-CB 3.33Å; D378-A382 WeakPolarHBondContact O-CB 3.44Å; D378-A382 PolarHBondContact O-N 2.9Å; F379-A382 PolarHBondContact O-N 2.75Å; A382-A384 VanDerWaalsContact C-N 3.3Å; A382-A384 PolarHBondContact O-N 3.38Å; A382-R385 PolarHBondContact O-N 3.36Å; A382-R385 VanDerWaalsContact O-N 3.08Å; A382-M386 WeakPolarHBondContact O-CG 3.4Å; A382-M386 PolarHBondContact O-N 3.34Å
383	L	78.7	Confident	66.1	Low	10 Å²	10	59.7 Å²	59.7	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-45.2	171.6	-82.8	169.3	0	0	0	110.6	R335 F339 L347 F379 R385 M386 T387	R335-L383 HydrophobicContact CB-CD1 3.81Å; R335-L383 HydrophobicContact CG-CD1 4.48Å; F339-L383 HydrophobicContact CE2-CD2 4.36Å; F339-L383 HydrophobicContact CZ-CD2 4.38Å; L347-L383 HydrophobicContact CD1-CB 4.41Å; L347-L383 HydrophobicContact CD1-CD2 3.93Å; L347-L383 HydrophobicContact CD1-CG 3.69Å; L347-L383 HydrophobicContact CD2-CD2 4.19Å; L347-L383 HydrophobicContact CD2-CG 4.38Å; F379-L383 VanDerWaalsContact O-CB 3.27Å; F379-L383 WeakPolarHBondContact O-CB 3.27Å; F379-L383 WeakPolarHBondContact O-CG 3.42Å; F379-L383 PolarHBondContact O-N 3.41Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 3.25Å; L383-M386 PolarHBondContact O-N 2.82Å; L383-T387 WeakPolarHBondContact O-CA 3.44Å; L383-T387 WeakPolarHBondContact O-CB 3.43Å; L383-T387 VanDerWaalsContact O-CG2 3.23Å; L383-T387 WeakPolarHBondContact O-CG2 3.41Å; L383-T387 PolarHBondContact O-N 2.87Å; L383-T387 PolarHBondContact O-OG1 2.96Å
384	A	71.5	Confident	63.6	Low	20 Å²	20	67.2 Å²	67.2	17%	0.165	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-34.9	176.9	0	0	0	0	0	112.1	K380 T381 A382 T387 R388	K380-A384 VanDerWaalsContact O-CB 3.25Å; K380-A384 WeakPolarHBondContact O-CB 3.49Å; K380-A384 PolarHBondContact O-N 2.83Å; T381-A384 CarbonylContact O-C 3.59Å; T381-A384 PolarHBondContact O-N 2.78Å; A382-A384 VanDerWaalsContact C-N 3.3Å; A382-A384 PolarHBondContact O-N 3.38Å; A384-T387 WeakPolarHBondContact CA-OG1 3.4Å; A384-R388 WeakPolarHBondContact O-CA 3.4Å; A384-R388 WeakPolarHBondContact O-CB 3.48Å; A384-R388 WeakPolarHBondContact O-CD 3.45Å; A384-R388 WeakPolarHBondContact O-CG 3.43Å; A384-R388 PolarHBondContact O-N 3.26Å
385	R	66.7	Low	61.2	Low	72 Å²	72	69.9 Å²	69.9	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-46.2	174.5	-73.4	-178.7	-173.5	-161	4.4	111.6	E109 T381 A382 L383 T387	E109-R385 IonicContact OE1-NH1 2.73Å; E109-R385 IonicContact OE2-NH1 2.9Å; E109-R385 PolarHBondContact OE2-NH1 2.94Å; T381-R385 WeakPolarHBondContact O-CG 3.41Å; T381-R385 PolarHBondContact O-N 3.05Å; A382-R385 PolarHBondContact O-N 3.36Å; A382-R385 VanDerWaalsContact O-N 3.08Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 3.25Å; R385-T387 VanDerWaalsContact C-N 3.29Å; R385-T387 PolarHBondContact O-N 3.37Å
386	M	64.4	Low	58.7	Low	32 Å²	32	65.4 Å²	65.4	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-36.2	176.4	-66.4	-179.1	77.7	0	0	111.5	F339 D343 E346 L347 L350 A382 L383 D390	F339-M386 HydrophobicContact CD2-CE 4.25Å; F339-M386 HydrophobicContact CE2-CE 3.49Å; F339-M386 VanDerWaalsContact CE2-CE 3.49Å; F339-M386 HydrophobicContact CE2-SD 3.91Å; F339-M386 HydrophobicContact CZ-CE 3.99Å; F339-M386 HydrophobicContact CZ-SD 4.46Å; D343-M386 HydrophobicContact CB-CE 4.38Å; E346-M386 HydrophobicContact CB-CE 4.48Å; L347-M386 VanDerWaalsContact CA-SD 3.52Å; L347-M386 HydrophobicContact CB-CE 4.43Å; L347-M386 HydrophobicContact CB-SD 3.65Å; L347-M386 HydrophobicContact CD1-SD 3.79Å; L347-M386 HydrophobicContact CG-SD 4.34Å; L350-M386 HydrophobicContact CD1-CG 3.43Å; L350-M386 VanDerWaalsContact CD1-CG 3.43Å; L350-M386 HydrophobicContact CD1-SD 3.94Å; A382-M386 WeakPolarHBondContact O-CG 3.4Å; A382-M386 PolarHBondContact O-N 3.34Å; L383-M386 PolarHBondContact O-N 2.82Å; M386-D390 WeakPolarHBondContact O-CB 3.28Å
387	T	55.1	Low	56.2	Low	65 Å²	65	68.5 Å²	68.5	40%	0.399	34%	0.342	S	S	.	.	H	α-helix	trans	-89.1	-20.5	-178.6	58.4	0	0	0	0	114.3	L383 A384 R385 D390 D391	L383-T387 WeakPolarHBondContact O-CA 3.44Å; L383-T387 WeakPolarHBondContact O-CB 3.43Å; L383-T387 VanDerWaalsContact O-CG2 3.23Å; L383-T387 WeakPolarHBondContact O-CG2 3.41Å; L383-T387 PolarHBondContact O-N 2.87Å; L383-T387 PolarHBondContact O-OG1 2.96Å; A384-T387 WeakPolarHBondContact CA-OG1 3.4Å; R385-T387 VanDerWaalsContact C-N 3.29Å; R385-T387 PolarHBondContact O-N 3.37Å; T387-D390 CarbonylContact O-C 3.44Å; T387-D390 WeakPolarHBondContact O-CA 3.05Å; T387-D390 VanDerWaalsContact O-CB 3.27Å; T387-D390 WeakPolarHBondContact O-CB 3.37Å; T387-D390 PolarHBondContact O-N 3.45Å; T387-D390 VanDerWaalsContact O-N 3.09Å; T387-D391 PolarHBondContact O-N 3.4Å
388	R	43.2	Very low	53.8	Low	183 Å²	183	67 Å²	67	69%	0.691	33%	0.327	S	S	*	.	H	α-helix	trans	-79.2	-29.1	176.5	-79.9	171.9	-161.6	-172.9	7.7	113.4	A384 D390	A384-R388 WeakPolarHBondContact O-CA 3.4Å; A384-R388 WeakPolarHBondContact O-CB 3.48Å; A384-R388 WeakPolarHBondContact O-CD 3.45Å; A384-R388 WeakPolarHBondContact O-CG 3.43Å; A384-R388 PolarHBondContact O-N 3.26Å; R388-D390 PolarHBondContact O-N 3.11Å
389	D	36.8	Very low	51.3	Low	78 Å²	78	70.7 Å²	70.7	42%	0.417	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.4	163.1	-87.7	-14.6	0	0	0	111.1	K269 K272	K269-D389 PolarHBondContact NZ-O 3.39Å; K272-D389 IonicContact NZ-OD2 3.58Å; K272-D389 PolarHBondContact NZ-OD2 3Å
390	D	36.6	Very low	48.7	Very low	57 Å²	57	73.4 Å²	73.4	31%	0.305	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	31.6	-171	-94.2	4.3	0	0	0	114.4	M386 T387 R388 F392 N393	M386-D390 WeakPolarHBondContact O-CB 3.28Å; T387-D390 CarbonylContact O-C 3.44Å; T387-D390 WeakPolarHBondContact O-CA 3.05Å; T387-D390 VanDerWaalsContact O-CB 3.27Å; T387-D390 WeakPolarHBondContact O-CB 3.37Å; T387-D390 PolarHBondContact O-N 3.45Å; T387-D390 VanDerWaalsContact O-N 3.09Å; R388-D390 PolarHBondContact O-N 3.11Å; D390-F392 PolarHBondContact O-N 3.2Å; D390-N393 HydrophobicContact CB-CB 3.93Å; D390-N393 PolarHBondContact O-N 3.04Å; D390-N393 PolarHBondContact OD1-ND2 2.97Å; D390-N393 WeakPolarHBondContact OD2-CB 3.09Å; D390-N393 PolarHBondContact OD2-ND2 3.36Å
391	D	30.7	Very low	46.3	Very low	143 Å²	143	70.5 Å²	70.5	77%	0.765	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-5.1	161.8	-94.6	-16.9	0	0	0	112.5	T387	T387-D391 PolarHBondContact O-N 3.4Å
392	F	31	Very low	44	Very low	122 Å²	122	70.3 Å²	70.3	54%	0.535	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-6.9	173.7	-94	-60.8	0	0	0	117.4	D390	D390-F392 PolarHBondContact O-N 3.2Å
393	N	28.7	Very low	42	Very low	82 Å²	82	75.2 Å²	75.2	44%	0.439	39%	0.394	S	S	.	.			trans	-107.8	42.6	179.3	-79.8	-18.7	0	0	0	112.5	D390 C395	D390-N393 HydrophobicContact CB-CB 3.93Å; D390-N393 PolarHBondContact O-N 3.04Å; D390-N393 PolarHBondContact OD1-ND2 2.97Å; D390-N393 WeakPolarHBondContact OD2-CB 3.09Å; D390-N393 PolarHBondContact OD2-ND2 3.36Å; N393-C395 PolarHBondContact O-N 2.74Å
394	R	28.1	Very low	40	Very low	190 Å²	190	80.1 Å²	80.1	72%	0.717	42%	0.42	S	S	*	.			trans	-64.9	69.8	146.2	-78.9	-173.9	-177.9	168.7	0.4	108.2	I396 D415	R394-I396 VanDerWaalsContact C-N 3.26Å; R394-I396 PolarHBondContact O-N 2.79Å; R394-D415 IonicContact NH1-OD2 3.71Å; R394-D415 PolarHBondContact NH1-OD2 3.49Å; R394-D415 VanDerWaalsContact NH1-OD2 3.08Å
395	C	30.7	Very low	38.4	Very low	67 Å²	67	82 Å²	82	45%	0.453	44%	0.443	S	S	.	.			trans	-62.8	101.1	159.1	-76.3	0	0	0	0	105.9	L338 N393 D397	L338-C395 HydrophobicContact CD1-CB 3.23Å; N393-C395 PolarHBondContact O-N 2.74Å; C395-D397 PolarHBondContact O-N 2.75Å
396	I	33.5	Very low	37.1	Very low	29 Å²	29	85.4 Å²	85.4	15%	0.149	46%	0.459	C	S	.	.			trans	-29.4	125	153.8	-32	-176.6	0	0	0	109.2	R394 V398 P413 F416 A564	R394-I396 VanDerWaalsContact C-N 3.26Å; R394-I396 PolarHBondContact O-N 2.79Å; I396-V398 HydrophobicContact CB-CG2 3.69Å; I396-V398 HydrophobicContact CG2-CG2 3.83Å; I396-V398 WeakPolarHBondContact O-CG2 3.38Å; I396-V398 PolarHBondContact O-N 2.89Å; I396-P413 HydrophobicContact CB-CG 4.01Å; I396-P413 HydrophobicContact CD1-CG 3.72Å; I396-P413 HydrophobicContact CG1-CG 3.66Å; I396-P413 HydrophobicContact CG2-CG 3.48Å; I396-P413 VanDerWaalsContact CG2-CG 3.48Å; I396-F416 HydrophobicContact CD1-CD2 3.89Å; I396-F416 HydrophobicContact CD1-CE2 3.2Å; I396-F416 HydrophobicContact CD1-CZ 4.06Å; I396-F416 HydrophobicContact CG1-CE2 3.72Å; I396-F416 HydrophobicContact CG1-CZ 4.32Å; I396-A564 HydrophobicContact CD1-CB 3.53Å; I396-A564 HydrophobicContact CG1-CB 4.47Å
397	D	34.5	Very low	36.2	Very low	79 Å²	79	85.6 Å²	85.6	42%	0.422	46%	0.46	S	S	.	.			trans	-67.6	77.5	162	-165.9	-9.5	0	0	0	108	Q337 C395 G400	Q337-D397 PolarHBondContact NE2-OD2 3.15Å; C395-D397 PolarHBondContact O-N 2.75Å; D397-G400 PolarHBondContact OD1-N 3.04Å
398	V	37.9	Very low	35.8	Very low	21 Å²	21	87.5 Å²	87.5	13%	0.127	46%	0.463	C	S	.	.			trans	-73.6	-24.4	176.8	-160.2	0	0	0	0	109.7	I396 A401 L402 I568	I396-V398 HydrophobicContact CB-CG2 3.69Å; I396-V398 HydrophobicContact CG2-CG2 3.83Å; I396-V398 WeakPolarHBondContact O-CG2 3.38Å; I396-V398 PolarHBondContact O-N 2.89Å; V398-A401 PolarHBondContact O-N 2.82Å; V398-L402 HydrophobicContact CG1-CD1 4.37Å; V398-L402 VanDerWaalsContact O-CD1 3.24Å; V398-L402 WeakPolarHBondContact O-CD1 3.36Å; V398-L402 VanDerWaalsContact O-CG 3.26Å; V398-L402 WeakPolarHBondContact O-CG 3.44Å; V398-I568 HydrophobicContact CG1-CB 4.28Å
399	E	33.7	Very low	36	Very low	88 Å²	88	81.2 Å²	81.2	41%	0.411	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-73.8	-27.3	-179.4	-71.2	-162.6	139.2	0	0	112.9	K305	K305-E399 WeakPolarHBondContact CD-OE1 3.31Å; K305-E399 VanDerWaalsContact CE-OE1 3.3Å; K305-E399 WeakPolarHBondContact CE-OE1 3.29Å; K305-E399 WeakPolarHBondContact CG-OE2 3.4Å; K305-E399 IonicContact NZ-OE1 3.05Å; K305-E399 PolarHBondContact NZ-OE1 3.07Å
400	G	35.1	Very low	36.4	Very low	58 Å²	58	84.6 Å²	84.6	60%	0.598	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-74.3	-18.7	172	0	0	0	0	0	115.9	D397	D397-G400 PolarHBondContact OD1-N 3.04Å
401	A	34.8	Very low	37.1	Very low	22 Å²	22	83.9 Å²	83.9	18%	0.182	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-89.3	-5.6	-179.1	0	0	0	0	0	114.1	V398 D411	V398-A401 PolarHBondContact O-N 2.82Å; A401-D411 HydrophobicContact CB-CB 3.72Å
402	L	33	Very low	38.3	Very low	59 Å²	59	78 Å²	78	31%	0.309	42%	0.415	S	S	.	.			trans	-99.2	13.9	-163.6	-77.6	168.9	0	0	0	115.8	V398	V398-L402 HydrophobicContact CG1-CD1 4.37Å; V398-L402 VanDerWaalsContact O-CD1 3.24Å; V398-L402 WeakPolarHBondContact O-CD1 3.36Å; V398-L402 VanDerWaalsContact O-CG 3.26Å; V398-L402 WeakPolarHBondContact O-CG 3.44Å
403	S	38.1	Very low	39.5	Very low	102 Å²	102	73.8 Å²	73.8	71%	0.713	40%	0.4	S	S	*	.	S	Bend	trans	-78.2	-23.9	-178.4	65.1	0	0	0	0	114.7
404	D	35.5	Very low	40.9	Very low	113 Å²	113	73.3 Å²	73.3	60%	0.604	40%	0.403	S	S	*	.	S	Bend	trans	-129.1	76.1	-172.6	-71	-14.2	0	0	0	113.1	F406	D404-F406 VanDerWaalsContact C-N 3.3Å; D404-F406 PolarHBondContact O-N 2.9Å
405	G	38.7	Very low	42.3	Very low	61 Å²	61	68.1 Å²	68.1	63%	0.629	39%	0.39	S	S	*	.	S	Bend	trans	69.7	-33.8	148.4	0	0	0	0	0	121.1
406	F	40.3	Very low	43.9	Very low	142 Å²	142	66 Å²	66	62%	0.623	37%	0.373	S	S	*	.	S	Bend	trans	-158.2	143.6	179.9	-91	-92.4	0	0	0	108.1	D404 K408	D404-F406 VanDerWaalsContact C-N 3.3Å; D404-F406 PolarHBondContact O-N 2.9Å; F406-K408 PolarHBondContact O-N 2.94Å
407	M	45.1	Very low	45.5	Very low	36 Å²	36	68.1 Å²	68.1	18%	0.177	38%	0.379	C	S	.	.			trans	-63.6	126	176.9	-155.7	-136.4	-147.1	0	0	108.8	D411 I412 F443 I568	M407-D411 VanDerWaalsContact CE-C 3.45Å; M407-D411 HydrophobicContact CE-CB 3.74Å; M407-D411 VanDerWaalsContact CE-O 3.3Å; M407-D411 WeakPolarHBondContact CE-O 3.26Å; M407-D411 HydrophobicContact CG-CB 4.03Å; M407-D411 HydrophobicContact SD-CB 4.08Å; M407-I412 HydrophobicContact CE-CG1 3.86Å; M407-I412 HydrophobicContact SD-CD1 4.32Å; M407-I412 HydrophobicContact SD-CG1 3.49Å; M407-I412 WeakPolarHBondContact SD-CG1 3.41Å; M407-F443 HydrophobicContact CE-CZ 4.5Å; M407-I568 HydrophobicContact CB-CD1 3.86Å; M407-I568 HydrophobicContact CB-CG1 3.89Å; M407-I568 HydrophobicContact CE-CD1 3.27Å; M407-I568 HydrophobicContact CE-CG1 3.66Å; M407-I568 HydrophobicContact CG-CD1 3.61Å; M407-I568 HydrophobicContact CG-CG1 3.69Å; M407-I568 HydrophobicContact SD-CD1 3.04Å; M407-I568 WeakPolarHBondContact SD-CD1 3.17Å; M407-I568 HydrophobicContact SD-CG1 3.77Å
408	K	46.9	Very low	47.2	Very low	105 Å²	105	66 Å²	66	46%	0.457	37%	0.365	S	S	.	.			trans	-84.9	135.9	169.9	-69.6	177.7	179.5	170.1	0	107.3	F406 K410 D411	F406-K408 PolarHBondContact O-N 2.94Å; K408-K410 HydrophobicContact CB-CD 4.32Å; K408-K410 HydrophobicContact CB-CG 3.86Å; K408-K410 PolarHBondContact O-N 3.07Å; K408-D411 PolarHBondContact N-OD2 3.13Å; K408-D411 WeakPolarHBondContact O-CB 3.28Å; K408-D411 PolarHBondContact O-N 3.14Å
409	Y	46.9	Very low	48.3	Very low	52 Å²	52	70.9 Å²	70.9	20%	0.204	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-42	-33.1	177.9	178	-103.6	0	0	0	116.2	D411 I412 Y502 L524 E525	Y409-D411 PolarHBondContact O-N 3Å; Y409-D411 VanDerWaalsContact O-N 3.14Å; Y409-I412 HydrophobicContact CD2-CD1 4.1Å; Y409-I412 PolarHBondContact O-N 3.2Å; Y409-Y502 WeakPolarHBondContact OH-CD2 3.47Å; Y409-Y502 WeakPolarHBondContact OH-CE2 3.39Å; Y409-L524 HydrophobicContact CD2-CD1 4.4Å; Y409-L524 HydrophobicContact CE2-CD1 4.21Å; Y409-E525 PolarHBondContact N-OE1 3.29Å
410	K	44.6	Very low	49.8	Very low	148 Å²	148	68.1 Å²	68.1	64%	0.643	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-57.9	-22	175.9	64.2	175.2	-172.7	167.1	0	114.2	K408	K408-K410 HydrophobicContact CB-CD 4.32Å; K408-K410 HydrophobicContact CB-CG 3.86Å; K408-K410 PolarHBondContact O-N 3.07Å
411	D	50.6	Low	51.3	Low	43 Å²	43	73 Å²	73	23%	0.23	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-88.1	-5.4	-175.7	-53.4	-40.8	0	0	0	112	A401 M407 K408 Y409 P413	A401-D411 HydrophobicContact CB-CB 3.72Å; M407-D411 VanDerWaalsContact CE-C 3.45Å; M407-D411 HydrophobicContact CE-CB 3.74Å; M407-D411 VanDerWaalsContact CE-O 3.3Å; M407-D411 WeakPolarHBondContact CE-O 3.26Å; M407-D411 HydrophobicContact CG-CB 4.03Å; M407-D411 HydrophobicContact SD-CB 4.08Å; K408-D411 PolarHBondContact N-OD2 3.13Å; K408-D411 WeakPolarHBondContact O-CB 3.28Å; K408-D411 PolarHBondContact O-N 3.14Å; Y409-D411 PolarHBondContact O-N 3Å; Y409-D411 VanDerWaalsContact O-N 3.14Å; D411-P413 VanDerWaalsContact O-CD 3.29Å; D411-P413 WeakPolarHBondContact O-CD 3.29Å
412	I	56	Low	53	Low	19 Å²	19	76.5 Å²	76.5	10%	0.097	41%	0.411	C	S	.	.	S	Bend	trans	-81	118.7	173.3	-55.2	174.7	0	0	0	109.4	M407 Y409 F416 F443	M407-I412 HydrophobicContact CE-CG1 3.86Å; M407-I412 HydrophobicContact SD-CD1 4.32Å; M407-I412 HydrophobicContact SD-CG1 3.49Å; M407-I412 WeakPolarHBondContact SD-CG1 3.41Å; Y409-I412 HydrophobicContact CD2-CD1 4.1Å; Y409-I412 PolarHBondContact O-N 3.2Å; I412-F416 HydrophobicContact CG2-CB 4.18Å; I412-F443 HydrophobicContact CD1-CE1 4.01Å; I412-F443 HydrophobicContact CG1-CE1 4.09Å; I412-F443 HydrophobicContact CG1-CZ 4.18Å; I412-F443 HydrophobicContact CG2-CE1 3.99Å; I412-F443 HydrophobicContact CG2-CZ 4.17Å
413	P	56.4	Low	55.1	Low	33 Å²	33	78.4 Å²	78.4	21%	0.214	42%	0.421	C	S	.	.			trans	-55.7	144.9	176.6	-32.5	40.9	0	0	0	113.2	I396 D411 D415 F416	I396-P413 HydrophobicContact CB-CG 4.01Å; I396-P413 HydrophobicContact CD1-CG 3.72Å; I396-P413 HydrophobicContact CG1-CG 3.66Å; I396-P413 HydrophobicContact CG2-CG 3.48Å; I396-P413 VanDerWaalsContact CG2-CG 3.48Å; D411-P413 VanDerWaalsContact O-CD 3.29Å; D411-P413 WeakPolarHBondContact O-CD 3.29Å; P413-D415 PolarHBondContact O-N 3.43Å; P413-F416 HydrophobicContact CB-CD2 3.76Å; P413-F416 HydrophobicContact CB-CE2 3.61Å; P413-F416 HydrophobicContact CG-CD2 3.97Å; P413-F416 HydrophobicContact CG-CE2 3.68Å; P413-F416 PolarHBondContact O-N 2.65Å; P413-F416 VanDerWaalsContact O-N 3.07Å
414	S	58.7	Low	57.2	Low	72 Å²	72	74.4 Å²	74.4	50%	0.503	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-49.9	-34.4	179.5	49.1	0	0	0	0	112.9	F416 R417	S414-F416 PolarHBondContact O-N 3.19Å; S414-R417 VanDerWaalsContact O-CB 3.32Å; S414-R417 WeakPolarHBondContact O-CB 3.12Å; S414-R417 WeakPolarHBondContact O-CG 2.83Å; S414-R417 PolarHBondContact O-N 3.18Å
415	D	56.8	Low	59.6	Low	82 Å²	82	75.1 Å²	75.1	44%	0.439	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-74	-13.9	-171.1	-55	-13.5	0	0	0	112.4	R394 P413	R394-D415 IonicContact NH1-OD2 3.71Å; R394-D415 PolarHBondContact NH1-OD2 3.49Å; R394-D415 VanDerWaalsContact NH1-OD2 3.08Å; P413-D415 PolarHBondContact O-N 3.43Å
416	F	65.4	Low	61.9	Low	23 Å²	23	72.8 Å²	72.8	10%	0.101	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-103.1	7.5	175.2	-46.8	-47	0	0	0	113.5	I396 I412 P413 S414 H440 F443 I561	I396-F416 HydrophobicContact CD1-CD2 3.89Å; I396-F416 HydrophobicContact CD1-CE2 3.2Å; I396-F416 HydrophobicContact CD1-CZ 4.06Å; I396-F416 HydrophobicContact CG1-CE2 3.72Å; I396-F416 HydrophobicContact CG1-CZ 4.32Å; I412-F416 HydrophobicContact CG2-CB 4.18Å; P413-F416 HydrophobicContact CB-CD2 3.76Å; P413-F416 HydrophobicContact CB-CE2 3.61Å; P413-F416 HydrophobicContact CG-CD2 3.97Å; P413-F416 HydrophobicContact CG-CE2 3.68Å; P413-F416 PolarHBondContact O-N 2.65Å; P413-F416 VanDerWaalsContact O-N 3.07Å; S414-F416 PolarHBondContact O-N 3.19Å; F416-H440 VanDerWaalsContact O-CA 3.3Å; F416-H440 WeakPolarHBondContact O-CA 3.4Å; F416-H440 WeakPolarHBondContact O-CB 3.37Å; F416-F443 HydrophobicContact CB-CB 4.22Å; F416-F443 HydrophobicContact CB-CG 4.23Å; F416-F443 HydrophobicContact CD2-CD2 4.3Å; F416-F443 HydrophobicContact CG-CD2 4.42Å; F416-I561 HydrophobicContact CD1-CD1 4.02Å; F416-I561 HydrophobicContact CD1-CG1 4.01Å; F416-I561 HydrophobicContact CD1-CG2 3.74Å; F416-I561 HydrophobicContact CE1-CB 4.31Å; F416-I561 HydrophobicContact CE1-CD1 3.71Å; F416-I561 HydrophobicContact CE1-CG1 3.47Å; F416-I561 VanDerWaalsContact CE1-CG1 3.47Å; F416-I561 HydrophobicContact CE1-CG2 4.01Å; F416-I561 HydrophobicContact CG-CG2 4.4Å; F416-I561 HydrophobicContact CZ-CG1 4.25Å
417	R	65.8	Low	63.8	Low	72 Å²	72	66.8 Å²	66.8	27%	0.272	34%	0.336	S	S	.	.	S	Bend	trans	-76.3	147.3	176.7	-63.4	174	-179.8	-165.8	5.5	109.8	S414 T419 Y502	S414-R417 VanDerWaalsContact O-CB 3.32Å; S414-R417 WeakPolarHBondContact O-CB 3.12Å; S414-R417 WeakPolarHBondContact O-CG 2.83Å; S414-R417 PolarHBondContact O-N 3.18Å; R417-T419 PolarHBondContact O-N 3.37Å; R417-Y502 HydrophobicContact CB-CD2 4.22Å; R417-Y502 HydrophobicContact CB-CE2 4.23Å; R417-Y502 VanDerWaalsContact CD-CE2 3.46Å; R417-Y502 HydrophobicContact CG-CD2 4.33Å; R417-Y502 HydrophobicContact CG-CE2 4.03Å; R417-Y502 PolarHBondContact NH1-OH 3.01Å
418	R	71.1	Confident	65.2	Low	34 Å²	34	67.3 Å²	67.3	13%	0.128	34%	0.341	C	S	.	.			trans	-68.1	119.3	176	-178.5	174.2	176.8	-157.2	2.8	108.6	S420 N421 E422 H440 N499	R418-S420 WeakPolarHBondContact CG-O 3.11Å; R418-S420 PolarHBondContact NE-O 2.87Å; R418-S420 PolarHBondContact NH2-O 2.87Å; R418-N421 PolarHBondContact NH2-O 2.96Å; R418-E422 PolarHBondContact NH2-O 3.47Å; R418-H440 HydrophobicContact CB-CB 4.33Å; R418-N499 PolarHBondContact NH1-O 3.3Å; R418-N499 PolarHBondContact NH2-OD1 3.5Å
419	T	61.3	Low	67	Low	125 Å²	125	63.3 Å²	63.3	77%	0.767	33%	0.327	S	S	*	.			trans	-101.1	-14.6	-178.5	50.7	0	0	0	0	113.6	R417	R417-T419 PolarHBondContact O-N 3.37Å
420	S	64.9	Low	69.1	Low	29 Å²	29	61 Å²	61	20%	0.203	32%	0.32	C	S	.	.			trans	-115.9	138.4	-176.8	178.8	0	0	0	0	112	R418 E422	R418-S420 WeakPolarHBondContact CG-O 3.11Å; R418-S420 PolarHBondContact NE-O 2.87Å; R418-S420 PolarHBondContact NH2-O 2.87Å; S420-E422 VanDerWaalsContact C-N 3.25Å; S420-E422 WeakPolarHBondContact OG-CB 2.96Å; S420-E422 WeakPolarHBondContact OG-CG 3.35Å; S420-E422 PolarHBondContact OG-N 3.25Å; S420-E422 VanDerWaalsContact OG-N 3.1Å
421	N	66.9	Low	71.3	Confident	161 Å²	161	54.1 Å²	54.1	86%	0.861	29%	0.29	S	S	*	.			trans	-79.5	-5.8	171.6	-71.7	-14.7	0	0	0	113.1	R418	R418-N421 PolarHBondContact NH2-O 2.96Å
422	E	70.1	Confident	73.3	Confident	96 Å²	96	53.8 Å²	53.8	45%	0.449	29%	0.286	S	S	.	.	S	Bend	trans	-64.6	137.2	176.6	-65.9	172.1	168	0	0	110.9	R418 S420 L424 K437	R418-E422 PolarHBondContact NH2-O 3.47Å; S420-E422 VanDerWaalsContact C-N 3.25Å; S420-E422 WeakPolarHBondContact OG-CB 2.96Å; S420-E422 WeakPolarHBondContact OG-CG 3.35Å; S420-E422 PolarHBondContact OG-N 3.25Å; S420-E422 VanDerWaalsContact OG-N 3.1Å; E422-L424 PolarHBondContact O-N 2.99Å; E422-K437 IonicContact OE1-NZ 2.74Å; E422-K437 PolarHBondContact OE1-NZ 3.4Å; E422-K437 WeakPolarHBondContact OE2-CE 3.42Å; E422-K437 IonicContact OE2-NZ 3.57Å; E422-K437 PolarHBondContact OE2-NZ 3.37Å
423	L	77	Confident	74.9	Confident	99 Å²	99	55.5 Å²	55.5	52%	0.518	29%	0.293	S	S	.	.			trans	-79.9	111.2	178.1	-178.6	76.9	0	0	0	110.1	R425 N499	L423-R425 HydrophobicContact CD2-CG 4.29Å; L423-R425 HydrophobicContact CG-CG 4.36Å; L423-N499 HydrophobicContact CD1-CB 4.01Å
424	L	83.1	Confident	76.4	Confident	18 Å²	18	59.5 Å²	59.5	9%	0.094	31%	0.307	C	S	.	.			trans	-88.6	130.1	174.2	-62.5	176.7	0	0	0	109.7	E422 F431 E433 V441 N499	E422-L424 PolarHBondContact O-N 2.99Å; L424-F431 HydrophobicContact CB-CD1 4.15Å; L424-F431 HydrophobicContact CB-CE1 4.14Å; L424-E433 HydrophobicContact CD2-CB 4.25Å; L424-E433 HydrophobicContact CD2-CG 4.02Å; L424-V441 HydrophobicContact CD1-CG2 3.47Å; L424-V441 VanDerWaalsContact CD1-CG2 3.47Å; L424-N499 PolarHBondContact N-OD1 3.2Å; L424-N499 PolarHBondContact O-ND2 3.31Å
425	R	84.4	Confident	77.9	Confident	127 Å²	127	56.8 Å²	56.8	48%	0.479	29%	0.289	S	S	.	.			trans	-111.9	139.9	-179.7	-66.2	-172.5	-179.4	-155.3	-3.8	111.4	L423 G427 F431 T495	L423-R425 HydrophobicContact CD2-CG 4.29Å; L423-R425 HydrophobicContact CG-CG 4.36Å; R425-G427 PolarHBondContact O-N 3.02Å; R425-F431 VanDerWaalsContact C-CE1 3.42Å; R425-F431 WeakPolarHBondContact O-CD1 3.41Å; R425-T495 HydrophobicContact CB-CG2 4.45Å; R425-T495 HydrophobicContact CG-CG2 4.2Å
426	Y	87.4	Confident	79.3	Confident	13 Å²	13	58.4 Å²	58.4	5%	0.051	30%	0.302	C	S	.	.			trans	-73.1	107	165.9	-161.8	-76.3	0	0	0	107.4	F431 M478 L486 E491 A494 T495	Y426-F431 AromaticContact CD2-CD2 3.64Å; Y426-F431 HydrophobicContact CD2-CD2 3.64Å; Y426-F431 AromaticContact CD2-CE2 3.49Å; Y426-F431 HydrophobicContact CD2-CE2 3.49Å; Y426-F431 VanDerWaalsContact CD2-CE2 3.49Å; Y426-F431 HydrophobicContact CD2-CG 4.44Å; Y426-F431 HydrophobicContact CD2-CZ 4.14Å; Y426-F431 HydrophobicContact CE2-CD2 4.29Å; Y426-F431 HydrophobicContact CE2-CE2 4.38Å; Y426-F431 HydrophobicContact CG-CE2 4.3Å; Y426-M478 PolarHBondContact OH-N 3.41Å; Y426-L486 HydrophobicContact CE1-CB 4.46Å; Y426-L486 HydrophobicContact CE1-CD2 4.22Å; Y426-L486 HydrophobicContact CE2-CD2 4.16Å; Y426-E491 HydrophobicContact CD1-CB 3.81Å; Y426-E491 HydrophobicContact CD1-CG 3.65Å; Y426-E491 HydrophobicContact CE1-CB 4.46Å; Y426-E491 HydrophobicContact CE1-CG 3.84Å; Y426-E491 HydrophobicContact CG-CB 4.38Å; Y426-A494 HydrophobicContact CD2-CB 3.68Å; Y426-A494 HydrophobicContact CE2-CB 4.34Å; Y426-A494 HydrophobicContact CG-CB 4.12Å; Y426-T495 WeakPolarHBondContact CB-OG1 3.45Å; Y426-T495 PolarHBondContact N-OG1 2.61Å
427	G	80.2	Confident	80.3	Confident	16 Å²	16	59.7 Å²	59.7	17%	0.165	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-92.9	-170.3	178.4	0	0	0	0	0	112.2	R425 A429 G430	R425-G427 PolarHBondContact O-N 3.02Å; G427-A429 PolarHBondContact O-N 2.54Å; G427-G430 PolarHBondContact N-O 3.29Å; G427-G430 PolarHBondContact O-N 2.78Å
428	T	75.4	Confident	81.5	Confident	46 Å²	46	56.3 Å²	56.3	28%	0.282	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.3	177.6	-41.8	0	0	0	0	114.1	M485	T428-M485 WeakPolarHBondContact O-CE 3.46Å
429	A	83.3	Confident	82.3	Confident	21 Å²	21	56.2 Å²	56.2	17%	0.174	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	28.2	-179.7	0	0	0	0	0	112.3	G427	G427-A429 PolarHBondContact O-N 2.54Å
430	G	90.9	Very high	83.5	Confident	5 Å²	5	50.4 Å²	50.4	5%	0.052	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	81.3	-156.4	-177.6	0	0	0	0	0	114.1	G427 L476	G427-G430 PolarHBondContact N-O 3.29Å; G427-G430 PolarHBondContact O-N 2.78Å; G430-L476 CarbonylContact C-O 3.55Å; G430-L476 VanDerWaalsContact CA-O 3.3Å; G430-L476 WeakPolarHBondContact CA-O 3.22Å
431	F	92.3	Very high	84.7	Confident	3 Å²	3	49 Å²	49	1%	0.013	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.4	173.4	-70	-74.7	0	0	0	110	L424 R425 Y426 L438 V441 M445 G475 L476 A494 A498	L424-F431 HydrophobicContact CB-CD1 4.15Å; L424-F431 HydrophobicContact CB-CE1 4.14Å; R425-F431 VanDerWaalsContact C-CE1 3.42Å; R425-F431 WeakPolarHBondContact O-CD1 3.41Å; Y426-F431 AromaticContact CD2-CD2 3.64Å; Y426-F431 HydrophobicContact CD2-CD2 3.64Å; Y426-F431 AromaticContact CD2-CE2 3.49Å; Y426-F431 HydrophobicContact CD2-CE2 3.49Å; Y426-F431 VanDerWaalsContact CD2-CE2 3.49Å; Y426-F431 HydrophobicContact CD2-CG 4.44Å; Y426-F431 HydrophobicContact CD2-CZ 4.14Å; Y426-F431 HydrophobicContact CE2-CD2 4.29Å; Y426-F431 HydrophobicContact CE2-CE2 4.38Å; Y426-F431 HydrophobicContact CG-CE2 4.3Å; F431-L438 HydrophobicContact CB-CD2 4.47Å; F431-V441 HydrophobicContact CB-CG1 4.02Å; F431-V441 HydrophobicContact CD1-CG1 4.12Å; F431-V441 HydrophobicContact CD2-CG1 3.32Å; F431-V441 HydrophobicContact CE1-CG1 4.43Å; F431-V441 HydrophobicContact CE2-CG1 3.68Å; F431-V441 HydrophobicContact CG-CG1 3.56Å; F431-V441 HydrophobicContact CZ-CG1 4.24Å; F431-M445 HydrophobicContact CD2-CG 4.16Å; F431-M445 HydrophobicContact CD2-SD 4.27Å; F431-M445 HydrophobicContact CE2-CE 4.13Å; F431-M445 HydrophobicContact CE2-CG 4Å; F431-M445 HydrophobicContact CE2-SD 3.65Å; F431-G475 CarbonylContact O-C 3.53Å; F431-G475 WeakPolarHBondContact O-CA 3.44Å; F431-L476 PolarHBondContact N-O 2.8Å; F431-L476 PolarHBondContact O-N 3.26Å; F431-A494 HydrophobicContact CE2-CB 4.35Å; F431-A498 HydrophobicContact CE1-CB 3.85Å; F431-A498 HydrophobicContact CE2-CB 4.01Å; F431-A498 HydrophobicContact CZ-CB 3.33Å
432	R	91.4	Very high	85.9	Confident	36 Å²	36	41.4 Å²	41.4	14%	0.136	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.3	173.5	-65.4	-174.7	-177.7	-161	-1.8	109.6	A466 H468 N469 N474	R432-A466 PolarHBondContact NH1-O 3.11Å; R432-H468 PolarHBondContact NH1-CE1 2.81Å; R432-N469 PolarHBondContact NH1-OD1 2.92Å; R432-N474 WeakPolarHBondContact CA-O 2.93Å
433	E	89.3	Confident	86.9	Confident	54 Å²	54	37 Å²	37	25%	0.252	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	173	-179.3	-176.6	49.9	-106.6	0	0	108.9	L424 A435 K437 L438 N474	L424-E433 HydrophobicContact CD2-CB 4.25Å; L424-E433 HydrophobicContact CD2-CG 4.02Å; E433-A435 PolarHBondContact O-N 3.31Å; E433-K437 HydrophobicContact CG-CB 3.9Å; E433-K437 HydrophobicContact CG-CD 3.61Å; E433-K437 HydrophobicContact CG-CG 4.32Å; E433-K437 IonicContact OE1-NZ 3.69Å; E433-L438 HydrophobicContact CB-CD2 4.09Å; E433-L438 HydrophobicContact CB-CG 4.44Å; E433-N474 PolarHBondContact N-O 2.8Å; E433-N474 VanDerWaalsContact N-O 3.12Å; E433-N474 PolarHBondContact O-N 2.94Å
434	K	89.4	Confident	87.5	Confident	117 Å²	117	32.9 Å²	32.9	51%	0.509	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.3	131.3	166.1	-70	-174.3	178	-171.3	0	111.3	T436 K437	K434-T436 PolarHBondContact O-N 3.26Å; K434-K437 PolarHBondContact O-N 3.45Å
435	A	88.8	Confident	88	Confident	15 Å²	15	32 Å²	32	12%	0.124	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-55.5	-32.2	-172.9	0	0	0	0	0	113.8	E433 K437 L438 G472 N474 S554 L558	E433-A435 PolarHBondContact O-N 3.31Å; A435-K437 PolarHBondContact O-N 3.13Å; A435-L438 PolarHBondContact O-N 3.23Å; A435-G472 PolarHBondContact N-O 2.88Å; A435-G472 VanDerWaalsContact N-O 3.12Å; A435-N474 HydrophobicContact CB-CB 4.01Å; A435-S554 VanDerWaalsContact CB-CB 3.45Å; A435-S554 WeakPolarHBondContact CB-OG 3.36Å; A435-L558 HydrophobicContact CB-CD1 4.4Å
436	T	87	Confident	88.4	Confident	117 Å²	117	26 Å²	26	72%	0.718	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-65.1	-20.7	178.9	54.6	0	0	0	0	114.3	K434 P439	K434-T436 PolarHBondContact O-N 3.26Å; T436-P439 WeakPolarHBondContact O-CD 3.45Å
437	K	86.8	Confident	88.6	Confident	50 Å²	50	25.7 Å²	25.7	22%	0.217	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-92.7	-12.5	179.5	-65.2	179.4	176.6	179.7	0	113.3	E422 E433 K434 A435 H440	E422-K437 IonicContact OE1-NZ 2.74Å; E422-K437 PolarHBondContact OE1-NZ 3.4Å; E422-K437 WeakPolarHBondContact OE2-CE 3.42Å; E422-K437 IonicContact OE2-NZ 3.57Å; E422-K437 PolarHBondContact OE2-NZ 3.37Å; E433-K437 HydrophobicContact CG-CB 3.9Å; E433-K437 HydrophobicContact CG-CD 3.61Å; E433-K437 HydrophobicContact CG-CG 4.32Å; E433-K437 IonicContact OE1-NZ 3.69Å; K434-K437 PolarHBondContact O-N 3.45Å; A435-K437 PolarHBondContact O-N 3.13Å; K437-H440 PolarHBondContact O-CE1 2.93Å; K437-H440 PolarHBondContact O-ND1 3.43Å; K437-H440 VanDerWaalsContact O-ND1 3.1Å
438	L	90.1	Very high	89.3	Confident	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.			trans	-84.7	-15.2	-173.2	-65.3	173.2	0	0	0	117.8	F431 E433 A435 H440 V441 M442 N474 L558	F431-L438 HydrophobicContact CB-CD2 4.47Å; E433-L438 HydrophobicContact CB-CD2 4.09Å; E433-L438 HydrophobicContact CB-CG 4.44Å; A435-L438 PolarHBondContact O-N 3.23Å; L438-H440 PolarHBondContact O-N 3.4Å; L438-V441 HydrophobicContact CD2-CB 4.47Å; L438-V441 HydrophobicContact CD2-CG2 4.49Å; L438-V441 WeakPolarHBondContact O-CA 3.43Å; L438-V441 WeakPolarHBondContact O-CB 3.33Å; L438-V441 PolarHBondContact O-N 3.02Å; L438-M442 HydrophobicContact CB-CE 3.89Å; L438-M442 HydrophobicContact CB-CG 4.36Å; L438-M442 HydrophobicContact CD1-CE 3.8Å; L438-M442 HydrophobicContact CG-CE 4.32Å; L438-M442 WeakPolarHBondContact O-CG 3.35Å; L438-M442 PolarHBondContact O-N 3.15Å; L438-N474 HydrophobicContact CD1-CB 3.98Å; L438-N474 VanDerWaalsContact CD1-O 3.32Å; L438-N474 WeakPolarHBondContact CD1-O 3.3Å; L438-L558 HydrophobicContact CB-CD2 3.92Å; L438-L558 HydrophobicContact CD1-CD1 4.39Å
439	P	88.7	Confident	90.3	Very high	31 Å²	31	22.8 Å²	22.8	20%	0.201	12%	0.12	C	C	.	.	H	α-helix	trans	-48.9	-51.4	-175.3	-34.4	38.5	0	0	0	114.9	T436 V441 M442 F443 I561	T436-P439 WeakPolarHBondContact O-CD 3.45Å; P439-V441 VanDerWaalsContact C-N 3.29Å; P439-V441 PolarHBondContact O-N 3.38Å; P439-M442 PolarHBondContact O-N 2.89Å; P439-F443 PolarHBondContact O-N 3.49Å; P439-F443 VanDerWaalsContact O-N 3.14Å; P439-I561 HydrophobicContact CB-CD1 3.89Å; P439-I561 HydrophobicContact CG-CD1 4.34Å; P439-I561 WeakPolarHBondContact O-CG2 3.47Å
440	H	85.5	Confident	90.9	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-33	179	73.9	-76.4	0	0	0	113.2	F416 R418 K437 L438 R444 A498	F416-H440 VanDerWaalsContact O-CA 3.3Å; F416-H440 WeakPolarHBondContact O-CA 3.4Å; F416-H440 WeakPolarHBondContact O-CB 3.37Å; R418-H440 HydrophobicContact CB-CB 4.33Å; K437-H440 PolarHBondContact O-CE1 2.93Å; K437-H440 PolarHBondContact O-ND1 3.43Å; K437-H440 VanDerWaalsContact O-ND1 3.1Å; L438-H440 PolarHBondContact O-N 3.4Å; H440-R444 WeakPolarHBondContact O-CB 3.48Å; H440-R444 WeakPolarHBondContact O-CD 3.37Å; H440-R444 WeakPolarHBondContact O-CG 3.15Å; H440-R444 PolarHBondContact O-N 2.99Å; H440-A498 PolarHBondContact CD2-O 3.31Å
441	V	91.3	Very high	91	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.5	-47.2	176	-178.9	0	0	0	0	109.9	L424 F431 L438 P439 F443 R444 M445 A498	L424-V441 HydrophobicContact CD1-CG2 3.47Å; L424-V441 VanDerWaalsContact CD1-CG2 3.47Å; F431-V441 HydrophobicContact CB-CG1 4.02Å; F431-V441 HydrophobicContact CD1-CG1 4.12Å; F431-V441 HydrophobicContact CD2-CG1 3.32Å; F431-V441 HydrophobicContact CE1-CG1 4.43Å; F431-V441 HydrophobicContact CE2-CG1 3.68Å; F431-V441 HydrophobicContact CG-CG1 3.56Å; F431-V441 HydrophobicContact CZ-CG1 4.24Å; L438-V441 HydrophobicContact CD2-CB 4.47Å; L438-V441 HydrophobicContact CD2-CG2 4.49Å; L438-V441 WeakPolarHBondContact O-CA 3.43Å; L438-V441 WeakPolarHBondContact O-CB 3.33Å; L438-V441 PolarHBondContact O-N 3.02Å; P439-V441 VanDerWaalsContact C-N 3.29Å; P439-V441 PolarHBondContact O-N 3.38Å; V441-F443 VanDerWaalsContact C-N 3.33Å; V441-F443 PolarHBondContact O-N 2.96Å; V441-R444 PolarHBondContact O-N 2.92Å; V441-M445 HydrophobicContact CG1-CG 3.99Å; V441-M445 WeakPolarHBondContact O-CB 3.35Å; V441-M445 WeakPolarHBondContact O-CG 3.21Å; V441-M445 PolarHBondContact O-N 2.91Å; V441-A498 HydrophobicContact CG1-CB 4.4Å; V441-A498 HydrophobicContact CG2-CB 4.38Å
442	M	92.4	Very high	91.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.4	-47.3	179.9	-66.9	-61.3	167	0	0	111.9	L438 P439 M445 G446 L476 L558 I561 V562	L438-M442 HydrophobicContact CB-CE 3.89Å; L438-M442 HydrophobicContact CB-CG 4.36Å; L438-M442 HydrophobicContact CD1-CE 3.8Å; L438-M442 HydrophobicContact CG-CE 4.32Å; L438-M442 WeakPolarHBondContact O-CG 3.35Å; L438-M442 PolarHBondContact O-N 3.15Å; P439-M442 PolarHBondContact O-N 2.89Å; M442-M445 PolarHBondContact O-N 2.98Å; M442-G446 PolarHBondContact O-N 2.91Å; M442-L476 HydrophobicContact CE-CB 3.75Å; M442-L476 HydrophobicContact SD-CB 3.68Å; M442-L476 HydrophobicContact SD-CD1 3.55Å; M442-L476 VanDerWaalsContact SD-CD1 3.55Å; M442-L476 HydrophobicContact SD-CG 4.27Å; M442-L558 HydrophobicContact CE-CB 4.09Å; M442-L558 HydrophobicContact CE-CD1 3.87Å; M442-L558 HydrophobicContact CE-CD2 4.16Å; M442-L558 HydrophobicContact CE-CG 4.24Å; M442-L558 HydrophobicContact CG-CB 3.9Å; M442-L558 HydrophobicContact CG-CD2 3.58Å; M442-L558 HydrophobicContact CG-CG 4.24Å; M442-L558 HydrophobicContact SD-CB 4.1Å; M442-I561 HydrophobicContact CB-CB 4.11Å; M442-I561 HydrophobicContact CB-CG2 3.76Å; M442-V562 HydrophobicContact CB-CG2 3.88Å; M442-V562 HydrophobicContact CG-CG2 4.4Å; M442-V562 HydrophobicContact SD-CG2 3.92Å
443	F	89.5	Confident	91.4	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.022	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-50	179.6	-178.9	-101.7	0	0	0	111.5	M407 I412 F416 P439 V441 M445 G446 I447 I561 A564 G565 I568	M407-F443 HydrophobicContact CE-CZ 4.5Å; I412-F443 HydrophobicContact CD1-CE1 4.01Å; I412-F443 HydrophobicContact CG1-CE1 4.09Å; I412-F443 HydrophobicContact CG1-CZ 4.18Å; I412-F443 HydrophobicContact CG2-CE1 3.99Å; I412-F443 HydrophobicContact CG2-CZ 4.17Å; F416-F443 HydrophobicContact CB-CB 4.22Å; F416-F443 HydrophobicContact CB-CG 4.23Å; F416-F443 HydrophobicContact CD2-CD2 4.3Å; F416-F443 HydrophobicContact CG-CD2 4.42Å; P439-F443 PolarHBondContact O-N 3.49Å; P439-F443 VanDerWaalsContact O-N 3.14Å; V441-F443 VanDerWaalsContact C-N 3.33Å; V441-F443 PolarHBondContact O-N 2.96Å; F443-M445 VanDerWaalsContact C-N 3.33Å; F443-M445 PolarHBondContact O-N 3.1Å; F443-G446 PolarHBondContact O-N 2.81Å; F443-I447 HydrophobicContact CD1-CD1 4.24Å; F443-I447 HydrophobicContact CE1-CD1 3.83Å; F443-I447 HydrophobicContact CZ-CD1 4.38Å; F443-I447 PolarHBondContact O-N 3.46Å; F443-I561 HydrophobicContact CB-CG2 3.71Å; F443-A564 HydrophobicContact CD2-CB 4.28Å; F443-A564 HydrophobicContact CE2-CB 4.26Å; F443-G565 WeakPolarHBondContact O-CA 3.36Å; F443-I568 HydrophobicContact CE1-CD1 4.41Å; F443-I568 HydrophobicContact CZ-CD1 3.75Å
444	R	90.4	Very high	91.7	Very high	11 Å²	11	19.3 Å²	19.3	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-37.4	179.3	-69.5	174	-171.3	-160.4	3.6	111.8	H440 V441 G446 I447 L448 F497 A498 C500 L524	H440-R444 WeakPolarHBondContact O-CB 3.48Å; H440-R444 WeakPolarHBondContact O-CD 3.37Å; H440-R444 WeakPolarHBondContact O-CG 3.15Å; H440-R444 PolarHBondContact O-N 2.99Å; V441-R444 PolarHBondContact O-N 2.92Å; R444-G446 VanDerWaalsContact C-N 3.33Å; R444-I447 WeakPolarHBondContact O-CB 3.25Å; R444-I447 PolarHBondContact O-N 2.68Å; R444-L448 PolarHBondContact O-N 3.22Å; R444-F497 HydrophobicContact CB-CD1 3.71Å; R444-F497 HydrophobicContact CB-CE1 3.62Å; R444-F497 WeakPolarHBondContact CD-O 3.28Å; R444-F497 HydrophobicContact CG-CD1 4.39Å; R444-F497 HydrophobicContact CG-CE1 4.11Å; R444-F497 PolarHBondContact NH1-O 2.92Å; R444-F497 WeakPolarHBondContact O-CE1 3.4Å; R444-A498 PolarHBondContact NH1-O 3.06Å; R444-C500 PolarHBondContact NH1-O 3.27Å; R444-C500 PolarHBondContact NH2-O 3.26Å; R444-L524 HydrophobicContact CG-CD2 4.27Å
445	M	94.5	Very high	91.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-71.1	-29.3	177.4	-67.1	-59.9	103.3	0	0	112.8	F431 V441 M442 F443 I447 L448 A449 L476 M478 A494 F497 A498	F431-M445 HydrophobicContact CD2-CG 4.16Å; F431-M445 HydrophobicContact CD2-SD 4.27Å; F431-M445 HydrophobicContact CE2-CE 4.13Å; F431-M445 HydrophobicContact CE2-CG 4Å; F431-M445 HydrophobicContact CE2-SD 3.65Å; V441-M445 HydrophobicContact CG1-CG 3.99Å; V441-M445 WeakPolarHBondContact O-CB 3.35Å; V441-M445 WeakPolarHBondContact O-CG 3.21Å; V441-M445 PolarHBondContact O-N 2.91Å; M442-M445 PolarHBondContact O-N 2.98Å; F443-M445 VanDerWaalsContact C-N 3.33Å; F443-M445 PolarHBondContact O-N 3.1Å; M445-I447 VanDerWaalsContact C-N 3.34Å; M445-L448 HydrophobicContact CE-CB 4.26Å; M445-L448 HydrophobicContact CE-CD2 3.77Å; M445-L448 PolarHBondContact O-N 3.1Å; M445-L448 HydrophobicContact SD-CD2 3.88Å; M445-A449 WeakPolarHBondContact O-CB 3.18Å; M445-A449 PolarHBondContact O-N 2.96Å; M445-L476 HydrophobicContact CB-CD1 3.81Å; M445-L476 HydrophobicContact CB-CD2 3.69Å; M445-L476 HydrophobicContact CB-CG 4.44Å; M445-L476 HydrophobicContact CG-CD2 3.75Å; M445-M478 HydrophobicContact SD-SD 4.11Å; M445-A494 HydrophobicContact CE-CB 4.15Å; M445-A494 HydrophobicContact SD-CB 3.88Å; M445-F497 HydrophobicContact CE-CD1 4.01Å; M445-A498 HydrophobicContact CE-CB 4.44Å
446	G	92.9	Very high	92.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.3	-46.7	167.5	0	0	0	0	0	112	M442 F443 R444 A449 V450 G565 V566	M442-G446 PolarHBondContact O-N 2.91Å; F443-G446 PolarHBondContact O-N 2.81Å; R444-G446 VanDerWaalsContact C-N 3.33Å; G446-A449 PolarHBondContact O-N 3.41Å; G446-V450 PolarHBondContact O-N 2.98Å; G446-G565 CarbonylContact C-O 3.43Å; G446-V566 WeakPolarHBondContact O-CG2 3.38Å
447	I	91.5	Very high	92.4	Very high	8 Å²	8	16.4 Å²	16.4	4%	0.041	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-49.5	177	-63.4	170.1	0	0	0	110.7	F443 R444 M445 A449 V450 L451 F497 I528 G565 I568 V569	F443-I447 HydrophobicContact CD1-CD1 4.24Å; F443-I447 HydrophobicContact CE1-CD1 3.83Å; F443-I447 HydrophobicContact CZ-CD1 4.38Å; F443-I447 PolarHBondContact O-N 3.46Å; R444-I447 WeakPolarHBondContact O-CB 3.25Å; R444-I447 PolarHBondContact O-N 2.68Å; M445-I447 VanDerWaalsContact C-N 3.34Å; I447-A449 VanDerWaalsContact C-N 3.28Å; I447-A449 PolarHBondContact O-N 3.4Å; I447-V450 PolarHBondContact O-N 2.82Å; I447-V450 VanDerWaalsContact O-N 3.13Å; I447-L451 PolarHBondContact O-N 3.39Å; I447-F497 HydrophobicContact CB-CE1 4.17Å; I447-F497 HydrophobicContact CB-CZ 4.45Å; I447-F497 HydrophobicContact CD1-CZ 4.49Å; I447-F497 HydrophobicContact CG2-CE1 4.25Å; I447-F497 HydrophobicContact CG2-CZ 4.15Å; I447-I528 HydrophobicContact CG2-CD1 4.04Å; I447-I528 HydrophobicContact CG2-CG1 4.42Å; I447-G565 WeakPolarHBondContact CA-O 3.37Å; I447-G565 WeakPolarHBondContact CG1-O 3.39Å; I447-G565 PolarHBondContact N-O 3.38Å; I447-G565 VanDerWaalsContact N-O 3.11Å; I447-I568 HydrophobicContact CD1-CD1 4.28Å; I447-I568 HydrophobicContact CD1-CG2 4.41Å; I447-I568 HydrophobicContact CG1-CG2 3.96Å; I447-V569 HydrophobicContact CG1-CG1 4.29Å; I447-V569 HydrophobicContact CG2-CG1 3.91Å; I447-V569 HydrophobicContact CG2-CG2 4.39Å
448	L	94.1	Very high	92.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-35.8	-177.1	-169.5	68.1	0	0	0	112.1	R444 M445 V450 L451 R452 M478 W490 A494 F497 I531	R444-L448 PolarHBondContact O-N 3.22Å; M445-L448 HydrophobicContact CE-CB 4.26Å; M445-L448 HydrophobicContact CE-CD2 3.77Å; M445-L448 PolarHBondContact O-N 3.1Å; M445-L448 HydrophobicContact SD-CD2 3.88Å; L448-V450 VanDerWaalsContact C-N 3.33Å; L448-V450 PolarHBondContact O-N 2.72Å; L448-L451 PolarHBondContact O-N 2.84Å; L448-R452 PolarHBondContact O-N 2.72Å; L448-M478 HydrophobicContact CD2-SD 4.12Å; L448-M478 HydrophobicContact CG-CE 4.46Å; L448-M478 HydrophobicContact CG-SD 4.46Å; L448-W490 HydrophobicContact CD1-CE3 3.91Å; L448-W490 HydrophobicContact CD1-CZ3 3.52Å; L448-W490 HydrophobicContact CD2-CE3 4.41Å; L448-W490 HydrophobicContact CG-CE3 4Å; L448-W490 HydrophobicContact CG-CZ3 3.84Å; L448-A494 HydrophobicContact CD2-CB 3.58Å; L448-F497 HydrophobicContact CB-CD1 4.36Å; L448-I531 HydrophobicContact CD1-CD1 3.9Å
449	A	96.4	Very high	93	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.5	-35.4	176.2	0	0	0	0	0	113.1	M445 G446 I447 R452 A453 V460 I462 M478 V545	M445-A449 WeakPolarHBondContact O-CB 3.18Å; M445-A449 PolarHBondContact O-N 2.96Å; G446-A449 PolarHBondContact O-N 3.41Å; I447-A449 VanDerWaalsContact C-N 3.28Å; I447-A449 PolarHBondContact O-N 3.4Å; A449-R452 PolarHBondContact O-N 3.46Å; A449-A453 WeakPolarHBondContact O-CB 3.48Å; A449-A453 PolarHBondContact O-N 3.2Å; A449-V460 HydrophobicContact CB-CG1 4.06Å; A449-I462 HydrophobicContact CB-CD1 3.67Å; A449-I462 HydrophobicContact CB-CG1 4.08Å; A449-M478 HydrophobicContact CB-CE 3.84Å; A449-V545 HydrophobicContact CB-CG1 4.05Å; A449-V545 HydrophobicContact CB-CG2 3.8Å
450	V	94.9	Very high	93.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-42.9	174	177.7	0	0	0	0	110.9	G446 I447 L448 R452 A453 R454 V545 V566 V569	G446-V450 PolarHBondContact O-N 2.98Å; I447-V450 PolarHBondContact O-N 2.82Å; I447-V450 VanDerWaalsContact O-N 3.13Å; L448-V450 VanDerWaalsContact C-N 3.33Å; L448-V450 PolarHBondContact O-N 2.72Å; V450-R452 VanDerWaalsContact C-N 3.3Å; V450-R452 PolarHBondContact O-N 2.89Å; V450-A453 PolarHBondContact O-N 2.76Å; V450-R454 WeakPolarHBondContact O-CG 3.47Å; V450-R454 PolarHBondContact O-N 2.77Å; V450-V545 HydrophobicContact CG2-CG2 3.86Å; V450-V566 HydrophobicContact CG2-CB 4.13Å; V450-V566 HydrophobicContact CG2-CG1 3.73Å; V450-V566 HydrophobicContact CG2-CG2 4.17Å; V450-V569 HydrophobicContact CB-CG2 3.71Å; V450-V569 HydrophobicContact CG1-CG2 3.85Å; V450-V569 HydrophobicContact CG2-CG2 3.78Å
451	L	94.3	Very high	94	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-60	-43	175.3	-62.9	178.8	0	0	0	111.2	I447 L448 R454 Q455 W490 I528 I531 V532 I537 M539	I447-L451 PolarHBondContact O-N 3.39Å; L448-L451 PolarHBondContact O-N 2.84Å; L451-R454 PolarHBondContact O-N 3.39Å; L451-Q455 WeakPolarHBondContact O-CB 3.28Å; L451-Q455 PolarHBondContact O-N 3.41Å; L451-W490 HydrophobicContact CB-CH2 4.1Å; L451-W490 HydrophobicContact CB-CZ3 4.37Å; L451-I528 HydrophobicContact CD1-CG2 4.23Å; L451-I531 HydrophobicContact CD1-CG2 4.2Å; L451-V532 HydrophobicContact CD2-CG2 4.01Å; L451-I537 HydrophobicContact CB-CD1 4.09Å; L451-M539 HydrophobicContact CD2-CE 4.39Å; L451-M539 HydrophobicContact CD2-SD 3.92Å
452	R	96.2	Very high	94.3	Very high	25 Å²	25	13.7 Å²	13.7	9%	0.094	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-41.6	176.4	-174.3	56.6	173.9	171.8	-1.1	112.4	L448 A449 V450 Q455 T456 V460 M478 D480 L486 V487 W490	L448-R452 PolarHBondContact O-N 2.72Å; A449-R452 PolarHBondContact O-N 3.46Å; V450-R452 VanDerWaalsContact C-N 3.3Å; V450-R452 PolarHBondContact O-N 2.89Å; R452-Q455 PolarHBondContact O-N 3.19Å; R452-T456 WeakPolarHBondContact O-CG2 3.27Å; R452-T456 PolarHBondContact O-N 3.5Å; R452-T456 PolarHBondContact O-OG1 3.27Å; R452-V460 HydrophobicContact CB-CG2 4.16Å; R452-V460 HydrophobicContact CG-CG2 3.89Å; R452-M478 HydrophobicContact CB-CE 4.25Å; R452-D480 IonicContact CZ-OD1 3.73Å; R452-D480 IonicContact CZ-OD2 3.04Å; R452-D480 IonicContact NE-OD1 3.6Å; R452-D480 PolarHBondContact NE-OD1 2.99Å; R452-D480 IonicContact NE-OD2 3.37Å; R452-D480 VanDerWaalsContact NH2-CG 3.3Å; R452-D480 IonicContact NH2-OD1 2.7Å; R452-D480 PolarHBondContact NH2-OD1 3.23Å; R452-D480 IonicContact NH2-OD2 3.74Å; R452-D480 PolarHBondContact NH2-OD2 3.1Å; R452-L486 HydrophobicContact CG-CD1 4.43Å; R452-V487 VanDerWaalsContact NH2-CG2 3.32Å; R452-W490 HydrophobicContact CB-CE3 4.04Å; R452-W490 HydrophobicContact CB-CH2 3.94Å; R452-W490 HydrophobicContact CB-CZ3 3.63Å; R452-W490 HydrophobicContact CG-CE3 4.37Å; R452-W490 HydrophobicContact CG-CZ3 4.38Å
453	A	96	Very high	94.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	-43.2	176.5	0	0	0	0	0	111.4	A449 V450 T456 G457 G458 V460	A449-A453 WeakPolarHBondContact O-CB 3.48Å; A449-A453 PolarHBondContact O-N 3.2Å; V450-A453 PolarHBondContact O-N 2.76Å; A453-T456 PolarHBondContact O-N 2.75Å; A453-T456 PolarHBondContact O-OG1 3.08Å; A453-G457 WeakPolarHBondContact O-CA 3.32Å; A453-G457 PolarHBondContact O-N 2.69Å; A453-G458 WeakPolarHBondContact CA-O 3.4Å; A453-G458 WeakPolarHBondContact CB-O 3.35Å; A453-V460 HydrophobicContact CB-CB 4.24Å; A453-V460 HydrophobicContact CB-CG2 3.83Å
454	R	94.9	Very high	95	Very high	21 Å²	21	13.5 Å²	13.5	8%	0.079	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-42.2	175.5	-74.1	-179.7	171.5	148.4	10.4	113	V450 L451 I537 M539 A541 V569	V450-R454 WeakPolarHBondContact O-CG 3.47Å; V450-R454 PolarHBondContact O-N 2.77Å; L451-R454 PolarHBondContact O-N 3.39Å; R454-I537 HydrophobicContact CB-CG2 3.57Å; R454-M539 PolarHBondContact NE-O 3.22Å; R454-A541 HydrophobicContact CB-CB 4.4Å; R454-A541 HydrophobicContact CG-CB 4.2Å; R454-A541 WeakPolarHBondContact CG-O 3.07Å; R454-A541 PolarHBondContact NE-O 2.93Å; R454-V569 PolarHBondContact NH1-O 3.03Å; R454-V569 PolarHBondContact NH2-O 3.2Å
455	Q	94.6	Very high	95.2	Very high	61 Å²	61	13.1 Å²	13.1	29%	0.285	9%	0.087	S	C	.	.	H	α-helix	trans	-62.5	-44.4	178.4	-174.5	-155.3	9.3	0	0	111.7	L451 R452 W490 F535 I537	L451-Q455 WeakPolarHBondContact O-CB 3.28Å; L451-Q455 PolarHBondContact O-N 3.41Å; R452-Q455 PolarHBondContact O-N 3.19Å; Q455-W490 VanDerWaalsContact OE1-CE2 3.26Å; Q455-F535 HydrophobicContact CG-CB 4.16Å; Q455-I537 HydrophobicContact CB-CD1 4.26Å; Q455-I537 HydrophobicContact CB-CG1 4.11Å; Q455-I537 HydrophobicContact CG-CG1 4.39Å
456	T	93.6	Very high	95.2	Very high	56 Å²	56	13.1 Å²	13.1	34%	0.344	9%	0.087	S	C	.	.	H	α-helix	trans	-87.3	-17.6	-173.6	55.9	0	0	0	0	113.2	R452 A453 G458 P481	R452-T456 WeakPolarHBondContact O-CG2 3.27Å; R452-T456 PolarHBondContact O-N 3.5Å; R452-T456 PolarHBondContact O-OG1 3.27Å; A453-T456 PolarHBondContact O-N 2.75Å; A453-T456 PolarHBondContact O-OG1 3.08Å; T456-G458 PolarHBondContact O-N 2.97Å; T456-G458 PolarHBondContact OG1-N 3.29Å; T456-P481 HydrophobicContact CG2-CG 4.24Å; T456-P481 WeakPolarHBondContact OG1-CG 3.4Å
457	G	92.7	Very high	95.2	Very high	71 Å²	71	13.1 Å²	13.1	73%	0.732	9%	0.087	S	C	*	.	S	Bend	trans	68.6	6.3	-171.5	0	0	0	0	0	113.8	A453	A453-G457 WeakPolarHBondContact O-CA 3.32Å; A453-G457 PolarHBondContact O-N 2.69Å
458	G	93	Very high	95.2	Very high	11 Å²	11	14.2 Å²	14.2	11%	0.113	9%	0.092	C	C	.	.	S	Bend	trans	-110.3	167	-177.7	0	0	0	0	0	112.8	A453 T456 N592	A453-G458 WeakPolarHBondContact CA-O 3.4Å; A453-G458 WeakPolarHBondContact CB-O 3.35Å; T456-G458 PolarHBondContact O-N 2.97Å; T456-G458 PolarHBondContact OG1-N 3.29Å; G458-N592 VanDerWaalsContact CA-OD1 3.26Å; G458-N592 WeakPolarHBondContact CA-OD1 3.45Å
459	T	96.1	Very high	95	Very high	18 Å²	18	15.3 Å²	15.3	11%	0.11	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-75	129	170.9	-58.8	0	0	0	0	110	T544 C546 I588 N592	T459-T544 WeakPolarHBondContact CA-O 3.23Å; T459-T544 HydrophobicContact CG2-CG2 3.95Å; T459-C546 HydrophobicContact CG2-CB 4.44Å; T459-C546 WeakPolarHBondContact CG2-SG 3.25Å; T459-I588 HydrophobicContact CG2-CD1 3.89Å; T459-N592 PolarHBondContact N-OD1 3.21Å; T459-N592 PolarHBondContact O-ND2 2.87Å
460	V	97.4	Very high	94.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.7	176.9	171.3	0	0	0	0	109.7	A449 R452 A453 M478 I479 P481 T544 V545 C546	A449-V460 HydrophobicContact CB-CG1 4.06Å; R452-V460 HydrophobicContact CB-CG2 4.16Å; R452-V460 HydrophobicContact CG-CG2 3.89Å; A453-V460 HydrophobicContact CB-CB 4.24Å; A453-V460 HydrophobicContact CB-CG2 3.83Å; V460-M478 HydrophobicContact CG1-CE 4.26Å; V460-I479 WeakPolarHBondContact CG1-O 3.38Å; V460-P481 HydrophobicContact CG2-CG 4.31Å; V460-T544 PolarHBondContact N-O 3.13Å; V460-V545 CarbonylContact O-C 3.6Å; V460-V545 VanDerWaalsContact O-CA 3.3Å; V460-V545 WeakPolarHBondContact O-CA 3.44Å; V460-C546 PolarHBondContact O-N 3.42Å
461	G	97.5	Very high	94.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	149.8	176.6	0	0	0	0	0	113.4	M478 I479 C546	G461-M478 CarbonylContact O-C 3.49Å; G461-M478 WeakPolarHBondContact O-CA 3.41Å; G461-I479 PolarHBondContact N-O 2.97Å; G461-I479 PolarHBondContact O-N 3.43Å; G461-C546 CarbonylContact C-O 3.39Å; G461-C546 VanDerWaalsContact CA-O 3.3Å; G461-C546 WeakPolarHBondContact CA-O 3.49Å
462	I	98	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.9	165.8	-69.8	178	0	0	0	108.4	A449 I464 L476 V545 C546 C547 A548 V562 L584	A449-I462 HydrophobicContact CB-CD1 3.67Å; A449-I462 HydrophobicContact CB-CG1 4.08Å; I462-I464 HydrophobicContact CG2-CG1 4.23Å; I462-L476 HydrophobicContact CD1-CD1 4.48Å; I462-L476 HydrophobicContact CG2-CD1 3.36Å; I462-L476 HydrophobicContact CG2-CG 3.75Å; I462-V545 HydrophobicContact CD1-CG1 3.84Å; I462-V545 HydrophobicContact CG1-CG1 4.02Å; I462-C546 PolarHBondContact N-O 3.24Å; I462-C547 HydrophobicContact CB-CB 4.47Å; I462-C547 VanDerWaalsContact O-CA 3.32Å; I462-C547 WeakPolarHBondContact O-CA 3.25Å; I462-A548 PolarHBondContact O-N 3.33Å; I462-V562 HydrophobicContact CB-CG1 4.48Å; I462-V562 HydrophobicContact CD1-CG1 3.44Å; I462-V562 VanDerWaalsContact CD1-CG1 3.44Å; I462-V562 HydrophobicContact CG2-CG1 4.12Å; I462-V562 HydrophobicContact CG2-CG2 4.35Å; I462-L584 WeakPolarHBondContact O-CD2 3.46Å
463	M	97.8	Very high	94	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.3	172.2	-174.6	62.1	-172	0	0	110.1	T465 L476 K477 I479 A548 D550 L579 L584	M463-T465 HydrophobicContact CE-CG2 4.23Å; M463-T465 HydrophobicContact CG-CG2 3.73Å; M463-L476 WeakPolarHBondContact O-CA 3.43Å; M463-K477 HydrophobicContact CB-CD 4.34Å; M463-K477 HydrophobicContact CB-CG 3.75Å; M463-K477 PolarHBondContact N-O 3.08Å; M463-K477 PolarHBondContact O-N 3.11Å; M463-I479 HydrophobicContact CB-CD1 4.36Å; M463-A548 HydrophobicContact SD-CB 4.07Å; M463-D550 HydrophobicContact CE-CB 4.44Å; M463-L579 WeakPolarHBondContact CE-O 3.48Å; M463-L584 HydrophobicContact CB-CD2 3.92Å; M463-L584 HydrophobicContact SD-CB 4.46Å; M463-L584 HydrophobicContact SD-CD2 4.14Å
464	I	97.4	Very high	93.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.1	176.2	-59.3	172.9	0	0	0	108.9	I462 G475 A548 R549 D550 L558 F559 V562	I462-I464 HydrophobicContact CG2-CG1 4.23Å; I464-G475 CarbonylContact C-O 3.52Å; I464-G475 VanDerWaalsContact CA-O 3.31Å; I464-G475 WeakPolarHBondContact CA-O 3.32Å; I464-A548 PolarHBondContact N-O 3.29Å; I464-R549 HydrophobicContact CB-CB 3.91Å; I464-R549 HydrophobicContact CG2-CB 4.38Å; I464-R549 VanDerWaalsContact O-CA 3.28Å; I464-R549 WeakPolarHBondContact O-CA 3.31Å; I464-D550 PolarHBondContact O-N 3.49Å; I464-L558 HydrophobicContact CD1-CB 4.39Å; I464-L558 HydrophobicContact CG2-CB 4.14Å; I464-L558 HydrophobicContact CG2-CD1 4.46Å; I464-F559 HydrophobicContact CD1-CB 3.83Å; I464-F559 HydrophobicContact CD1-CD2 4.09Å; I464-F559 HydrophobicContact CD1-CG 4.4Å; I464-V562 HydrophobicContact CD1-CG2 3.96Å
465	T	96	Very high	93.9	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.025	16%	0.161	C	C	.	.			trans	-166.7	154.5	-179.5	-177.1	0	0	0	0	111	M463 S467 N474 G475 D550 D703	M463-T465 HydrophobicContact CE-CG2 4.23Å; M463-T465 HydrophobicContact CG-CG2 3.73Å; T465-S467 PolarHBondContact OG1-N 3.1Å; T465-N474 WeakPolarHBondContact CA-OD1 3.45Å; T465-N474 PolarHBondContact N-OD1 3.28Å; T465-G475 PolarHBondContact N-O 3.17Å; T465-G475 CarbonylContact O-C 3.49Å; T465-G475 VanDerWaalsContact O-CA 3.27Å; T465-G475 WeakPolarHBondContact O-CA 3.27Å; T465-G475 PolarHBondContact O-N 3.4Å; T465-D550 WeakPolarHBondContact CA-OD2 3.31Å; T465-D550 VanDerWaalsContact CB-OD2 3.28Å; T465-D550 WeakPolarHBondContact CB-OD2 3.35Å; T465-D550 PolarHBondContact OG1-OD2 3.19Å; T465-D703 HydrophobicContact CG2-CB 4.39Å; T465-D703 WeakPolarHBondContact OG1-CB 3.4Å
466	A	94	Very high	93.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	15%	0.148	C	C	.	.			trans	-114.9	18.5	161.7	0	0	0	0	0	113.9	R432 H468 N469 D473	R432-A466 PolarHBondContact NH1-O 3.11Å; A466-H468 PolarHBondContact O-N 3.3Å; A466-N469 HydrophobicContact CB-CB 3.73Å; A466-N469 VanDerWaalsContact O-CB 3.3Å; A466-N469 WeakPolarHBondContact O-CB 3.47Å; A466-N469 PolarHBondContact O-N 2.9Å; A466-N469 PolarHBondContact O-OD1 3.08Å; A466-N469 VanDerWaalsContact O-OD1 3.07Å; A466-D473 HydrophobicContact CB-CB 4.28Å
467	S	93.5	Very high	93.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	-123.3	172	161.9	0	0	0	0	111.1	T465 N469 R552 N667 D701 D703	T465-S467 PolarHBondContact OG1-N 3.1Å; S467-N469 VanDerWaalsContact C-N 3.27Å; S467-N469 PolarHBondContact O-N 3.49Å; S467-R552 PolarHBondContact O-NH2 3.09Å; S467-N667 PolarHBondContact O-ND2 3.22Å; S467-D701 PolarHBondContact OG-OD2 3.47Å; S467-D703 WeakPolarHBondContact CA-OD1 3.32Å; S467-D703 WeakPolarHBondContact CB-OD1 3.22Å; S467-D703 PolarHBondContact OG-OD1 3.45Å
468	H	91.2	Very high	94.1	Very high	30 Å²	30	14.9 Å²	14.9	14%	0.139	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-7.9	178	67.7	-73.4	0	0	0	116.5	R432 A466 N667 D673 R706	R432-H468 PolarHBondContact NH1-CE1 2.81Å; A466-H468 PolarHBondContact O-N 3.3Å; H468-N667 VanDerWaalsContact C-ND2 3.33Å; H468-N667 WeakPolarHBondContact CA-ND2 3.32Å; H468-N667 PolarHBondContact O-ND2 2.94Å; H468-D673 HydrophobicContact CB-CB 3.74Å; H468-D673 IonicContact CD2-OD1 2.91Å; H468-D673 IonicContact CD2-OD2 3.76Å; H468-R706 PolarHBondContact ND1-NH1 3.27Å
469	N	90.3	Very high	94.3	Very high	23 Å²	23	14.3 Å²	14.3	12%	0.123	9%	0.092	C	C	.	.	S	Bend	trans	-64.7	159.3	-178.5	-78.1	62.9	0	0	0	112.4	R432 A466 S467 D473 R552 N667	R432-N469 PolarHBondContact NH1-OD1 2.92Å; A466-N469 HydrophobicContact CB-CB 3.73Å; A466-N469 VanDerWaalsContact O-CB 3.3Å; A466-N469 WeakPolarHBondContact O-CB 3.47Å; A466-N469 PolarHBondContact O-N 2.9Å; A466-N469 PolarHBondContact O-OD1 3.08Å; A466-N469 VanDerWaalsContact O-OD1 3.07Å; S467-N469 VanDerWaalsContact C-N 3.27Å; S467-N469 PolarHBondContact O-N 3.49Å; N469-D473 HydrophobicContact CB-CB 3.97Å; N469-D473 PolarHBondContact ND2-OD2 3.43Å; N469-R552 PolarHBondContact O-NH2 3.23Å; N469-N667 PolarHBondContact O-ND2 3.42Å
470	P	89.8	Confident	94.2	Very high	87 Å²	87	13.8 Å²	13.8	57%	0.565	9%	0.089	S	C	*	.			trans	-58.8	155.2	172.5	-22.6	34	0	0	0	112.9	G472 D473 R552	P470-G472 VanDerWaalsContact C-N 3.26Å; P470-G472 PolarHBondContact O-N 2.99Å; P470-G472 VanDerWaalsContact O-N 3.12Å; P470-D473 PolarHBondContact O-N 3.36Å; P470-R552 PolarHBondContact O-NH1 3.21Å
471	I	90.6	Very high	94.1	Very high	50 Å²	50	14.9 Å²	14.9	26%	0.256	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.2	-173.3	-165.7	170.5	0	0	0	115.5	D473 P553 D664 L666	I471-D473 VanDerWaalsContact C-N 3.26Å; I471-D473 PolarHBondContact O-N 3.49Å; I471-P553 HydrophobicContact CD1-CG 4.19Å; I471-D664 HydrophobicContact CD1-CB 4.36Å; I471-L666 HydrophobicContact CB-CB 4.35Å; I471-L666 HydrophobicContact CD1-CB 4.43Å; I471-L666 HydrophobicContact CG1-CB 4.42Å
472	G	88.2	Confident	93.9	Very high	51 Å²	51	17.4 Å²	17.4	53%	0.526	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.1	179	0	0	0	0	0	114.9	A435 P470	A435-G472 PolarHBondContact N-O 2.88Å; A435-G472 VanDerWaalsContact N-O 3.12Å; P470-G472 VanDerWaalsContact C-N 3.26Å; P470-G472 PolarHBondContact O-N 2.99Å; P470-G472 VanDerWaalsContact O-N 3.12Å
473	D	92.1	Very high	93.6	Very high	32 Å²	32	17.4 Å²	17.4	17%	0.171	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	159.3	173.2	-65.3	-12.9	0	0	0	110.6	A466 N469 P470 I471 R552	A466-D473 HydrophobicContact CB-CB 4.28Å; N469-D473 HydrophobicContact CB-CB 3.97Å; N469-D473 PolarHBondContact ND2-OD2 3.43Å; P470-D473 PolarHBondContact O-N 3.36Å; I471-D473 VanDerWaalsContact C-N 3.26Å; I471-D473 PolarHBondContact O-N 3.49Å; D473-R552 WeakPolarHBondContact O-CD 3.13Å; D473-R552 PolarHBondContact O-NH1 2.89Å
474	N	93.7	Very high	93.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	-173.9	162.1	-149.1	-34.6	0	0	0	108.7	R432 E433 A435 L438 T465 S554 G555 L558	R432-N474 WeakPolarHBondContact CA-O 2.93Å; E433-N474 PolarHBondContact N-O 2.8Å; E433-N474 VanDerWaalsContact N-O 3.12Å; E433-N474 PolarHBondContact O-N 2.94Å; A435-N474 HydrophobicContact CB-CB 4.01Å; L438-N474 HydrophobicContact CD1-CB 3.98Å; L438-N474 VanDerWaalsContact CD1-O 3.32Å; L438-N474 WeakPolarHBondContact CD1-O 3.3Å; T465-N474 WeakPolarHBondContact CA-OD1 3.45Å; T465-N474 PolarHBondContact N-OD1 3.28Å; N474-S554 PolarHBondContact ND2-OG 2.92Å; N474-G555 PolarHBondContact ND2-N 3.44Å; N474-L558 HydrophobicContact CB-CD1 3.62Å
475	G	93.8	Very high	93	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	175.1	-178.1	0	0	0	0	0	112.2	F431 I464 T465	F431-G475 CarbonylContact O-C 3.53Å; F431-G475 WeakPolarHBondContact O-CA 3.44Å; I464-G475 CarbonylContact C-O 3.52Å; I464-G475 VanDerWaalsContact CA-O 3.31Å; I464-G475 WeakPolarHBondContact CA-O 3.32Å; T465-G475 PolarHBondContact N-O 3.17Å; T465-G475 CarbonylContact O-C 3.49Å; T465-G475 VanDerWaalsContact O-CA 3.27Å; T465-G475 WeakPolarHBondContact O-CA 3.27Å; T465-G475 PolarHBondContact O-N 3.4Å
476	L	95.5	Very high	92.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	134.8	174.5	171.2	151.9	0	0	0	109.2	G430 F431 M442 M445 I462 M463 M478 V562	G430-L476 CarbonylContact C-O 3.55Å; G430-L476 VanDerWaalsContact CA-O 3.3Å; G430-L476 WeakPolarHBondContact CA-O 3.22Å; F431-L476 PolarHBondContact N-O 2.8Å; F431-L476 PolarHBondContact O-N 3.26Å; M442-L476 HydrophobicContact CE-CB 3.75Å; M442-L476 HydrophobicContact SD-CB 3.68Å; M442-L476 HydrophobicContact SD-CD1 3.55Å; M442-L476 VanDerWaalsContact SD-CD1 3.55Å; M442-L476 HydrophobicContact SD-CG 4.27Å; M445-L476 HydrophobicContact CB-CD1 3.81Å; M445-L476 HydrophobicContact CB-CD2 3.69Å; M445-L476 HydrophobicContact CB-CG 4.44Å; M445-L476 HydrophobicContact CG-CD2 3.75Å; I462-L476 HydrophobicContact CD1-CD1 4.48Å; I462-L476 HydrophobicContact CG2-CD1 3.36Å; I462-L476 HydrophobicContact CG2-CG 3.75Å; M463-L476 WeakPolarHBondContact O-CA 3.43Å; L476-M478 HydrophobicContact CD2-CG 4.12Å; L476-V562 HydrophobicContact CD1-CG2 3.79Å
477	K	94.3	Very high	92.6	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.5	166.8	61	-173	172.3	-158.6	0	110.5	M463 M485 T581 D703 D705	M463-K477 HydrophobicContact CB-CD 4.34Å; M463-K477 HydrophobicContact CB-CG 3.75Å; M463-K477 PolarHBondContact N-O 3.08Å; M463-K477 PolarHBondContact O-N 3.11Å; K477-M485 HydrophobicContact CB-CE 4.16Å; K477-M485 HydrophobicContact CD-CE 4.3Å; K477-M485 HydrophobicContact CD-SD 4.46Å; K477-T581 WeakPolarHBondContact CE-OG1 3.39Å; K477-T581 PolarHBondContact NZ-OG1 3.35Å; K477-D703 IonicContact NZ-OD2 2.69Å; K477-D705 IonicContact NZ-OD2 2.97Å
478	M	96.3	Very high	92.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	144.9	172.2	-65.7	177.7	61.1	0	0	110.3	Y426 M445 L448 A449 R452 V460 G461 L476 L486	Y426-M478 PolarHBondContact OH-N 3.41Å; M445-M478 HydrophobicContact SD-SD 4.11Å; L448-M478 HydrophobicContact CD2-SD 4.12Å; L448-M478 HydrophobicContact CG-CE 4.46Å; L448-M478 HydrophobicContact CG-SD 4.46Å; A449-M478 HydrophobicContact CB-CE 3.84Å; R452-M478 HydrophobicContact CB-CE 4.25Å; V460-M478 HydrophobicContact CG1-CE 4.26Å; G461-M478 CarbonylContact O-C 3.49Å; G461-M478 WeakPolarHBondContact O-CA 3.41Å; L476-M478 HydrophobicContact CD2-CG 4.12Å; M478-L486 HydrophobicContact CB-CB 4.17Å; M478-L486 HydrophobicContact CB-CD1 4.33Å; M478-L486 HydrophobicContact CB-CD2 4.23Å; M478-L486 HydrophobicContact CB-CG 4.49Å; M478-L486 HydrophobicContact CE-CD1 4.14Å; M478-L486 PolarHBondContact O-N 3.22Å; M478-L486 HydrophobicContact SD-CD2 4.03Å
479	I	96.3	Very high	92.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.2	-177.2	-52.3	172.3	0	0	0	107.7	V460 G461 M463 E484 L584 H585 I588	V460-I479 WeakPolarHBondContact CG1-O 3.38Å; G461-I479 PolarHBondContact N-O 2.97Å; G461-I479 PolarHBondContact O-N 3.43Å; M463-I479 HydrophobicContact CB-CD1 4.36Å; I479-E484 CarbonylContact C-O 3.39Å; I479-E484 WeakPolarHBondContact CA-O 3.31Å; I479-L584 HydrophobicContact CD1-CB 4.23Å; I479-L584 HydrophobicContact CD1-CD2 3.66Å; I479-L584 HydrophobicContact CD1-CG 3.74Å; I479-H585 WeakPolarHBondContact CD1-CD2 3.26Å; I479-I588 HydrophobicContact CG2-CB 4.21Å; I479-I588 HydrophobicContact CG2-CG1 4.34Å; I479-I588 HydrophobicContact CG2-CG2 4.05Å
480	D	94.9	Very high	92.3	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.037	19%	0.189	C	C	.	.			trans	-73.2	163.1	178.8	-94	-24.3	0	0	0	111.9	R452 S482 G483 E484 V487 I588	R452-D480 IonicContact CZ-OD1 3.73Å; R452-D480 IonicContact CZ-OD2 3.04Å; R452-D480 IonicContact NE-OD1 3.6Å; R452-D480 PolarHBondContact NE-OD1 2.99Å; R452-D480 IonicContact NE-OD2 3.37Å; R452-D480 VanDerWaalsContact NH2-CG 3.3Å; R452-D480 IonicContact NH2-OD1 2.7Å; R452-D480 PolarHBondContact NH2-OD1 3.23Å; R452-D480 IonicContact NH2-OD2 3.74Å; R452-D480 PolarHBondContact NH2-OD2 3.1Å; D480-S482 PolarHBondContact O-N 3.41Å; D480-G483 WeakPolarHBondContact O-CA 3.4Å; D480-G483 PolarHBondContact O-N 3.07Å; D480-E484 PolarHBondContact N-O 2.59Å; D480-V487 WeakPolarHBondContact OD2-CG1 3.47Å; D480-V487 PolarHBondContact OD2-N 3.38Å; D480-I588 WeakPolarHBondContact O-CG2 3.48Å
481	P	95.2	Very high	92.3	Very high	22 Å²	22	29.3 Å²	29.3	14%	0.143	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.6	-175.3	-29.2	36.5	0	0	0	115.6	T456 V460 G483 N592	T456-P481 HydrophobicContact CG2-CG 4.24Å; T456-P481 WeakPolarHBondContact OG1-CG 3.4Å; V460-P481 HydrophobicContact CG2-CG 4.31Å; P481-G483 PolarHBondContact O-N 2.92Å; P481-N592 VanDerWaalsContact CA-ND2 3.33Å; P481-N592 WeakPolarHBondContact CA-ND2 3.12Å; P481-N592 HydrophobicContact CB-CB 4.36Å; P481-N592 WeakPolarHBondContact O-CB 3.43Å; P481-N592 PolarHBondContact O-ND2 3.11Å
482	S	92.3	Very high	92.1	Very high	54 Å²	54	33.4 Å²	33.4	38%	0.378	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.9	174	62.8	0	0	0	0	113.8	D480 E484 R589	D480-S482 PolarHBondContact O-N 3.41Å; S482-E484 VanDerWaalsContact C-N 3.34Å; S482-E484 WeakPolarHBondContact CB-OE1 3.21Å; S482-E484 WeakPolarHBondContact OG-CB 3.18Å; S482-E484 PolarHBondContact OG-N 3.26Å; S482-E484 PolarHBondContact OG-OE1 2.77Å; S482-E484 VanDerWaalsContact OG-OE1 3.11Å; S482-R589 WeakPolarHBondContact O-CB 3.48Å; S482-R589 WeakPolarHBondContact O-CD 3.38Å; S482-R589 VanDerWaalsContact O-CG 3.27Å; S482-R589 WeakPolarHBondContact O-CG 3.33Å
483	G	92.4	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	83.9	6.4	-170.1	0	0	0	0	0	113.8	D480 P481 H585	D480-G483 WeakPolarHBondContact O-CA 3.4Å; D480-G483 PolarHBondContact O-N 3.07Å; P481-G483 PolarHBondContact O-N 2.92Å; G483-H585 PolarHBondContact O-ND1 3.27Å
484	E	91.5	Very high	92.1	Very high	57 Å²	57	29.8 Å²	29.8	27%	0.266	15%	0.152	S	C	.	.	S	Bend	trans	-91.4	174.5	178.7	-68.6	164	-119.9	0	0	111.9	I479 D480 S482 H782 K786	I479-E484 CarbonylContact C-O 3.39Å; I479-E484 WeakPolarHBondContact CA-O 3.31Å; D480-E484 PolarHBondContact N-O 2.59Å; S482-E484 VanDerWaalsContact C-N 3.34Å; S482-E484 WeakPolarHBondContact CB-OE1 3.21Å; S482-E484 WeakPolarHBondContact OG-CB 3.18Å; S482-E484 PolarHBondContact OG-N 3.26Å; S482-E484 PolarHBondContact OG-OE1 2.77Å; S482-E484 VanDerWaalsContact OG-OE1 3.11Å; E484-H782 IonicContact OE2-CD2 3.36Å; E484-H782 IonicContact OE2-NE2 3.9Å; E484-K786 IonicContact OE1-NZ 3.31Å; E484-K786 PolarHBondContact OE1-NZ 3.19Å; E484-K786 IonicContact OE2-NZ 3.48Å; E484-K786 PolarHBondContact OE2-NZ 3.14Å
485	M	91	Very high	91.9	Very high	30 Å²	30	31.1 Å²	31.1	15%	0.148	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-63.4	152.5	172.6	-62.1	-60.9	-65.4	0	0	111.2	T428 K477 V487 I827	T428-M485 WeakPolarHBondContact O-CE 3.46Å; K477-M485 HydrophobicContact CB-CE 4.16Å; K477-M485 HydrophobicContact CD-CE 4.3Å; K477-M485 HydrophobicContact CD-SD 4.46Å; M485-V487 PolarHBondContact O-N 3.19Å; M485-I827 HydrophobicContact SD-CD1 4.18Å
486	L	92.3	Very high	91.5	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-49.4	132.1	172.3	-172.7	67	0	0	0	111.8	Y426 R452 M478 W490	Y426-L486 HydrophobicContact CE1-CB 4.46Å; Y426-L486 HydrophobicContact CE1-CD2 4.22Å; Y426-L486 HydrophobicContact CE2-CD2 4.16Å; R452-L486 HydrophobicContact CG-CD1 4.43Å; M478-L486 HydrophobicContact CB-CB 4.17Å; M478-L486 HydrophobicContact CB-CD1 4.33Å; M478-L486 HydrophobicContact CB-CD2 4.23Å; M478-L486 HydrophobicContact CB-CG 4.49Å; M478-L486 HydrophobicContact CE-CD1 4.14Å; M478-L486 PolarHBondContact O-N 3.22Å; M478-L486 HydrophobicContact SD-CD2 4.03Å; L486-W490 HydrophobicContact CD1-CB 3.64Å; L486-W490 HydrophobicContact CD1-CG 4.25Å; L486-W490 HydrophobicContact CD2-CB 3.83Å; L486-W490 HydrophobicContact CG-CB 3.65Å
487	V	89.5	Confident	91.2	Very high	62 Å²	62	36.1 Å²	36.1	38%	0.376	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-58.6	144.6	175.8	-66.3	0	0	0	0	112.7	R452 D480 M485 E489 W490 E491	R452-V487 VanDerWaalsContact NH2-CG2 3.32Å; D480-V487 WeakPolarHBondContact OD2-CG1 3.47Å; D480-V487 PolarHBondContact OD2-N 3.38Å; M485-V487 PolarHBondContact O-N 3.19Å; V487-E489 VanDerWaalsContact C-N 3.27Å; V487-E489 PolarHBondContact O-N 2.89Å; V487-E489 VanDerWaalsContact O-N 3.17Å; V487-W490 HydrophobicContact CG2-CB 4.06Å; V487-W490 HydrophobicContact CG2-CG 4.07Å; V487-W490 WeakPolarHBondContact O-CA 3.19Å; V487-W490 WeakPolarHBondContact O-CB 3.5Å; V487-W490 PolarHBondContact O-N 3.18Å; V487-E491 PolarHBondContact O-N 2.83Å
488	E	86	Confident	90.8	Very high	123 Å²	123	35.9 Å²	35.9	58%	0.575	18%	0.178	S	C	*	.	H	α-helix	trans	-55.3	-37.6	-173.7	-175.9	165.3	-170.3	0	0	113.9	W490 E491 E492	E488-W490 PolarHBondContact O-N 3.13Å; E488-E491 WeakPolarHBondContact O-CB 3.35Å; E488-E491 PolarHBondContact O-N 3.13Å; E488-E492 PolarHBondContact O-N 3.01Å
489	E	89.9	Confident	90.2	Very high	101 Å²	101	36.6 Å²	36.6	47%	0.472	18%	0.182	S	C	.	.	H	α-helix	trans	-58.9	-31.4	176.5	-164.9	-167.4	163.6	0	0	112.8	V487 K493 F535	V487-E489 VanDerWaalsContact C-N 3.27Å; V487-E489 PolarHBondContact O-N 2.89Å; V487-E489 VanDerWaalsContact O-N 3.17Å; E489-K493 IonicContact OE1-NZ 3.55Å; E489-K493 PolarHBondContact OE1-NZ 3.31Å; E489-K493 VanDerWaalsContact OE1-NZ 3.11Å; E489-F535 HydrophobicContact CG-CZ 4.27Å; E489-F535 WeakPolarHBondContact OE1-CE1 3.22Å; E489-F535 WeakPolarHBondContact OE1-CZ 3.37Å
490	W	92	Very high	89.2	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-87.4	-19.8	177	-81.6	69	0	0	0	112.9	L448 L451 R452 Q455 L486 V487 E488 E492 K493 A494 I531 F535 I537	L448-W490 HydrophobicContact CD1-CE3 3.91Å; L448-W490 HydrophobicContact CD1-CZ3 3.52Å; L448-W490 HydrophobicContact CD2-CE3 4.41Å; L448-W490 HydrophobicContact CG-CE3 4Å; L448-W490 HydrophobicContact CG-CZ3 3.84Å; L451-W490 HydrophobicContact CB-CH2 4.1Å; L451-W490 HydrophobicContact CB-CZ3 4.37Å; R452-W490 HydrophobicContact CB-CE3 4.04Å; R452-W490 HydrophobicContact CB-CH2 3.94Å; R452-W490 HydrophobicContact CB-CZ3 3.63Å; R452-W490 HydrophobicContact CG-CE3 4.37Å; R452-W490 HydrophobicContact CG-CZ3 4.38Å; Q455-W490 VanDerWaalsContact OE1-CE2 3.26Å; L486-W490 HydrophobicContact CD1-CB 3.64Å; L486-W490 HydrophobicContact CD1-CG 4.25Å; L486-W490 HydrophobicContact CD2-CB 3.83Å; L486-W490 HydrophobicContact CG-CB 3.65Å; V487-W490 HydrophobicContact CG2-CB 4.06Å; V487-W490 HydrophobicContact CG2-CG 4.07Å; V487-W490 WeakPolarHBondContact O-CA 3.19Å; V487-W490 WeakPolarHBondContact O-CB 3.5Å; V487-W490 PolarHBondContact O-N 3.18Å; E488-W490 PolarHBondContact O-N 3.13Å; W490-E492 VanDerWaalsContact C-N 3.34Å; W490-K493 PolarHBondContact O-N 3.41Å; W490-A494 VanDerWaalsContact O-CB 3.26Å; W490-A494 WeakPolarHBondContact O-CB 3.41Å; W490-A494 PolarHBondContact O-N 3.15Å; W490-I531 HydrophobicContact CH2-CG2 4.06Å; W490-I531 HydrophobicContact CZ2-CG2 4.49Å; W490-F535 AromaticContact CD1-CZ 3.84Å; W490-F535 HydrophobicContact CD2-CE2 4.47Å; W490-F535 AromaticContact CE2-CE2 3.53Å; W490-F535 AromaticContact CE2-CZ 3.9Å; W490-F535 AromaticContact CZ2-CD2 3.65Å; W490-F535 HydrophobicContact CZ2-CD2 3.65Å; W490-F535 AromaticContact CZ2-CE2 3.6Å; W490-F535 HydrophobicContact CZ2-CE2 3.6Å; W490-F535 HydrophobicContact CZ2-CG 4.36Å; W490-F535 HydrophobicContact CZ2-CZ 4.33Å; W490-F535 AromaticContact NE1-CE1 3.86Å; W490-F535 AromaticContact NE1-CE2 3.34Å; W490-F535 VanDerWaalsContact NE1-CE2 3.34Å; W490-F535 AromaticContact NE1-CZ 3.2Å; W490-I537 HydrophobicContact CH2-CD1 4.22Å; W490-I537 HydrophobicContact CZ2-CD1 4.46Å
491	E	90.7	Very high	87.7	Confident	17 Å²	17	39.9 Å²	39.9	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-40.6	173.7	-60.2	-177.8	150.5	0	0	111.1	Y426 V487 E488 A494 T495 K779	Y426-E491 HydrophobicContact CD1-CB 3.81Å; Y426-E491 HydrophobicContact CD1-CG 3.65Å; Y426-E491 HydrophobicContact CE1-CB 4.46Å; Y426-E491 HydrophobicContact CE1-CG 3.84Å; Y426-E491 HydrophobicContact CG-CB 4.38Å; V487-E491 PolarHBondContact O-N 2.83Å; E488-E491 WeakPolarHBondContact O-CB 3.35Å; E488-E491 PolarHBondContact O-N 3.13Å; E491-A494 PolarHBondContact O-N 3.05Å; E491-T495 WeakPolarHBondContact O-CB 3.02Å; E491-T495 PolarHBondContact O-N 2.99Å; E491-T495 PolarHBondContact O-OG1 2.94Å; E491-K779 IonicContact OE1-NZ 3.86Å; E491-K779 IonicContact OE2-NZ 3.47Å; E491-K779 PolarHBondContact OE2-NZ 3.47Å
492	E	86.5	Confident	85.6	Confident	136 Å²	136	42.8 Å²	42.8	64%	0.636	21%	0.212	S	C	*	.	H	α-helix	trans	-68.9	-40.9	178.9	-159.4	178.2	-150.5	0	0	111.3	E488 W490 T495 R496	E488-E492 PolarHBondContact O-N 3.01Å; W490-E492 VanDerWaalsContact C-N 3.34Å; E492-T495 WeakPolarHBondContact O-CB 3.41Å; E492-T495 PolarHBondContact O-N 3.25Å; E492-R496 WeakPolarHBondContact O-CB 3.36Å; E492-R496 PolarHBondContact O-N 3.02Å
493	K	89.2	Confident	83.4	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-43.2	173.6	-67.5	175	167	90.1	0	111.5	E489 W490 T495 R496 F497 I531 E534 F535	E489-K493 IonicContact OE1-NZ 3.55Å; E489-K493 PolarHBondContact OE1-NZ 3.31Å; E489-K493 VanDerWaalsContact OE1-NZ 3.11Å; W490-K493 PolarHBondContact O-N 3.41Å; K493-T495 VanDerWaalsContact C-N 3.32Å; K493-T495 PolarHBondContact O-N 3.28Å; K493-R496 PolarHBondContact O-N 3.11Å; K493-F497 WeakPolarHBondContact O-CB 3.38Å; K493-F497 PolarHBondContact O-N 3.26Å; K493-I531 HydrophobicContact CD-CG1 4.4Å; K493-E534 VanDerWaalsContact CE-OE1 3.3Å; K493-E534 WeakPolarHBondContact CE-OE1 3.41Å; K493-E534 WeakPolarHBondContact CE-OE2 3.35Å; K493-E534 VanDerWaalsContact NZ-CD 3.27Å; K493-E534 IonicContact NZ-OE1 3.36Å; K493-E534 PolarHBondContact NZ-OE1 3.48Å; K493-E534 IonicContact NZ-OE2 3.98Å; K493-E534 PolarHBondContact NZ-OE2 3.35Å; K493-F535 HydrophobicContact CD-CE2 3.5Å; K493-F535 HydrophobicContact CD-CZ 4.01Å; K493-F535 VanDerWaalsContact NZ-CZ 3.3Å
494	A	91.9	Very high	80.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-44.7	174.2	0	0	0	0	0	111.6	Y426 F431 M445 L448 W490 E491 A498	Y426-A494 HydrophobicContact CD2-CB 3.68Å; Y426-A494 HydrophobicContact CE2-CB 4.34Å; Y426-A494 HydrophobicContact CG-CB 4.12Å; F431-A494 HydrophobicContact CE2-CB 4.35Å; M445-A494 HydrophobicContact CE-CB 4.15Å; M445-A494 HydrophobicContact SD-CB 3.88Å; L448-A494 HydrophobicContact CD2-CB 3.58Å; W490-A494 VanDerWaalsContact O-CB 3.26Å; W490-A494 WeakPolarHBondContact O-CB 3.41Å; W490-A494 PolarHBondContact O-N 3.15Å; E491-A494 PolarHBondContact O-N 3.05Å; A494-A498 WeakPolarHBondContact O-CB 3.45Å; A494-A498 PolarHBondContact O-N 2.98Å
495	T	88.9	Confident	77.9	Confident	28 Å²	28	51.5 Å²	51.5	17%	0.172	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-48.9	174.8	-61.9	0	0	0	0	111.2	R425 Y426 E491 E492 K493 N499	R425-T495 HydrophobicContact CB-CG2 4.45Å; R425-T495 HydrophobicContact CG-CG2 4.2Å; Y426-T495 WeakPolarHBondContact CB-OG1 3.45Å; Y426-T495 PolarHBondContact N-OG1 2.61Å; E491-T495 WeakPolarHBondContact O-CB 3.02Å; E491-T495 PolarHBondContact O-N 2.99Å; E491-T495 PolarHBondContact O-OG1 2.94Å; E492-T495 WeakPolarHBondContact O-CB 3.41Å; E492-T495 PolarHBondContact O-N 3.25Å; K493-T495 VanDerWaalsContact C-N 3.32Å; K493-T495 PolarHBondContact O-N 3.28Å; T495-N499 PolarHBondContact O-N 2.81Å; T495-N499 PolarHBondContact O-ND2 3.39Å
496	R	86	Confident	75.1	Confident	106 Å²	106	55.1 Å²	55.1	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-50.1	180	-160.3	-174.6	-40.1	153.2	-3.7	111.2	E492 K493 A498 N499 C500 E527	E492-R496 WeakPolarHBondContact O-CB 3.36Å; E492-R496 PolarHBondContact O-N 3.02Å; K493-R496 PolarHBondContact O-N 3.11Å; R496-A498 PolarHBondContact O-N 3.04Å; R496-N499 CarbonylContact O-C 3.57Å; R496-N499 PolarHBondContact O-N 2.79Å; R496-C500 PolarHBondContact O-N 2.84Å; R496-C500 VanDerWaalsContact O-N 3.08Å; R496-C500 PolarHBondContact O-SG 2.95Å; R496-E527 VanDerWaalsContact CD-OE1 3.31Å; R496-E527 WeakPolarHBondContact CD-OE1 3.18Å; R496-E527 IonicContact CZ-OE1 3.9Å; R496-E527 IonicContact NE-OE1 3.92Å; R496-E527 IonicContact NH1-OE1 2.76Å; R496-E527 PolarHBondContact NH1-OE1 3.12Å
497	F	87.4	Confident	72.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-44.3	-179	-166.1	-124.4	0	0	0	112	R444 M445 I447 L448 K493 N499 C500 L524 E527 I528	R444-F497 HydrophobicContact CB-CD1 3.71Å; R444-F497 HydrophobicContact CB-CE1 3.62Å; R444-F497 WeakPolarHBondContact CD-O 3.28Å; R444-F497 HydrophobicContact CG-CD1 4.39Å; R444-F497 HydrophobicContact CG-CE1 4.11Å; R444-F497 PolarHBondContact NH1-O 2.92Å; R444-F497 WeakPolarHBondContact O-CE1 3.4Å; M445-F497 HydrophobicContact CE-CD1 4.01Å; I447-F497 HydrophobicContact CB-CE1 4.17Å; I447-F497 HydrophobicContact CB-CZ 4.45Å; I447-F497 HydrophobicContact CD1-CZ 4.49Å; I447-F497 HydrophobicContact CG2-CE1 4.25Å; I447-F497 HydrophobicContact CG2-CZ 4.15Å; L448-F497 HydrophobicContact CB-CD1 4.36Å; K493-F497 WeakPolarHBondContact O-CB 3.38Å; K493-F497 PolarHBondContact O-N 3.26Å; F497-N499 PolarHBondContact O-N 2.84Å; F497-C500 PolarHBondContact O-N 3.14Å; F497-L524 HydrophobicContact CD2-CD2 4.08Å; F497-L524 HydrophobicContact CE2-CD2 3.45Å; F497-L524 VanDerWaalsContact CE2-CD2 3.45Å; F497-L524 HydrophobicContact CZ-CD2 3.75Å; F497-E527 HydrophobicContact CD2-CB 4.06Å; F497-E527 HydrophobicContact CD2-CG 3.83Å; F497-E527 HydrophobicContact CE2-CB 4.41Å; F497-I528 HydrophobicContact CE2-CD1 4.32Å; F497-I528 HydrophobicContact CE2-CG1 3.77Å; F497-I528 HydrophobicContact CZ-CD1 4.1Å; F497-I528 HydrophobicContact CZ-CG1 3.87Å
498	A	87	Confident	69.7	Low	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-30.1	175.6	0	0	0	0	0	113.2	F431 H440 V441 R444 M445 A494 R496	F431-A498 HydrophobicContact CE1-CB 3.85Å; F431-A498 HydrophobicContact CE2-CB 4.01Å; F431-A498 HydrophobicContact CZ-CB 3.33Å; H440-A498 PolarHBondContact CD2-O 3.31Å; V441-A498 HydrophobicContact CG1-CB 4.4Å; V441-A498 HydrophobicContact CG2-CB 4.38Å; R444-A498 PolarHBondContact NH1-O 3.06Å; M445-A498 HydrophobicContact CE-CB 4.44Å; A494-A498 WeakPolarHBondContact O-CB 3.45Å; A494-A498 PolarHBondContact O-N 2.98Å; R496-A498 PolarHBondContact O-N 3.04Å
499	N	84	Confident	67.5	Low	16 Å²	16	66.1 Å²	66.1	9%	0.086	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	9.5	-177.6	-64.4	-73.3	0	0	0	115	R418 L423 L424 T495 R496 F497 P501	R418-N499 PolarHBondContact NH1-O 3.3Å; R418-N499 PolarHBondContact NH2-OD1 3.5Å; L423-N499 HydrophobicContact CD1-CB 4.01Å; L424-N499 PolarHBondContact N-OD1 3.2Å; L424-N499 PolarHBondContact O-ND2 3.31Å; T495-N499 PolarHBondContact O-N 2.81Å; T495-N499 PolarHBondContact O-ND2 3.39Å; R496-N499 CarbonylContact O-C 3.57Å; R496-N499 PolarHBondContact O-N 2.79Å; F497-N499 PolarHBondContact O-N 2.84Å; N499-P501 VanDerWaalsContact O-N 3.15Å
500	C	75.1	Confident	64.8	Low	9 Å²	9	68.8 Å²	68.8	6%	0.061	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-53.2	124.6	172.2	-69.3	0	0	0	0	109.9	R444 R496 F497 L524	R444-C500 PolarHBondContact NH1-O 3.27Å; R444-C500 PolarHBondContact NH2-O 3.26Å; R496-C500 PolarHBondContact O-N 2.84Å; R496-C500 VanDerWaalsContact O-N 3.08Å; R496-C500 PolarHBondContact O-SG 2.95Å; F497-C500 PolarHBondContact O-N 3.14Å; C500-L524 HydrophobicContact CB-CG 4.36Å
501	P	62.4	Low	62	Low	66 Å²	66	78.4 Å²	78.4	43%	0.429	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-61.7	150.5	-174.3	-12	18.6	0	0	0	112.6	N499	N499-P501 VanDerWaalsContact O-N 3.15Å
502	Y	52.1	Low	59.4	Low	84 Å²	84	85.1 Å²	85.1	33%	0.329	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-100.9	123.9	167.7	174.9	-99.5	0	0	0	108.1	Y409 R417 A504	Y409-Y502 WeakPolarHBondContact OH-CD2 3.47Å; Y409-Y502 WeakPolarHBondContact OH-CE2 3.39Å; R417-Y502 HydrophobicContact CB-CD2 4.22Å; R417-Y502 HydrophobicContact CB-CE2 4.23Å; R417-Y502 VanDerWaalsContact CD-CE2 3.46Å; R417-Y502 HydrophobicContact CG-CD2 4.33Å; R417-Y502 HydrophobicContact CG-CE2 4.03Å; R417-Y502 PolarHBondContact NH1-OH 3.01Å; Y502-A504 HydrophobicContact CE1-CB 3.79Å
503	T	45	Very low	57.1	Low	61 Å²	61	83.2 Å²	83.2	37%	0.374	44%	0.443	S	S	.	.			trans	-109.5	119.3	165.1	46.4	0	0	0	0	109.3	F519	T503-F519 WeakPolarHBondContact CG2-O 3.31Å; T503-F519 PolarHBondContact OG1-O 2.82Å
504	A	35.7	Very low	54.4	Low	64 Å²	64	88.9 Å²	88.9	53%	0.529	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-85.1	132.8	155.1	0	0	0	0	0	107	Y502	Y502-A504 HydrophobicContact CE1-CB 3.79Å
505	F	32.9	Very low	51.4	Low	169 Å²	169	96 Å²	96	74%	0.741	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-49.8	132.2	168	-87.5	-90.8	0	0	0	110	S507 E521	F505-S507 PolarHBondContact O-N 3.19Å; F505-E521 WeakPolarHBondContact CE2-OE1 3.44Å
506	P	32.9	Very low	48.5	Very low	106 Å²	106	102.9 Å²	102.9	69%	0.688	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-65.8	129.7	165.9	-3.6	17.7	0	0	0	107.9
507	S	33	Very low	45.8	Very low	100 Å²	100	103.2 Å²	103.2	70%	0.699	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-53.3	142.6	166.2	55.2	0	0	0	0	109.7	F505 Y509	F505-S507 PolarHBondContact O-N 3.19Å; S507-Y509 PolarHBondContact O-N 3.39Å
508	A	35	Very low	42.8	Very low	101 Å²	101	114.1 Å²	114.1	84%	0.835	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	40.5	-169.5	0	0	0	0	0	117.4
509	Y	40.8	Very low	40.1	Very low	218 Å²	218	119.9 Å²	119.9	86%	0.855	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	0.9	-175.2	-89.7	-82.3	0	0	0	116.8	S507	S507-Y509 PolarHBondContact O-N 3.39Å
510	E	32.8	Very low	37.6	Very low	158 Å²	158	122.2 Å²	122.2	74%	0.738	65%	0.646	S	S	*	*			trans	-109.1	97.8	175.9	-76.7	-177.2	168	0	0	112.3	N512	E510-N512 PolarHBondContact O-N 2.94Å
511	K	33.6	Very low	35.8	Very low	201 Å²	201	127.3 Å²	127.3	87%	0.874	67%	0.669	S	S	*	*	S	Bend	trans	-76.2	103.4	165.4	-70.2	179.5	178.6	178.1	0	108.1
512	N	36.1	Very low	35.1	Very low	158 Å²	158	130.6 Å²	130.6	85%	0.845	68%	0.679	S	S	*	*			trans	83.4	88.7	172.8	-59.8	-18.8	0	0	0	118.2	E510	E510-N512 PolarHBondContact O-N 2.94Å
513	P	36.5	Very low	35.6	Very low	96 Å²	96	128.6 Å²	128.6	62%	0.623	67%	0.674	S	S	*	*			trans	-92.6	149.5	151.8	32.7	-26	0	0	0	111.8
514	P	33.4	Very low	36.7	Very low	125 Å²	125	127 Å²	127	81%	0.812	66%	0.663	S	S	*	*			trans	-79.9	126	-173.8	31.2	-31.7	0	0	0	113.1
515	I	29.4	Very low	38.4	Very low	150 Å²	150	127.8 Å²	127.8	77%	0.769	66%	0.656	S	S	*	*	S	Bend	trans	40.1	116	144.9	-55.2	177.9	0	0	0	119.2
516	Q	28.3	Very low	40.3	Very low	173 Å²	173	122 Å²	122	81%	0.808	64%	0.639	S	S	*	*			trans	75.7	93.1	160.2	-71	177.8	17.4	0	0	118.8
517	V	28.3	Very low	42.5	Very low	113 Å²	113	118.2 Å²	118.2	69%	0.685	61%	0.612	S	S	*	*				-178.9	111.5	108.6	167.4	0	0	0	0	108.3	F519	V517-F519 HydrophobicContact CG1-CD2 3.08Å; V517-F519 HydrophobicContact CG1-CE2 3.1Å; V517-F519 HydrophobicContact CG1-CG 4.2Å; V517-F519 HydrophobicContact CG1-CZ 4.22Å
518	Y	24.9	Very low	44.9	Very low	228 Å²	228	114.8 Å²	114.8	89%	0.894	59%	0.586	S	S	*	*			trans	-83.3	117.3	172	-71.3	-91.8	0	0	0	109.8
519	F	30.2	Very low	47.3	Very low	121 Å²	121	115.7 Å²	115.7	53%	0.531	57%	0.573	S	S	.	*			trans	-146.5	126.3	162.7	-69.4	-61.6	0	0	0	112.1	T503 V517	T503-F519 WeakPolarHBondContact CG2-O 3.31Å; T503-F519 PolarHBondContact OG1-O 2.82Å; V517-F519 HydrophobicContact CG1-CD2 3.08Å; V517-F519 HydrophobicContact CG1-CE2 3.1Å; V517-F519 HydrophobicContact CG1-CG 4.2Å; V517-F519 HydrophobicContact CG1-CZ 4.22Å
520	S	32	Very low	49.4	Very low	65 Å²	65	107.4 Å²	107.4	46%	0.455	55%	0.549	S	S	.	.			trans	-88.1	174.1	-176.8	57.4	0	0	0	0	113.1	Q522	S520-Q522 PolarHBondContact O-N 3.14Å; S520-Q522 PolarHBondContact OG-OE1 2.94Å
521	E	35.6	Very low	52	Low	116 Å²	116	99.9 Å²	99.9	54%	0.542	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	5.9	-178.6	-64.5	179.9	145.4	0	0	116.4	F505	F505-E521 WeakPolarHBondContact CE2-OE1 3.44Å
522	Q	49.1	Very low	54.6	Low	135 Å²	135	91.7 Å²	91.7	63%	0.631	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.4	-168	-70.2	172.1	-24.8	0	0	115.6	S520 A526	S520-Q522 PolarHBondContact O-N 3.14Å; S520-Q522 PolarHBondContact OG-OE1 2.94Å; Q522-A526 WeakPolarHBondContact O-CB 3.4Å; Q522-A526 PolarHBondContact O-N 3.22Å; Q522-A526 VanDerWaalsContact O-N 3.14Å
523	N	62.5	Low	57.2	Low	42 Å²	42	93 Å²	93	23%	0.225	48%	0.479	C	S	.	.	H	α-helix	trans	-76.8	-33.6	-161	-70.5	-22.8	0	0	0	116.6	E527	N523-E527 WeakPolarHBondContact O-CB 3.49Å; N523-E527 PolarHBondContact O-N 3.15Å
524	L	68.1	Low	59.8	Low	27 Å²	27	93.3 Å²	93.3	14%	0.141	47%	0.472	C	S	.	.	H	α-helix	trans	-76.7	-46.4	-177.8	-89.3	155.1	0	0	0	111.8	Y409 R444 F497 C500 E527 I528	Y409-L524 HydrophobicContact CD2-CD1 4.4Å; Y409-L524 HydrophobicContact CE2-CD1 4.21Å; R444-L524 HydrophobicContact CG-CD2 4.27Å; F497-L524 HydrophobicContact CD2-CD2 4.08Å; F497-L524 HydrophobicContact CE2-CD2 3.45Å; F497-L524 VanDerWaalsContact CE2-CD2 3.45Å; F497-L524 HydrophobicContact CZ-CD2 3.75Å; C500-L524 HydrophobicContact CB-CG 4.36Å; L524-E527 PolarHBondContact O-N 2.98Å; L524-I528 WeakPolarHBondContact O-CG1 3.47Å; L524-I528 PolarHBondContact O-N 3.1Å
525	E	71	Confident	62.6	Low	82 Å²	82	89.1 Å²	89.1	38%	0.383	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-46	175.8	-69.4	172.3	-159.8	0	0	110.4	Y409 E527 I528 E529	Y409-E525 PolarHBondContact N-OE1 3.29Å; E525-E527 VanDerWaalsContact C-N 3.3Å; E525-E527 PolarHBondContact O-N 2.88Å; E525-I528 PolarHBondContact O-N 3.42Å; E525-I528 VanDerWaalsContact O-N 3.15Å; E525-E529 WeakPolarHBondContact O-CG 3.49Å; E525-E529 PolarHBondContact O-N 3.26Å
526	A	72.6	Confident	65.5	Low	47 Å²	47	89 Å²	89	39%	0.388	44%	0.442	S	S	.	.	H	α-helix	trans	-60.3	-36.8	176.6	0	0	0	0	0	112.9	Q522 A530	Q522-A526 WeakPolarHBondContact O-CB 3.4Å; Q522-A526 PolarHBondContact O-N 3.22Å; Q522-A526 VanDerWaalsContact O-N 3.14Å; A526-A530 VanDerWaalsContact O-CB 3.25Å; A526-A530 WeakPolarHBondContact O-CB 3.42Å; A526-A530 PolarHBondContact O-N 3.02Å
527	E	80.2	Confident	68.4	Low	27 Å²	27	81.2 Å²	81.2	13%	0.126	41%	0.406	C	S	.	.	H	α-helix	trans	-70.9	-38.4	176.5	-166.9	64.9	-154.3	0	0	111.6	R496 F497 N523 L524 E525 A530 I531	R496-E527 VanDerWaalsContact CD-OE1 3.31Å; R496-E527 WeakPolarHBondContact CD-OE1 3.18Å; R496-E527 IonicContact CZ-OE1 3.9Å; R496-E527 IonicContact NE-OE1 3.92Å; R496-E527 IonicContact NH1-OE1 2.76Å; R496-E527 PolarHBondContact NH1-OE1 3.12Å; F497-E527 HydrophobicContact CD2-CB 4.06Å; F497-E527 HydrophobicContact CD2-CG 3.83Å; F497-E527 HydrophobicContact CE2-CB 4.41Å; N523-E527 WeakPolarHBondContact O-CB 3.49Å; N523-E527 PolarHBondContact O-N 3.15Å; L524-E527 PolarHBondContact O-N 2.98Å; E525-E527 VanDerWaalsContact C-N 3.3Å; E525-E527 PolarHBondContact O-N 2.88Å; E527-A530 PolarHBondContact O-N 3.4Å; E527-I531 HydrophobicContact CG-CD1 4.25Å; E527-I531 VanDerWaalsContact O-CG1 3.26Å; E527-I531 WeakPolarHBondContact O-CG1 3.17Å; E527-I531 PolarHBondContact O-N 3.18Å
528	I	83.4	Confident	71.3	Confident	27 Å²	27	80.2 Å²	80.2	14%	0.138	40%	0.397	C	S	.	.	H	α-helix	trans	-61.2	-49.1	172.5	-67.8	167.6	0	0	0	109.9	I447 L451 F497 L524 E525 A530 I531 V532	I447-I528 HydrophobicContact CG2-CD1 4.04Å; I447-I528 HydrophobicContact CG2-CG1 4.42Å; L451-I528 HydrophobicContact CD1-CG2 4.23Å; F497-I528 HydrophobicContact CE2-CD1 4.32Å; F497-I528 HydrophobicContact CE2-CG1 3.77Å; F497-I528 HydrophobicContact CZ-CD1 4.1Å; F497-I528 HydrophobicContact CZ-CG1 3.87Å; L524-I528 WeakPolarHBondContact O-CG1 3.47Å; L524-I528 PolarHBondContact O-N 3.1Å; E525-I528 PolarHBondContact O-N 3.42Å; E525-I528 VanDerWaalsContact O-N 3.15Å; I528-A530 VanDerWaalsContact C-N 3.3Å; I528-A530 PolarHBondContact O-N 2.93Å; I528-I531 PolarHBondContact O-N 3.48Å; I528-V532 HydrophobicContact CG2-CG2 4.23Å; I528-V532 WeakPolarHBondContact O-CB 3.45Å; I528-V532 VanDerWaalsContact O-CG2 3.23Å; I528-V532 WeakPolarHBondContact O-CG2 3.38Å; I528-V532 PolarHBondContact O-N 2.66Å
529	E	83.7	Confident	74.2	Confident	120 Å²	120	72 Å²	72	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-59	-41	177.1	-73.2	-179	175.3	0	0	111.9	E525 V532 K533	E525-E529 WeakPolarHBondContact O-CG 3.49Å; E525-E529 PolarHBondContact O-N 3.26Å; E529-V532 PolarHBondContact O-N 3.19Å; E529-K533 VanDerWaalsContact O-CB 3.25Å; E529-K533 WeakPolarHBondContact O-CB 3.33Å; E529-K533 PolarHBondContact O-N 2.75Å
530	A	85.5	Confident	76.8	Confident	44 Å²	44	73.7 Å²	73.7	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-48.4	175.9	0	0	0	0	0	111.5	A526 E527 I528 K533 E534	A526-A530 VanDerWaalsContact O-CB 3.25Å; A526-A530 WeakPolarHBondContact O-CB 3.42Å; A526-A530 PolarHBondContact O-N 3.02Å; E527-A530 PolarHBondContact O-N 3.4Å; I528-A530 VanDerWaalsContact C-N 3.3Å; I528-A530 PolarHBondContact O-N 2.93Å; A530-K533 PolarHBondContact O-N 3Å; A530-E534 VanDerWaalsContact O-CB 3.25Å; A530-E534 WeakPolarHBondContact O-CB 3.23Å; A530-E534 PolarHBondContact O-N 3.49Å
531	I	87.5	Confident	79.4	Confident	1 Å²	1	72 Å²	72	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-44.1	178.2	-67.9	167.7	0	0	0	111	L448 L451 W490 K493 E527 I528 K533 E534 F535 I537	L448-I531 HydrophobicContact CD1-CD1 3.9Å; L451-I531 HydrophobicContact CD1-CG2 4.2Å; W490-I531 HydrophobicContact CH2-CG2 4.06Å; W490-I531 HydrophobicContact CZ2-CG2 4.49Å; K493-I531 HydrophobicContact CD-CG1 4.4Å; E527-I531 HydrophobicContact CG-CD1 4.25Å; E527-I531 VanDerWaalsContact O-CG1 3.26Å; E527-I531 WeakPolarHBondContact O-CG1 3.17Å; E527-I531 PolarHBondContact O-N 3.18Å; I528-I531 PolarHBondContact O-N 3.48Å; I531-K533 VanDerWaalsContact C-N 3.34Å; I531-K533 PolarHBondContact O-N 2.93Å; I531-E534 PolarHBondContact O-N 3.37Å; I531-F535 HydrophobicContact CG2-CD2 4.11Å; I531-F535 HydrophobicContact CG2-CE2 4.5Å; I531-F535 PolarHBondContact O-N 2.72Å; I531-F535 VanDerWaalsContact O-N 3.14Å; I531-I537 HydrophobicContact CG2-CD1 4.01Å
532	V	89	Confident	81.8	Confident	29 Å²	29	72.6 Å²	72.6	18%	0.176	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-44.3	178.9	168.4	0	0	0	0	110.9	L451 I528 E529 N536 I537 M539	L451-V532 HydrophobicContact CD2-CG2 4.01Å; I528-V532 HydrophobicContact CG2-CG2 4.23Å; I528-V532 WeakPolarHBondContact O-CB 3.45Å; I528-V532 VanDerWaalsContact O-CG2 3.23Å; I528-V532 WeakPolarHBondContact O-CG2 3.38Å; I528-V532 PolarHBondContact O-N 2.66Å; E529-V532 PolarHBondContact O-N 3.19Å; V532-N536 WeakPolarHBondContact O-CA 3.24Å; V532-N536 PolarHBondContact O-N 3.01Å; V532-I537 HydrophobicContact CG1-CB 4.34Å; V532-I537 HydrophobicContact CG2-CB 4.4Å; V532-I537 PolarHBondContact O-N 3.44Å; V532-M539 HydrophobicContact CG1-CG 4.06Å; V532-M539 HydrophobicContact CG1-SD 4.36Å; V532-M539 HydrophobicContact CG2-CG 4.36Å; V532-M539 HydrophobicContact CG2-SD 3.6Å; V532-M539 VanDerWaalsContact CG2-SD 3.6Å
533	K	90.3	Very high	83.8	Confident	184 Å²	184	66.2 Å²	66.2	80%	0.8	35%	0.345	S	S	*	.	H	α-helix	trans	-69.2	-41.8	178.9	-174.9	177.7	178.9	-179.7	0	112.4	E529 A530 I531 F535	E529-K533 VanDerWaalsContact O-CB 3.25Å; E529-K533 WeakPolarHBondContact O-CB 3.33Å; E529-K533 PolarHBondContact O-N 2.75Å; A530-K533 PolarHBondContact O-N 3Å; I531-K533 VanDerWaalsContact C-N 3.34Å; I531-K533 PolarHBondContact O-N 2.93Å; K533-F535 PolarHBondContact O-N 3.16Å
534	E	91.6	Very high	85.4	Confident	104 Å²	104	65 Å²	65	49%	0.486	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-42.1	-178.8	-174.4	178.2	172.4	0	0	111.9	K493 A530 I531	K493-E534 VanDerWaalsContact CE-OE1 3.3Å; K493-E534 WeakPolarHBondContact CE-OE1 3.41Å; K493-E534 WeakPolarHBondContact CE-OE2 3.35Å; K493-E534 VanDerWaalsContact NZ-CD 3.27Å; K493-E534 IonicContact NZ-OE1 3.36Å; K493-E534 PolarHBondContact NZ-OE1 3.48Å; K493-E534 IonicContact NZ-OE2 3.98Å; K493-E534 PolarHBondContact NZ-OE2 3.35Å; A530-E534 VanDerWaalsContact O-CB 3.25Å; A530-E534 WeakPolarHBondContact O-CB 3.23Å; A530-E534 PolarHBondContact O-N 3.49Å; I531-E534 PolarHBondContact O-N 3.37Å
535	F	90.5	Very high	86.7	Confident	36 Å²	36	63.8 Å²	63.8	16%	0.158	33%	0.333	C	S	.	.	H	α-helix	trans	-102.3	6.6	-177.9	-67	-65.5	0	0	0	115	Q455 E489 W490 K493 I531 K533 I537	Q455-F535 HydrophobicContact CG-CB 4.16Å; E489-F535 HydrophobicContact CG-CZ 4.27Å; E489-F535 WeakPolarHBondContact OE1-CE1 3.22Å; E489-F535 WeakPolarHBondContact OE1-CZ 3.37Å; W490-F535 AromaticContact CD1-CZ 3.84Å; W490-F535 HydrophobicContact CD2-CE2 4.47Å; W490-F535 AromaticContact CE2-CE2 3.53Å; W490-F535 AromaticContact CE2-CZ 3.9Å; W490-F535 AromaticContact CZ2-CD2 3.65Å; W490-F535 HydrophobicContact CZ2-CD2 3.65Å; W490-F535 AromaticContact CZ2-CE2 3.6Å; W490-F535 HydrophobicContact CZ2-CE2 3.6Å; W490-F535 HydrophobicContact CZ2-CG 4.36Å; W490-F535 HydrophobicContact CZ2-CZ 4.33Å; W490-F535 AromaticContact NE1-CE1 3.86Å; W490-F535 AromaticContact NE1-CE2 3.34Å; W490-F535 VanDerWaalsContact NE1-CE2 3.34Å; W490-F535 AromaticContact NE1-CZ 3.2Å; K493-F535 HydrophobicContact CD-CE2 3.5Å; K493-F535 HydrophobicContact CD-CZ 4.01Å; K493-F535 VanDerWaalsContact NZ-CZ 3.3Å; I531-F535 HydrophobicContact CG2-CD2 4.11Å; I531-F535 HydrophobicContact CG2-CE2 4.5Å; I531-F535 PolarHBondContact O-N 2.72Å; I531-F535 VanDerWaalsContact O-N 3.14Å; K533-F535 PolarHBondContact O-N 3.16Å; F535-I537 VanDerWaalsContact C-N 3.29Å; F535-I537 HydrophobicContact CB-CD1 4.15Å; F535-I537 HydrophobicContact CB-CG1 3.74Å; F535-I537 PolarHBondContact O-N 2.77Å
536	N	90.3	Very high	87.9	Confident	148 Å²	148	59.9 Å²	59.9	79%	0.791	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	47.5	-177.2	-167.4	40.4	0	0	0	112.6	V532 N538	V532-N536 WeakPolarHBondContact O-CA 3.24Å; V532-N536 PolarHBondContact O-N 3.01Å; N536-N538 PolarHBondContact O-N 2.85Å
537	I	89.7	Confident	89	Confident	10 Å²	10	57.7 Å²	57.7	5%	0.051	30%	0.296	C	S	.	.			trans	-73.8	122.9	-173.9	-55.1	-178.7	0	0	0	109.6	L451 R454 Q455 W490 I531 V532 F535 M539	L451-I537 HydrophobicContact CB-CD1 4.09Å; R454-I537 HydrophobicContact CB-CG2 3.57Å; Q455-I537 HydrophobicContact CB-CD1 4.26Å; Q455-I537 HydrophobicContact CB-CG1 4.11Å; Q455-I537 HydrophobicContact CG-CG1 4.39Å; W490-I537 HydrophobicContact CH2-CD1 4.22Å; W490-I537 HydrophobicContact CZ2-CD1 4.46Å; I531-I537 HydrophobicContact CG2-CD1 4.01Å; V532-I537 HydrophobicContact CG1-CB 4.34Å; V532-I537 HydrophobicContact CG2-CB 4.4Å; V532-I537 PolarHBondContact O-N 3.44Å; F535-I537 VanDerWaalsContact C-N 3.29Å; F535-I537 HydrophobicContact CB-CD1 4.15Å; F535-I537 HydrophobicContact CB-CG1 3.74Å; F535-I537 PolarHBondContact O-N 2.77Å; I537-M539 PolarHBondContact O-N 3.04Å
538	N	88.8	Confident	89.8	Confident	91 Å²	91	56.4 Å²	56.4	49%	0.487	29%	0.29	S	S	.	.			trans	-72.4	108.2	171.5	-178	4.8	0	0	0	110.2	N536 D540 A541	N536-N538 PolarHBondContact O-N 2.85Å; N538-D540 PolarHBondContact O-N 2.93Å; N538-D540 WeakPolarHBondContact OD1-CB 3.33Å; N538-D540 PolarHBondContact OD1-N 3.38Å; N538-A541 HydrophobicContact CB-CB 4.18Å; N538-A541 WeakPolarHBondContact O-CB 3.42Å; N538-A541 PolarHBondContact O-N 3.4Å
539	M	86	Confident	90.4	Very high	57 Å²	57	55.6 Å²	55.6	28%	0.281	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.7	-179.7	-69	-62.7	-77	0	0	113.7	L451 R454 V532 I537 A541	L451-M539 HydrophobicContact CD2-CE 4.39Å; L451-M539 HydrophobicContact CD2-SD 3.92Å; R454-M539 PolarHBondContact NE-O 3.22Å; V532-M539 HydrophobicContact CG1-CG 4.06Å; V532-M539 HydrophobicContact CG1-SD 4.36Å; V532-M539 HydrophobicContact CG2-CG 4.36Å; V532-M539 HydrophobicContact CG2-SD 3.6Å; V532-M539 VanDerWaalsContact CG2-SD 3.6Å; I537-M539 PolarHBondContact O-N 3.04Å; M539-A541 VanDerWaalsContact C-N 3.34Å
540	D	85.2	Confident	90.9	Very high	156 Å²	156	49.9 Å²	49.9	83%	0.834	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.6	176.1	-61.3	-42.9	0	0	0	112.8	N538	N538-D540 PolarHBondContact O-N 2.93Å; N538-D540 WeakPolarHBondContact OD1-CB 3.33Å; N538-D540 PolarHBondContact OD1-N 3.38Å
541	A	86.4	Confident	91.2	Very high	30 Å²	30	49.6 Å²	49.6	25%	0.248	25%	0.253	C	S	.	.	S	Bend	trans	-69.8	146.7	177	0	0	0	0	0	111.8	R454 N538 M539 G543	R454-A541 HydrophobicContact CB-CB 4.4Å; R454-A541 HydrophobicContact CG-CB 4.2Å; R454-A541 WeakPolarHBondContact CG-O 3.07Å; R454-A541 PolarHBondContact NE-O 2.93Å; N538-A541 HydrophobicContact CB-CB 4.18Å; N538-A541 WeakPolarHBondContact O-CB 3.42Å; N538-A541 PolarHBondContact O-N 3.4Å; M539-A541 VanDerWaalsContact C-N 3.34Å; A541-G543 PolarHBondContact O-N 3.34Å
542	E	87.4	Confident	91.4	Very high	128 Å²	128	49.6 Å²	49.6	60%	0.598	25%	0.253	S	S	*	.			trans	-71	121.4	173	-171.5	179.3	-174	0	0	109.5	K572	E542-K572 WeakPolarHBondContact OE1-CD 3.39Å; E542-K572 IonicContact OE1-NZ 3.7Å; E542-K572 PolarHBondContact OE1-NZ 3.21Å
543	G	90.7	Very high	91.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.			trans	-102.4	111.7	171.2	0	0	0	0	0	110	A541 G571 K572	A541-G543 PolarHBondContact O-N 3.34Å; G543-G571 CarbonylContact O-C 3.58Å; G543-G571 WeakPolarHBondContact O-CA 3.32Å; G543-K572 PolarHBondContact O-N 3.05Å
544	T	94.8	Very high	91.3	Very high	18 Å²	18	43.5 Å²	43.5	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.2	177.3	-58.2	0	0	0	0	110.8	T459 V460 K572 I574	T459-T544 WeakPolarHBondContact CA-O 3.23Å; T459-T544 HydrophobicContact CG2-CG2 3.95Å; V460-T544 PolarHBondContact N-O 3.13Å; T544-K572 HydrophobicContact CG2-CB 4.48Å; T544-K572 HydrophobicContact CG2-CD 4.34Å; T544-K572 HydrophobicContact CG2-CG 4.33Å; T544-I574 HydrophobicContact CG2-CD1 3.58Å; T544-I574 HydrophobicContact CG2-CG1 4.16Å
545	V	96.6	Very high	91.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.5	178.5	-178.6	0	0	0	0	109.5	A449 V450 V460 I462 V566 K572 F573 I574	A449-V545 HydrophobicContact CB-CG1 4.05Å; A449-V545 HydrophobicContact CB-CG2 3.8Å; V450-V545 HydrophobicContact CG2-CG2 3.86Å; V460-V545 CarbonylContact O-C 3.6Å; V460-V545 VanDerWaalsContact O-CA 3.3Å; V460-V545 WeakPolarHBondContact O-CA 3.44Å; I462-V545 HydrophobicContact CD1-CG1 3.84Å; I462-V545 HydrophobicContact CG1-CG1 4.02Å; V545-V566 HydrophobicContact CB-CG1 4.25Å; V545-V566 HydrophobicContact CB-CG2 4.04Å; V545-V566 HydrophobicContact CG1-CG2 4.06Å; V545-V566 HydrophobicContact CG2-CG1 4.34Å; V545-V566 HydrophobicContact CG2-CG2 4.15Å; V545-K572 PolarHBondContact N-O 3.41Å; V545-F573 WeakPolarHBondContact O-CA 3.21Å; V545-I574 PolarHBondContact O-N 3.25Å
546	C	95.9	Very high	90.8	Very high	1 Å²	1	41 Å²	41	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.4	169.4	-62.1	0	0	0	0	109.9	T459 V460 G461 I462 I574 Y576 L584 I588	T459-C546 HydrophobicContact CG2-CB 4.44Å; T459-C546 WeakPolarHBondContact CG2-SG 3.25Å; V460-C546 PolarHBondContact O-N 3.42Å; G461-C546 CarbonylContact C-O 3.39Å; G461-C546 VanDerWaalsContact CA-O 3.3Å; G461-C546 WeakPolarHBondContact CA-O 3.49Å; I462-C546 PolarHBondContact N-O 3.24Å; C546-I574 CarbonylContact C-O 3.57Å; C546-I574 WeakPolarHBondContact CA-O 3.21Å; C546-I574 HydrophobicContact CB-CB 4.46Å; C546-Y576 HydrophobicContact CB-CD2 4.13Å; C546-Y576 HydrophobicContact CB-CE2 3.82Å; C546-L584 HydrophobicContact CB-CD1 4.32Å; C546-I588 HydrophobicContact CB-CD1 3.62Å
547	C	96.7	Very high	90.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.3	179.5	-166.6	0	0	0	0	111.2	I462 F559 F573 I574 Y576	I462-C547 HydrophobicContact CB-CB 4.47Å; I462-C547 VanDerWaalsContact O-CA 3.32Å; I462-C547 WeakPolarHBondContact O-CA 3.25Å; C547-F559 HydrophobicContact CB-CD2 4.33Å; C547-F559 HydrophobicContact CB-CE2 3.65Å; C547-F559 HydrophobicContact CB-CZ 4.12Å; C547-F559 VanDerWaalsContact SG-CD2 3.57Å; C547-F559 WeakPolarHBondContact SG-CE2 3.49Å; C547-F573 HydrophobicContact CB-CE2 3.45Å; C547-F573 VanDerWaalsContact CB-CE2 3.45Å; C547-F573 HydrophobicContact CB-CZ 3.46Å; C547-F573 VanDerWaalsContact CB-CZ 3.46Å; C547-I574 PolarHBondContact N-O 3.23Å; C547-Y576 PolarHBondContact O-N 3.44Å
548	A	96.5	Very high	90.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	165.5	168.4	0	0	0	0	0	110.5	I462 M463 I464 E577 L579 L584	I462-A548 PolarHBondContact O-N 3.33Å; M463-A548 HydrophobicContact SD-CB 4.07Å; I464-A548 PolarHBondContact N-O 3.29Å; A548-E577 CarbonylContact C-O 3.44Å; A548-E577 WeakPolarHBondContact CA-O 3.41Å; A548-L579 HydrophobicContact CB-CB 3.85Å; A548-L579 HydrophobicContact CB-CD1 3.95Å; A548-L579 HydrophobicContact CB-CG 4.02Å; A548-L584 HydrophobicContact CB-CB 4.47Å; A548-L584 HydrophobicContact CB-CD1 4.28Å; A548-L584 HydrophobicContact CB-CD2 4Å; A548-L584 HydrophobicContact CB-CG 4.48Å
549	R	95.9	Very high	90.5	Very high	11 Å²	11	30.5 Å²	30.5	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.8	178.7	57.5	175.6	179.9	90.4	0.1	111.8	I464 G555 F559 E577 I578 L579	I464-R549 HydrophobicContact CB-CB 3.91Å; I464-R549 HydrophobicContact CG2-CB 4.38Å; I464-R549 VanDerWaalsContact O-CA 3.28Å; I464-R549 WeakPolarHBondContact O-CA 3.31Å; R549-G555 VanDerWaalsContact CD-C 3.43Å; R549-G555 WeakPolarHBondContact CD-O 3.26Å; R549-F559 HydrophobicContact CG-CD2 4.37Å; R549-E577 WeakPolarHBondContact CG-O 3.46Å; R549-E577 PolarHBondContact N-O 2.86Å; R549-E577 IonicContact NE-OE2 2.72Å; R549-E577 IonicContact NH2-OE2 3.39Å; R549-I578 WeakPolarHBondContact O-CA 3.31Å; R549-L579 PolarHBondContact O-N 2.7Å
550	D	94.5	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.167	C	C	.	.			trans	-78	-168.5	164.7	70.7	11.5	0	0	0	111.8	M463 I464 T465 R552 V637	M463-D550 HydrophobicContact CE-CB 4.44Å; I464-D550 PolarHBondContact O-N 3.49Å; T465-D550 WeakPolarHBondContact CA-OD2 3.31Å; T465-D550 VanDerWaalsContact CB-OD2 3.28Å; T465-D550 WeakPolarHBondContact CB-OD2 3.35Å; T465-D550 PolarHBondContact OG1-OD2 3.19Å; D550-R552 VanDerWaalsContact C-N 3.31Å; D550-R552 PolarHBondContact O-N 2.72Å; D550-R552 WeakPolarHBondContact OD1-CB 2.72Å; D550-R552 WeakPolarHBondContact OD1-CD 3.18Å; D550-R552 WeakPolarHBondContact OD1-CG 3.47Å; D550-R552 PolarHBondContact OD1-N 2.83Å; D550-R552 IonicContact OD1-NE 3.24Å; D550-R552 VanDerWaalsContact OD2-CD 3.25Å; D550-R552 WeakPolarHBondContact OD2-CD 3.22Å; D550-R552 IonicContact OD2-NE 3.92Å; D550-R552 PolarHBondContact OD2-NE 2.72Å; D550-V637 HydrophobicContact CB-CG1 4.4Å
551	T	91.9	Very high	90.6	Very high	38 Å²	38	22.8 Å²	22.8	23%	0.233	13%	0.131	C	C	.	.	S	Bend	trans	-84	5.5	-178.3	48.2	0	0	0	0	114.3	I578 V637	T551-I578 HydrophobicContact CG2-CG2 4.45Å; T551-V637 HydrophobicContact CG2-CB 4Å
552	R	91.7	Very high	90.7	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	12%	0.119	C	C	.	.			trans	-61.3	135.3	178.6	-70.6	166.7	-173	-84.7	-10	110.5	S467 N469 P470 D473 D550 S554 G555 L666	S467-R552 PolarHBondContact O-NH2 3.09Å; N469-R552 PolarHBondContact O-NH2 3.23Å; P470-R552 PolarHBondContact O-NH1 3.21Å; D473-R552 WeakPolarHBondContact O-CD 3.13Å; D473-R552 PolarHBondContact O-NH1 2.89Å; D550-R552 VanDerWaalsContact C-N 3.31Å; D550-R552 PolarHBondContact O-N 2.72Å; D550-R552 WeakPolarHBondContact OD1-CB 2.72Å; D550-R552 WeakPolarHBondContact OD1-CD 3.18Å; D550-R552 WeakPolarHBondContact OD1-CG 3.47Å; D550-R552 PolarHBondContact OD1-N 2.83Å; D550-R552 IonicContact OD1-NE 3.24Å; D550-R552 VanDerWaalsContact OD2-CD 3.25Å; D550-R552 WeakPolarHBondContact OD2-CD 3.22Å; D550-R552 IonicContact OD2-NE 3.92Å; D550-R552 PolarHBondContact OD2-NE 2.72Å; R552-S554 VanDerWaalsContact C-N 3.26Å; R552-S554 PolarHBondContact O-N 2.89Å; R552-G555 WeakPolarHBondContact O-CA 3.43Å; R552-G555 PolarHBondContact O-N 2.71Å; R552-L666 HydrophobicContact CG-CD2 3.61Å
553	P	88	Confident	90.8	Very high	61 Å²	61	21.1 Å²	21.1	40%	0.396	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-39.4	178.3	-27.5	34.9	0	0	0	113.3	I471 G555 I556	I471-P553 HydrophobicContact CD1-CG 4.19Å; P553-G555 PolarHBondContact O-N 3.4Å; P553-I556 PolarHBondContact O-N 2.7Å
554	S	88.6	Confident	90.5	Very high	24 Å²	24	21.6 Å²	21.6	17%	0.168	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.9	175.7	59.3	0	0	0	0	113.9	A435 N474 R552 I556 S557 L558	A435-S554 VanDerWaalsContact CB-CB 3.45Å; A435-S554 WeakPolarHBondContact CB-OG 3.36Å; N474-S554 PolarHBondContact ND2-OG 2.92Å; R552-S554 VanDerWaalsContact C-N 3.26Å; R552-S554 PolarHBondContact O-N 2.89Å; S554-I556 VanDerWaalsContact C-N 3.27Å; S554-I556 PolarHBondContact O-N 2.62Å; S554-S557 PolarHBondContact O-N 3.27Å; S554-S557 PolarHBondContact O-OG 3.08Å; S554-L558 WeakPolarHBondContact O-CD1 3.44Å; S554-L558 VanDerWaalsContact O-CG 3.23Å; S554-L558 WeakPolarHBondContact O-CG 3.3Å; S554-L558 PolarHBondContact O-N 3.33Å; S554-L558 VanDerWaalsContact O-N 3.15Å
555	G	87.6	Confident	90	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-33.8	178.4	0	0	0	0	0	112.6	N474 R549 R552 P553 S557 F559	N474-G555 PolarHBondContact ND2-N 3.44Å; R549-G555 VanDerWaalsContact CD-C 3.43Å; R549-G555 WeakPolarHBondContact CD-O 3.26Å; R552-G555 WeakPolarHBondContact O-CA 3.43Å; R552-G555 PolarHBondContact O-N 2.71Å; P553-G555 PolarHBondContact O-N 3.4Å; G555-S557 VanDerWaalsContact C-N 3.34Å; G555-S557 PolarHBondContact O-N 3.01Å; G555-F559 WeakPolarHBondContact O-CB 3.28Å; G555-F559 PolarHBondContact O-N 2.97Å
556	I	84.5	Confident	89.6	Confident	86 Å²	86	20.7 Å²	20.7	44%	0.441	11%	0.111	S	C	.	.	H	α-helix	trans	-60.5	-45.6	-179.8	-63.1	169.2	0	0	0	110.7	P553 S554 S560	P553-I556 PolarHBondContact O-N 2.7Å; S554-I556 VanDerWaalsContact C-N 3.27Å; S554-I556 PolarHBondContact O-N 2.62Å; I556-S560 PolarHBondContact O-N 3.23Å
557	S	83.4	Confident	89.1	Confident	12 Å²	12	24 Å²	24	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-74.4	-45.3	-178.5	61.7	0	0	0	0	113.3	S554 G555 F559 S560 I561	S554-S557 PolarHBondContact O-N 3.27Å; S554-S557 PolarHBondContact O-OG 3.08Å; G555-S557 VanDerWaalsContact C-N 3.34Å; G555-S557 PolarHBondContact O-N 3.01Å; S557-F559 PolarHBondContact O-N 3.35Å; S557-S560 PolarHBondContact O-N 3.25Å; S557-S560 PolarHBondContact O-OG 2.93Å; S557-I561 VanDerWaalsContact O-CG1 3.26Å; S557-I561 WeakPolarHBondContact O-CG1 3.49Å; S557-I561 PolarHBondContact O-N 2.98Å
558	L	89.2	Confident	88.2	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-32.1	178.4	-63.3	168.9	0	0	0	110.5	A435 L438 M442 I464 N474 S554 I561 V562	A435-L558 HydrophobicContact CB-CD1 4.4Å; L438-L558 HydrophobicContact CB-CD2 3.92Å; L438-L558 HydrophobicContact CD1-CD1 4.39Å; M442-L558 HydrophobicContact CE-CB 4.09Å; M442-L558 HydrophobicContact CE-CD1 3.87Å; M442-L558 HydrophobicContact CE-CD2 4.16Å; M442-L558 HydrophobicContact CE-CG 4.24Å; M442-L558 HydrophobicContact CG-CB 3.9Å; M442-L558 HydrophobicContact CG-CD2 3.58Å; M442-L558 HydrophobicContact CG-CG 4.24Å; M442-L558 HydrophobicContact SD-CB 4.1Å; I464-L558 HydrophobicContact CD1-CB 4.39Å; I464-L558 HydrophobicContact CG2-CB 4.14Å; I464-L558 HydrophobicContact CG2-CD1 4.46Å; N474-L558 HydrophobicContact CB-CD1 3.62Å; S554-L558 WeakPolarHBondContact O-CD1 3.44Å; S554-L558 VanDerWaalsContact O-CG 3.23Å; S554-L558 WeakPolarHBondContact O-CG 3.3Å; S554-L558 PolarHBondContact O-N 3.33Å; S554-L558 VanDerWaalsContact O-N 3.15Å; L558-I561 PolarHBondContact O-N 3.17Å; L558-V562 WeakPolarHBondContact O-CG2 3.35Å; L558-V562 PolarHBondContact O-N 2.95Å
559	F	88.4	Confident	87.4	Confident	15 Å²	15	25.9 Å²	25.9	7%	0.066	14%	0.137	C	C	.	.	H	α-helix	trans	-63.6	-46	175.3	-172.4	-84.2	0	0	0	113.4	I464 C547 R549 G555 S557 I561 V562 R563 F573 S575	I464-F559 HydrophobicContact CD1-CB 3.83Å; I464-F559 HydrophobicContact CD1-CD2 4.09Å; I464-F559 HydrophobicContact CD1-CG 4.4Å; C547-F559 HydrophobicContact CB-CD2 4.33Å; C547-F559 HydrophobicContact CB-CE2 3.65Å; C547-F559 HydrophobicContact CB-CZ 4.12Å; C547-F559 VanDerWaalsContact SG-CD2 3.57Å; C547-F559 WeakPolarHBondContact SG-CE2 3.49Å; R549-F559 HydrophobicContact CG-CD2 4.37Å; G555-F559 WeakPolarHBondContact O-CB 3.28Å; G555-F559 PolarHBondContact O-N 2.97Å; S557-F559 PolarHBondContact O-N 3.35Å; F559-I561 VanDerWaalsContact C-N 3.25Å; F559-I561 PolarHBondContact O-N 3.4Å; F559-V562 PolarHBondContact O-N 3.21Å; F559-R563 PolarHBondContact O-N 2.76Å; F559-F573 HydrophobicContact CD1-CZ 4.29Å; F559-F573 AromaticContact CE1-CE1 3.6Å; F559-F573 HydrophobicContact CE1-CE1 3.6Å; F559-F573 AromaticContact CE1-CZ 3.58Å; F559-F573 HydrophobicContact CE1-CZ 3.58Å; F559-F573 HydrophobicContact CE2-CZ 4.07Å; F559-F573 AromaticContact CZ-CE1 3.6Å; F559-F573 HydrophobicContact CZ-CE1 3.6Å; F559-F573 AromaticContact CZ-CZ 3.43Å; F559-F573 HydrophobicContact CZ-CZ 3.43Å; F559-F573 VanDerWaalsContact CZ-CZ 3.43Å; F559-S575 WeakPolarHBondContact CZ-OG 3.4Å
560	S	85.2	Confident	86.8	Confident	39 Å²	39	33.3 Å²	33.3	27%	0.273	17%	0.165	S	C	.	.	H	α-helix	trans	-65	-32.6	176.9	66	0	0	0	0	111.9	I556 S557 R563 A564	I556-S560 PolarHBondContact O-N 3.23Å; S557-S560 PolarHBondContact O-N 3.25Å; S557-S560 PolarHBondContact O-OG 2.93Å; S560-R563 WeakPolarHBondContact O-CB 3.29Å; S560-R563 PolarHBondContact O-N 3.2Å; S560-A564 PolarHBondContact O-N 2.9Å
561	I	88	Confident	86.4	Confident	12 Å²	12	33.8 Å²	33.8	6%	0.062	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-42.1	176.5	-60.1	173.8	0	0	0	111.8	F416 P439 M442 F443 S557 L558 F559 R563 A564 G565	F416-I561 HydrophobicContact CD1-CD1 4.02Å; F416-I561 HydrophobicContact CD1-CG1 4.01Å; F416-I561 HydrophobicContact CD1-CG2 3.74Å; F416-I561 HydrophobicContact CE1-CB 4.31Å; F416-I561 HydrophobicContact CE1-CD1 3.71Å; F416-I561 HydrophobicContact CE1-CG1 3.47Å; F416-I561 VanDerWaalsContact CE1-CG1 3.47Å; F416-I561 HydrophobicContact CE1-CG2 4.01Å; F416-I561 HydrophobicContact CG-CG2 4.4Å; F416-I561 HydrophobicContact CZ-CG1 4.25Å; P439-I561 HydrophobicContact CB-CD1 3.89Å; P439-I561 HydrophobicContact CG-CD1 4.34Å; P439-I561 WeakPolarHBondContact O-CG2 3.47Å; M442-I561 HydrophobicContact CB-CB 4.11Å; M442-I561 HydrophobicContact CB-CG2 3.76Å; F443-I561 HydrophobicContact CB-CG2 3.71Å; S557-I561 VanDerWaalsContact O-CG1 3.26Å; S557-I561 WeakPolarHBondContact O-CG1 3.49Å; S557-I561 PolarHBondContact O-N 2.98Å; L558-I561 PolarHBondContact O-N 3.17Å; F559-I561 VanDerWaalsContact C-N 3.25Å; F559-I561 PolarHBondContact O-N 3.4Å; I561-R563 VanDerWaalsContact C-N 3.3Å; I561-R563 PolarHBondContact O-N 2.9Å; I561-A564 PolarHBondContact O-N 3.27Å; I561-G565 PolarHBondContact O-N 3.33Å; I561-G565 VanDerWaalsContact O-N 3.08Å
562	V	90.2	Very high	86.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-45.3	172.6	172	0	0	0	0	110.2	M442 I462 I464 L476 L558 F559 A564 G565 V566 F573	M442-V562 HydrophobicContact CB-CG2 3.88Å; M442-V562 HydrophobicContact CG-CG2 4.4Å; M442-V562 HydrophobicContact SD-CG2 3.92Å; I462-V562 HydrophobicContact CB-CG1 4.48Å; I462-V562 HydrophobicContact CD1-CG1 3.44Å; I462-V562 VanDerWaalsContact CD1-CG1 3.44Å; I462-V562 HydrophobicContact CG2-CG1 4.12Å; I462-V562 HydrophobicContact CG2-CG2 4.35Å; I464-V562 HydrophobicContact CD1-CG2 3.96Å; L476-V562 HydrophobicContact CD1-CG2 3.79Å; L558-V562 WeakPolarHBondContact O-CG2 3.35Å; L558-V562 PolarHBondContact O-N 2.95Å; F559-V562 PolarHBondContact O-N 3.21Å; V562-A564 VanDerWaalsContact C-N 3.35Å; V562-A564 PolarHBondContact O-N 3.26Å; V562-G565 CarbonylContact O-C 3.35Å; V562-G565 WeakPolarHBondContact O-CA 3.3Å; V562-G565 PolarHBondContact O-N 2.83Å; V562-G565 VanDerWaalsContact O-N 3.09Å; V562-V566 WeakPolarHBondContact O-CG2 3.48Å; V562-V566 PolarHBondContact O-N 2.91Å; V562-F573 HydrophobicContact CG1-CE2 4.16Å
563	R	89.5	Confident	86.4	Confident	124 Å²	124	38.4 Å²	38.4	47%	0.468	19%	0.187	S	C	.	.	H	α-helix	trans	-56	-48.7	177.5	177.6	179.4	177.5	-180	-1.2	111.7	F559 S560 I561 G565 V566 E567 F573	F559-R563 PolarHBondContact O-N 2.76Å; S560-R563 WeakPolarHBondContact O-CB 3.29Å; S560-R563 PolarHBondContact O-N 3.2Å; I561-R563 VanDerWaalsContact C-N 3.3Å; I561-R563 PolarHBondContact O-N 2.9Å; R563-G565 VanDerWaalsContact C-N 3.27Å; R563-G565 PolarHBondContact O-N 3.28Å; R563-V566 PolarHBondContact O-N 2.91Å; R563-E567 HydrophobicContact CG-CG 4.27Å; R563-E567 IonicContact CZ-OE1 2.66Å; R563-E567 IonicContact NE-OE1 3.19Å; R563-E567 PolarHBondContact NE-OE1 3.14Å; R563-E567 IonicContact NE-OE2 3.83Å; R563-E567 IonicContact NH2-OE1 3.27Å; R563-E567 PolarHBondContact NH2-OE1 3.44Å; R563-E567 WeakPolarHBondContact O-CG 3.28Å; R563-E567 PolarHBondContact O-N 3.23Å; R563-F573 HydrophobicContact CB-CD1 4.16Å; R563-F573 HydrophobicContact CB-CD2 4.15Å; R563-F573 HydrophobicContact CB-CE1 3.92Å; R563-F573 HydrophobicContact CB-CE2 3.91Å; R563-F573 HydrophobicContact CB-CG 4.25Å; R563-F573 HydrophobicContact CB-CZ 3.78Å; R563-F573 HydrophobicContact CG-CD1 3.8Å; R563-F573 HydrophobicContact CG-CD2 4.34Å; R563-F573 HydrophobicContact CG-CE1 4Å; R563-F573 HydrophobicContact CG-CG 3.96Å; R563-F573 HydrophobicContact CG-CZ 4.34Å
564	A	83.7	Confident	86.6	Confident	9 Å²	9	36.5 Å²	36.5	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-41	175.8	0	0	0	0	0	112.4	I396 F443 S560 I561 V562 V566 I568	I396-A564 HydrophobicContact CD1-CB 3.53Å; I396-A564 HydrophobicContact CG1-CB 4.47Å; F443-A564 HydrophobicContact CD2-CB 4.28Å; F443-A564 HydrophobicContact CE2-CB 4.26Å; S560-A564 PolarHBondContact O-N 2.9Å; I561-A564 PolarHBondContact O-N 3.27Å; V562-A564 VanDerWaalsContact C-N 3.35Å; V562-A564 PolarHBondContact O-N 3.26Å; A564-V566 VanDerWaalsContact C-N 3.3Å; A564-V566 PolarHBondContact O-N 3.43Å; A564-I568 WeakPolarHBondContact O-CB 3.27Å; A564-I568 WeakPolarHBondContact O-CG2 3.18Å; A564-I568 PolarHBondContact O-N 2.92Å
565	G	84.9	Confident	86.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-25.7	175	0	0	0	0	0	114.8	F443 G446 I447 I561 V562 R563 I568	F443-G565 WeakPolarHBondContact O-CA 3.36Å; G446-G565 CarbonylContact C-O 3.43Å; I447-G565 WeakPolarHBondContact CA-O 3.37Å; I447-G565 WeakPolarHBondContact CG1-O 3.39Å; I447-G565 PolarHBondContact N-O 3.38Å; I447-G565 VanDerWaalsContact N-O 3.11Å; I561-G565 PolarHBondContact O-N 3.33Å; I561-G565 VanDerWaalsContact O-N 3.08Å; V562-G565 CarbonylContact O-C 3.35Å; V562-G565 WeakPolarHBondContact O-CA 3.3Å; V562-G565 PolarHBondContact O-N 2.83Å; V562-G565 VanDerWaalsContact O-N 3.09Å; R563-G565 VanDerWaalsContact C-N 3.27Å; R563-G565 PolarHBondContact O-N 3.28Å; G565-I568 WeakPolarHBondContact O-CG2 3.4Å
566	V	88.2	Confident	86.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-83.1	-46.5	175.9	170.3	0	0	0	0	111.1	G446 V450 V545 V562 R563 A564 V569 G571 F573	G446-V566 WeakPolarHBondContact O-CG2 3.38Å; V450-V566 HydrophobicContact CG2-CB 4.13Å; V450-V566 HydrophobicContact CG2-CG1 3.73Å; V450-V566 HydrophobicContact CG2-CG2 4.17Å; V545-V566 HydrophobicContact CB-CG1 4.25Å; V545-V566 HydrophobicContact CB-CG2 4.04Å; V545-V566 HydrophobicContact CG1-CG2 4.06Å; V545-V566 HydrophobicContact CG2-CG1 4.34Å; V545-V566 HydrophobicContact CG2-CG2 4.15Å; V562-V566 WeakPolarHBondContact O-CG2 3.48Å; V562-V566 PolarHBondContact O-N 2.91Å; R563-V566 PolarHBondContact O-N 2.91Å; A564-V566 VanDerWaalsContact C-N 3.3Å; A564-V566 PolarHBondContact O-N 3.43Å; V566-V569 WeakPolarHBondContact O-CG2 3.48Å; V566-V569 PolarHBondContact O-N 3.34Å; V566-G571 WeakPolarHBondContact O-CA 3.42Å; V566-G571 PolarHBondContact O-N 3.46Å; V566-F573 HydrophobicContact CB-CB 4.44Å; V566-F573 HydrophobicContact CB-CD2 4.06Å; V566-F573 HydrophobicContact CG1-CB 3.9Å; V566-F573 HydrophobicContact CG1-CD2 4.2Å; V566-F573 HydrophobicContact CG2-CD2 4Å
567	E	84.5	Confident	87.2	Confident	70 Å²	70	37.7 Å²	37.7	33%	0.327	18%	0.178	S	C	.	.	H	α-helix	trans	-69	-38	-173	-71.4	176.2	161.6	0	0	112.6	R563 V569 R570	R563-E567 HydrophobicContact CG-CG 4.27Å; R563-E567 IonicContact CZ-OE1 2.66Å; R563-E567 IonicContact NE-OE1 3.19Å; R563-E567 PolarHBondContact NE-OE1 3.14Å; R563-E567 IonicContact NE-OE2 3.83Å; R563-E567 IonicContact NH2-OE1 3.27Å; R563-E567 PolarHBondContact NH2-OE1 3.44Å; R563-E567 WeakPolarHBondContact O-CG 3.28Å; R563-E567 PolarHBondContact O-N 3.23Å; E567-V569 VanDerWaalsContact C-N 3.28Å; E567-V569 PolarHBondContact O-N 3.44Å; E567-R570 WeakPolarHBondContact O-CA 3.38Å; E567-R570 PolarHBondContact O-N 3.47Å
568	I	78.7	Confident	87.7	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.062	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-42.9	173.9	178.2	-167.1	0	0	0	113.8	V398 M407 F443 I447 A564 G565 R570	V398-I568 HydrophobicContact CG1-CB 4.28Å; M407-I568 HydrophobicContact CB-CD1 3.86Å; M407-I568 HydrophobicContact CB-CG1 3.89Å; M407-I568 HydrophobicContact CE-CD1 3.27Å; M407-I568 HydrophobicContact CE-CG1 3.66Å; M407-I568 HydrophobicContact CG-CD1 3.61Å; M407-I568 HydrophobicContact CG-CG1 3.69Å; M407-I568 HydrophobicContact SD-CD1 3.04Å; M407-I568 WeakPolarHBondContact SD-CD1 3.17Å; M407-I568 HydrophobicContact SD-CG1 3.77Å; F443-I568 HydrophobicContact CE1-CD1 4.41Å; F443-I568 HydrophobicContact CZ-CD1 3.75Å; I447-I568 HydrophobicContact CD1-CD1 4.28Å; I447-I568 HydrophobicContact CD1-CG2 4.41Å; I447-I568 HydrophobicContact CG1-CG2 3.96Å; A564-I568 WeakPolarHBondContact O-CB 3.27Å; A564-I568 WeakPolarHBondContact O-CG2 3.18Å; A564-I568 PolarHBondContact O-N 2.92Å; G565-I568 WeakPolarHBondContact O-CG2 3.4Å; I568-R570 VanDerWaalsContact C-N 3.25Å; I568-R570 PolarHBondContact O-N 3.24Å
569	V	78.2	Confident	88	Confident	27 Å²	27	38.1 Å²	38.1	16%	0.164	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	20.1	-179.4	-71.8	0	0	0	0	112.3	I447 V450 R454 V566 E567 G571	I447-V569 HydrophobicContact CG1-CG1 4.29Å; I447-V569 HydrophobicContact CG2-CG1 3.91Å; I447-V569 HydrophobicContact CG2-CG2 4.39Å; V450-V569 HydrophobicContact CB-CG2 3.71Å; V450-V569 HydrophobicContact CG1-CG2 3.85Å; V450-V569 HydrophobicContact CG2-CG2 3.78Å; R454-V569 PolarHBondContact NH1-O 3.03Å; R454-V569 PolarHBondContact NH2-O 3.2Å; V566-V569 WeakPolarHBondContact O-CG2 3.48Å; V566-V569 PolarHBondContact O-N 3.34Å; E567-V569 VanDerWaalsContact C-N 3.28Å; E567-V569 PolarHBondContact O-N 3.44Å; V569-G571 PolarHBondContact O-N 2.94Å
570	R	84	Confident	88.4	Confident	167 Å²	167	37.4 Å²	37.4	63%	0.63	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	34.7	-178.9	-54.3	178.5	179.2	179.3	-1.7	112.8	E567 I568	E567-R570 WeakPolarHBondContact O-CA 3.38Å; E567-R570 PolarHBondContact O-N 3.47Å; I568-R570 VanDerWaalsContact C-N 3.25Å; I568-R570 PolarHBondContact O-N 3.24Å
571	G	86.4	Confident	88.9	Confident	11 Å²	11	35.6 Å²	35.6	11%	0.113	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-80.9	153.5	169.6	0	0	0	0	0	111.6	G543 V566 V569	G543-G571 CarbonylContact O-C 3.58Å; G543-G571 WeakPolarHBondContact O-CA 3.32Å; V566-G571 WeakPolarHBondContact O-CA 3.42Å; V566-G571 PolarHBondContact O-N 3.46Å; V569-G571 PolarHBondContact O-N 2.94Å
572	K	91.2	Very high	89.3	Confident	102 Å²	102	35 Å²	35	44%	0.443	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.6	173.5	177.3	172.7	175.2	-178.2	0	110	E542 G543 T544 V545	E542-K572 WeakPolarHBondContact OE1-CD 3.39Å; E542-K572 IonicContact OE1-NZ 3.7Å; E542-K572 PolarHBondContact OE1-NZ 3.21Å; G543-K572 PolarHBondContact O-N 3.05Å; T544-K572 HydrophobicContact CG2-CB 4.48Å; T544-K572 HydrophobicContact CG2-CD 4.34Å; T544-K572 HydrophobicContact CG2-CG 4.33Å; V545-K572 PolarHBondContact N-O 3.41Å
573	F	91.9	Very high	89.5	Confident	34 Å²	34	35 Å²	35	15%	0.149	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.2	179.1	-172.6	-96.9	0	0	0	111.5	V545 C547 F559 V562 R563 V566	V545-F573 WeakPolarHBondContact O-CA 3.21Å; C547-F573 HydrophobicContact CB-CE2 3.45Å; C547-F573 VanDerWaalsContact CB-CE2 3.45Å; C547-F573 HydrophobicContact CB-CZ 3.46Å; C547-F573 VanDerWaalsContact CB-CZ 3.46Å; F559-F573 HydrophobicContact CD1-CZ 4.29Å; F559-F573 AromaticContact CE1-CE1 3.6Å; F559-F573 HydrophobicContact CE1-CE1 3.6Å; F559-F573 AromaticContact CE1-CZ 3.58Å; F559-F573 HydrophobicContact CE1-CZ 3.58Å; F559-F573 HydrophobicContact CE2-CZ 4.07Å; F559-F573 AromaticContact CZ-CE1 3.6Å; F559-F573 HydrophobicContact CZ-CE1 3.6Å; F559-F573 AromaticContact CZ-CZ 3.43Å; F559-F573 HydrophobicContact CZ-CZ 3.43Å; F559-F573 VanDerWaalsContact CZ-CZ 3.43Å; V562-F573 HydrophobicContact CG1-CE2 4.16Å; R563-F573 HydrophobicContact CB-CD1 4.16Å; R563-F573 HydrophobicContact CB-CD2 4.15Å; R563-F573 HydrophobicContact CB-CE1 3.92Å; R563-F573 HydrophobicContact CB-CE2 3.91Å; R563-F573 HydrophobicContact CB-CG 4.25Å; R563-F573 HydrophobicContact CB-CZ 3.78Å; R563-F573 HydrophobicContact CG-CD1 3.8Å; R563-F573 HydrophobicContact CG-CD2 4.34Å; R563-F573 HydrophobicContact CG-CE1 4Å; R563-F573 HydrophobicContact CG-CG 3.96Å; R563-F573 HydrophobicContact CG-CZ 4.34Å; V566-F573 HydrophobicContact CB-CB 4.44Å; V566-F573 HydrophobicContact CB-CD2 4.06Å; V566-F573 HydrophobicContact CG1-CB 3.9Å; V566-F573 HydrophobicContact CG1-CD2 4.2Å; V566-F573 HydrophobicContact CG2-CD2 4Å
574	I	91.9	Very high	89.9	Confident	20 Å²	20	29.1 Å²	29.1	10%	0.103	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.7	175.4	-60.4	179.4	0	0	0	109	T544 V545 C546 C547 Y576	T544-I574 HydrophobicContact CG2-CD1 3.58Å; T544-I574 HydrophobicContact CG2-CG1 4.16Å; V545-I574 PolarHBondContact O-N 3.25Å; C546-I574 CarbonylContact C-O 3.57Å; C546-I574 WeakPolarHBondContact CA-O 3.21Å; C546-I574 HydrophobicContact CB-CB 4.46Å; C547-I574 PolarHBondContact N-O 3.23Å; I574-Y576 HydrophobicContact CG2-CD2 4.33Å; I574-Y576 HydrophobicContact CG2-CE2 3.75Å
575	S	92.7	Very high	90.5	Very high	40 Å²	40	28.7 Å²	28.7	28%	0.28	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.2	174.4	-177.9	0	0	0	0	111.9	F559 E577	F559-S575 WeakPolarHBondContact CZ-OG 3.4Å; S575-E577 PolarHBondContact OG-N 3.08Å; S575-E577 PolarHBondContact OG-OE1 3.24Å
576	Y	91.2	Very high	90.9	Very high	26 Å²	26	29.3 Å²	29.3	10%	0.102	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	4.5	160.2	-71.2	-86.7	0	0	0	112.7	C546 C547 I574 I578 L579 L584 I587 R597 W598	C546-Y576 HydrophobicContact CB-CD2 4.13Å; C546-Y576 HydrophobicContact CB-CE2 3.82Å; C547-Y576 PolarHBondContact O-N 3.44Å; I574-Y576 HydrophobicContact CG2-CD2 4.33Å; I574-Y576 HydrophobicContact CG2-CE2 3.75Å; Y576-I578 PolarHBondContact O-N 2.71Å; Y576-L579 VanDerWaalsContact CB-CD1 3.47Å; Y576-L579 HydrophobicContact CD1-CD1 4.16Å; Y576-L579 HydrophobicContact CG-CD1 3.85Å; Y576-L584 HydrophobicContact CD2-CD1 4.29Å; Y576-I587 HydrophobicContact CD1-CD1 4.22Å; Y576-I587 HydrophobicContact CE1-CD1 4.14Å; Y576-I587 HydrophobicContact CE1-CG2 4.14Å; Y576-I587 HydrophobicContact CE2-CG2 4.08Å; Y576-R597 WeakPolarHBondContact OH-CG 3.39Å; Y576-R597 PolarHBondContact OH-NE 3.43Å; Y576-W598 WeakPolarHBondContact CE1-O 3.43Å; Y576-W598 PolarHBondContact OH-O 3.41Å
577	E	90.1	Very high	91.2	Very high	69 Å²	69	29.3 Å²	29.3	32%	0.322	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.8	-101.9	-175.6	-64.1	-58.7	133.9	0	0	112.6	A548 R549 S575	A548-E577 CarbonylContact C-O 3.44Å; A548-E577 WeakPolarHBondContact CA-O 3.41Å; R549-E577 WeakPolarHBondContact CG-O 3.46Å; R549-E577 PolarHBondContact N-O 2.86Å; R549-E577 IonicContact NE-OE2 2.72Å; R549-E577 IonicContact NH2-OE2 3.39Å; S575-E577 PolarHBondContact OG-N 3.08Å; S575-E577 PolarHBondContact OG-OE1 3.24Å
578	I	93.3	Very high	91.8	Very high	24 Å²	24	26 Å²	26	12%	0.123	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.7	-172.1	-62.5	173.2	0	0	0	109.3	R549 T551 Y576 V637 K641	R549-I578 WeakPolarHBondContact O-CA 3.31Å; T551-I578 HydrophobicContact CG2-CG2 4.45Å; Y576-I578 PolarHBondContact O-N 2.71Å; I578-V637 HydrophobicContact CG2-CB 4.39Å; I578-V637 HydrophobicContact CG2-CG2 3.4Å; I578-K641 VanDerWaalsContact O-CE 3.28Å; I578-K641 WeakPolarHBondContact O-CE 3.45Å; I578-K641 PolarHBondContact O-NZ 2.66Å
579	L	95.1	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.129	C	C	.	.			trans	-137.7	161.5	173	-68.4	-177.9	0	0	0	110.6	M463 A548 R549 Y576 Q583 L584 I587 E600	M463-L579 WeakPolarHBondContact CE-O 3.48Å; A548-L579 HydrophobicContact CB-CB 3.85Å; A548-L579 HydrophobicContact CB-CD1 3.95Å; A548-L579 HydrophobicContact CB-CG 4.02Å; R549-L579 PolarHBondContact O-N 2.7Å; Y576-L579 VanDerWaalsContact CB-CD1 3.47Å; Y576-L579 HydrophobicContact CD1-CD1 4.16Å; Y576-L579 HydrophobicContact CG-CD1 3.85Å; L579-Q583 HydrophobicContact CB-CB 4.12Å; L579-Q583 HydrophobicContact CD1-CB 4.4Å; L579-Q583 HydrophobicContact CD2-CB 4.32Å; L579-L584 HydrophobicContact CD1-CB 4.29Å; L579-L584 HydrophobicContact CD1-CD1 4.34Å; L579-I587 HydrophobicContact CD1-CD1 3.79Å; L579-E600 HydrophobicContact CD2-CB 4.33Å; L579-E600 VanDerWaalsContact CD2-CD 3.47Å; L579-E600 HydrophobicContact CD2-CG 3.89Å
580	T	96.5	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.			trans	-68.9	158.4	160.2	72.2	0	0	0	0	109.7	P582 Q583 L584 V637 K641 D703 A704 I831	T580-P582 WeakPolarHBondContact OG1-CD 3.11Å; T580-Q583 PolarHBondContact O-N 3.31Å; T580-Q583 WeakPolarHBondContact OG1-CB 3.4Å; T580-Q583 WeakPolarHBondContact OG1-CG 3Å; T580-Q583 PolarHBondContact OG1-N 3.38Å; T580-Q583 VanDerWaalsContact OG1-N 3.14Å; T580-L584 PolarHBondContact O-N 2.86Å; T580-V637 HydrophobicContact CG2-CG1 4.17Å; T580-K641 HydrophobicContact CG2-CB 4.09Å; T580-K641 HydrophobicContact CG2-CG 3.71Å; T580-D703 WeakPolarHBondContact CB-O 3.32Å; T580-A704 HydrophobicContact CG2-CB 3.89Å; T580-I831 HydrophobicContact CG2-CD1 4.1Å
581	T	96.8	Very high	93.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-53.4	-51.5	171.5	-86.3	0	0	0	0	111.4	K477 Q583 L584 H585 D703 D705	K477-T581 WeakPolarHBondContact CE-OG1 3.39Å; K477-T581 PolarHBondContact NZ-OG1 3.35Å; T581-Q583 VanDerWaalsContact C-N 3.31Å; T581-Q583 PolarHBondContact O-N 2.78Å; T581-L584 PolarHBondContact O-N 2.86Å; T581-H585 PolarHBondContact O-CD2 2.83Å; T581-H585 VanDerWaalsContact O-CD2 3.29Å; T581-H585 PolarHBondContact O-N 3.22Å; T581-D703 VanDerWaalsContact CB-OD2 3.27Å; T581-D703 WeakPolarHBondContact CB-OD2 3.31Å; T581-D703 PolarHBondContact N-O 2.86Å; T581-D703 PolarHBondContact OG1-OD2 3.22Å; T581-D705 HydrophobicContact CG2-CB 3.98Å
582	P	96	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.8	-30.9	-174.8	-24.1	36.4	0	0	0	113.7	T580 H585 Y586 A704 D705 N824 I827 G828 D829	T580-P582 WeakPolarHBondContact OG1-CD 3.11Å; P582-H585 PolarHBondContact O-N 2.82Å; P582-Y586 VanDerWaalsContact O-CB 3.3Å; P582-Y586 WeakPolarHBondContact O-CB 3.39Å; P582-Y586 PolarHBondContact O-N 3.47Å; P582-A704 WeakPolarHBondContact CG-O 2.88Å; P582-D705 HydrophobicContact CG-CB 4.06Å; P582-N824 PolarHBondContact O-ND2 3.46Å; P582-I827 HydrophobicContact CB-CG2 4.09Å; P582-G828 WeakPolarHBondContact CG-O 3.38Å; P582-D829 HydrophobicContact CB-CB 3.57Å; P582-D829 WeakPolarHBondContact CB-OD2 3.2Å; P582-D829 HydrophobicContact CG-CB 4.07Å
583	Q	95.4	Very high	94.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-47	174	-82.3	178.7	-37.7	0	0	111.5	L579 T580 T581 Y586 I587 E600 Y603	L579-Q583 HydrophobicContact CB-CB 4.12Å; L579-Q583 HydrophobicContact CD1-CB 4.4Å; L579-Q583 HydrophobicContact CD2-CB 4.32Å; T580-Q583 PolarHBondContact O-N 3.31Å; T580-Q583 WeakPolarHBondContact OG1-CB 3.4Å; T580-Q583 WeakPolarHBondContact OG1-CG 3Å; T580-Q583 PolarHBondContact OG1-N 3.38Å; T580-Q583 VanDerWaalsContact OG1-N 3.14Å; T581-Q583 VanDerWaalsContact C-N 3.31Å; T581-Q583 PolarHBondContact O-N 2.78Å; Q583-Y586 PolarHBondContact O-N 3Å; Q583-I587 WeakPolarHBondContact O-CB 3.2Å; Q583-I587 VanDerWaalsContact O-CG1 3.27Å; Q583-I587 WeakPolarHBondContact O-CG1 3.38Å; Q583-I587 PolarHBondContact O-N 2.86Å; Q583-E600 PolarHBondContact NE2-OE1 3.3Å; Q583-E600 VanDerWaalsContact NE2-OE1 3.16Å; Q583-Y603 HydrophobicContact CG-CD1 3.81Å; Q583-Y603 HydrophobicContact CG-CE1 3.55Å; Q583-Y603 HydrophobicContact CG-CE2 4.32Å; Q583-Y603 HydrophobicContact CG-CG 4.31Å
584	L	96.6	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-45.4	179.4	-175.6	64	0	0	0	111.3	I462 M463 I479 C546 A548 Y576 L579 T580 T581 Y586 I587 I588	I462-L584 WeakPolarHBondContact O-CD2 3.46Å; M463-L584 HydrophobicContact CB-CD2 3.92Å; M463-L584 HydrophobicContact SD-CB 4.46Å; M463-L584 HydrophobicContact SD-CD2 4.14Å; I479-L584 HydrophobicContact CD1-CB 4.23Å; I479-L584 HydrophobicContact CD1-CD2 3.66Å; I479-L584 HydrophobicContact CD1-CG 3.74Å; C546-L584 HydrophobicContact CB-CD1 4.32Å; A548-L584 HydrophobicContact CB-CB 4.47Å; A548-L584 HydrophobicContact CB-CD1 4.28Å; A548-L584 HydrophobicContact CB-CD2 4Å; A548-L584 HydrophobicContact CB-CG 4.48Å; Y576-L584 HydrophobicContact CD2-CD1 4.29Å; L579-L584 HydrophobicContact CD1-CB 4.29Å; L579-L584 HydrophobicContact CD1-CD1 4.34Å; T580-L584 PolarHBondContact O-N 2.86Å; T581-L584 PolarHBondContact O-N 2.86Å; L584-Y586 VanDerWaalsContact C-N 3.28Å; L584-Y586 PolarHBondContact O-N 2.82Å; L584-I587 PolarHBondContact O-N 3.49Å; L584-I588 HydrophobicContact CD1-CG1 4.3Å; L584-I588 HydrophobicContact CG-CG1 4.38Å; L584-I588 VanDerWaalsContact O-CG1 3.31Å; L584-I588 WeakPolarHBondContact O-CG1 3.04Å; L584-I588 PolarHBondContact O-N 3.41Å
585	H	96.4	Very high	93.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.4	-44.3	176.2	-83.5	-101.8	0	0	0	112	I479 G483 T581 P582 R589 A826 I827	I479-H585 WeakPolarHBondContact CD1-CD2 3.26Å; G483-H585 PolarHBondContact O-ND1 3.27Å; T581-H585 PolarHBondContact O-CD2 2.83Å; T581-H585 VanDerWaalsContact O-CD2 3.29Å; T581-H585 PolarHBondContact O-N 3.22Å; P582-H585 PolarHBondContact O-N 2.82Å; H585-R589 PolarHBondContact O-N 2.88Å; H585-A826 HydrophobicContact CB-CB 4.27Å; H585-I827 HydrophobicContact CB-CB 4.32Å; H585-I827 HydrophobicContact CB-CG2 3.52Å; H585-I827 VanDerWaalsContact CE1-CD1 3.47Å; H585-I827 WeakPolarHBondContact CE1-CD1 3.3Å
586	Y	94.2	Very high	93.7	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-48	176.9	179.3	-84.2	0	0	0	112.3	P582 Q583 L584 I588 R589 E590 W598 Y603 R606	P582-Y586 VanDerWaalsContact O-CB 3.3Å; P582-Y586 WeakPolarHBondContact O-CB 3.39Å; P582-Y586 PolarHBondContact O-N 3.47Å; Q583-Y586 PolarHBondContact O-N 3Å; L584-Y586 VanDerWaalsContact C-N 3.28Å; L584-Y586 PolarHBondContact O-N 2.82Å; Y586-I588 VanDerWaalsContact C-N 3.31Å; Y586-I588 PolarHBondContact O-N 3.26Å; Y586-R589 PolarHBondContact O-N 2.78Å; Y586-E590 HydrophobicContact CD1-CG 4.07Å; Y586-E590 HydrophobicContact CD2-CG 4.45Å; Y586-E590 HydrophobicContact CE1-CB 4.48Å; Y586-E590 HydrophobicContact CE1-CG 3.6Å; Y586-E590 HydrophobicContact CE2-CG 4.01Å; Y586-E590 HydrophobicContact CG-CG 4.47Å; Y586-E590 WeakPolarHBondContact O-CG 3.22Å; Y586-E590 PolarHBondContact O-N 3.03Å; Y586-W598 AromaticContact CE1-CE3 3.83Å; Y586-W598 HydrophobicContact CE1-CE3 3.83Å; Y586-W598 AromaticContact CE1-CZ3 3.78Å; Y586-W598 HydrophobicContact CE1-CZ3 3.78Å; Y586-Y603 AromaticContact CD1-CD2 3.53Å; Y586-Y603 HydrophobicContact CD1-CD2 3.53Å; Y586-Y603 HydrophobicContact CD1-CE2 4.43Å; Y586-Y603 HydrophobicContact CD1-CG 4.33Å; Y586-Y603 HydrophobicContact CD2-CD2 4.28Å; Y586-Y603 AromaticContact CE1-CD2 3.93Å; Y586-Y603 HydrophobicContact CE1-CD2 3.93Å; Y586-Y603 AromaticContact CG-CD2 3.72Å; Y586-Y603 HydrophobicContact CG-CD2 3.72Å; Y586-Y603 HydrophobicContact CG-CE2 4.19Å; Y586-R606 WeakPolarHBondContact OH-CD 3.07Å; Y586-R606 PolarHBondContact OH-NE 2.88Å; Y586-R606 PolarHBondContact OH-NH1 3.39Å
587	I	94.7	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-41.7	179.4	-72.7	167	0	0	0	110.9	Y576 L579 Q583 L584 T591 W598	Y576-I587 HydrophobicContact CD1-CD1 4.22Å; Y576-I587 HydrophobicContact CE1-CD1 4.14Å; Y576-I587 HydrophobicContact CE1-CG2 4.14Å; Y576-I587 HydrophobicContact CE2-CG2 4.08Å; L579-I587 HydrophobicContact CD1-CD1 3.79Å; Q583-I587 WeakPolarHBondContact O-CB 3.2Å; Q583-I587 VanDerWaalsContact O-CG1 3.27Å; Q583-I587 WeakPolarHBondContact O-CG1 3.38Å; Q583-I587 PolarHBondContact O-N 2.86Å; L584-I587 PolarHBondContact O-N 3.49Å; I587-T591 WeakPolarHBondContact O-CB 3.26Å; I587-T591 PolarHBondContact O-N 3.01Å; I587-T591 PolarHBondContact O-OG1 2.79Å; I587-W598 HydrophobicContact CG2-CB 4.05Å
588	I	96.4	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-49.9	176.4	-68.1	-56.4	0	0	0	110.9	T459 I479 D480 C546 L584 Y586 E590 T591 N592	T459-I588 HydrophobicContact CG2-CD1 3.89Å; I479-I588 HydrophobicContact CG2-CB 4.21Å; I479-I588 HydrophobicContact CG2-CG1 4.34Å; I479-I588 HydrophobicContact CG2-CG2 4.05Å; D480-I588 WeakPolarHBondContact O-CG2 3.48Å; C546-I588 HydrophobicContact CB-CD1 3.62Å; L584-I588 HydrophobicContact CD1-CG1 4.3Å; L584-I588 HydrophobicContact CG-CG1 4.38Å; L584-I588 VanDerWaalsContact O-CG1 3.31Å; L584-I588 WeakPolarHBondContact O-CG1 3.04Å; L584-I588 PolarHBondContact O-N 3.41Å; Y586-I588 VanDerWaalsContact C-N 3.31Å; Y586-I588 PolarHBondContact O-N 3.26Å; I588-E590 PolarHBondContact O-N 3.22Å; I588-T591 PolarHBondContact O-N 3.4Å; I588-N592 PolarHBondContact O-N 3.48Å; I588-N592 VanDerWaalsContact O-N 3.13Å; I588-N592 PolarHBondContact O-ND2 3.37Å
589	R	94.4	Very high	93.5	Very high	58 Å²	58	40.1 Å²	40.1	22%	0.219	18%	0.182	C	C	.	.	H	α-helix	trans	-55.8	-55	178.2	179.2	172.6	-179.6	-98	7.5	111.7	S482 H585 Y586 T591 N592 L593 A826	S482-R589 WeakPolarHBondContact O-CB 3.48Å; S482-R589 WeakPolarHBondContact O-CD 3.38Å; S482-R589 VanDerWaalsContact O-CG 3.27Å; S482-R589 WeakPolarHBondContact O-CG 3.33Å; H585-R589 PolarHBondContact O-N 2.88Å; Y586-R589 PolarHBondContact O-N 2.78Å; R589-T591 VanDerWaalsContact C-N 3.31Å; R589-T591 PolarHBondContact O-N 3.13Å; R589-N592 PolarHBondContact O-N 3.27Å; R589-L593 HydrophobicContact CG-CD1 3.68Å; R589-L593 HydrophobicContact CG-CG 4.26Å; R589-L593 WeakPolarHBondContact O-CB 3.47Å; R589-L593 VanDerWaalsContact O-CG 3.31Å; R589-L593 WeakPolarHBondContact O-CG 3.3Å; R589-L593 PolarHBondContact O-N 3.37Å; R589-A826 HydrophobicContact CB-CB 4.37Å
590	E	92.9	Very high	93.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-69.3	-31.1	-175.8	-60.6	-60.4	125.3	0	0	112	Y586 I588 N592 L593 E594 W598 R606 K821	Y586-E590 HydrophobicContact CD1-CG 4.07Å; Y586-E590 HydrophobicContact CD2-CG 4.45Å; Y586-E590 HydrophobicContact CE1-CB 4.48Å; Y586-E590 HydrophobicContact CE1-CG 3.6Å; Y586-E590 HydrophobicContact CE2-CG 4.01Å; Y586-E590 HydrophobicContact CG-CG 4.47Å; Y586-E590 WeakPolarHBondContact O-CG 3.22Å; Y586-E590 PolarHBondContact O-N 3.03Å; I588-E590 PolarHBondContact O-N 3.22Å; E590-N592 VanDerWaalsContact C-N 3.32Å; E590-N592 PolarHBondContact O-N 3.1Å; E590-L593 PolarHBondContact O-N 2.68Å; E590-E594 WeakPolarHBondContact O-CB 3.46Å; E590-E594 PolarHBondContact O-N 3.43Å; E590-W598 HydrophobicContact CB-CD2 3.64Å; E590-W598 HydrophobicContact CB-CE3 4.33Å; E590-W598 HydrophobicContact CB-CG 3.8Å; E590-W598 HydrophobicContact CB-CZ2 4.2Å; E590-W598 HydrophobicContact CG-CD2 4.36Å; E590-R606 VanDerWaalsContact CD-NH1 3.35Å; E590-R606 IonicContact OE2-CZ 3.83Å; E590-R606 IonicContact OE2-NH1 2.99Å; E590-R606 PolarHBondContact OE2-NH1 2.93Å; E590-R606 IonicContact OE2-NH2 2.64Å; E590-K821 IonicContact OE2-NZ 2.99Å
591	T	93.4	Very high	92.9	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-42.7	174.3	-66	0	0	0	0	111.7	I587 I588 R589 N595 R596 W598	I587-T591 WeakPolarHBondContact O-CB 3.26Å; I587-T591 PolarHBondContact O-N 3.01Å; I587-T591 PolarHBondContact O-OG1 2.79Å; I588-T591 PolarHBondContact O-N 3.4Å; R589-T591 VanDerWaalsContact C-N 3.31Å; R589-T591 PolarHBondContact O-N 3.13Å; T591-N595 VanDerWaalsContact O-CA 3.24Å; T591-N595 WeakPolarHBondContact O-CA 3.46Å; T591-N595 PolarHBondContact O-N 3.22Å; T591-R596 WeakPolarHBondContact CA-O 3.33Å; T591-R596 WeakPolarHBondContact CG2-O 3.23Å; T591-R596 PolarHBondContact O-N 3.14Å; T591-R596 VanDerWaalsContact O-N 3.15Å; T591-W598 PolarHBondContact OG1-N 2.81Å
592	N	94.9	Very high	92.5	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-77.7	-37.4	179	-72	-64	0	0	0	112.8	G458 T459 P481 I588 R589 E590	G458-N592 VanDerWaalsContact CA-OD1 3.26Å; G458-N592 WeakPolarHBondContact CA-OD1 3.45Å; T459-N592 PolarHBondContact N-OD1 3.21Å; T459-N592 PolarHBondContact O-ND2 2.87Å; P481-N592 VanDerWaalsContact CA-ND2 3.33Å; P481-N592 WeakPolarHBondContact CA-ND2 3.12Å; P481-N592 HydrophobicContact CB-CB 4.36Å; P481-N592 WeakPolarHBondContact O-CB 3.43Å; P481-N592 PolarHBondContact O-ND2 3.11Å; I588-N592 PolarHBondContact O-N 3.48Å; I588-N592 VanDerWaalsContact O-N 3.13Å; I588-N592 PolarHBondContact O-ND2 3.37Å; R589-N592 PolarHBondContact O-N 3.27Å; E590-N592 VanDerWaalsContact C-N 3.32Å; E590-N592 PolarHBondContact O-N 3.1Å
593	L	90.4	Very high	92.2	Very high	113 Å²	113	51 Å²	51	59%	0.592	24%	0.237	S	C	*	.	H	α-helix	trans	-67.1	-41	177.3	-72.4	177.1	0	0	0	112.8	R589 E590	R589-L593 HydrophobicContact CG-CD1 3.68Å; R589-L593 HydrophobicContact CG-CG 4.26Å; R589-L593 WeakPolarHBondContact O-CB 3.47Å; R589-L593 VanDerWaalsContact O-CG 3.31Å; R589-L593 WeakPolarHBondContact O-CG 3.3Å; R589-L593 PolarHBondContact O-N 3.37Å; E590-L593 PolarHBondContact O-N 2.68Å
594	E	89.2	Confident	91.8	Very high	72 Å²	72	51.6 Å²	51.6	34%	0.336	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.2	-178.4	-62	-174.8	-176	0	0	112.8	E590 R596 W598 R606	E590-E594 WeakPolarHBondContact O-CB 3.46Å; E590-E594 PolarHBondContact O-N 3.43Å; E594-R596 HydrophobicContact CB-CG 3.95Å; E594-R596 PolarHBondContact O-N 3.21Å; E594-R596 IonicContact OE2-CZ 2.78Å; E594-R596 VanDerWaalsContact OE2-CZ 3.23Å; E594-R596 IonicContact OE2-NE 3.65Å; E594-R596 PolarHBondContact OE2-NE 3.1Å; E594-R596 IonicContact OE2-NH2 3.89Å; E594-R596 PolarHBondContact OE2-NH2 3.43Å; E594-W598 WeakPolarHBondContact OE1-CZ2 3.32Å; E594-W598 WeakPolarHBondContact OE2-CZ2 3.47Å; E594-W598 PolarHBondContact OE2-NE1 3.49Å; E594-R606 IonicContact OE1-NH2 3.34Å; E594-R606 PolarHBondContact OE1-NH2 2.82Å
595	N	88.7	Confident	91.3	Very high	154 Å²	154	53.5 Å²	53.5	82%	0.824	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	39.9	-175.8	-163.6	29	0	0	0	113.1	T591	T591-N595 VanDerWaalsContact O-CA 3.24Å; T591-N595 WeakPolarHBondContact O-CA 3.46Å; T591-N595 PolarHBondContact O-N 3.22Å
596	R	91.7	Very high	90.8	Very high	94 Å²	94	56 Å²	56	36%	0.355	27%	0.269	S	S	.	.	S	Bend	trans	-148.3	149.3	179.7	74.9	175.6	-175.4	90.9	-5.3	110.7	T591 E594 W598 E602	T591-R596 WeakPolarHBondContact CA-O 3.33Å; T591-R596 WeakPolarHBondContact CG2-O 3.23Å; T591-R596 PolarHBondContact O-N 3.14Å; T591-R596 VanDerWaalsContact O-N 3.15Å; E594-R596 HydrophobicContact CB-CG 3.95Å; E594-R596 PolarHBondContact O-N 3.21Å; E594-R596 IonicContact OE2-CZ 2.78Å; E594-R596 VanDerWaalsContact OE2-CZ 3.23Å; E594-R596 IonicContact OE2-NE 3.65Å; E594-R596 PolarHBondContact OE2-NE 3.1Å; E594-R596 IonicContact OE2-NH2 3.89Å; E594-R596 PolarHBondContact OE2-NH2 3.43Å; R596-W598 PolarHBondContact O-N 3.42Å; R596-E602 IonicContact CZ-OE1 2.76Å; R596-E602 IonicContact NH1-OE1 3.63Å; R596-E602 PolarHBondContact NH1-OE1 3.36Å; R596-E602 IonicContact NH1-OE2 3.3Å; R596-E602 PolarHBondContact NH1-OE2 2.81Å; R596-E602 IonicContact NH2-OE1 3.49Å; R596-E602 PolarHBondContact NH2-OE1 2.81Å
597	R	89.2	Confident	90.5	Very high	142 Å²	142	55.7 Å²	55.7	54%	0.536	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65.5	125.7	175.7	-175.7	178.8	177.4	-175.5	-1.4	111.3	Y576	Y576-R597 WeakPolarHBondContact OH-CG 3.39Å; Y576-R597 PolarHBondContact OH-NE 3.43Å
598	W	90.4	Very high	90.1	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.019	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-89.2	140.5	171.3	-91.9	66.5	0	0	0	112.3	Y576 Y586 I587 E590 T591 E594 R596 E602	Y576-W598 WeakPolarHBondContact CE1-O 3.43Å; Y576-W598 PolarHBondContact OH-O 3.41Å; Y586-W598 AromaticContact CE1-CE3 3.83Å; Y586-W598 HydrophobicContact CE1-CE3 3.83Å; Y586-W598 AromaticContact CE1-CZ3 3.78Å; Y586-W598 HydrophobicContact CE1-CZ3 3.78Å; I587-W598 HydrophobicContact CG2-CB 4.05Å; E590-W598 HydrophobicContact CB-CD2 3.64Å; E590-W598 HydrophobicContact CB-CE3 4.33Å; E590-W598 HydrophobicContact CB-CG 3.8Å; E590-W598 HydrophobicContact CB-CZ2 4.2Å; E590-W598 HydrophobicContact CG-CD2 4.36Å; T591-W598 PolarHBondContact OG1-N 2.81Å; E594-W598 WeakPolarHBondContact OE1-CZ2 3.32Å; E594-W598 WeakPolarHBondContact OE2-CZ2 3.47Å; E594-W598 PolarHBondContact OE2-NE1 3.49Å; R596-W598 PolarHBondContact O-N 3.42Å; W598-E602 HydrophobicContact CD2-CB 4.49Å; W598-E602 HydrophobicContact CE3-CB 3.6Å; W598-E602 HydrophobicContact CH2-CB 4.18Å; W598-E602 HydrophobicContact CZ3-CB 3.44Å; W598-E602 VanDerWaalsContact CZ3-CB 3.44Å
599	K	90	Very high	89.5	Confident	136 Å²	136	60.3 Å²	60.3	59%	0.591	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-99.6	160.7	173	-63.1	-178.6	-179.2	-178.9	0	111.7	D601 E602	K599-D601 PolarHBondContact O-N 2.96Å; K599-E602 HydrophobicContact CB-CG 4.29Å; K599-E602 PolarHBondContact N-OE2 2.84Å; K599-E602 WeakPolarHBondContact O-CB 3.14Å; K599-E602 PolarHBondContact O-N 2.86Å
600	E	91	Very high	88.9	Confident	43 Å²	43	57.7 Å²	57.7	20%	0.201	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-44.9	176.3	-175.1	178.8	-176.8	0	0	112.3	L579 Q583 E602 Y603 F604 K641	L579-E600 HydrophobicContact CD2-CB 4.33Å; L579-E600 VanDerWaalsContact CD2-CD 3.47Å; L579-E600 HydrophobicContact CD2-CG 3.89Å; Q583-E600 PolarHBondContact NE2-OE1 3.3Å; Q583-E600 VanDerWaalsContact NE2-OE1 3.16Å; E600-E602 PolarHBondContact O-N 2.81Å; E600-E602 VanDerWaalsContact O-N 3.11Å; E600-Y603 WeakPolarHBondContact O-CB 3.23Å; E600-Y603 PolarHBondContact O-N 2.66Å; E600-F604 HydrophobicContact CG-CD2 4.06Å; E600-F604 HydrophobicContact CG-CE2 3.61Å; E600-F604 HydrophobicContact CG-CZ 4.48Å; E600-F604 PolarHBondContact O-N 2.88Å; E600-F604 WeakPolarHBondContact OE1-CE2 3.5Å; E600-K641 VanDerWaalsContact CD-NZ 3.3Å; E600-K641 VanDerWaalsContact OE1-CD 3.27Å; E600-K641 WeakPolarHBondContact OE1-CD 3.47Å; E600-K641 VanDerWaalsContact OE1-CE 3.29Å; E600-K641 WeakPolarHBondContact OE1-CE 3.22Å; E600-K641 IonicContact OE1-NZ 3.65Å; E600-K641 PolarHBondContact OE1-NZ 3.06Å; E600-K641 IonicContact OE2-NZ 3.35Å; E600-K641 PolarHBondContact OE2-NZ 2.98Å
601	D	88.2	Confident	88.5	Confident	124 Å²	124	57.8 Å²	57.8	66%	0.663	28%	0.283	S	S	*	.	H	α-helix	trans	-59.3	-27.9	-179.8	-59.3	-27.6	0	0	0	112.8	K599 F604 G605	K599-D601 PolarHBondContact O-N 2.96Å; D601-F604 PolarHBondContact O-N 2.85Å; D601-G605 PolarHBondContact O-N 3.41Å
602	E	88.8	Confident	87.9	Confident	56 Å²	56	62.4 Å²	62.4	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-73.4	-32.3	177.4	-60.3	179.8	82.5	0	0	112.3	R596 W598 K599 E600 R606	R596-E602 IonicContact CZ-OE1 2.76Å; R596-E602 IonicContact NH1-OE1 3.63Å; R596-E602 PolarHBondContact NH1-OE1 3.36Å; R596-E602 IonicContact NH1-OE2 3.3Å; R596-E602 PolarHBondContact NH1-OE2 2.81Å; R596-E602 IonicContact NH2-OE1 3.49Å; R596-E602 PolarHBondContact NH2-OE1 2.81Å; W598-E602 HydrophobicContact CD2-CB 4.49Å; W598-E602 HydrophobicContact CE3-CB 3.6Å; W598-E602 HydrophobicContact CH2-CB 4.18Å; W598-E602 HydrophobicContact CZ3-CB 3.44Å; W598-E602 VanDerWaalsContact CZ3-CB 3.44Å; K599-E602 HydrophobicContact CB-CG 4.29Å; K599-E602 PolarHBondContact N-OE2 2.84Å; K599-E602 WeakPolarHBondContact O-CB 3.14Å; K599-E602 PolarHBondContact O-N 2.86Å; E600-E602 PolarHBondContact O-N 2.81Å; E600-E602 VanDerWaalsContact O-N 3.11Å; E602-R606 WeakPolarHBondContact O-CB 3.16Å; E602-R606 PolarHBondContact O-N 2.79Å
603	Y	88.8	Confident	87.1	Confident	4 Å²	4	65 Å²	65	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-50.8	171.1	163.6	-91.9	0	0	0	110	Q583 Y586 E600 R606 L607 D829	Q583-Y603 HydrophobicContact CG-CD1 3.81Å; Q583-Y603 HydrophobicContact CG-CE1 3.55Å; Q583-Y603 HydrophobicContact CG-CE2 4.32Å; Q583-Y603 HydrophobicContact CG-CG 4.31Å; Y586-Y603 AromaticContact CD1-CD2 3.53Å; Y586-Y603 HydrophobicContact CD1-CD2 3.53Å; Y586-Y603 HydrophobicContact CD1-CE2 4.43Å; Y586-Y603 HydrophobicContact CD1-CG 4.33Å; Y586-Y603 HydrophobicContact CD2-CD2 4.28Å; Y586-Y603 AromaticContact CE1-CD2 3.93Å; Y586-Y603 HydrophobicContact CE1-CD2 3.93Å; Y586-Y603 AromaticContact CG-CD2 3.72Å; Y586-Y603 HydrophobicContact CG-CD2 3.72Å; Y586-Y603 HydrophobicContact CG-CE2 4.19Å; E600-Y603 WeakPolarHBondContact O-CB 3.23Å; E600-Y603 PolarHBondContact O-N 2.66Å; Y603-R606 PolarHBondContact O-N 3.41Å; Y603-L607 HydrophobicContact CE1-CD2 4.36Å; Y603-L607 WeakPolarHBondContact O-CB 3.29Å; Y603-L607 PolarHBondContact O-N 2.88Å; Y603-D829 PolarHBondContact OH-OD1 3.17Å; Y603-D829 PolarHBondContact OH-OD2 3.26Å
604	F	88.5	Confident	86.5	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-47.4	177.9	-68.7	-58	0	0	0	112.1	E600 D601 R606 L607 L608 K641 I645	E600-F604 HydrophobicContact CG-CD2 4.06Å; E600-F604 HydrophobicContact CG-CE2 3.61Å; E600-F604 HydrophobicContact CG-CZ 4.48Å; E600-F604 PolarHBondContact O-N 2.88Å; E600-F604 WeakPolarHBondContact OE1-CE2 3.5Å; D601-F604 PolarHBondContact O-N 2.85Å; F604-R606 VanDerWaalsContact C-N 3.28Å; F604-R606 PolarHBondContact O-N 3.04Å; F604-L607 PolarHBondContact O-N 2.84Å; F604-L607 VanDerWaalsContact O-N 3.14Å; F604-L608 WeakPolarHBondContact O-CB 3.1Å; F604-L608 WeakPolarHBondContact O-CG 3.28Å; F604-L608 PolarHBondContact O-N 3.01Å; F604-K641 HydrophobicContact CE1-CB 4.35Å; F604-K641 HydrophobicContact CZ-CB 4.02Å; F604-K641 HydrophobicContact CZ-CD 4.16Å; F604-I645 HydrophobicContact CD1-CD1 3.81Å; F604-I645 HydrophobicContact CD1-CG1 3.65Å; F604-I645 HydrophobicContact CE1-CD1 3.77Å; F604-I645 HydrophobicContact CE1-CG1 3.84Å
605	G	85.7	Confident	86	Confident	40 Å²	40	58 Å²	58	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-39.7	179.1	0	0	0	0	0	112.5	D601 L609	D601-G605 PolarHBondContact O-N 3.41Å; G605-L609 WeakPolarHBondContact O-CB 3.27Å; G605-L609 PolarHBondContact O-N 2.92Å; G605-L609 VanDerWaalsContact O-N 3.11Å
606	R	85.8	Confident	85	Confident	54 Å²	54	53.9 Å²	53.9	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-40.5	176.3	-165.9	177.8	-69.2	176.6	-15.8	112	Y586 E590 E594 E602 Y603 F604 A610	Y586-R606 WeakPolarHBondContact OH-CD 3.07Å; Y586-R606 PolarHBondContact OH-NE 2.88Å; Y586-R606 PolarHBondContact OH-NH1 3.39Å; E590-R606 VanDerWaalsContact CD-NH1 3.35Å; E590-R606 IonicContact OE2-CZ 3.83Å; E590-R606 IonicContact OE2-NH1 2.99Å; E590-R606 PolarHBondContact OE2-NH1 2.93Å; E590-R606 IonicContact OE2-NH2 2.64Å; E594-R606 IonicContact OE1-NH2 3.34Å; E594-R606 PolarHBondContact OE1-NH2 2.82Å; E602-R606 WeakPolarHBondContact O-CB 3.16Å; E602-R606 PolarHBondContact O-N 2.79Å; Y603-R606 PolarHBondContact O-N 3.41Å; F604-R606 VanDerWaalsContact C-N 3.28Å; F604-R606 PolarHBondContact O-N 3.04Å; R606-A610 WeakPolarHBondContact O-CB 3.2Å; R606-A610 PolarHBondContact O-N 2.85Å
607	L	87.2	Confident	83.6	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-65.7	-46.7	178.9	-178	61.5	0	0	0	112.3	Y603 F604 A610 Y611 I645 M822 I831 C832 L835	Y603-L607 HydrophobicContact CE1-CD2 4.36Å; Y603-L607 WeakPolarHBondContact O-CB 3.29Å; Y603-L607 PolarHBondContact O-N 2.88Å; F604-L607 PolarHBondContact O-N 2.84Å; F604-L607 VanDerWaalsContact O-N 3.14Å; L607-A610 WeakPolarHBondContact O-CB 3.37Å; L607-A610 PolarHBondContact O-N 2.79Å; L607-Y611 PolarHBondContact O-N 2.84Å; L607-I645 HydrophobicContact CD2-CD1 3.74Å; L607-M822 HydrophobicContact CD1-CG 3.76Å; L607-I831 HydrophobicContact CD2-CG2 3.95Å; L607-C832 HydrophobicContact CD1-CB 4.48Å; L607-C832 VanDerWaalsContact CD1-SG 3.58Å; L607-L835 HydrophobicContact CD1-CD1 3.85Å; L607-L835 HydrophobicContact CD2-CD1 3.8Å; L607-L835 HydrophobicContact CG-CD1 3.68Å
608	L	86.9	Confident	81.9	Confident	23 Å²	23	54 Å²	54	12%	0.12	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-47.4	179.6	-69.9	169.6	0	0	0	111.4	F604 A610 Y611 E612 I645 E648 V649	F604-L608 WeakPolarHBondContact O-CB 3.1Å; F604-L608 WeakPolarHBondContact O-CG 3.28Å; F604-L608 PolarHBondContact O-N 3.01Å; L608-A610 PolarHBondContact O-N 3.37Å; L608-Y611 PolarHBondContact O-N 3.4Å; L608-Y611 VanDerWaalsContact O-N 3.14Å; L608-E612 WeakPolarHBondContact O-CB 3.34Å; L608-E612 WeakPolarHBondContact O-CG 3.31Å; L608-E612 PolarHBondContact O-N 3.49Å; L608-I645 HydrophobicContact CD2-CG2 3.99Å; L608-E648 HydrophobicContact CD1-CB 3.72Å; L608-E648 HydrophobicContact CD1-CG 3.7Å; L608-E648 HydrophobicContact CD2-CB 3.84Å; L608-E648 HydrophobicContact CG-CB 4.43Å; L608-V649 HydrophobicContact CD2-CG1 3.41Å; L608-V649 VanDerWaalsContact CD2-CG1 3.41Å
609	L	83.4	Confident	79.9	Confident	74 Å²	74	57.8 Å²	57.8	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-58.2	-35.6	174.9	-178.5	65.4	0	0	0	111.8	G605 R613	G605-L609 WeakPolarHBondContact O-CB 3.27Å; G605-L609 PolarHBondContact O-N 2.92Å; G605-L609 VanDerWaalsContact O-N 3.11Å; L609-R613 WeakPolarHBondContact O-CB 3.33Å; L609-R613 WeakPolarHBondContact O-CG 3.26Å; L609-R613 PolarHBondContact O-N 3.25Å
610	A	82.1	Confident	78.1	Confident	3 Å²	3	54.9 Å²	54.9	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-49.5	176	0	0	0	0	0	112	R606 L607 L608 R613 L614 S820 M822	R606-A610 WeakPolarHBondContact O-CB 3.2Å; R606-A610 PolarHBondContact O-N 2.85Å; L607-A610 WeakPolarHBondContact O-CB 3.37Å; L607-A610 PolarHBondContact O-N 2.79Å; L608-A610 PolarHBondContact O-N 3.37Å; A610-R613 PolarHBondContact O-N 3.48Å; A610-L614 WeakPolarHBondContact O-CG 3.34Å; A610-L614 PolarHBondContact O-N 2.81Å; A610-S820 WeakPolarHBondContact CB-OG 3.47Å; A610-M822 HydrophobicContact CB-CB 3.68Å; A610-M822 HydrophobicContact CB-CG 3.98Å
611	Y	84.5	Confident	76.1	Confident	3 Å²	3	60 Å²	60	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-47.3	178.3	-177.4	-98.1	0	0	0	112.2	L607 L608 R613 L614 N615 V649 C652 L653 M822 L835 T839	L607-Y611 PolarHBondContact O-N 2.84Å; L608-Y611 PolarHBondContact O-N 3.4Å; L608-Y611 VanDerWaalsContact O-N 3.14Å; Y611-R613 PolarHBondContact O-N 2.8Å; Y611-L614 PolarHBondContact O-N 2.86Å; Y611-N615 WeakPolarHBondContact CD2-ND2 3.47Å; Y611-N615 VanDerWaalsContact CE2-ND2 3.31Å; Y611-N615 WeakPolarHBondContact CE2-ND2 3.45Å; Y611-N615 WeakPolarHBondContact O-CB 3.41Å; Y611-N615 PolarHBondContact O-N 3.36Å; Y611-N615 VanDerWaalsContact O-N 3.1Å; Y611-N615 PolarHBondContact O-ND2 2.87Å; Y611-V649 HydrophobicContact CD1-CB 4.39Å; Y611-V649 HydrophobicContact CD1-CG1 3.84Å; Y611-V649 HydrophobicContact CE1-CB 4.18Å; Y611-V649 HydrophobicContact CE1-CG1 4.13Å; Y611-C652 HydrophobicContact CE1-CB 4.27Å; Y611-L653 WeakPolarHBondContact OH-CB 3.27Å; Y611-M822 HydrophobicContact CD2-SD 4.16Å; Y611-L835 HydrophobicContact CD2-CB 3.91Å; Y611-L835 HydrophobicContact CD2-CD2 3.91Å; Y611-L835 HydrophobicContact CD2-CG 4.33Å; Y611-L835 HydrophobicContact CE2-CB 4.3Å; Y611-L835 HydrophobicContact CE2-CD2 3.94Å; Y611-L835 HydrophobicContact CG-CD2 4.4Å; Y611-T839 WeakPolarHBondContact CE2-OG1 3.28Å
612	E	80.9	Confident	74.4	Confident	109 Å²	109	60.8 Å²	60.8	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-57.2	-47.8	176.8	-75.3	178.9	169.8	0	0	111.4	L608 L614 N615 S616	L608-E612 WeakPolarHBondContact O-CB 3.34Å; L608-E612 WeakPolarHBondContact O-CG 3.31Å; L608-E612 PolarHBondContact O-N 3.49Å; E612-L614 PolarHBondContact O-N 3.3Å; E612-N615 CarbonylContact O-C 3.54Å; E612-N615 PolarHBondContact O-N 3.11Å; E612-S616 WeakPolarHBondContact O-CA 3.14Å; E612-S616 VanDerWaalsContact O-CB 3.27Å; E612-S616 WeakPolarHBondContact O-CB 3.44Å; E612-S616 PolarHBondContact O-N 3Å
613	R	77.3	Confident	72.8	Confident	97 Å²	97	66.1 Å²	66.1	37%	0.366	33%	0.326	S	S	.	.	H	α-helix	trans	-67.1	-36.3	-179.2	-68.3	174.9	179.4	-179.5	4.4	112.4	L609 A610 Y611 N615 S616 R818 R819	L609-R613 WeakPolarHBondContact O-CB 3.33Å; L609-R613 WeakPolarHBondContact O-CG 3.26Å; L609-R613 PolarHBondContact O-N 3.25Å; A610-R613 PolarHBondContact O-N 3.48Å; Y611-R613 PolarHBondContact O-N 2.8Å; R613-N615 PolarHBondContact O-N 2.99Å; R613-S616 PolarHBondContact O-OG 3.46Å; R613-R818 WeakPolarHBondContact CD-O 3.48Å; R613-R818 PolarHBondContact NH1-O 3.4Å; R613-R819 HydrophobicContact CB-CG 3.62Å; R613-R819 PolarHBondContact O-NE 2.8Å; R613-R819 PolarHBondContact O-NH1 3Å; R613-R819 VanDerWaalsContact O-NH1 3.08Å; R613-R819 PolarHBondContact O-NH2 2.67Å
614	L	78.3	Confident	71.7	Confident	31 Å²	31	73 Å²	73	16%	0.162	36%	0.356	C	S	.	.	H	α-helix	trans	-68.3	-26.2	177	-73.9	171.3	0	0	0	112.4	A610 Y611 E612 I816 R819 S820 M822 T839	A610-L614 WeakPolarHBondContact O-CG 3.34Å; A610-L614 PolarHBondContact O-N 2.81Å; Y611-L614 PolarHBondContact O-N 2.86Å; E612-L614 PolarHBondContact O-N 3.3Å; L614-I816 HydrophobicContact CD2-CG2 4.15Å; L614-R819 HydrophobicContact CD2-CB 3.88Å; L614-R819 HydrophobicContact CD2-CG 4.38Å; L614-R819 HydrophobicContact CG-CB 4.38Å; L614-S820 WeakPolarHBondContact CD1-OG 3.46Å; L614-S820 WeakPolarHBondContact CG-OG 3.33Å; L614-M822 HydrophobicContact CD1-CB 4.23Å; L614-M822 HydrophobicContact CD1-CE 3.65Å; L614-M822 HydrophobicContact CD1-SD 3.67Å; L614-T839 HydrophobicContact CB-CG2 4.04Å; L614-T839 HydrophobicContact CD1-CG2 4.45Å
615	N	78.3	Confident	71.2	Confident	8 Å²	8	74 Å²	74	4%	0.043	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	14.5	-172.9	-65.6	-73.4	0	0	0	114	Y611 E612 R613 D617 T839 R842	Y611-N615 WeakPolarHBondContact CD2-ND2 3.47Å; Y611-N615 VanDerWaalsContact CE2-ND2 3.31Å; Y611-N615 WeakPolarHBondContact CE2-ND2 3.45Å; Y611-N615 WeakPolarHBondContact O-CB 3.41Å; Y611-N615 PolarHBondContact O-N 3.36Å; Y611-N615 VanDerWaalsContact O-N 3.1Å; Y611-N615 PolarHBondContact O-ND2 2.87Å; E612-N615 CarbonylContact O-C 3.54Å; E612-N615 PolarHBondContact O-N 3.11Å; R613-N615 PolarHBondContact O-N 2.99Å; N615-D617 VanDerWaalsContact C-N 3.29Å; N615-D617 PolarHBondContact O-N 3.12Å; N615-T839 PolarHBondContact ND2-OG1 3.21Å; N615-T839 VanDerWaalsContact ND2-OG1 3.08Å; N615-R842 PolarHBondContact O-NH2 3.42Å
616	S	67.7	Low	71	Confident	67 Å²	67	74 Å²	74	47%	0.469	35%	0.35	S	S	.	.			trans	-76.1	-8.9	-173.1	60	0	0	0	0	115.1	E612 R613 E618 R819	E612-S616 WeakPolarHBondContact O-CA 3.14Å; E612-S616 VanDerWaalsContact O-CB 3.27Å; E612-S616 WeakPolarHBondContact O-CB 3.44Å; E612-S616 PolarHBondContact O-N 3Å; R613-S616 PolarHBondContact O-OG 3.46Å; S616-E618 PolarHBondContact O-N 2.93Å; S616-R819 PolarHBondContact OG-NH2 3.3Å
617	D	63.2	Low	71	Confident	86 Å²	86	72.8 Å²	72.8	46%	0.46	35%	0.35	S	S	.	.			trans	-74.5	99.9	-177.9	-159	-19.2	0	0	0	110.4	N615 S619	N615-D617 VanDerWaalsContact C-N 3.29Å; N615-D617 PolarHBondContact O-N 3.12Å; D617-S619 PolarHBondContact O-N 2.95Å; D617-S619 VanDerWaalsContact O-N 3.15Å; D617-S619 WeakPolarHBondContact OD1-CB 3.5Å; D617-S619 PolarHBondContact OD1-N 3.26Å; D617-S619 PolarHBondContact OD1-OG 3.39Å; D617-S619 PolarHBondContact OD2-OG 2.87Å
618	E	52.8	Low	71.2	Confident	151 Å²	151	77.4 Å²	77.4	71%	0.706	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.1	-9.9	-179.9	-67.1	-174.7	170.3	0	0	113.3	S616 H620 Y621	S616-E618 PolarHBondContact O-N 2.93Å; E618-H620 PolarHBondContact O-N 3.34Å; E618-Y621 HydrophobicContact CB-CE2 4.34Å; E618-Y621 WeakPolarHBondContact O-CD2 3.27Å
619	S	49.2	Very low	71.5	Confident	85 Å²	85	76.3 Å²	76.3	59%	0.594	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-67.6	-2.8	178.1	61	0	0	0	0	114.3	D617	D617-S619 PolarHBondContact O-N 2.95Å; D617-S619 VanDerWaalsContact O-N 3.15Å; D617-S619 WeakPolarHBondContact OD1-CB 3.5Å; D617-S619 PolarHBondContact OD1-N 3.26Å; D617-S619 PolarHBondContact OD1-OG 3.39Å; D617-S619 PolarHBondContact OD2-OG 2.87Å
620	H	51.1	Low	72	Confident	76 Å²	76	74.2 Å²	74.2	35%	0.352	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-109.9	30	-170.5	-70.1	79.6	0	0	0	115.1	E618 Y622 R845	E618-H620 PolarHBondContact O-N 3.34Å; H620-Y622 PolarHBondContact O-N 2.79Å; H620-R845 PolarHBondContact CD2-NH2 3Å; H620-R845 PolarHBondContact NE2-NH2 3.39Å; H620-R845 VanDerWaalsContact NE2-NH2 3.1Å
621	Y	50.2	Low	72.6	Confident	149 Å²	149	74 Å²	74	58%	0.584	35%	0.347	S	S	*	.			trans	-69.3	112.9	179.3	-92.8	-117.1	0	0	0	113.3	E618	E618-Y621 HydrophobicContact CB-CE2 4.34Å; E618-Y621 WeakPolarHBondContact O-CD2 3.27Å
622	Y	51.2	Low	73.2	Confident	142 Å²	142	73.9 Å²	73.9	56%	0.557	35%	0.347	S	S	*	.	S	Bend	trans	70.4	22.9	139.9	-65.2	-83.7	0	0	0	125.6	H620 P627	H620-Y622 PolarHBondContact O-N 2.79Å; Y622-P627 HydrophobicContact CE1-CG 4.44Å
623	H	55.3	Low	73.9	Confident	168 Å²	168	68.7 Å²	68.7	78%	0.778	32%	0.322	S	S	*	.	S	Bend	trans	-106.6	-18.5	174.9	-70.6	-50.5	0	0	0	118.3
624	F	66.8	Low	74.7	Confident	148 Å²	148	64.1 Å²	64.1	65%	0.649	31%	0.305	S	S	*	.	S	Bend	trans	-141.3	-2.5	-173.9	-69	-77.9	0	0	0	117.3	Q847	F624-Q847 PolarHBondContact O-NE2 3.04Å
625	Y	77	Confident	75.4	Confident	35 Å²	35	63.1 Å²	63.1	14%	0.137	30%	0.3	C	S	.	.			trans	-120.7	128.5	180	166.7	-100.6	0	0	0	109.5	P627 L653 R696 E838 L841 R842	Y625-P627 HydrophobicContact CE1-CB 4Å; Y625-L653 VanDerWaalsContact OH-CD1 3.29Å; Y625-L653 WeakPolarHBondContact OH-CD1 3.47Å; Y625-R696 PolarHBondContact OH-NH2 2.88Å; Y625-E838 PolarHBondContact OH-OE2 2.99Å; Y625-L841 HydrophobicContact CD2-CB 4.35Å; Y625-L841 HydrophobicContact CE2-CB 4.03Å; Y625-R842 HydrophobicContact CD1-CB 4.35Å; Y625-R842 HydrophobicContact CD1-CG 4.31Å; Y625-R842 HydrophobicContact CE1-CB 4.16Å; Y625-R842 HydrophobicContact CE1-CG 4.33Å; Y625-R842 HydrophobicContact CE2-CB 4.36Å
626	D	82.8	Confident	76.1	Confident	38 Å²	38	62.9 Å²	62.9	20%	0.203	30%	0.3	C	S	.	.			trans	-84.4	118.2	172.3	-175	-14.6	0	0	0	108	R628 R696	D626-R628 PolarHBondContact O-N 2.95Å; D626-R628 VanDerWaalsContact OD1-CB 3.32Å; D626-R628 WeakPolarHBondContact OD1-CB 3.29Å; D626-R628 WeakPolarHBondContact OD1-CG 3.29Å; D626-R628 IonicContact OD1-CZ 3.78Å; D626-R628 PolarHBondContact OD1-N 2.95Å; D626-R628 IonicContact OD1-NE 3.37Å; D626-R628 PolarHBondContact OD1-NE 3.24Å; D626-R628 IonicContact OD1-NH2 3.72Å; D626-R628 IonicContact OD2-CZ 3.48Å; D626-R628 IonicContact OD2-NE 3.48Å; D626-R628 PolarHBondContact OD2-NE 2.9Å; D626-R628 IonicContact OD2-NH2 2.81Å; D626-R628 PolarHBondContact OD2-NH2 3.41Å; D626-R696 PolarHBondContact O-NH1 2.97Å; D626-R696 PolarHBondContact O-NH2 3.22Å
627	P	85.6	Confident	77.4	Confident	30 Å²	30	59.7 Å²	59.7	20%	0.195	28%	0.277	C	S	.	.			trans	-76.8	5.9	-178.9	33.4	-36.9	0	0	0	113.8	Y622 Y625 L653 E654	Y622-P627 HydrophobicContact CE1-CG 4.44Å; Y625-P627 HydrophobicContact CE1-CB 4Å; P627-L653 WeakPolarHBondContact O-CD1 3.33Å; P627-E654 PolarHBondContact O-N 3.04Å
628	R	89.9	Confident	78.8	Confident	103 Å²	103	55.6 Å²	55.6	39%	0.389	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.7	179.9	-62.9	174.1	-59.7	162.9	9.7	111.6	D626 E654 R696	D626-R628 PolarHBondContact O-N 2.95Å; D626-R628 VanDerWaalsContact OD1-CB 3.32Å; D626-R628 WeakPolarHBondContact OD1-CB 3.29Å; D626-R628 WeakPolarHBondContact OD1-CG 3.29Å; D626-R628 IonicContact OD1-CZ 3.78Å; D626-R628 PolarHBondContact OD1-N 2.95Å; D626-R628 IonicContact OD1-NE 3.37Å; D626-R628 PolarHBondContact OD1-NE 3.24Å; D626-R628 IonicContact OD1-NH2 3.72Å; D626-R628 IonicContact OD2-CZ 3.48Å; D626-R628 IonicContact OD2-NE 3.48Å; D626-R628 PolarHBondContact OD2-NE 2.9Å; D626-R628 IonicContact OD2-NH2 2.81Å; D626-R628 PolarHBondContact OD2-NH2 3.41Å; R628-E654 WeakPolarHBondContact CA-O 3.29Å; R628-E654 WeakPolarHBondContact CD-OE2 3.38Å; R628-E654 HydrophobicContact CG-CB 4.03Å; R628-E654 HydrophobicContact CG-CG 4.34Å; R628-E654 VanDerWaalsContact CG-OE2 3.26Å; R628-E654 WeakPolarHBondContact CG-OE2 3.46Å; R628-R696 PolarHBondContact O-NH2 3.07Å
629	V	93.4	Very high	80.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.3	170.4	61.8	0	0	0	0	109.6	V631 L653 E654 I655 C656 L834	V629-V631 HydrophobicContact CG1-CG2 4.46Å; V629-V631 HydrophobicContact CG2-CG2 4.27Å; V629-L653 HydrophobicContact CG1-CD1 4.19Å; V629-L653 HydrophobicContact CG1-CG 4.42Å; V629-E654 PolarHBondContact N-O 3.32Å; V629-I655 HydrophobicContact CG1-CB 4.39Å; V629-I655 HydrophobicContact CG1-CG1 4Å; V629-I655 HydrophobicContact CG1-CG2 4.44Å; V629-C656 PolarHBondContact O-N 3.39Å; V629-L834 HydrophobicContact CG2-CD1 4.16Å
630	F	94.4	Very high	82.7	Confident	29 Å²	29	51 Å²	51	13%	0.127	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.7	175.1	-70	-99.7	0	0	0	109.5	C656 H689 V695 R696 W697 A698	F630-C656 CarbonylContact C-O 3.47Å; F630-C656 WeakPolarHBondContact CA-O 3.37Å; F630-C656 HydrophobicContact CD1-CB 3.42Å; F630-C656 VanDerWaalsContact CD1-CB 3.42Å; F630-C656 HydrophobicContact CD2-CB 4.5Å; F630-C656 HydrophobicContact CE1-CB 3.54Å; F630-C656 HydrophobicContact CG-CB 3.94Å; F630-C656 HydrophobicContact CZ-CB 4.16Å; F630-H689 AromaticContact CE1-CD2 3.57Å; F630-V695 HydrophobicContact CD2-CG1 3.35Å; F630-V695 HydrophobicContact CE2-CG1 3.51Å; F630-V695 HydrophobicContact CG-CG1 4.47Å; F630-R696 PolarHBondContact N-O 3.49Å; F630-W697 HydrophobicContact CB-CD2 3.48Å; F630-W697 VanDerWaalsContact CB-CD2 3.48Å; F630-W697 HydrophobicContact CB-CE3 3.53Å; F630-W697 HydrophobicContact CB-CG 4.1Å; F630-W697 HydrophobicContact CB-CH2 3.84Å; F630-W697 HydrophobicContact CB-CZ2 3.78Å; F630-W697 HydrophobicContact CB-CZ3 3.72Å; F630-W697 HydrophobicContact CD1-CH2 4.04Å; F630-W697 AromaticContact CD1-CZ2 3.97Å; F630-W697 HydrophobicContact CD1-CZ2 3.97Å; F630-W697 HydrophobicContact CG-CD2 4.35Å; F630-W697 AromaticContact CG-CE2 3.96Å; F630-W697 HydrophobicContact CG-CH2 4.17Å; F630-W697 AromaticContact CG-CZ2 3.87Å; F630-W697 HydrophobicContact CG-CZ2 3.87Å; F630-W697 CarbonylContact O-C 3.49Å; F630-W697 VanDerWaalsContact O-CA 3.31Å; F630-W697 WeakPolarHBondContact O-CA 3.49Å; F630-A698 PolarHBondContact O-N 3.27Å
631	V	95.8	Very high	84.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	109.1	-174.6	-171.1	0	0	0	0	110.5	V629 C633 L642 I655 C656 L657 A658 A698 L700 L834	V629-V631 HydrophobicContact CG1-CG2 4.46Å; V629-V631 HydrophobicContact CG2-CG2 4.27Å; V631-C633 PolarHBondContact O-N 3.38Å; V631-C633 PolarHBondContact O-SG 3.45Å; V631-L642 HydrophobicContact CB-CD2 4.02Å; V631-L642 HydrophobicContact CG1-CD2 3.7Å; V631-L642 HydrophobicContact CG2-CD2 4.13Å; V631-I655 HydrophobicContact CB-CG2 4.45Å; V631-I655 HydrophobicContact CG2-CG2 3.71Å; V631-C656 PolarHBondContact N-O 2.82Å; V631-L657 HydrophobicContact CB-CD2 4.3Å; V631-A658 PolarHBondContact O-N 2.74Å; V631-A698 CarbonylContact C-O 3.59Å; V631-A698 WeakPolarHBondContact CA-O 3.38Å; V631-A698 HydrophobicContact CG2-CB 4.43Å; V631-L700 HydrophobicContact CG1-CD1 4.1Å; V631-L700 HydrophobicContact CG1-CD2 4.46Å; V631-L700 HydrophobicContact CG1-CG 3.89Å; V631-L834 HydrophobicContact CG2-CD1 4.48Å; V631-L834 HydrophobicContact CG2-CD2 3.95Å
632	D	95.4	Very high	86.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.9	166.4	160.4	34.1	0	0	0	109.2	A634 N659 G671 P682 A698 S699 L700	D632-A634 VanDerWaalsContact C-N 3.33Å; D632-A634 PolarHBondContact OD1-N 2.99Å; D632-N659 WeakPolarHBondContact OD1-CB 3.36Å; D632-N659 PolarHBondContact OD1-ND2 2.78Å; D632-G671 WeakPolarHBondContact OD2-CA 3.35Å; D632-G671 PolarHBondContact OD2-N 3.33Å; D632-P682 HydrophobicContact CB-CG 4.15Å; D632-P682 WeakPolarHBondContact OD2-CB 3.45Å; D632-A698 PolarHBondContact N-O 2.87Å; D632-S699 WeakPolarHBondContact CB-OG 3.23Å; D632-S699 WeakPolarHBondContact O-CA 3.42Å; D632-S699 WeakPolarHBondContact OD2-CB 3.38Å; D632-S699 PolarHBondContact OD2-OG 3.31Å; D632-L700 PolarHBondContact O-N 2.85Å
633	C	95.4	Very high	88.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.175	C	C	.	.			trans	-92.9	12.8	-174.6	-60.5	0	0	0	0	113.5	V631 N635 G636 A639 A658 N659	V631-C633 PolarHBondContact O-N 3.38Å; V631-C633 PolarHBondContact O-SG 3.45Å; C633-N635 PolarHBondContact O-N 3.07Å; C633-G636 PolarHBondContact O-N 3.38Å; C633-A639 HydrophobicContact CB-CB 3.53Å; C633-A658 PolarHBondContact N-O 3.26Å; C633-N659 CarbonylContact C-O 3.54Å
634	A	95	Very high	90	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	18.2	176.9	0	0	0	0	0	115.8	D632 G636 N667 L700	D632-A634 VanDerWaalsContact C-N 3.33Å; D632-A634 PolarHBondContact OD1-N 2.99Å; A634-G636 PolarHBondContact O-N 3.05Å; A634-N667 PolarHBondContact O-N 2.64Å; A634-L700 WeakPolarHBondContact CB-O 3.4Å
635	N	93.5	Very high	91	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.053	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	24.7	-166.8	-55.7	-61.2	0	0	0	113.3	C633 N659 S661 A662 C665	C633-N635 PolarHBondContact O-N 3.07Å; N635-N659 WeakPolarHBondContact CA-O 3.37Å; N635-N659 PolarHBondContact N-O 2.78Å; N635-N659 WeakPolarHBondContact OD1-CA 3.43Å; N635-N659 PolarHBondContact OD1-O 2.86Å; N635-S661 PolarHBondContact OD1-N 2.58Å; N635-A662 PolarHBondContact OD1-N 2.9Å; N635-C665 PolarHBondContact ND2-O 2.9Å
636	G	93.3	Very high	91.6	Very high	4 Å²	4	27.7 Å²	27.7	4%	0.041	12%	0.124	C	C	.	.	S	Bend	trans	-97.5	-176.7	-176.2	0	0	0	0	0	114.3	C633 A634 G638 A639 G702	C633-G636 PolarHBondContact O-N 3.38Å; A634-G636 PolarHBondContact O-N 3.05Å; G636-G638 PolarHBondContact O-N 2.82Å; G636-A639 PolarHBondContact O-N 2.81Å; G636-G702 WeakPolarHBondContact CA-O 3.12Å
637	V	93.8	Very high	91.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-27.1	179.8	61	0	0	0	0	112.5	D550 T551 I578 T580 A639 R640 K641 G702	D550-V637 HydrophobicContact CB-CG1 4.4Å; T551-V637 HydrophobicContact CG2-CB 4Å; I578-V637 HydrophobicContact CG2-CB 4.39Å; I578-V637 HydrophobicContact CG2-CG2 3.4Å; T580-V637 HydrophobicContact CG2-CG1 4.17Å; V637-A639 PolarHBondContact O-N 3.24Å; V637-R640 PolarHBondContact O-N 3.13Å; V637-K641 HydrophobicContact CG2-CG 4.18Å; V637-K641 PolarHBondContact O-N 3.37Å; V637-G702 PolarHBondContact N-O 3.01Å; V637-G702 VanDerWaalsContact N-O 3.15Å
638	G	93.6	Very high	91.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-53.9	-34.9	177.8	0	0	0	0	0	113.8	G636 R640 K641 L642	G636-G638 PolarHBondContact O-N 2.82Å; G638-R640 PolarHBondContact O-N 2.88Å; G638-K641 PolarHBondContact O-N 3.44Å; G638-L642 WeakPolarHBondContact O-CB 3.27Å; G638-L642 PolarHBondContact O-N 3.35Å
639	A	92.2	Very high	91.5	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-47.9	179	0	0	0	0	0	112.4	C633 G636 V637 K641 Y643 R660	C633-A639 HydrophobicContact CB-CB 3.53Å; G636-A639 PolarHBondContact O-N 2.81Å; V637-A639 PolarHBondContact O-N 3.24Å; A639-K641 VanDerWaalsContact C-N 3.35Å; A639-K641 PolarHBondContact O-N 3.03Å; A639-Y643 WeakPolarHBondContact O-CB 3.15Å; A639-Y643 PolarHBondContact O-N 3.11Å; A639-R660 HydrophobicContact CB-CB 4.14Å; A639-R660 HydrophobicContact CB-CG 4.44Å; A639-R660 WeakPolarHBondContact CB-O 3.17Å
640	R	90	Very high	90.9	Very high	136 Å²	136	36.4 Å²	36.4	51%	0.513	17%	0.169	S	C	.	.	H	α-helix	trans	-65.9	-39.4	-178.8	-178.4	175.3	176.2	-178.5	-1.4	111.5	V637 G638	V637-R640 PolarHBondContact O-N 3.13Å; G638-R640 PolarHBondContact O-N 2.88Å
641	K	93	Very high	90	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-76.9	-40.6	-176.5	-54.2	-49.9	-170.5	171.6	0	111.4	I578 T580 E600 F604 V637 G638 A639 Y643 N644 I831	I578-K641 VanDerWaalsContact O-CE 3.28Å; I578-K641 WeakPolarHBondContact O-CE 3.45Å; I578-K641 PolarHBondContact O-NZ 2.66Å; T580-K641 HydrophobicContact CG2-CB 4.09Å; T580-K641 HydrophobicContact CG2-CG 3.71Å; E600-K641 VanDerWaalsContact CD-NZ 3.3Å; E600-K641 VanDerWaalsContact OE1-CD 3.27Å; E600-K641 WeakPolarHBondContact OE1-CD 3.47Å; E600-K641 VanDerWaalsContact OE1-CE 3.29Å; E600-K641 WeakPolarHBondContact OE1-CE 3.22Å; E600-K641 IonicContact OE1-NZ 3.65Å; E600-K641 PolarHBondContact OE1-NZ 3.06Å; E600-K641 IonicContact OE2-NZ 3.35Å; E600-K641 PolarHBondContact OE2-NZ 2.98Å; F604-K641 HydrophobicContact CE1-CB 4.35Å; F604-K641 HydrophobicContact CZ-CB 4.02Å; F604-K641 HydrophobicContact CZ-CD 4.16Å; V637-K641 HydrophobicContact CG2-CG 4.18Å; V637-K641 PolarHBondContact O-N 3.37Å; G638-K641 PolarHBondContact O-N 3.44Å; A639-K641 VanDerWaalsContact C-N 3.35Å; A639-K641 PolarHBondContact O-N 3.03Å; K641-Y643 VanDerWaalsContact C-N 3.34Å; K641-N644 PolarHBondContact O-N 3.27Å; K641-I831 HydrophobicContact CB-CD1 4.03Å
642	L	92.2	Very high	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.7	-28.6	177.4	-167.1	61.1	0	0	0	112.2	V631 G638 N644 I645 A646 I655 L657 L700 I831 L834	V631-L642 HydrophobicContact CB-CD2 4.02Å; V631-L642 HydrophobicContact CG1-CD2 3.7Å; V631-L642 HydrophobicContact CG2-CD2 4.13Å; G638-L642 WeakPolarHBondContact O-CB 3.27Å; G638-L642 PolarHBondContact O-N 3.35Å; L642-N644 VanDerWaalsContact C-N 3.31Å; L642-N644 PolarHBondContact O-N 2.93Å; L642-I645 HydrophobicContact CD1-CB 4.34Å; L642-I645 HydrophobicContact CD1-CD1 4.47Å; L642-I645 HydrophobicContact CD1-CG2 4.45Å; L642-I645 PolarHBondContact O-N 3.03Å; L642-A646 WeakPolarHBondContact O-CB 3.28Å; L642-A646 PolarHBondContact O-N 3.21Å; L642-I655 HydrophobicContact CD1-CD1 4.15Å; L642-I655 HydrophobicContact CD2-CG2 3.99Å; L642-I655 HydrophobicContact CG-CG2 4.2Å; L642-L657 HydrophobicContact CB-CD2 4.16Å; L642-L657 HydrophobicContact CD2-CD2 3.5Å; L642-L657 HydrophobicContact CG-CD2 3.76Å; L642-L700 HydrophobicContact CD2-CD1 4.28Å; L642-I831 HydrophobicContact CD1-CG2 4.21Å; L642-L834 HydrophobicContact CD1-CD2 4.02Å; L642-L834 HydrophobicContact CD2-CD2 3.96Å
643	Y	90.4	Very high	88.9	Confident	139 Å²	139	45.6 Å²	45.6	55%	0.545	22%	0.22	S	C	.	.	H	α-helix	trans	-57	-42	173.2	179.6	-94.1	0	0	0	113	A639 K641 T647 L657	A639-Y643 WeakPolarHBondContact O-CB 3.15Å; A639-Y643 PolarHBondContact O-N 3.11Å; K641-Y643 VanDerWaalsContact C-N 3.34Å; Y643-T647 PolarHBondContact O-N 2.85Å; Y643-T647 VanDerWaalsContact O-N 3.13Å; Y643-T647 PolarHBondContact O-OG1 3.08Å; Y643-L657 HydrophobicContact CD2-CD1 4.2Å
644	N	85.7	Confident	88.6	Confident	71 Å²	71	49.6 Å²	49.6	38%	0.38	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-47.3	176.7	-66.8	-8.1	0	0	0	110.6	K641 L642 T647 E648	K641-N644 PolarHBondContact O-N 3.27Å; L642-N644 VanDerWaalsContact C-N 3.31Å; L642-N644 PolarHBondContact O-N 2.93Å; N644-T647 PolarHBondContact O-N 3.34Å; N644-E648 WeakPolarHBondContact O-CG 3.46Å; N644-E648 PolarHBondContact O-N 3.41Å
645	I	88.9	Confident	88.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-46.2	178.8	-64.8	169.1	0	0	0	111.3	F604 L607 L608 L642 T647 E648 V649 I831 L835	F604-I645 HydrophobicContact CD1-CD1 3.81Å; F604-I645 HydrophobicContact CD1-CG1 3.65Å; F604-I645 HydrophobicContact CE1-CD1 3.77Å; F604-I645 HydrophobicContact CE1-CG1 3.84Å; L607-I645 HydrophobicContact CD2-CD1 3.74Å; L608-I645 HydrophobicContact CD2-CG2 3.99Å; L642-I645 HydrophobicContact CD1-CB 4.34Å; L642-I645 HydrophobicContact CD1-CD1 4.47Å; L642-I645 HydrophobicContact CD1-CG2 4.45Å; L642-I645 PolarHBondContact O-N 3.03Å; I645-T647 PolarHBondContact O-N 2.85Å; I645-E648 PolarHBondContact O-N 3.24Å; I645-E648 VanDerWaalsContact O-N 3.08Å; I645-V649 HydrophobicContact CG2-CG1 4.24Å; I645-V649 HydrophobicContact CG2-CG2 4.45Å; I645-V649 WeakPolarHBondContact O-CG2 3.48Å; I645-V649 PolarHBondContact O-N 3.45Å; I645-I831 HydrophobicContact CD1-CG2 3.27Å; I645-L835 HydrophobicContact CG2-CD1 4.28Å; I645-L835 HydrophobicContact CG2-CD2 4.46Å
646	A	89.7	Confident	88.4	Confident	13 Å²	13	51 Å²	51	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-33.8	-179.2	0	0	0	0	0	112.4	L642 K650 I655	L642-A646 WeakPolarHBondContact O-CB 3.28Å; L642-A646 PolarHBondContact O-N 3.21Å; A646-K650 WeakPolarHBondContact O-CB 3.31Å; A646-K650 PolarHBondContact O-N 3Å; A646-I655 HydrophobicContact CB-CB 3.82Å; A646-I655 HydrophobicContact CB-CD1 4.38Å; A646-I655 HydrophobicContact CB-CG2 4.31Å
647	T	87.3	Confident	88.4	Confident	76 Å²	76	51.7 Å²	51.7	47%	0.466	25%	0.25	S	S	.	.	H	α-helix	trans	-69.1	-41.4	176.8	-56.5	0	0	0	0	111.4	Y643 N644 I645	Y643-T647 PolarHBondContact O-N 2.85Å; Y643-T647 VanDerWaalsContact O-N 3.13Å; Y643-T647 PolarHBondContact O-OG1 3.08Å; N644-T647 PolarHBondContact O-N 3.34Å; I645-T647 PolarHBondContact O-N 2.85Å
648	E	84.5	Confident	88.3	Confident	125 Å²	125	51.7 Å²	51.7	58%	0.584	25%	0.25	S	S	*	.	H	α-helix	trans	-75.3	-40.2	-177.6	-62.6	-65.5	153.6	0	0	112.6	L608 N644 I645 K650	L608-E648 HydrophobicContact CD1-CB 3.72Å; L608-E648 HydrophobicContact CD1-CG 3.7Å; L608-E648 HydrophobicContact CD2-CB 3.84Å; L608-E648 HydrophobicContact CG-CB 4.43Å; N644-E648 WeakPolarHBondContact O-CG 3.46Å; N644-E648 PolarHBondContact O-N 3.41Å; I645-E648 PolarHBondContact O-N 3.24Å; I645-E648 VanDerWaalsContact O-N 3.08Å; E648-K650 VanDerWaalsContact C-N 3.34Å; E648-K650 PolarHBondContact O-N 2.73Å
649	V	85	Confident	88.2	Confident	8 Å²	8	51.7 Å²	51.7	5%	0.048	25%	0.25	C	S	.	.	S	Bend	trans	-86.5	0.1	-177.7	-54.6	0	0	0	0	114.4	L608 Y611 I645 M651 C652 L653 I655	L608-V649 HydrophobicContact CD2-CG1 3.41Å; L608-V649 VanDerWaalsContact CD2-CG1 3.41Å; Y611-V649 HydrophobicContact CD1-CB 4.39Å; Y611-V649 HydrophobicContact CD1-CG1 3.84Å; Y611-V649 HydrophobicContact CE1-CB 4.18Å; Y611-V649 HydrophobicContact CE1-CG1 4.13Å; I645-V649 HydrophobicContact CG2-CG1 4.24Å; I645-V649 HydrophobicContact CG2-CG2 4.45Å; I645-V649 WeakPolarHBondContact O-CG2 3.48Å; I645-V649 PolarHBondContact O-N 3.45Å; V649-M651 PolarHBondContact O-N 3.05Å; V649-C652 PolarHBondContact O-N 2.93Å; V649-L653 HydrophobicContact CG2-CB 4.18Å; V649-L653 HydrophobicContact CG2-CD2 4.48Å; V649-L653 PolarHBondContact O-N 3.21Å; V649-I655 HydrophobicContact CG2-CD1 3.97Å; V649-I655 HydrophobicContact CG2-CG1 4.39Å
650	K	80.5	Confident	88	Confident	145 Å²	145	57.2 Å²	57.2	63%	0.63	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.1	-169.6	-170	173.6	-178.3	177.1	0	114.5	A646 E648 C652 L653	A646-K650 WeakPolarHBondContact O-CB 3.31Å; A646-K650 PolarHBondContact O-N 3Å; E648-K650 VanDerWaalsContact C-N 3.34Å; E648-K650 PolarHBondContact O-N 2.73Å; K650-C652 VanDerWaalsContact C-N 3.28Å; K650-C652 PolarHBondContact O-N 3.09Å; K650-L653 WeakPolarHBondContact CA-O 3.43Å
651	M	75.4	Confident	87.2	Confident	170 Å²	170	54.7 Å²	54.7	84%	0.837	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.8	178.1	-66.4	-165.7	68.9	0	0	113.5	V649	V649-M651 PolarHBondContact O-N 3.05Å
652	C	80	Confident	85.7	Confident	53 Å²	53	55.6 Å²	55.6	36%	0.358	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-30	-175.3	-71.9	0	0	0	0	113.3	Y611 V649 K650	Y611-C652 HydrophobicContact CE1-CB 4.27Å; V649-C652 PolarHBondContact O-N 2.93Å; K650-C652 VanDerWaalsContact C-N 3.28Å; K650-C652 PolarHBondContact O-N 3.09Å
653	L	86.7	Confident	84.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.293	C	S	.	.			trans	-148.4	122.9	-175.9	-179.6	73.1	0	0	0	109.1	Y611 Y625 P627 V629 V649 K650 I655 L835 E838	Y611-L653 WeakPolarHBondContact OH-CB 3.27Å; Y625-L653 VanDerWaalsContact OH-CD1 3.29Å; Y625-L653 WeakPolarHBondContact OH-CD1 3.47Å; P627-L653 WeakPolarHBondContact O-CD1 3.33Å; V629-L653 HydrophobicContact CG1-CD1 4.19Å; V629-L653 HydrophobicContact CG1-CG 4.42Å; V649-L653 HydrophobicContact CG2-CB 4.18Å; V649-L653 HydrophobicContact CG2-CD2 4.48Å; V649-L653 PolarHBondContact O-N 3.21Å; K650-L653 WeakPolarHBondContact CA-O 3.43Å; L653-I655 HydrophobicContact CD2-CD1 3.86Å; L653-I655 HydrophobicContact CD2-CG1 3.75Å; L653-I655 HydrophobicContact CG-CG1 3.89Å; L653-L835 HydrophobicContact CD2-CD2 4.07Å; L653-E838 HydrophobicContact CD1-CB 4.12Å; L653-E838 HydrophobicContact CD1-CG 3.98Å; L653-E838 HydrophobicContact CD2-CB 4.15Å; L653-E838 HydrophobicContact CD2-CG 4.13Å
654	E	89.8	Confident	83.5	Confident	84 Å²	84	55.5 Å²	55.5	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	101.4	176.5	-176.5	173.8	-160.4	0	0	109.5	P627 R628 V629	P627-E654 PolarHBondContact O-N 3.04Å; R628-E654 WeakPolarHBondContact CA-O 3.29Å; R628-E654 WeakPolarHBondContact CD-OE2 3.38Å; R628-E654 HydrophobicContact CG-CB 4.03Å; R628-E654 HydrophobicContact CG-CG 4.34Å; R628-E654 VanDerWaalsContact CG-OE2 3.26Å; R628-E654 WeakPolarHBondContact CG-OE2 3.46Å; V629-E654 PolarHBondContact N-O 3.32Å
655	I	93.1	Very high	83.4	Confident	16 Å²	16	53 Å²	53	8%	0.082	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.1	177.4	-53.3	-179.8	0	0	0	109.3	V629 V631 L642 A646 V649 L653 L657 L834	V629-I655 HydrophobicContact CG1-CB 4.39Å; V629-I655 HydrophobicContact CG1-CG1 4Å; V629-I655 HydrophobicContact CG1-CG2 4.44Å; V631-I655 HydrophobicContact CB-CG2 4.45Å; V631-I655 HydrophobicContact CG2-CG2 3.71Å; L642-I655 HydrophobicContact CD1-CD1 4.15Å; L642-I655 HydrophobicContact CD2-CG2 3.99Å; L642-I655 HydrophobicContact CG-CG2 4.2Å; A646-I655 HydrophobicContact CB-CB 3.82Å; A646-I655 HydrophobicContact CB-CD1 4.38Å; A646-I655 HydrophobicContact CB-CG2 4.31Å; V649-I655 HydrophobicContact CG2-CD1 3.97Å; V649-I655 HydrophobicContact CG2-CG1 4.39Å; L653-I655 HydrophobicContact CD2-CD1 3.86Å; L653-I655 HydrophobicContact CD2-CG1 3.75Å; L653-I655 HydrophobicContact CG-CG1 3.89Å; I655-L657 HydrophobicContact CG2-CD2 3.75Å; I655-L834 HydrophobicContact CD1-CD2 4.46Å
656	C	91.6	Very high	83.6	Confident	23 Å²	23	53.5 Å²	53.5	16%	0.155	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	106	178.7	-65.4	0	0	0	0	110.6	V629 F630 V631	V629-C656 PolarHBondContact O-N 3.39Å; F630-C656 CarbonylContact C-O 3.47Å; F630-C656 WeakPolarHBondContact CA-O 3.37Å; F630-C656 HydrophobicContact CD1-CB 3.42Å; F630-C656 VanDerWaalsContact CD1-CB 3.42Å; F630-C656 HydrophobicContact CD2-CB 4.5Å; F630-C656 HydrophobicContact CE1-CB 3.54Å; F630-C656 HydrophobicContact CG-CB 3.94Å; F630-C656 HydrophobicContact CZ-CB 4.16Å; V631-C656 PolarHBondContact N-O 2.82Å
657	L	92.6	Very high	83.7	Confident	19 Å²	19	54.1 Å²	54.1	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134	-176.8	-54.4	-179.3	0	0	0	112.4	V631 L642 Y643 I655 R660 H689	V631-L657 HydrophobicContact CB-CD2 4.3Å; L642-L657 HydrophobicContact CB-CD2 4.16Å; L642-L657 HydrophobicContact CD2-CD2 3.5Å; L642-L657 HydrophobicContact CG-CD2 3.76Å; Y643-L657 HydrophobicContact CD2-CD1 4.2Å; I655-L657 HydrophobicContact CG2-CD2 3.75Å; L657-R660 HydrophobicContact CB-CG 3.96Å; L657-H689 PolarHBondContact O-CE1 3.33Å
658	A	92.1	Very high	84	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	159.8	171.8	0	0	0	0	0	110.6	V631 C633 I684 W697	V631-A658 PolarHBondContact O-N 2.74Å; C633-A658 PolarHBondContact N-O 3.26Å; A658-I684 HydrophobicContact CB-CD1 4.17Å; A658-I684 HydrophobicContact CB-CG2 4.12Å; A658-W697 HydrophobicContact CB-CZ3 4.27Å
659	N	92.1	Very high	84.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	52.1	60.6	-178.8	-64	-25.9	0	0	0	111.7	D632 C633 N635 C670 Y683 I684 Y685 D686	D632-N659 WeakPolarHBondContact OD1-CB 3.36Å; D632-N659 PolarHBondContact OD1-ND2 2.78Å; C633-N659 CarbonylContact C-O 3.54Å; N635-N659 WeakPolarHBondContact CA-O 3.37Å; N635-N659 PolarHBondContact N-O 2.78Å; N635-N659 WeakPolarHBondContact OD1-CA 3.43Å; N635-N659 PolarHBondContact OD1-O 2.86Å; N659-C670 VanDerWaalsContact ND2-CB 3.32Å; N659-C670 WeakPolarHBondContact ND2-CB 3.15Å; N659-Y683 PolarHBondContact ND2-O 3.38Å; N659-Y683 PolarHBondContact OD1-O 2.85Å; N659-I684 WeakPolarHBondContact OD1-CA 3.21Å; N659-Y685 WeakPolarHBondContact OD1-CD2 3.5Å; N659-Y685 PolarHBondContact OD1-N 2.9Å; N659-D686 PolarHBondContact N-OD2 3.45Å; N659-D686 VanDerWaalsContact N-OD2 3.11Å
660	R	87.8	Confident	84.8	Confident	120 Å²	120	53.6 Å²	53.6	45%	0.453	27%	0.273	S	S	.	.			trans	-85.8	-34.6	-168.1	-65.2	171.6	-64.8	165.4	4.2	114.4	A639 L657 D686	A639-R660 HydrophobicContact CB-CB 4.14Å; A639-R660 HydrophobicContact CB-CG 4.44Å; A639-R660 WeakPolarHBondContact CB-O 3.17Å; L657-R660 HydrophobicContact CB-CG 3.96Å; R660-D686 IonicContact CZ-OD2 3.21Å; R660-D686 PolarHBondContact N-OD2 2.93Å; R660-D686 IonicContact NE-OD2 2.76Å; R660-D686 PolarHBondContact NE-OD2 3.35Å; R660-D686 IonicContact NH2-OD2 3.59Å
661	S	72.5	Confident	85.5	Confident	82 Å²	82	46.8 Å²	46.8	57%	0.573	24%	0.243	S	C	*	.			trans	-178.5	51.7	-179	-173.4	0	0	0	0	111.4	N635 E663	N635-S661 PolarHBondContact OD1-N 2.58Å; S661-E663 PolarHBondContact O-N 3.38Å
662	A	61.5	Low	86.5	Confident	24 Å²	24	38.7 Å²	38.7	20%	0.198	20%	0.203	C	C	.	.			trans	-65.5	122.3	166.2	0	0	0	0	0	108.9	N635 D664 C665 Y685	N635-A662 PolarHBondContact OD1-N 2.9Å; A662-D664 PolarHBondContact O-N 3.36Å; A662-C665 HydrophobicContact CB-CB 3.85Å; A662-C665 PolarHBondContact O-N 3.01Å; A662-Y685 HydrophobicContact CB-CD1 4.26Å; A662-Y685 HydrophobicContact CB-CG 4.01Å
663	E	64.6	Low	87.1	Confident	52 Å²	52	38.7 Å²	38.7	24%	0.243	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	139.2	-178	-67.7	-169.5	-154.2	0	0	110.8	L264 S661 C665	L264-E663 HydrophobicContact CD1-CB 3.5Å; L264-E663 VanDerWaalsContact CD1-CB 3.5Å; L264-E663 HydrophobicContact CD1-CG 3.44Å; L264-E663 VanDerWaalsContact CD1-CG 3.44Å; L264-E663 VanDerWaalsContact CD1-OE1 3.26Å; L264-E663 WeakPolarHBondContact CD1-OE1 3.07Å; L264-E663 WeakPolarHBondContact CD1-OE2 3.21Å; L264-E663 HydrophobicContact CD2-CB 4.38Å; S661-E663 PolarHBondContact O-N 3.38Å; E663-C665 PolarHBondContact O-N 3Å; E663-C665 PolarHBondContact O-SG 3.37Å; E663-C665 VanDerWaalsContact O-SG 3.35Å
664	D	72.6	Confident	87.5	Confident	84 Å²	84	41.3 Å²	41.3	45%	0.449	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	1.8	-177.9	-61.2	-34.6	0	0	0	117.6	I471 A662 L666	I471-D664 HydrophobicContact CD1-CB 4.36Å; A662-D664 PolarHBondContact O-N 3.36Å; D664-L666 PolarHBondContact O-N 3Å
665	C	83.9	Confident	87.7	Confident	19 Å²	19	37.3 Å²	37.3	13%	0.128	19%	0.191	C	C	.	.			trans	-97.5	26.2	-176.2	-63.2	0	0	0	0	114.6	N635 A662 E663 N667 E668 Y685	N635-C665 PolarHBondContact ND2-O 2.9Å; A662-C665 HydrophobicContact CB-CB 3.85Å; A662-C665 PolarHBondContact O-N 3.01Å; E663-C665 PolarHBondContact O-N 3Å; E663-C665 PolarHBondContact O-SG 3.37Å; E663-C665 VanDerWaalsContact O-SG 3.35Å; C665-N667 PolarHBondContact O-N 3.08Å; C665-E668 HydrophobicContact CB-CB 4.24Å; C665-E668 PolarHBondContact O-N 3.35Å; C665-E668 VanDerWaalsContact O-N 3.12Å; C665-E668 PolarHBondContact SG-OE2 3.48Å; C665-E668 VanDerWaalsContact SG-OE2 3.41Å; C665-Y685 HydrophobicContact CB-CE1 4.21Å; C665-Y685 HydrophobicContact CB-CE2 4.23Å
666	L	91.6	Very high	87.8	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.052	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	119.3	179.2	179.7	67	0	0	0	111	I471 R552 D664 E668	I471-L666 HydrophobicContact CB-CB 4.35Å; I471-L666 HydrophobicContact CD1-CB 4.43Å; I471-L666 HydrophobicContact CG1-CB 4.42Å; R552-L666 HydrophobicContact CG-CD2 3.61Å; D664-L666 PolarHBondContact O-N 3Å; L666-E668 PolarHBondContact O-N 3.42Å
667	N	92.9	Very high	87.6	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.139	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	17.5	-173.5	-52.4	-59	0	0	0	114.7	S467 H468 N469 A634 C665 Q669 C670 G702	S467-N667 PolarHBondContact O-ND2 3.22Å; H468-N667 VanDerWaalsContact C-ND2 3.33Å; H468-N667 WeakPolarHBondContact CA-ND2 3.32Å; H468-N667 PolarHBondContact O-ND2 2.94Å; N469-N667 PolarHBondContact O-ND2 3.42Å; A634-N667 PolarHBondContact O-N 2.64Å; C665-N667 PolarHBondContact O-N 3.08Å; N667-Q669 PolarHBondContact O-N 2.98Å; N667-C670 CarbonylContact C-O 3.52Å; N667-G702 WeakPolarHBondContact OD1-CA 3.08Å; N667-G702 PolarHBondContact OD1-N 3.08Å
668	E	92.5	Very high	87.4	Confident	97 Å²	97	43.9 Å²	43.9	45%	0.453	23%	0.225	S	C	.	.	S	Bend	trans	-85.3	107.8	-177.2	-172.1	175.3	-162.4	0	0	110.5	C665 L666 C670 Y685	C665-E668 HydrophobicContact CB-CB 4.24Å; C665-E668 PolarHBondContact O-N 3.35Å; C665-E668 VanDerWaalsContact O-N 3.12Å; C665-E668 PolarHBondContact SG-OE2 3.48Å; C665-E668 VanDerWaalsContact SG-OE2 3.41Å; L666-E668 PolarHBondContact O-N 3.42Å; E668-C670 PolarHBondContact O-N 3.24Å; E668-C670 PolarHBondContact O-SG 2.81Å; E668-Y685 VanDerWaalsContact O-CE2 3.31Å; E668-Y685 WeakPolarHBondContact O-CE2 3.48Å; E668-Y685 PolarHBondContact O-OH 3.39Å
669	Q	92.9	Very high	87.3	Confident	100 Å²	100	47.1 Å²	47.1	47%	0.467	24%	0.239	S	C	.	.	S	Bend	trans	56.5	18.9	-177	-56.6	-175.3	-32.7	0	0	114.7	N667 Y674 P682 Y683	N667-Q669 PolarHBondContact O-N 2.98Å; Q669-Y674 HydrophobicContact CB-CE2 4.12Å; Q669-Y674 HydrophobicContact CG-CE2 4.37Å; Q669-Y674 VanDerWaalsContact O-CD1 3.32Å; Q669-Y674 WeakPolarHBondContact O-CD1 3.3Å; Q669-Y674 VanDerWaalsContact O-CE1 3.25Å; Q669-Y674 WeakPolarHBondContact O-CE1 3.39Å; Q669-P682 WeakPolarHBondContact O-CA 3.49Å; Q669-Y683 PolarHBondContact O-N 3.25Å
670	C	94.2	Very high	87.3	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.014	26%	0.263	C	S	.	.			trans	-146.9	170.8	179.5	60.2	0	0	0	0	110.1	N659 N667 E668 Y674 P682	N659-C670 VanDerWaalsContact ND2-CB 3.32Å; N659-C670 WeakPolarHBondContact ND2-CB 3.15Å; N667-C670 CarbonylContact C-O 3.52Å; E668-C670 PolarHBondContact O-N 3.24Å; E668-C670 PolarHBondContact O-SG 2.81Å; C670-Y674 WeakPolarHBondContact O-CB 3.45Å; C670-P682 HydrophobicContact CB-CB 3.97Å
671	G	95.1	Very high	87.5	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	89	167.9	179.8	0	0	0	0	0	114.9	D632 D673 Y674 V675 L700	D632-G671 WeakPolarHBondContact OD2-CA 3.35Å; D632-G671 PolarHBondContact OD2-N 3.33Å; G671-D673 VanDerWaalsContact C-N 3.33Å; G671-D673 PolarHBondContact O-N 3.38Å; G671-Y674 PolarHBondContact O-N 2.71Å; G671-Y674 VanDerWaalsContact O-N 3.16Å; G671-V675 WeakPolarHBondContact O-CG2 3.39Å; G671-V675 PolarHBondContact O-N 3.07Å; G671-L700 CarbonylContact C-O 3.59Å; G671-L700 WeakPolarHBondContact CA-O 3.48Å
672	A	96.5	Very high	88.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-42	-170.2	0	0	0	0	0	113.5	K676 S699 L700 D701 R706 V708	A672-K676 WeakPolarHBondContact O-CB 3.45Å; A672-K676 PolarHBondContact O-N 3.02Å; A672-S699 WeakPolarHBondContact CB-O 3.17Å; A672-L700 PolarHBondContact N-O 2.79Å; A672-D701 HydrophobicContact CB-CB 4.27Å; A672-R706 HydrophobicContact CB-CB 4.09Å; A672-V708 HydrophobicContact CB-CG1 4.45Å; A672-V708 HydrophobicContact CB-CG2 3.99Å
673	D	93.3	Very high	89.8	Confident	53 Å²	53	50.8 Å²	50.8	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-65.2	-41.5	179.9	-168.5	73.4	0	0	0	111.7	H468 G671 S677	H468-D673 HydrophobicContact CB-CB 3.74Å; H468-D673 IonicContact CD2-OD1 2.91Å; H468-D673 IonicContact CD2-OD2 3.76Å; G671-D673 VanDerWaalsContact C-N 3.33Å; G671-D673 PolarHBondContact O-N 3.38Å; D673-S677 WeakPolarHBondContact O-CB 3.27Å; D673-S677 PolarHBondContact O-N 3.04Å; D673-S677 PolarHBondContact O-OG 2.84Å
674	Y	94.3	Very high	91	Very high	56 Å²	56	49.5 Å²	49.5	22%	0.22	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-52.2	176.6	177.2	-95.8	0	0	0	111.2	Q669 C670 G671 K676 S677 E678 P682	Q669-Y674 HydrophobicContact CB-CE2 4.12Å; Q669-Y674 HydrophobicContact CG-CE2 4.37Å; Q669-Y674 VanDerWaalsContact O-CD1 3.32Å; Q669-Y674 WeakPolarHBondContact O-CD1 3.3Å; Q669-Y674 VanDerWaalsContact O-CE1 3.25Å; Q669-Y674 WeakPolarHBondContact O-CE1 3.39Å; C670-Y674 WeakPolarHBondContact O-CB 3.45Å; G671-Y674 PolarHBondContact O-N 2.71Å; G671-Y674 VanDerWaalsContact O-N 3.16Å; Y674-K676 VanDerWaalsContact C-N 3.31Å; Y674-K676 PolarHBondContact O-N 3.11Å; Y674-S677 PolarHBondContact O-N 3.08Å; Y674-S677 PolarHBondContact O-OG 3.18Å; Y674-E678 HydrophobicContact CD2-CG 3.81Å; Y674-E678 HydrophobicContact CE2-CB 4.25Å; Y674-E678 HydrophobicContact CE2-CG 3.6Å; Y674-E678 HydrophobicContact CG-CG 4.49Å; Y674-E678 WeakPolarHBondContact O-CB 3.44Å; Y674-E678 PolarHBondContact O-N 3.28Å; Y674-P682 HydrophobicContact CD1-CB 4.49Å
675	V	95	Very high	91.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-42.6	-178.7	174.9	0	0	0	0	111.3	G671 K679 P682 S699 V708 Y710 F718 L720	G671-V675 WeakPolarHBondContact O-CG2 3.39Å; G671-V675 PolarHBondContact O-N 3.07Å; V675-K679 VanDerWaalsContact O-CA 3.23Å; V675-K679 WeakPolarHBondContact O-CA 3.21Å; V675-K679 PolarHBondContact O-N 3.38Å; V675-P682 HydrophobicContact CG2-CB 4.08Å; V675-P682 HydrophobicContact CG2-CG 4.15Å; V675-S699 WeakPolarHBondContact CG2-OG 2.92Å; V675-V708 HydrophobicContact CB-CG2 4.12Å; V675-V708 HydrophobicContact CG1-CG2 4.06Å; V675-Y710 HydrophobicContact CG1-CD1 3.59Å; V675-Y710 HydrophobicContact CG1-CE1 3.84Å; V675-Y710 HydrophobicContact CG1-CG 4.16Å; V675-Y710 HydrophobicContact CG2-CE1 4.14Å; V675-F718 HydrophobicContact CG1-CE2 4.32Å; V675-F718 HydrophobicContact CG1-CZ 3.68Å; V675-L720 HydrophobicContact CG1-CD1 4.05Å
676	K	93.5	Very high	90.9	Very high	37 Å²	37	48.8 Å²	48.8	16%	0.161	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-43.5	177.6	173.5	57.7	-177.9	169.9	0	112.8	A672 Y674 V708 L720 D722 P796	A672-K676 WeakPolarHBondContact O-CB 3.45Å; A672-K676 PolarHBondContact O-N 3.02Å; Y674-K676 VanDerWaalsContact C-N 3.31Å; Y674-K676 PolarHBondContact O-N 3.11Å; K676-V708 HydrophobicContact CB-CG1 4.5Å; K676-L720 HydrophobicContact CD-CD2 3.72Å; K676-D722 HydrophobicContact CD-CB 4.1Å; K676-D722 IonicContact NZ-OD2 3.82Å; K676-D722 PolarHBondContact NZ-OD2 3.26Å; K676-P796 WeakPolarHBondContact CD-O 3.46Å; K676-P796 WeakPolarHBondContact CE-O 3.11Å
677	S	87.7	Confident	89.3	Confident	61 Å²	61	53.6 Å²	53.6	43%	0.427	27%	0.272	S	S	.	.	H	α-helix	trans	-78.6	-44.5	-173.6	58.7	0	0	0	0	112.8	D673 Y674	D673-S677 WeakPolarHBondContact O-CB 3.27Å; D673-S677 PolarHBondContact O-N 3.04Å; D673-S677 PolarHBondContact O-OG 2.84Å; Y674-S677 PolarHBondContact O-N 3.08Å; Y674-S677 PolarHBondContact O-OG 3.18Å
678	E	89.5	Confident	87.7	Confident	97 Å²	97	56 Å²	56	45%	0.453	29%	0.291	S	S	.	.	H	α-helix	trans	-84.7	-16.9	-179	-65.1	-58.7	130.5	0	0	112.9	Y674 K680	Y674-E678 HydrophobicContact CD2-CG 3.81Å; Y674-E678 HydrophobicContact CE2-CB 4.25Å; Y674-E678 HydrophobicContact CE2-CG 3.6Å; Y674-E678 HydrophobicContact CG-CG 4.49Å; Y674-E678 WeakPolarHBondContact O-CB 3.44Å; Y674-E678 PolarHBondContact O-N 3.28Å; E678-K680 VanDerWaalsContact C-N 3.29Å; E678-K680 WeakPolarHBondContact O-CG 3.39Å; E678-K680 PolarHBondContact O-N 2.94Å
679	K	90.2	Very high	86.4	Confident	68 Å²	68	53.9 Å²	53.9	30%	0.296	28%	0.281	S	S	.	.			trans	52.2	46.6	-177.5	-61.4	-176.4	176.5	-178	0	112.1	V675 F718 N860	V675-K679 VanDerWaalsContact O-CA 3.23Å; V675-K679 WeakPolarHBondContact O-CA 3.21Å; V675-K679 PolarHBondContact O-N 3.38Å; K679-F718 VanDerWaalsContact C-CD1 3.47Å; K679-F718 HydrophobicContact CB-CE1 4.36Å; K679-F718 WeakPolarHBondContact O-CD1 3.38Å; K679-N860 PolarHBondContact NZ-O 2.82Å; K679-N860 PolarHBondContact NZ-OD1 2.83Å
680	K	91.3	Very high	85.3	Confident	118 Å²	118	57 Å²	57	51%	0.513	30%	0.296	S	S	.	.	S	Bend	trans	-142.5	164.2	-177.2	-71.3	171.7	-170.8	170	0	109.9	E678	E678-K680 VanDerWaalsContact C-N 3.29Å; E678-K680 WeakPolarHBondContact O-CG 3.39Å; E678-K680 PolarHBondContact O-N 2.94Å
681	V	91.6	Very high	84.5	Confident	49 Å²	49	59.2 Å²	59.2	30%	0.297	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-62.3	142	170.4	-67.8	0	0	0	0	111.7	I691 I712 F718	V681-I691 HydrophobicContact CB-CD1 3.58Å; V681-I691 HydrophobicContact CG1-CD1 3.84Å; V681-I691 HydrophobicContact CG1-CG2 4.33Å; V681-I691 HydrophobicContact CG2-CD1 3.95Å; V681-I712 HydrophobicContact CG1-CD1 3.76Å; V681-I712 HydrophobicContact CG1-CG1 3.93Å; V681-F718 HydrophobicContact CG1-CD2 3.94Å; V681-F718 HydrophobicContact CG1-CE2 4.24Å
682	P	93.1	Very high	83.9	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.032	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69.5	156.4	174.9	31.5	-35.2	0	0	0	110.9	D632 Q669 C670 Y674 V675 I684 Y710	D632-P682 HydrophobicContact CB-CG 4.15Å; D632-P682 WeakPolarHBondContact OD2-CB 3.45Å; Q669-P682 WeakPolarHBondContact O-CA 3.49Å; C670-P682 HydrophobicContact CB-CB 3.97Å; Y674-P682 HydrophobicContact CD1-CB 4.49Å; V675-P682 HydrophobicContact CG2-CB 4.08Å; V675-P682 HydrophobicContact CG2-CG 4.15Å; P682-I684 HydrophobicContact CG-CD1 3.97Å; P682-Y710 VanDerWaalsContact CD-OH 3.28Å; P682-Y710 WeakPolarHBondContact CD-OH 3.35Å; P682-Y710 WeakPolarHBondContact CG-OH 3.25Å
683	Y	90.4	Very high	83.4	Confident	131 Å²	131	66.2 Å²	66.2	51%	0.514	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-72.1	128.4	166.4	-172.3	-96.5	0	0	0	109.1	N659 Q669 Y685	N659-Y683 PolarHBondContact ND2-O 3.38Å; N659-Y683 PolarHBondContact OD1-O 2.85Å; Q669-Y683 PolarHBondContact O-N 3.25Å; Y683-Y685 AromaticContact CD1-CD1 3.77Å; Y683-Y685 HydrophobicContact CD1-CD1 3.77Å; Y683-Y685 AromaticContact CD1-CD2 3.76Å; Y683-Y685 HydrophobicContact CD1-CD2 3.76Å; Y683-Y685 AromaticContact CD1-CE1 3.67Å; Y683-Y685 HydrophobicContact CD1-CE1 3.67Å; Y683-Y685 AromaticContact CD1-CE2 3.67Å; Y683-Y685 HydrophobicContact CD1-CE2 3.67Å; Y683-Y685 AromaticContact CD1-CG 3.8Å; Y683-Y685 HydrophobicContact CD1-CG 3.8Å; Y683-Y685 AromaticContact CD1-CZ 3.62Å; Y683-Y685 AromaticContact CE1-CD1 3.58Å; Y683-Y685 HydrophobicContact CE1-CD1 3.58Å; Y683-Y685 HydrophobicContact CE1-CD2 4.34Å; Y683-Y685 AromaticContact CE1-CE1 3.72Å; Y683-Y685 HydrophobicContact CE1-CE1 3.72Å; Y683-Y685 HydrophobicContact CE1-CE2 4.47Å; Y683-Y685 AromaticContact CE1-CG 3.91Å; Y683-Y685 HydrophobicContact CE1-CG 3.91Å
684	I	88.3	Confident	83.1	Confident	25 Å²	25	66.8 Å²	66.8	13%	0.128	35%	0.349	C	S	.	.			trans	-100.2	103.8	179.1	-53.7	-58.1	0	0	0	108.4	A658 N659 P682 D686 I691 W697	A658-I684 HydrophobicContact CB-CD1 4.17Å; A658-I684 HydrophobicContact CB-CG2 4.12Å; N659-I684 WeakPolarHBondContact OD1-CA 3.21Å; P682-I684 HydrophobicContact CG-CD1 3.97Å; I684-D686 VanDerWaalsContact C-N 3.33Å; I684-D686 VanDerWaalsContact CG2-O 3.28Å; I684-D686 WeakPolarHBondContact CG2-O 3.41Å; I684-I691 HydrophobicContact CG1-CD1 4.48Å; I684-W697 HydrophobicContact CD1-CH2 4.17Å; I684-W697 HydrophobicContact CD1-CZ3 3.8Å; I684-W697 HydrophobicContact CG1-CH2 4.39Å
685	Y	82.5	Confident	82.8	Confident	60 Å²	60	64.8 Å²	64.8	24%	0.235	34%	0.343	C	S	.	.			trans	-71.5	-31.1	-179.6	-67.4	-91.4	0	0	0	112.2	N659 A662 C665 E668 Y683 A687	N659-Y685 WeakPolarHBondContact OD1-CD2 3.5Å; N659-Y685 PolarHBondContact OD1-N 2.9Å; A662-Y685 HydrophobicContact CB-CD1 4.26Å; A662-Y685 HydrophobicContact CB-CG 4.01Å; C665-Y685 HydrophobicContact CB-CE1 4.21Å; C665-Y685 HydrophobicContact CB-CE2 4.23Å; E668-Y685 VanDerWaalsContact O-CE2 3.31Å; E668-Y685 WeakPolarHBondContact O-CE2 3.48Å; E668-Y685 PolarHBondContact O-OH 3.39Å; Y683-Y685 AromaticContact CD1-CD1 3.77Å; Y683-Y685 HydrophobicContact CD1-CD1 3.77Å; Y683-Y685 AromaticContact CD1-CD2 3.76Å; Y683-Y685 HydrophobicContact CD1-CD2 3.76Å; Y683-Y685 AromaticContact CD1-CE1 3.67Å; Y683-Y685 HydrophobicContact CD1-CE1 3.67Å; Y683-Y685 AromaticContact CD1-CE2 3.67Å; Y683-Y685 HydrophobicContact CD1-CE2 3.67Å; Y683-Y685 AromaticContact CD1-CG 3.8Å; Y683-Y685 HydrophobicContact CD1-CG 3.8Å; Y683-Y685 AromaticContact CD1-CZ 3.62Å; Y683-Y685 AromaticContact CE1-CD1 3.58Å; Y683-Y685 HydrophobicContact CE1-CD1 3.58Å; Y683-Y685 HydrophobicContact CE1-CD2 4.34Å; Y683-Y685 AromaticContact CE1-CE1 3.72Å; Y683-Y685 HydrophobicContact CE1-CE1 3.72Å; Y683-Y685 HydrophobicContact CE1-CE2 4.47Å; Y683-Y685 AromaticContact CE1-CG 3.91Å; Y683-Y685 HydrophobicContact CE1-CG 3.91Å; Y685-A687 PolarHBondContact O-N 3.48Å
686	D	72	Confident	82.8	Confident	28 Å²	28	65 Å²	65	15%	0.15	34%	0.344	C	S	.	.	S	Bend	trans	-77.8	101	175.5	-65	-23.9	0	0	0	108.5	N659 R660 I684 S688	N659-D686 PolarHBondContact N-OD2 3.45Å; N659-D686 VanDerWaalsContact N-OD2 3.11Å; R660-D686 IonicContact CZ-OD2 3.21Å; R660-D686 PolarHBondContact N-OD2 2.93Å; R660-D686 IonicContact NE-OD2 2.76Å; R660-D686 PolarHBondContact NE-OD2 3.35Å; R660-D686 IonicContact NH2-OD2 3.59Å; I684-D686 VanDerWaalsContact C-N 3.33Å; I684-D686 VanDerWaalsContact CG2-O 3.28Å; I684-D686 WeakPolarHBondContact CG2-O 3.41Å; D686-S688 PolarHBondContact O-N 2.92Å
687	A	57.9	Low	82.9	Confident	112 Å²	112	63.3 Å²	63.3	93%	0.926	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	17.6	-173.5	0	0	0	0	0	116.6	Y685	Y685-A687 PolarHBondContact O-N 3.48Å
688	S	59.1	Low	83.3	Confident	76 Å²	76	60.4 Å²	60.4	53%	0.531	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-6	-173.4	57.8	0	0	0	0	114.9	D686	D686-S688 PolarHBondContact O-N 2.92Å
689	H	65.5	Low	83.7	Confident	53 Å²	53	55.8 Å²	55.8	25%	0.245	30%	0.295	C	S	.	.			trans	-132.8	119.4	-172.9	-56.1	113.3	0	0	0	112.6	F630 L657 W697	F630-H689 AromaticContact CE1-CD2 3.57Å; L657-H689 PolarHBondContact O-CE1 3.33Å; H689-W697 HydrophobicContact CB-CH2 4.27Å
690	E	70.8	Confident	84.1	Confident	165 Å²	165	52.5 Å²	52.5	77%	0.771	28%	0.28	S	S	*	.			trans	-85.1	137.1	164.1	-69.4	-176.6	169.7	0	0	109.5	L692	E690-L692 PolarHBondContact O-N 3.38Å; E690-L692 VanDerWaalsContact O-N 3.14Å
691	I	77.5	Confident	84.3	Confident	48 Å²	48	46.9 Å²	46.9	25%	0.246	26%	0.256	C	S	.	.			trans	-79.6	100.2	176.5	-53.7	-179.1	0	0	0	108.2	V681 I684 W697 I712	V681-I691 HydrophobicContact CB-CD1 3.58Å; V681-I691 HydrophobicContact CG1-CD1 3.84Å; V681-I691 HydrophobicContact CG1-CG2 4.33Å; V681-I691 HydrophobicContact CG2-CD1 3.95Å; I684-I691 HydrophobicContact CG1-CD1 4.48Å; I691-W697 HydrophobicContact CB-CZ2 4.45Å; I691-W697 HydrophobicContact CG1-CH2 4.35Å; I691-W697 HydrophobicContact CG1-CZ2 3.94Å; I691-W697 HydrophobicContact CG2-CZ2 4.49Å; I691-I712 HydrophobicContact CB-CD1 4.36Å; I691-I712 HydrophobicContact CG2-CD1 3.52Å; I691-I712 HydrophobicContact CG2-CG1 4.01Å
692	L	82.5	Confident	84.4	Confident	93 Å²	93	44.6 Å²	44.6	49%	0.487	24%	0.242	S	C	.	.			trans	-84.7	147.1	179.7	-61.2	174.7	0	0	0	111.7	E690 V695	E690-L692 PolarHBondContact O-N 3.38Å; E690-L692 VanDerWaalsContact O-N 3.14Å; L692-V695 HydrophobicContact CB-CG2 3.8Å
693	P	85.6	Confident	84.5	Confident	56 Å²	56	44.3 Å²	44.3	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	147.4	173.1	-24.6	34.4	0	0	0	113.1	V695 I712	P693-V695 PolarHBondContact O-N 2.9Å; P693-V695 VanDerWaalsContact O-N 3.1Å; P693-I712 CarbonylContact C-O 3.54Å; P693-I712 WeakPolarHBondContact CA-O 3.34Å
694	N	86	Confident	84.8	Confident	64 Å²	64	38.1 Å²	38.1	34%	0.342	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	15.8	177.7	-61.4	-49.5	0	0	0	115.7	I712 D714	N694-I712 PolarHBondContact N-O 3.28Å; N694-D714 PolarHBondContact ND2-OD1 3.08Å; N694-D714 PolarHBondContact ND2-OD2 3.01Å
695	V	89.5	Confident	85.2	Confident	14 Å²	14	37.1 Å²	37.1	9%	0.085	21%	0.211	C	C	.	.			trans	-87.9	140.7	174	176	0	0	0	0	110.7	F630 L692 P693 Y711	F630-V695 HydrophobicContact CD2-CG1 3.35Å; F630-V695 HydrophobicContact CE2-CG1 3.51Å; F630-V695 HydrophobicContact CG-CG1 4.47Å; L692-V695 HydrophobicContact CB-CG2 3.8Å; P693-V695 PolarHBondContact O-N 2.9Å; P693-V695 VanDerWaalsContact O-N 3.1Å; V695-Y711 VanDerWaalsContact O-CB 3.26Å; V695-Y711 WeakPolarHBondContact O-CB 3.39Å
696	R	93.7	Very high	85.8	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.015	21%	0.205	C	C	.	.			trans	-77.3	123.2	177	-57.9	-159	-57.9	-74.2	-3.2	111.1	Y625 D626 R628 F630 E838 I848	Y625-R696 PolarHBondContact OH-NH2 2.88Å; D626-R696 PolarHBondContact O-NH1 2.97Å; D626-R696 PolarHBondContact O-NH2 3.22Å; R628-R696 PolarHBondContact O-NH2 3.07Å; F630-R696 PolarHBondContact N-O 3.49Å; R696-E838 IonicContact CZ-OE1 2.78Å; R696-E838 IonicContact CZ-OE2 2.74Å; R696-E838 IonicContact NE-OE1 2.76Å; R696-E838 PolarHBondContact NE-OE1 3.34Å; R696-E838 IonicContact NE-OE2 3.82Å; R696-E838 IonicContact NH2-OE1 3.84Å; R696-E838 IonicContact NH2-OE2 3.51Å; R696-E838 PolarHBondContact NH2-OE2 2.87Å; R696-I848 HydrophobicContact CB-CD1 4.14Å; R696-I848 HydrophobicContact CG-CB 3.8Å; R696-I848 HydrophobicContact CG-CD1 3.87Å; R696-I848 HydrophobicContact CG-CG1 4.41Å; R696-I848 HydrophobicContact CG-CG2 4.08Å
697	W	95.6	Very high	87.1	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.2	171.1	-74.1	77.2	0	0	0	111	F630 A658 I684 H689 I691 F709 Y710	F630-W697 HydrophobicContact CB-CD2 3.48Å; F630-W697 VanDerWaalsContact CB-CD2 3.48Å; F630-W697 HydrophobicContact CB-CE3 3.53Å; F630-W697 HydrophobicContact CB-CG 4.1Å; F630-W697 HydrophobicContact CB-CH2 3.84Å; F630-W697 HydrophobicContact CB-CZ2 3.78Å; F630-W697 HydrophobicContact CB-CZ3 3.72Å; F630-W697 HydrophobicContact CD1-CH2 4.04Å; F630-W697 AromaticContact CD1-CZ2 3.97Å; F630-W697 HydrophobicContact CD1-CZ2 3.97Å; F630-W697 HydrophobicContact CG-CD2 4.35Å; F630-W697 AromaticContact CG-CE2 3.96Å; F630-W697 HydrophobicContact CG-CH2 4.17Å; F630-W697 AromaticContact CG-CZ2 3.87Å; F630-W697 HydrophobicContact CG-CZ2 3.87Å; F630-W697 CarbonylContact O-C 3.49Å; F630-W697 VanDerWaalsContact O-CA 3.31Å; F630-W697 WeakPolarHBondContact O-CA 3.49Å; A658-W697 HydrophobicContact CB-CZ3 4.27Å; I684-W697 HydrophobicContact CD1-CH2 4.17Å; I684-W697 HydrophobicContact CD1-CZ3 3.8Å; I684-W697 HydrophobicContact CG1-CH2 4.39Å; H689-W697 HydrophobicContact CB-CH2 4.27Å; I691-W697 HydrophobicContact CB-CZ2 4.45Å; I691-W697 HydrophobicContact CG1-CH2 4.35Å; I691-W697 HydrophobicContact CG1-CZ2 3.94Å; I691-W697 HydrophobicContact CG2-CZ2 4.49Å; W697-F709 CarbonylContact O-C 3.59Å; W697-F709 VanDerWaalsContact O-CA 3.24Å; W697-F709 WeakPolarHBondContact O-CA 3.37Å; W697-Y710 HydrophobicContact CB-CD1 4.22Å; W697-Y710 HydrophobicContact CB-CD2 3.57Å; W697-Y710 HydrophobicContact CB-CE1 3.9Å; W697-Y710 HydrophobicContact CB-CE2 3.21Å; W697-Y710 HydrophobicContact CB-CG 4.07Å; W697-Y710 HydrophobicContact CD2-CE2 4.15Å; W697-Y710 HydrophobicContact CE3-CE2 4.39Å; W697-Y710 HydrophobicContact CG-CD2 4.23Å; W697-Y710 AromaticContact CG-CE2 3.67Å; W697-Y710 HydrophobicContact CG-CE2 3.67Å; W697-Y710 PolarHBondContact N-O 3.45Å; W697-Y710 PolarHBondContact O-N 3.29Å
698	A	97.2	Very high	89	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.4	166.5	0	0	0	0	0	109.8	F630 V631 D632 I707 V708 F709 L834	F630-A698 PolarHBondContact O-N 3.27Å; V631-A698 CarbonylContact C-O 3.59Å; V631-A698 WeakPolarHBondContact CA-O 3.38Å; V631-A698 HydrophobicContact CG2-CB 4.43Å; D632-A698 PolarHBondContact N-O 2.87Å; A698-I707 HydrophobicContact CB-CD1 4.01Å; A698-I707 HydrophobicContact CB-CG1 4.2Å; A698-V708 CarbonylContact C-O 3.6Å; A698-V708 VanDerWaalsContact CA-O 3.27Å; A698-V708 WeakPolarHBondContact CA-O 3.2Å; A698-F709 HydrophobicContact CB-CD1 3.9Å; A698-F709 HydrophobicContact CB-CE1 3.82Å; A698-F709 HydrophobicContact CB-CG 4.31Å; A698-F709 HydrophobicContact CB-CZ 4.15Å; A698-L834 HydrophobicContact CB-CD1 4.28Å
699	S	97.5	Very high	90.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.6	169.7	-74.2	0	0	0	0	109.5	D632 A672 V675 I707 V708 Y710	D632-S699 WeakPolarHBondContact CB-OG 3.23Å; D632-S699 WeakPolarHBondContact O-CA 3.42Å; D632-S699 WeakPolarHBondContact OD2-CB 3.38Å; D632-S699 PolarHBondContact OD2-OG 3.31Å; A672-S699 WeakPolarHBondContact CB-O 3.17Å; V675-S699 WeakPolarHBondContact CG2-OG 2.92Å; S699-I707 WeakPolarHBondContact O-CA 3.37Å; S699-V708 PolarHBondContact N-O 3.32Å; S699-V708 PolarHBondContact O-N 3.05Å; S699-V708 VanDerWaalsContact O-N 3.13Å; S699-Y710 VanDerWaalsContact OG-CE1 3.27Å; S699-Y710 WeakPolarHBondContact OG-CE1 3.45Å; S699-Y710 PolarHBondContact OG-OH 3.08Å; S699-Y710 VanDerWaalsContact OG-OH 3.09Å
700	L	97.5	Very high	92.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	163.2	169.5	-53.9	179.9	0	0	0	109.8	V631 D632 A634 L642 G671 A672 A704 R706 I707 A830	V631-L700 HydrophobicContact CG1-CD1 4.1Å; V631-L700 HydrophobicContact CG1-CD2 4.46Å; V631-L700 HydrophobicContact CG1-CG 3.89Å; D632-L700 PolarHBondContact O-N 2.85Å; A634-L700 WeakPolarHBondContact CB-O 3.4Å; L642-L700 HydrophobicContact CD2-CD1 4.28Å; G671-L700 CarbonylContact C-O 3.59Å; G671-L700 WeakPolarHBondContact CA-O 3.48Å; A672-L700 PolarHBondContact N-O 2.79Å; L700-A704 HydrophobicContact CD1-CB 4.41Å; L700-R706 WeakPolarHBondContact CA-O 3.3Å; L700-I707 HydrophobicContact CD2-CB 4.3Å; L700-I707 HydrophobicContact CD2-CD1 4.04Å; L700-I707 HydrophobicContact CD2-CG1 4.21Å; L700-A830 HydrophobicContact CD2-CB 3.68Å
701	D	95.7	Very high	93.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.			trans	-94.8	174.9	162.4	76.7	-33	0	0	0	112.2	S467 A672 D703 A704 D705 R706	S467-D701 PolarHBondContact OG-OD2 3.47Å; A672-D701 HydrophobicContact CB-CB 4.27Å; D701-D703 VanDerWaalsContact C-N 3.27Å; D701-D703 PolarHBondContact O-N 3.39Å; D701-D703 VanDerWaalsContact O-N 3.13Å; D701-D703 VanDerWaalsContact OD2-OD1 3.08Å; D701-A704 PolarHBondContact O-N 2.92Å; D701-A704 WeakPolarHBondContact OD1-CA 2.94Å; D701-A704 PolarHBondContact OD1-N 3.49Å; D701-D705 PolarHBondContact OD1-N 3.43Å; D701-R706 HydrophobicContact CB-CB 4.15Å; D701-R706 PolarHBondContact N-O 3.3Å; D701-R706 PolarHBondContact OD1-N 2.89Å; D701-R706 WeakPolarHBondContact OD2-CD 3.38Å; D701-R706 IonicContact OD2-NE 3.21Å
702	G	93.8	Very high	94.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.6	-170.5	0	0	0	0	0	116.1	G636 V637 N667	G636-G702 WeakPolarHBondContact CA-O 3.12Å; V637-G702 PolarHBondContact N-O 3.01Å; V637-G702 VanDerWaalsContact N-O 3.15Å; N667-G702 WeakPolarHBondContact OD1-CA 3.08Å; N667-G702 PolarHBondContact OD1-N 3.08Å
703	D	95.5	Very high	94.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	9.4	176.7	68.4	-32.9	0	0	0	114.4	T465 S467 K477 T580 T581 D701 D705	T465-D703 HydrophobicContact CG2-CB 4.39Å; T465-D703 WeakPolarHBondContact OG1-CB 3.4Å; S467-D703 WeakPolarHBondContact CA-OD1 3.32Å; S467-D703 WeakPolarHBondContact CB-OD1 3.22Å; S467-D703 PolarHBondContact OG-OD1 3.45Å; K477-D703 IonicContact NZ-OD2 2.69Å; T580-D703 WeakPolarHBondContact CB-O 3.32Å; T581-D703 VanDerWaalsContact CB-OD2 3.27Å; T581-D703 WeakPolarHBondContact CB-OD2 3.31Å; T581-D703 PolarHBondContact N-O 2.86Å; T581-D703 PolarHBondContact OG1-OD2 3.22Å; D701-D703 VanDerWaalsContact C-N 3.27Å; D701-D703 PolarHBondContact O-N 3.39Å; D701-D703 VanDerWaalsContact O-N 3.13Å; D701-D703 VanDerWaalsContact OD2-OD1 3.08Å; D703-D705 PolarHBondContact O-N 3.31Å
704	A	96.5	Very high	95	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	55.1	42.5	176.9	0	0	0	0	0	114.3	T580 P582 L700 D701 A830	T580-A704 HydrophobicContact CG2-CB 3.89Å; P582-A704 WeakPolarHBondContact CG-O 2.88Å; L700-A704 HydrophobicContact CD1-CB 4.41Å; D701-A704 PolarHBondContact O-N 2.92Å; D701-A704 WeakPolarHBondContact OD1-CA 2.94Å; D701-A704 PolarHBondContact OD1-N 3.49Å; A704-A830 HydrophobicContact CB-CB 4.47Å; A704-A830 WeakPolarHBondContact O-CB 3.34Å; A704-A830 PolarHBondContact O-N 3.11Å
705	D	96.4	Very high	95.3	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.027	9%	0.091	C	C	.	.			trans	-102.3	-7.1	171.1	85	14.6	0	0	0	113.7	K477 T581 P582 D701 D703 H799	K477-D705 IonicContact NZ-OD2 2.97Å; T581-D705 HydrophobicContact CG2-CB 3.98Å; P582-D705 HydrophobicContact CG-CB 4.06Å; D701-D705 PolarHBondContact OD1-N 3.43Å; D703-D705 PolarHBondContact O-N 3.31Å; D705-H799 VanDerWaalsContact CG-CE1 3.46Å; D705-H799 IonicContact OD1-CE1 3.23Å; D705-H799 IonicContact OD1-ND1 2.74Å; D705-H799 PolarHBondContact OD1-ND1 2.76Å; D705-H799 VanDerWaalsContact OD1-ND1 3.15Å; D705-H799 IonicContact OD2-CE1 2.99Å; D705-H799 PolarHBondContact OD2-CE1 3.37Å; D705-H799 IonicContact OD2-ND1 3.85Å
706	R	97	Very high	95.2	Very high	27 Å²	27	23 Å²	23	10%	0.102	12%	0.12	C	C	.	.			trans	-125.5	145	174.2	-68.6	155.9	-156	-150.6	-3.9	112.2	H468 A672 L700 D701 H799 A830	H468-R706 PolarHBondContact ND1-NH1 3.27Å; A672-R706 HydrophobicContact CB-CB 4.09Å; L700-R706 WeakPolarHBondContact CA-O 3.3Å; D701-R706 HydrophobicContact CB-CB 4.15Å; D701-R706 PolarHBondContact N-O 3.3Å; D701-R706 PolarHBondContact OD1-N 2.89Å; D701-R706 WeakPolarHBondContact OD2-CD 3.38Å; D701-R706 IonicContact OD2-NE 3.21Å; R706-H799 HydrophobicContact CG-CB 3.79Å; R706-A830 WeakPolarHBondContact O-CB 3.21Å
707	I	98.1	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.1	168.9	-172.5	164.2	0	0	0	111.5	A698 S699 L700 F709 I726 G798 A830 D833 L834	A698-I707 HydrophobicContact CB-CD1 4.01Å; A698-I707 HydrophobicContact CB-CG1 4.2Å; S699-I707 WeakPolarHBondContact O-CA 3.37Å; L700-I707 HydrophobicContact CD2-CB 4.3Å; L700-I707 HydrophobicContact CD2-CD1 4.04Å; L700-I707 HydrophobicContact CD2-CG1 4.21Å; I707-F709 HydrophobicContact CD1-CD2 4.4Å; I707-F709 HydrophobicContact CD1-CE2 3.55Å; I707-F709 HydrophobicContact CD1-CZ 3.79Å; I707-F709 HydrophobicContact CG1-CD2 4.18Å; I707-F709 HydrophobicContact CG1-CE2 3.77Å; I707-F709 HydrophobicContact CG1-CZ 4.43Å; I707-I726 HydrophobicContact CG2-CD1 3.87Å; I707-G798 PolarHBondContact N-O 2.91Å; I707-G798 WeakPolarHBondContact O-CA 3.41Å; I707-A830 HydrophobicContact CB-CB 3.97Å; I707-A830 HydrophobicContact CG2-CB 4.43Å; I707-D833 HydrophobicContact CG2-CB 3.69Å; I707-L834 HydrophobicContact CD1-CB 3.64Å; I707-L834 HydrophobicContact CD1-CD1 4.14Å; I707-L834 HydrophobicContact CD1-CG 4.41Å
708	V	97.9	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.1	167.1	-62.9	0	0	0	0	109.4	A672 V675 K676 A698 S699 D722	A672-V708 HydrophobicContact CB-CG1 4.45Å; A672-V708 HydrophobicContact CB-CG2 3.99Å; V675-V708 HydrophobicContact CB-CG2 4.12Å; V675-V708 HydrophobicContact CG1-CG2 4.06Å; K676-V708 HydrophobicContact CB-CG1 4.5Å; A698-V708 CarbonylContact C-O 3.6Å; A698-V708 VanDerWaalsContact CA-O 3.27Å; A698-V708 WeakPolarHBondContact CA-O 3.2Å; S699-V708 PolarHBondContact N-O 3.32Å; S699-V708 PolarHBondContact O-N 3.05Å; S699-V708 VanDerWaalsContact O-N 3.13Å; V708-D722 HydrophobicContact CG1-CB 4.45Å
709	F	97.9	Very high	94.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	157.2	176.6	-73.9	-102	0	0	0	110.7	W697 A698 I707 L721 I726 L834 V837 W851	W697-F709 CarbonylContact O-C 3.59Å; W697-F709 VanDerWaalsContact O-CA 3.24Å; W697-F709 WeakPolarHBondContact O-CA 3.37Å; A698-F709 HydrophobicContact CB-CD1 3.9Å; A698-F709 HydrophobicContact CB-CE1 3.82Å; A698-F709 HydrophobicContact CB-CG 4.31Å; A698-F709 HydrophobicContact CB-CZ 4.15Å; I707-F709 HydrophobicContact CD1-CD2 4.4Å; I707-F709 HydrophobicContact CD1-CE2 3.55Å; I707-F709 HydrophobicContact CD1-CZ 3.79Å; I707-F709 HydrophobicContact CG1-CD2 4.18Å; I707-F709 HydrophobicContact CG1-CE2 3.77Å; I707-F709 HydrophobicContact CG1-CZ 4.43Å; F709-L721 HydrophobicContact CB-CB 3.87Å; F709-L721 PolarHBondContact N-O 2.95Å; F709-L721 CarbonylContact O-C 3.56Å; F709-L721 WeakPolarHBondContact O-CA 3.33Å; F709-L721 PolarHBondContact O-N 3.44Å; F709-I726 HydrophobicContact CD2-CD1 4.16Å; F709-I726 HydrophobicContact CD2-CG1 4.39Å; F709-I726 HydrophobicContact CE2-CD1 4.34Å; F709-L834 HydrophobicContact CE1-CD1 3.93Å; F709-L834 HydrophobicContact CZ-CD1 3.68Å; F709-V837 HydrophobicContact CE1-CG1 3.98Å; F709-V837 HydrophobicContact CE2-CB 4.1Å; F709-V837 HydrophobicContact CE2-CG1 4.05Å; F709-V837 HydrophobicContact CE2-CG2 3.91Å; F709-V837 HydrophobicContact CZ-CB 3.81Å; F709-V837 HydrophobicContact CZ-CG1 3.67Å; F709-V837 HydrophobicContact CZ-CG2 4.15Å; F709-W851 HydrophobicContact CB-CH2 3.8Å; F709-W851 HydrophobicContact CB-CZ3 3.85Å; F709-W851 HydrophobicContact CD1-CH2 4.4Å; F709-W851 HydrophobicContact CD1-CZ3 4.04Å; F709-W851 AromaticContact CD2-CH2 3.67Å; F709-W851 HydrophobicContact CD2-CH2 3.67Å; F709-W851 HydrophobicContact CD2-CZ3 4.15Å; F709-W851 HydrophobicContact CE2-CH2 4.31Å; F709-W851 AromaticContact CG-CH2 3.71Å; F709-W851 HydrophobicContact CG-CH2 3.71Å; F709-W851 AromaticContact CG-CZ3 3.76Å; F709-W851 HydrophobicContact CG-CZ3 3.76Å
710	Y	96.6	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	166.5	176.5	53.2	-82.2	0	0	0	111.5	V675 P682 W697 S699 F718 H719	V675-Y710 HydrophobicContact CG1-CD1 3.59Å; V675-Y710 HydrophobicContact CG1-CE1 3.84Å; V675-Y710 HydrophobicContact CG1-CG 4.16Å; V675-Y710 HydrophobicContact CG2-CE1 4.14Å; P682-Y710 VanDerWaalsContact CD-OH 3.28Å; P682-Y710 WeakPolarHBondContact CD-OH 3.35Å; P682-Y710 WeakPolarHBondContact CG-OH 3.25Å; W697-Y710 HydrophobicContact CB-CD1 4.22Å; W697-Y710 HydrophobicContact CB-CD2 3.57Å; W697-Y710 HydrophobicContact CB-CE1 3.9Å; W697-Y710 HydrophobicContact CB-CE2 3.21Å; W697-Y710 HydrophobicContact CB-CG 4.07Å; W697-Y710 HydrophobicContact CD2-CE2 4.15Å; W697-Y710 HydrophobicContact CE3-CE2 4.39Å; W697-Y710 HydrophobicContact CG-CD2 4.23Å; W697-Y710 AromaticContact CG-CE2 3.67Å; W697-Y710 HydrophobicContact CG-CE2 3.67Å; W697-Y710 PolarHBondContact N-O 3.45Å; W697-Y710 PolarHBondContact O-N 3.29Å; S699-Y710 VanDerWaalsContact OG-CE1 3.27Å; S699-Y710 WeakPolarHBondContact OG-CE1 3.45Å; S699-Y710 PolarHBondContact OG-OH 3.08Å; S699-Y710 VanDerWaalsContact OG-OH 3.09Å; Y710-F718 HydrophobicContact CD2-CD2 4.39Å; Y710-F718 AromaticContact CD2-CE2 3.54Å; Y710-F718 HydrophobicContact CD2-CE2 3.54Å; Y710-F718 HydrophobicContact CD2-CZ 4.33Å; Y710-F718 HydrophobicContact CE2-CE2 4.42Å; Y710-F718 AromaticContact CG-CE2 3.64Å; Y710-F718 HydrophobicContact CG-CE2 3.64Å; Y710-F718 AromaticContact CG-CZ 3.97Å; Y710-F718 HydrophobicContact CG-CZ 3.97Å; Y710-H719 WeakPolarHBondContact CA-O 3.41Å; Y710-H719 WeakPolarHBondContact CB-O 3.18Å
711	Y	95.4	Very high	94.9	Very high	14 Å²	14	33.3 Å²	33.3	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	164.6	167.3	67.7	-72.8	0	0	0	109.8	V695 D713 H719 L721 I848 D852	V695-Y711 VanDerWaalsContact O-CB 3.26Å; V695-Y711 WeakPolarHBondContact O-CB 3.39Å; Y711-D713 HydrophobicContact CE2-CB 4.17Å; Y711-H719 HydrophobicContact CD1-CB 3.8Å; Y711-H719 HydrophobicContact CE1-CB 3.32Å; Y711-H719 AromaticContact CE1-CG 3.88Å; Y711-H719 HydrophobicContact CE2-CB 4.33Å; Y711-H719 AromaticContact CE2-CD2 3.71Å; Y711-H719 HydrophobicContact CG-CB 4.46Å; Y711-H719 AromaticContact CZ-CD2 3.64Å; Y711-H719 AromaticContact CZ-CG 3.6Å; Y711-H719 PolarHBondContact N-O 3.36Å; Y711-H719 PolarHBondContact O-N 3.42Å; Y711-L721 HydrophobicContact CD1-CD1 3.76Å; Y711-L721 HydrophobicContact CE1-CD1 3.89Å; Y711-I848 HydrophobicContact CD1-CB 4.45Å; Y711-I848 HydrophobicContact CD1-CD1 3.78Å; Y711-I848 HydrophobicContact CD1-CG1 3.72Å; Y711-I848 HydrophobicContact CD1-CG2 3.93Å; Y711-I848 HydrophobicContact CD2-CG2 4.27Å; Y711-I848 HydrophobicContact CE1-CG1 4.2Å; Y711-I848 HydrophobicContact CE1-CG2 4.4Å; Y711-I848 HydrophobicContact CG-CD1 4.28Å; Y711-I848 HydrophobicContact CG-CG1 4.42Å; Y711-I848 HydrophobicContact CG-CG2 3.88Å; Y711-D852 HydrophobicContact CE1-CB 4.08Å; Y711-D852 PolarHBondContact OH-OD2 2.59Å
712	I	93.9	Very high	94.9	Very high	22 Å²	22	33.4 Å²	33.4	11%	0.113	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.9	166.4	-53.6	-174.5	0	0	0	107.3	V681 I691 P693 N694 N716 K717	V681-I712 HydrophobicContact CG1-CD1 3.76Å; V681-I712 HydrophobicContact CG1-CG1 3.93Å; I691-I712 HydrophobicContact CB-CD1 4.36Å; I691-I712 HydrophobicContact CG2-CD1 3.52Å; I691-I712 HydrophobicContact CG2-CG1 4.01Å; P693-I712 CarbonylContact C-O 3.54Å; P693-I712 WeakPolarHBondContact CA-O 3.34Å; N694-I712 PolarHBondContact N-O 3.28Å; I712-N716 VanDerWaalsContact CG2-CA 3.4Å; I712-N716 HydrophobicContact CG2-CB 4.37Å; I712-K717 WeakPolarHBondContact CA-O 3.18Å
713	D	92.3	Very high	95.1	Very high	22 Å²	22	33.4 Å²	33.4	12%	0.118	17%	0.166	C	C	.	.			trans	-81.4	177.7	173	70.9	14.7	0	0	0	113	Y711 N715 N716 K717 H719	Y711-D713 HydrophobicContact CE2-CB 4.17Å; D713-N715 PolarHBondContact O-N 3.21Å; D713-N715 VanDerWaalsContact O-N 3.07Å; D713-N715 VanDerWaalsContact OD1-CA 3.3Å; D713-N715 WeakPolarHBondContact OD1-CA 3.23Å; D713-N715 WeakPolarHBondContact OD1-CB 3.48Å; D713-N715 PolarHBondContact OD1-N 2.8Å; D713-N716 PolarHBondContact O-N 2.92Å; D713-N716 PolarHBondContact OD1-N 3.03Å; D713-K717 PolarHBondContact N-O 3.17Å; D713-K717 VanDerWaalsContact OD1-CB 3.31Å; D713-K717 WeakPolarHBondContact OD1-CB 3.36Å; D713-K717 PolarHBondContact OD1-N 2.8Å; D713-K717 WeakPolarHBondContact OD2-CB 3.18Å; D713-H719 IonicContact OD2-CD2 3.26Å; D713-H719 IonicContact OD2-CE1 3.43Å; D713-H719 IonicContact OD2-NE2 2.74Å; D713-H719 PolarHBondContact OD2-NE2 2.79Å
714	D	91.3	Very high	95.1	Very high	119 Å²	119	33.5 Å²	33.5	64%	0.636	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.5	178.4	-61.5	-55.8	0	0	0	114.1	N694 N716	N694-D714 PolarHBondContact ND2-OD1 3.08Å; N694-D714 PolarHBondContact ND2-OD2 3.01Å; D714-N716 VanDerWaalsContact C-N 3.34Å
715	N	91.6	Very high	95.2	Very high	139 Å²	139	33.6 Å²	33.6	74%	0.743	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	13.2	176.5	-57.5	-59.1	0	0	0	112.5	D713 K717	D713-N715 PolarHBondContact O-N 3.21Å; D713-N715 VanDerWaalsContact O-N 3.07Å; D713-N715 VanDerWaalsContact OD1-CA 3.3Å; D713-N715 WeakPolarHBondContact OD1-CA 3.23Å; D713-N715 WeakPolarHBondContact OD1-CB 3.48Å; D713-N715 PolarHBondContact OD1-N 2.8Å; N715-K717 PolarHBondContact O-N 2.98Å
716	N	88.2	Confident	95.3	Very high	130 Å²	130	33.3 Å²	33.3	70%	0.695	17%	0.166	S	C	*	.	S	Bend	trans	59.7	23.4	-173.3	-69.9	-34.6	0	0	0	114.4	I712 D713 D714	I712-N716 VanDerWaalsContact CG2-CA 3.4Å; I712-N716 HydrophobicContact CG2-CB 4.37Å; D713-N716 PolarHBondContact O-N 2.92Å; D713-N716 PolarHBondContact OD1-N 3.03Å; D714-N716 VanDerWaalsContact C-N 3.34Å
717	K	92	Very high	95.3	Very high	128 Å²	128	32.1 Å²	32.1	56%	0.557	16%	0.161	S	C	*	.			trans	-87	129.3	175.7	-175	-175.7	173.1	-173.2	0	109.8	I712 D713 N715 H719	I712-K717 WeakPolarHBondContact CA-O 3.18Å; D713-K717 PolarHBondContact N-O 3.17Å; D713-K717 VanDerWaalsContact OD1-CB 3.31Å; D713-K717 WeakPolarHBondContact OD1-CB 3.36Å; D713-K717 PolarHBondContact OD1-N 2.8Å; D713-K717 WeakPolarHBondContact OD2-CB 3.18Å; N715-K717 PolarHBondContact O-N 2.98Å; K717-H719 PolarHBondContact O-CD2 3.21Å
718	F	93.5	Very high	95.3	Very high	42 Å²	42	32.1 Å²	32.1	18%	0.184	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.3	174.1	178.1	-95.9	0	0	0	111	V675 K679 V681 Y710 L720	V675-F718 HydrophobicContact CG1-CE2 4.32Å; V675-F718 HydrophobicContact CG1-CZ 3.68Å; K679-F718 VanDerWaalsContact C-CD1 3.47Å; K679-F718 HydrophobicContact CB-CE1 4.36Å; K679-F718 WeakPolarHBondContact O-CD1 3.38Å; V681-F718 HydrophobicContact CG1-CD2 3.94Å; V681-F718 HydrophobicContact CG1-CE2 4.24Å; Y710-F718 HydrophobicContact CD2-CD2 4.39Å; Y710-F718 AromaticContact CD2-CE2 3.54Å; Y710-F718 HydrophobicContact CD2-CE2 3.54Å; Y710-F718 HydrophobicContact CD2-CZ 4.33Å; Y710-F718 HydrophobicContact CE2-CE2 4.42Å; Y710-F718 AromaticContact CG-CE2 3.64Å; Y710-F718 HydrophobicContact CG-CE2 3.64Å; Y710-F718 AromaticContact CG-CZ 3.97Å; Y710-F718 HydrophobicContact CG-CZ 3.97Å; F718-L720 HydrophobicContact CE1-CB 3.84Å; F718-L720 HydrophobicContact CE1-CD1 4.24Å; F718-L720 HydrophobicContact CZ-CB 4.45Å; F718-L720 HydrophobicContact CZ-CD1 4.17Å
719	H	95.3	Very high	95.3	Very high	31 Å²	31	32.1 Å²	32.1	14%	0.144	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.2	175.8	-64.5	-91.8	0	0	0	109.5	Y710 Y711 D713 K717 D852	Y710-H719 WeakPolarHBondContact CA-O 3.41Å; Y710-H719 WeakPolarHBondContact CB-O 3.18Å; Y711-H719 HydrophobicContact CD1-CB 3.8Å; Y711-H719 HydrophobicContact CE1-CB 3.32Å; Y711-H719 AromaticContact CE1-CG 3.88Å; Y711-H719 HydrophobicContact CE2-CB 4.33Å; Y711-H719 AromaticContact CE2-CD2 3.71Å; Y711-H719 HydrophobicContact CG-CB 4.46Å; Y711-H719 AromaticContact CZ-CD2 3.64Å; Y711-H719 AromaticContact CZ-CG 3.6Å; Y711-H719 PolarHBondContact N-O 3.36Å; Y711-H719 PolarHBondContact O-N 3.42Å; D713-H719 IonicContact OD2-CD2 3.26Å; D713-H719 IonicContact OD2-CE1 3.43Å; D713-H719 IonicContact OD2-NE2 2.74Å; D713-H719 PolarHBondContact OD2-NE2 2.79Å; K717-H719 PolarHBondContact O-CD2 3.21Å; H719-D852 IonicContact CG-OD2 3.63Å; H719-D852 IonicContact ND1-OD2 2.78Å; H719-D852 PolarHBondContact ND1-OD2 2.79Å
720	L	95.8	Very high	95.1	Very high	21 Å²	21	32.1 Å²	32.1	11%	0.11	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.6	-178.6	-177.2	66.3	0	0	0	110.5	V675 K676 F718 D722	V675-L720 HydrophobicContact CG1-CD1 4.05Å; K676-L720 HydrophobicContact CD-CD2 3.72Å; F718-L720 HydrophobicContact CE1-CB 3.84Å; F718-L720 HydrophobicContact CE1-CD1 4.24Å; F718-L720 HydrophobicContact CZ-CB 4.45Å; F718-L720 HydrophobicContact CZ-CD1 4.17Å; L720-D722 HydrophobicContact CD2-CB 4.15Å; L720-D722 HydrophobicContact CG-CB 4.15Å
721	L	97.4	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	84.6	171.7	-63.2	90.2	0	0	0	108.7	F709 Y711 K725 I848 W851 D852	F709-L721 HydrophobicContact CB-CB 3.87Å; F709-L721 PolarHBondContact N-O 2.95Å; F709-L721 CarbonylContact O-C 3.56Å; F709-L721 WeakPolarHBondContact O-CA 3.33Å; F709-L721 PolarHBondContact O-N 3.44Å; Y711-L721 HydrophobicContact CD1-CD1 3.76Å; Y711-L721 HydrophobicContact CE1-CD1 3.89Å; L721-K725 HydrophobicContact CB-CB 4Å; L721-K725 HydrophobicContact CB-CG 4.37Å; L721-I848 HydrophobicContact CD1-CD1 4.08Å; L721-I848 HydrophobicContact CD1-CG1 4.06Å; L721-I848 HydrophobicContact CD2-CG1 3.95Å; L721-W851 HydrophobicContact CB-CH2 4.11Å; L721-W851 HydrophobicContact CB-CZ2 4.12Å; L721-W851 HydrophobicContact CB-CZ3 4.44Å; L721-W851 HydrophobicContact CD2-CB 4.33Å; L721-W851 HydrophobicContact CD2-CD2 3.29Å; L721-W851 HydrophobicContact CD2-CE3 3.42Å; L721-W851 VanDerWaalsContact CD2-CE3 3.42Å; L721-W851 HydrophobicContact CD2-CG 3.74Å; L721-W851 HydrophobicContact CD2-CH2 4.17Å; L721-W851 HydrophobicContact CD2-CZ2 4.07Å; L721-W851 HydrophobicContact CD2-CZ3 3.86Å; L721-D852 HydrophobicContact CD2-CB 4.17Å
722	D	96.7	Very high	95.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.166	C	C	.	.			trans	-83.5	-169	-175.2	72.8	8.1	0	0	0	113.2	K676 V708 L720 D724 K725 I726 P796	K676-D722 HydrophobicContact CD-CB 4.1Å; K676-D722 IonicContact NZ-OD2 3.82Å; K676-D722 PolarHBondContact NZ-OD2 3.26Å; V708-D722 HydrophobicContact CG1-CB 4.45Å; L720-D722 HydrophobicContact CD2-CB 4.15Å; L720-D722 HydrophobicContact CG-CB 4.15Å; D722-D724 PolarHBondContact O-N 2.87Å; D722-D724 WeakPolarHBondContact OD1-CB 2.89Å; D722-D724 PolarHBondContact OD1-N 3.47Å; D722-K725 WeakPolarHBondContact O-CA 3.34Å; D722-K725 WeakPolarHBondContact O-CB 3.42Å; D722-K725 PolarHBondContact O-N 3Å; D722-K725 PolarHBondContact OD1-N 2.8Å; D722-I726 PolarHBondContact O-N 3.22Å; D722-P796 WeakPolarHBondContact CB-O 3.33Å
723	G	97	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-31.6	-178.9	0	0	0	0	0	114.6	K725 I726 A727 F794 E795	G723-K725 VanDerWaalsContact C-N 3.32Å; G723-K725 PolarHBondContact O-N 3.46Å; G723-I726 PolarHBondContact O-N 2.76Å; G723-A727 WeakPolarHBondContact O-CB 3.14Å; G723-A727 PolarHBondContact O-N 2.88Å; G723-F794 WeakPolarHBondContact O-CB 3.4Å; G723-E795 WeakPolarHBondContact CA-O 3.49Å
724	D	97.2	Very high	95.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-68.6	-35	175.8	-76.1	-35.5	0	0	0	111.4	D722 A728 Q751 S755 N756 A759 Y855	D722-D724 PolarHBondContact O-N 2.87Å; D722-D724 WeakPolarHBondContact OD1-CB 2.89Å; D722-D724 PolarHBondContact OD1-N 3.47Å; D724-A728 WeakPolarHBondContact O-CB 3.5Å; D724-A728 PolarHBondContact O-N 3.42Å; D724-Q751 PolarHBondContact OD1-NE2 3.21Å; D724-S755 VanDerWaalsContact OD1-CB 3.3Å; D724-S755 WeakPolarHBondContact OD1-CB 3.43Å; D724-S755 PolarHBondContact OD1-OG 3.35Å; D724-S755 WeakPolarHBondContact OD2-CA 3.16Å; D724-S755 WeakPolarHBondContact OD2-CB 3.21Å; D724-N756 PolarHBondContact OD2-N 2.73Å; D724-A759 HydrophobicContact CB-CB 3.86Å; D724-Y855 VanDerWaalsContact C-OH 3.25Å; D724-Y855 WeakPolarHBondContact CB-OH 3.39Å; D724-Y855 PolarHBondContact O-OH 3.47Å
725	K	97.8	Very high	95.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-69.5	-37.8	175.1	-72.1	-90.2	-179.6	156	0	111.2	L721 D722 G723 A728 L729 W851 D852 Y855	L721-K725 HydrophobicContact CB-CB 4Å; L721-K725 HydrophobicContact CB-CG 4.37Å; D722-K725 WeakPolarHBondContact O-CA 3.34Å; D722-K725 WeakPolarHBondContact O-CB 3.42Å; D722-K725 PolarHBondContact O-N 3Å; D722-K725 PolarHBondContact OD1-N 2.8Å; G723-K725 VanDerWaalsContact C-N 3.32Å; G723-K725 PolarHBondContact O-N 3.46Å; K725-A728 PolarHBondContact O-N 2.85Å; K725-L729 WeakPolarHBondContact O-CB 3.35Å; K725-L729 PolarHBondContact O-N 3.28Å; K725-W851 HydrophobicContact CB-CZ2 4.12Å; K725-W851 PolarHBondContact O-NE1 3.03Å; K725-D852 PolarHBondContact NZ-O 2.99Å; K725-D852 IonicContact NZ-OD1 3.11Å; K725-D852 PolarHBondContact NZ-OD1 3.2Å; K725-Y855 HydrophobicContact CD-CE1 4.06Å; K725-Y855 HydrophobicContact CD-CE2 4.37Å; K725-Y855 PolarHBondContact N-OH 2.78Å; K725-Y855 PolarHBondContact NZ-O 2.77Å
726	I	97.8	Very high	95	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-50	173.5	-60.2	171.4	0	0	0	109.8	I707 F709 D722 G723 A728 L729 V730 F794 V837 W851	I707-I726 HydrophobicContact CG2-CD1 3.87Å; F709-I726 HydrophobicContact CD2-CD1 4.16Å; F709-I726 HydrophobicContact CD2-CG1 4.39Å; F709-I726 HydrophobicContact CE2-CD1 4.34Å; D722-I726 PolarHBondContact O-N 3.22Å; G723-I726 PolarHBondContact O-N 2.76Å; I726-A728 VanDerWaalsContact C-N 3.31Å; I726-A728 PolarHBondContact O-N 2.97Å; I726-L729 PolarHBondContact O-N 2.99Å; I726-L729 VanDerWaalsContact O-N 3.16Å; I726-V730 HydrophobicContact CG2-CG2 4.19Å; I726-V730 WeakPolarHBondContact O-CB 3.32Å; I726-V730 VanDerWaalsContact O-CG2 3.28Å; I726-V730 WeakPolarHBondContact O-CG2 3.29Å; I726-V730 PolarHBondContact O-N 2.74Å; I726-F794 HydrophobicContact CB-CD1 4.26Å; I726-F794 HydrophobicContact CB-CE1 4.3Å; I726-F794 HydrophobicContact CD1-CE1 4.48Å; I726-F794 HydrophobicContact CG2-CD1 4.09Å; I726-F794 HydrophobicContact CG2-CD2 4.38Å; I726-F794 HydrophobicContact CG2-CE1 3.65Å; I726-F794 HydrophobicContact CG2-CE2 3.97Å; I726-F794 HydrophobicContact CG2-CG 4.46Å; I726-F794 HydrophobicContact CG2-CZ 3.6Å; I726-V837 HydrophobicContact CG2-CG2 4.07Å; I726-W851 HydrophobicContact CG1-CH2 4.07Å; I726-W851 HydrophobicContact CG1-CZ2 3.89Å
727	A	97.6	Very high	95	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-56.8	-43	177.2	0	0	0	0	0	112.5	G723 V730 A731 V749 I792 F794	G723-A727 WeakPolarHBondContact O-CB 3.14Å; G723-A727 PolarHBondContact O-N 2.88Å; A727-V730 PolarHBondContact O-N 3.41Å; A727-A731 WeakPolarHBondContact O-CB 3.35Å; A727-A731 PolarHBondContact O-N 2.92Å; A727-V749 HydrophobicContact CB-CG1 4.08Å; A727-I792 HydrophobicContact CB-CG2 4.17Å; A727-F794 HydrophobicContact CB-CB 4.14Å; A727-F794 HydrophobicContact CB-CD2 4Å; A727-F794 HydrophobicContact CB-CG 4.4Å
728	A	97.8	Very high	94.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65	-39	177.5	0	0	0	0	0	113.4	D724 K725 I726 N732 Y762 L763 L854 Y855	D724-A728 WeakPolarHBondContact O-CB 3.5Å; D724-A728 PolarHBondContact O-N 3.42Å; K725-A728 PolarHBondContact O-N 2.85Å; I726-A728 VanDerWaalsContact C-N 3.31Å; I726-A728 PolarHBondContact O-N 2.97Å; A728-N732 VanDerWaalsContact O-CB 3.29Å; A728-N732 WeakPolarHBondContact O-CB 3.33Å; A728-N732 PolarHBondContact O-N 3.12Å; A728-Y762 HydrophobicContact CB-CD1 3.98Å; A728-Y762 HydrophobicContact CB-CE1 3.81Å; A728-L763 HydrophobicContact CB-CD2 4.44Å; A728-L854 HydrophobicContact CB-CD1 4.28Å; A728-Y855 HydrophobicContact CB-CD1 4.44Å; A728-Y855 HydrophobicContact CB-CE1 3.63Å
729	L	97.3	Very high	94.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-48.5	175.5	180	66.3	0	0	0	111.3	K725 I726 N732 Y733 V837 I840 L841 W846 W851	K725-L729 WeakPolarHBondContact O-CB 3.35Å; K725-L729 PolarHBondContact O-N 3.28Å; I726-L729 PolarHBondContact O-N 2.99Å; I726-L729 VanDerWaalsContact O-N 3.16Å; L729-N732 WeakPolarHBondContact O-CB 3.31Å; L729-N732 PolarHBondContact O-N 3.29Å; L729-Y733 PolarHBondContact O-N 3.3Å; L729-V837 HydrophobicContact CD2-CG1 4.01Å; L729-V837 HydrophobicContact CD2-CG2 4.34Å; L729-I840 HydrophobicContact CD1-CG2 3.78Å; L729-I840 HydrophobicContact CD2-CB 4.46Å; L729-I840 HydrophobicContact CD2-CG2 4.18Å; L729-I840 HydrophobicContact CG-CG2 3.79Å; L729-L841 HydrophobicContact CD1-CD2 4.41Å; L729-L841 HydrophobicContact CD2-CD2 4.27Å; L729-L841 HydrophobicContact CD2-CG 4.48Å; L729-W846 HydrophobicContact CD1-CE3 4Å; L729-W846 HydrophobicContact CD1-CZ3 3.93Å; L729-W851 HydrophobicContact CB-CZ2 4.47Å; L729-W851 HydrophobicContact CD1-CG 4.14Å; L729-W851 HydrophobicContact CD2-CD2 3.86Å; L729-W851 HydrophobicContact CD2-CE3 4.23Å; L729-W851 HydrophobicContact CD2-CG 4.25Å; L729-W851 HydrophobicContact CD2-CH2 4.44Å; L729-W851 HydrophobicContact CD2-CZ2 4.09Å
730	V	95.5	Very high	94.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-45.3	179.4	172.2	0	0	0	0	110.6	I726 A727 N732 Y733 F734 I792 V802 L836 I840	I726-V730 HydrophobicContact CG2-CG2 4.19Å; I726-V730 WeakPolarHBondContact O-CB 3.32Å; I726-V730 VanDerWaalsContact O-CG2 3.28Å; I726-V730 WeakPolarHBondContact O-CG2 3.29Å; I726-V730 PolarHBondContact O-N 2.74Å; A727-V730 PolarHBondContact O-N 3.41Å; V730-N732 PolarHBondContact O-N 2.82Å; V730-Y733 PolarHBondContact O-N 2.93Å; V730-F734 HydrophobicContact CG1-CD2 3.66Å; V730-F734 HydrophobicContact CG1-CE2 3.77Å; V730-F734 WeakPolarHBondContact O-CD2 3.32Å; V730-F734 PolarHBondContact O-N 2.91Å; V730-I792 HydrophobicContact CB-CG2 4.42Å; V730-I792 HydrophobicContact CG1-CD1 3.86Å; V730-I792 HydrophobicContact CG1-CG1 3.95Å; V730-I792 HydrophobicContact CG1-CG2 4.08Å; V730-V802 HydrophobicContact CG1-CG2 3.48Å; V730-V802 VanDerWaalsContact CG1-CG2 3.48Å; V730-L836 HydrophobicContact CG2-CD2 3.95Å; V730-L836 HydrophobicContact CG2-CG 4.49Å; V730-I840 HydrophobicContact CB-CD1 4.48Å; V730-I840 HydrophobicContact CG2-CD1 3.87Å
731	A	96.5	Very high	93.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-41.9	175.9	0	0	0	0	0	112	A727 Y733 K735 V749 L763 L767 I792	A727-A731 WeakPolarHBondContact O-CB 3.35Å; A727-A731 PolarHBondContact O-N 2.92Å; A731-Y733 VanDerWaalsContact C-N 3.29Å; A731-Y733 PolarHBondContact O-N 3.47Å; A731-K735 WeakPolarHBondContact O-CB 3.39Å; A731-K735 PolarHBondContact O-N 3.1Å; A731-V749 HydrophobicContact CB-CG2 3.82Å; A731-L763 HydrophobicContact CB-CD2 4.01Å; A731-L767 HydrophobicContact CB-CD1 4.05Å; A731-I792 HydrophobicContact CB-CD1 3.81Å
732	N	95.9	Very high	93	Very high	27 Å²	27	33.5 Å²	33.5	14%	0.144	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-39.1	174.6	-178.6	-78.9	0	0	0	112	A728 L729 V730 G736 Y762 L767 K844	A728-N732 VanDerWaalsContact O-CB 3.29Å; A728-N732 WeakPolarHBondContact O-CB 3.33Å; A728-N732 PolarHBondContact O-N 3.12Å; L729-N732 WeakPolarHBondContact O-CB 3.31Å; L729-N732 PolarHBondContact O-N 3.29Å; V730-N732 PolarHBondContact O-N 2.82Å; N732-G736 PolarHBondContact O-N 2.69Å; N732-Y762 PolarHBondContact ND2-OH 3.3Å; N732-L767 HydrophobicContact CB-CD1 4.13Å; N732-L767 HydrophobicContact CB-CD2 4.27Å; N732-K844 PolarHBondContact O-NZ 3.29Å; N732-K844 PolarHBondContact OD1-NZ 3.36Å
733	Y	93.1	Very high	92.5	Very high	34 Å²	34	35.4 Å²	35.4	13%	0.133	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-56.1	179.6	-176.9	-103.8	0	0	0	112	L729 V730 A731 K735 G736 L737 I840 N843 K844	L729-Y733 PolarHBondContact O-N 3.3Å; V730-Y733 PolarHBondContact O-N 2.93Å; A731-Y733 VanDerWaalsContact C-N 3.29Å; A731-Y733 PolarHBondContact O-N 3.47Å; Y733-K735 PolarHBondContact O-N 3.45Å; Y733-G736 PolarHBondContact O-N 2.9Å; Y733-L737 HydrophobicContact CD1-CD1 3.94Å; Y733-L737 HydrophobicContact CE1-CD1 3.41Å; Y733-L737 VanDerWaalsContact CE1-CD1 3.41Å; Y733-L737 HydrophobicContact CE1-CG 4.27Å; Y733-L737 PolarHBondContact O-N 3.41Å; Y733-L737 VanDerWaalsContact O-N 3.09Å; Y733-I840 HydrophobicContact CD1-CD1 4.26Å; Y733-I840 HydrophobicContact CD1-CG1 3.89Å; Y733-I840 HydrophobicContact CD2-CB 4.34Å; Y733-I840 HydrophobicContact CD2-CG1 4.07Å; Y733-I840 HydrophobicContact CD2-CG2 3.8Å; Y733-I840 HydrophobicContact CE1-CG1 4.32Å; Y733-I840 HydrophobicContact CG-CB 4.41Å; Y733-I840 HydrophobicContact CG-CD1 4.18Å; Y733-I840 HydrophobicContact CG-CG1 3.74Å; Y733-I840 HydrophobicContact CG-CG2 3.96Å; Y733-N843 HydrophobicContact CE2-CB 4.04Å; Y733-N843 PolarHBondContact OH-ND2 3.41Å; Y733-K844 HydrophobicContact CD2-CG 4.2Å
734	F	91	Very high	92.1	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-35.5	-178.3	-77.8	-65.3	0	0	0	113	V730 G736 L737 I738 M747 I790 V802 F804 M812 I823	V730-F734 HydrophobicContact CG1-CD2 3.66Å; V730-F734 HydrophobicContact CG1-CE2 3.77Å; V730-F734 WeakPolarHBondContact O-CD2 3.32Å; V730-F734 PolarHBondContact O-N 2.91Å; F734-G736 VanDerWaalsContact C-N 3.33Å; F734-G736 PolarHBondContact O-N 2.95Å; F734-L737 HydrophobicContact CD1-CD1 4.14Å; F734-L737 HydrophobicContact CE1-CD1 4.37Å; F734-L737 PolarHBondContact O-N 2.68Å; F734-I738 WeakPolarHBondContact O-CG1 3.35Å; F734-I738 PolarHBondContact O-N 3.35Å; F734-M747 HydrophobicContact CB-SD 3.66Å; F734-I790 HydrophobicContact CD1-CD1 4.45Å; F734-V802 HydrophobicContact CE2-CG1 4.3Å; F734-V802 HydrophobicContact CE2-CG2 4.44Å; F734-F804 HydrophobicContact CD1-CE1 4.45Å; F734-F804 AromaticContact CE1-CE1 3.94Å; F734-F804 HydrophobicContact CE1-CE1 3.94Å; F734-F804 AromaticContact CE1-CZ 3.95Å; F734-F804 HydrophobicContact CE1-CZ 3.95Å; F734-F804 HydrophobicContact CE2-CZ 4.11Å; F734-F804 HydrophobicContact CZ-CE1 4.04Å; F734-F804 AromaticContact CZ-CZ 3.58Å; F734-F804 HydrophobicContact CZ-CZ 3.58Å; F734-M812 HydrophobicContact CD1-CE 4.26Å; F734-M812 HydrophobicContact CE1-CE 3.66Å; F734-I823 HydrophobicContact CE2-CD1 4.43Å; F734-I823 HydrophobicContact CZ-CD1 4.14Å
735	K	92.4	Very high	91.8	Very high	37 Å²	37	42.2 Å²	42.2	16%	0.161	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-48.8	171.8	-175.6	172.3	172.6	-176.4	0	111.4	A731 Y733 L737 I738 E739 M747 L767 V769	A731-K735 WeakPolarHBondContact O-CB 3.39Å; A731-K735 PolarHBondContact O-N 3.1Å; Y733-K735 PolarHBondContact O-N 3.45Å; K735-L737 VanDerWaalsContact C-N 3.28Å; K735-L737 PolarHBondContact O-N 2.89Å; K735-I738 PolarHBondContact O-N 3.49Å; K735-E739 VanDerWaalsContact CE-CD 3.46Å; K735-E739 WeakPolarHBondContact CE-OE1 3.47Å; K735-E739 HydrophobicContact CG-CG 4.39Å; K735-E739 IonicContact NZ-OE1 2.77Å; K735-E739 PolarHBondContact NZ-OE1 3.19Å; K735-E739 WeakPolarHBondContact O-CG 3.23Å; K735-E739 PolarHBondContact O-N 3.47Å; K735-M747 HydrophobicContact CB-CE 3.62Å; K735-M747 HydrophobicContact CG-CE 4.33Å; K735-L767 HydrophobicContact CD-CB 4.44Å; K735-L767 HydrophobicContact CD-CD2 4.26Å; K735-L767 WeakPolarHBondContact CD-O 3.34Å; K735-L767 VanDerWaalsContact CE-O 3.31Å; K735-L767 WeakPolarHBondContact CE-O 3.15Å; K735-L767 PolarHBondContact NZ-O 2.95Å; K735-V769 HydrophobicContact CD-CG2 4.09Å
736	G	90.3	Very high	91.5	Very high	13 Å²	13	48.4 Å²	48.4	13%	0.134	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-38.5	178.2	0	0	0	0	0	112.6	N732 Y733 F734 Q740	N732-G736 PolarHBondContact O-N 2.69Å; Y733-G736 PolarHBondContact O-N 2.9Å; F734-G736 VanDerWaalsContact C-N 3.33Å; F734-G736 PolarHBondContact O-N 2.95Å; G736-Q740 VanDerWaalsContact O-CB 3.3Å; G736-Q740 WeakPolarHBondContact O-CB 3.39Å; G736-Q740 WeakPolarHBondContact O-CG 3.25Å; G736-Q740 PolarHBondContact O-N 3.36Å
737	L	86.4	Confident	91.4	Very high	44 Å²	44	49.3 Å²	49.3	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-66	-46.3	175.4	-70.3	178.2	0	0	0	112.2	Y733 F734 K735 E739 Q740 T741	Y733-L737 HydrophobicContact CD1-CD1 3.94Å; Y733-L737 HydrophobicContact CE1-CD1 3.41Å; Y733-L737 VanDerWaalsContact CE1-CD1 3.41Å; Y733-L737 HydrophobicContact CE1-CG 4.27Å; Y733-L737 PolarHBondContact O-N 3.41Å; Y733-L737 VanDerWaalsContact O-N 3.09Å; F734-L737 HydrophobicContact CD1-CD1 4.14Å; F734-L737 HydrophobicContact CE1-CD1 4.37Å; F734-L737 PolarHBondContact O-N 2.68Å; K735-L737 VanDerWaalsContact C-N 3.28Å; K735-L737 PolarHBondContact O-N 2.89Å; L737-E739 VanDerWaalsContact C-N 3.32Å; L737-E739 PolarHBondContact O-N 2.91Å; L737-Q740 PolarHBondContact O-N 3.28Å; L737-T741 WeakPolarHBondContact O-CB 3.49Å; L737-T741 VanDerWaalsContact O-CG2 3.31Å; L737-T741 WeakPolarHBondContact O-CG2 3.38Å; L737-T741 PolarHBondContact O-N 3.13Å; L737-T741 PolarHBondContact O-OG1 3.42Å
738	I	88.5	Confident	91.3	Very high	25 Å²	25	49.3 Å²	49.3	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-46.5	177.6	-68.7	166.1	0	0	0	110.3	F734 K735 T741 E742 L743 M747 I790	F734-I738 WeakPolarHBondContact O-CG1 3.35Å; F734-I738 PolarHBondContact O-N 3.35Å; K735-I738 PolarHBondContact O-N 3.49Å; I738-T741 PolarHBondContact O-N 3.25Å; I738-T741 PolarHBondContact O-OG1 3.43Å; I738-E742 PolarHBondContact O-N 3.44Å; I738-L743 HydrophobicContact CG2-CB 4.43Å; I738-L743 WeakPolarHBondContact CG2-O 3.34Å; I738-L743 PolarHBondContact O-N 2.87Å; I738-M747 HydrophobicContact CD1-CB 3.94Å; I738-M747 HydrophobicContact CD1-SD 4.13Å; I738-I790 HydrophobicContact CD1-CD1 4.05Å
739	E	89.5	Confident	91.3	Very high	122 Å²	122	49.3 Å²	49.3	57%	0.57	24%	0.244	S	C	*	.	H	α-helix	trans	-66.2	-39.7	-179.9	-71.6	177.2	155.2	0	0	112.4	K735 L737 T741	K735-E739 VanDerWaalsContact CE-CD 3.46Å; K735-E739 WeakPolarHBondContact CE-OE1 3.47Å; K735-E739 HydrophobicContact CG-CG 4.39Å; K735-E739 IonicContact NZ-OE1 2.77Å; K735-E739 PolarHBondContact NZ-OE1 3.19Å; K735-E739 WeakPolarHBondContact O-CG 3.23Å; K735-E739 PolarHBondContact O-N 3.47Å; L737-E739 VanDerWaalsContact C-N 3.32Å; L737-E739 PolarHBondContact O-N 2.91Å; E739-T741 VanDerWaalsContact C-N 3.29Å; E739-T741 PolarHBondContact O-N 3.33Å
740	Q	85.7	Confident	91.3	Very high	153 Å²	153	49.3 Å²	49.3	72%	0.715	24%	0.244	S	C	*	.	H	α-helix	trans	-69.4	-25.4	177.9	-76	170.8	4.2	0	0	113.7	G736 L737	G736-Q740 VanDerWaalsContact O-CB 3.3Å; G736-Q740 WeakPolarHBondContact O-CB 3.39Å; G736-Q740 WeakPolarHBondContact O-CG 3.25Å; G736-Q740 PolarHBondContact O-N 3.36Å; L737-Q740 PolarHBondContact O-N 3.28Å
741	T	83.2	Confident	91.3	Very high	48 Å²	48	49.5 Å²	49.5	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-108.6	-1.5	-173.1	57.2	0	0	0	0	113.2	L737 I738 E739 L743 I815	L737-T741 WeakPolarHBondContact O-CB 3.49Å; L737-T741 VanDerWaalsContact O-CG2 3.31Å; L737-T741 WeakPolarHBondContact O-CG2 3.38Å; L737-T741 PolarHBondContact O-N 3.13Å; L737-T741 PolarHBondContact O-OG1 3.42Å; I738-T741 PolarHBondContact O-N 3.25Å; I738-T741 PolarHBondContact O-OG1 3.43Å; E739-T741 VanDerWaalsContact C-N 3.29Å; E739-T741 PolarHBondContact O-N 3.33Å; T741-L743 PolarHBondContact O-N 2.89Å; T741-L743 WeakPolarHBondContact OG1-CD1 3.49Å; T741-L743 VanDerWaalsContact OG1-CG 3.28Å; T741-L743 WeakPolarHBondContact OG1-CG 3.06Å; T741-I815 HydrophobicContact CG2-CD1 3.88Å; T741-I815 HydrophobicContact CG2-CG1 4.4Å; T741-I815 HydrophobicContact CG2-CG2 3.79Å
742	E	86.9	Confident	91.2	Very high	183 Å²	183	49.7 Å²	49.7	86%	0.855	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	35	-178.6	-57.7	-177.3	173.2	0	0	113	I738	I738-E742 PolarHBondContact O-N 3.44Å
743	L	84.9	Confident	91.1	Very high	42 Å²	42	48.5 Å²	48.5	22%	0.22	24%	0.24	C	C	.	.			trans	-74.8	132.3	179.2	-74	177.7	0	0	0	111.9	I738 T741 L745 A811 M812 I815	I738-L743 HydrophobicContact CG2-CB 4.43Å; I738-L743 WeakPolarHBondContact CG2-O 3.34Å; I738-L743 PolarHBondContact O-N 2.87Å; T741-L743 PolarHBondContact O-N 2.89Å; T741-L743 WeakPolarHBondContact OG1-CD1 3.49Å; T741-L743 VanDerWaalsContact OG1-CG 3.28Å; T741-L743 WeakPolarHBondContact OG1-CG 3.06Å; L743-L745 HydrophobicContact CB-CD1 4.18Å; L743-L745 HydrophobicContact CB-CG 4.18Å; L743-L745 HydrophobicContact CD1-CD1 3.87Å; L743-L745 PolarHBondContact O-N 3.01Å; L743-L745 VanDerWaalsContact O-N 3.1Å; L743-A811 HydrophobicContact CD2-CB 3.97Å; L743-M812 HydrophobicContact CD1-CG 4.43Å; L743-I815 HydrophobicContact CD1-CD1 3.55Å; L743-I815 HydrophobicContact CD2-CD1 3.6Å; L743-I815 HydrophobicContact CG-CD1 3.67Å
744	D	89.7	Confident	91.1	Very high	128 Å²	128	48.1 Å²	48.1	68%	0.684	24%	0.238	S	C	*	.			trans	-82.1	79.3	170	176.1	49.4	0	0	0	110.9	K807	D744-K807 WeakPolarHBondContact O-CE 3.35Å; D744-K807 PolarHBondContact O-NZ 3.45Å; D744-K807 IonicContact OD2-NZ 3.9Å; D744-K807 PolarHBondContact OD2-NZ 2.9Å
745	L	90.3	Very high	91.3	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	24%	0.237	C	C	.	.			trans	-129	131.9	178.4	-64.1	176.2	0	0	0	111.6	L743 M747 D789 I790 K807 A808 A811	L743-L745 HydrophobicContact CB-CD1 4.18Å; L743-L745 HydrophobicContact CB-CG 4.18Å; L743-L745 HydrophobicContact CD1-CD1 3.87Å; L743-L745 PolarHBondContact O-N 3.01Å; L743-L745 VanDerWaalsContact O-N 3.1Å; L745-M747 PolarHBondContact O-N 2.75Å; L745-D789 HydrophobicContact CB-CB 4.14Å; L745-D789 HydrophobicContact CD2-CB 4.07Å; L745-I790 HydrophobicContact CD1-CD1 4.27Å; L745-K807 HydrophobicContact CD2-CD 4.09Å; L745-K807 HydrophobicContact CD2-CG 4.08Å; L745-A808 HydrophobicContact CD1-CB 4.08Å; L745-A808 HydrophobicContact CD2-CB 4.08Å; L745-A811 HydrophobicContact CD1-CB 4.15Å; L745-A811 HydrophobicContact CD2-CB 4.16Å; L745-A811 HydrophobicContact CG-CB 4.48Å
746	Q	92.2	Very high	91.5	Very high	132 Å²	132	46.1 Å²	46.1	62%	0.617	23%	0.23	S	C	*	.			trans	-80	107.3	173.2	-69.3	-169.8	-14.9	0	0	111.3	D789 I790	Q746-D789 HydrophobicContact CB-CB 4.45Å; Q746-D789 PolarHBondContact N-OD2 3.32Å; Q746-D789 WeakPolarHBondContact O-CA 3.46Å; Q746-D789 WeakPolarHBondContact O-CB 3.09Å; Q746-D789 PolarHBondContact O-N 3.36Å; Q746-I790 PolarHBondContact O-N 2.88Å
747	M	94	Very high	91.7	Very high	19 Å²	19	46.3 Å²	46.3	9%	0.094	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145	173.1	-173.4	179.9	69.5	0	0	111.3	F734 K735 I738 L745 V769 P770 I790 I792	F734-M747 HydrophobicContact CB-SD 3.66Å; K735-M747 HydrophobicContact CB-CE 3.62Å; K735-M747 HydrophobicContact CG-CE 4.33Å; I738-M747 HydrophobicContact CD1-CB 3.94Å; I738-M747 HydrophobicContact CD1-SD 4.13Å; L745-M747 PolarHBondContact O-N 2.75Å; M747-V769 HydrophobicContact CE-CB 4.43Å; M747-V769 HydrophobicContact CE-CG1 4Å; M747-V769 HydrophobicContact CE-CG2 3.45Å; M747-V769 VanDerWaalsContact CE-CG2 3.45Å; M747-P770 WeakPolarHBondContact O-CD 3.4Å; M747-I790 WeakPolarHBondContact CA-O 3.49Å; M747-I790 HydrophobicContact CB-CB 4.15Å; M747-I790 HydrophobicContact CG-CB 3.93Å; M747-I790 HydrophobicContact CG-CG2 4.04Å; M747-I790 HydrophobicContact SD-CG2 4.44Å; M747-I792 HydrophobicContact CG-CD1 4.32Å; M747-I792 HydrophobicContact SD-CD1 4.04Å
748	G	96.4	Very high	92.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	160.2	172.7	0	0	0	0	0	112.7	P770 I790 I792	G748-P770 WeakPolarHBondContact CA-O 3.34Å; G748-I790 PolarHBondContact N-O 2.84Å; G748-I792 PolarHBondContact O-N 3.37Å
749	V	97.6	Very high	92.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.8	175.6	-173.4	0	0	0	0	109.8	A727 A731 Q751 L763 V769 P770 V771 I772 I792	A727-V749 HydrophobicContact CB-CG1 4.08Å; A731-V749 HydrophobicContact CB-CG2 3.82Å; V749-Q751 HydrophobicContact CG1-CG 4.22Å; V749-L763 HydrophobicContact CB-CD1 4.07Å; V749-L763 HydrophobicContact CG1-CD1 3.83Å; V749-L763 HydrophobicContact CG2-CD1 4.31Å; V749-L763 HydrophobicContact CG2-CD2 3.92Å; V749-V769 HydrophobicContact CG2-CG1 4.01Å; V749-P770 PolarHBondContact N-O 3.03Å; V749-V771 CarbonylContact O-C 3.46Å; V749-V771 VanDerWaalsContact O-CA 3.25Å; V749-V771 WeakPolarHBondContact O-CA 3.47Å; V749-I772 PolarHBondContact O-N 3.33Å; V749-I792 CarbonylContact C-O 3.54Å; V749-I792 VanDerWaalsContact CA-O 3.3Å; V749-I792 WeakPolarHBondContact CA-O 3.39Å; V749-I792 HydrophobicContact CG2-CB 4.31Å; V749-I792 HydrophobicContact CG2-CD1 4.36Å
750	V	97.3	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125	176.6	-169.9	0	0	0	0	109.4	I772 T774 L781 A784 A785 I792	V750-I772 CarbonylContact C-O 3.57Å; V750-I772 WeakPolarHBondContact CA-O 3.46Å; V750-I772 HydrophobicContact CG2-CB 4.4Å; V750-T774 HydrophobicContact CG1-CG2 3.61Å; V750-L781 HydrophobicContact CG1-CB 4.25Å; V750-L781 HydrophobicContact CG1-CG 4.28Å; V750-A784 HydrophobicContact CG1-CB 3.88Å; V750-A784 HydrophobicContact CG2-CB 4.09Å; V750-A785 HydrophobicContact CG2-CB 3.94Å; V750-I792 PolarHBondContact N-O 3.14Å
751	Q	96.7	Very high	93.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	164.1	-174.8	-83.4	-171.9	-49.3	0	0	110.9	D724 V749 S755 T760 V771 I772 C773 T774	D724-Q751 PolarHBondContact OD1-NE2 3.21Å; V749-Q751 HydrophobicContact CG1-CG 4.22Å; Q751-S755 WeakPolarHBondContact CB-OG 3.49Å; Q751-T760 PolarHBondContact OE1-OG1 3.19Å; Q751-V771 HydrophobicContact CB-CG1 4.25Å; Q751-V771 HydrophobicContact CG-CG1 4.34Å; Q751-V771 VanDerWaalsContact OE1-CG1 3.25Å; Q751-I772 PolarHBondContact N-O 3.23Å; Q751-C773 CarbonylContact O-C 3.44Å; Q751-C773 VanDerWaalsContact O-CA 3.29Å; Q751-C773 WeakPolarHBondContact O-CA 3.33Å; Q751-T774 PolarHBondContact O-N 3.46Å
752	T	94.3	Very high	94.1	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	172.9	170.6	68	0	0	0	0	111.1	Y754 S755 L781 E795	T752-Y754 PolarHBondContact O-N 2.86Å; T752-Y754 VanDerWaalsContact O-N 3.11Å; T752-Y754 PolarHBondContact OG1-N 2.9Å; T752-S755 PolarHBondContact N-OG 2.98Å; T752-S755 WeakPolarHBondContact O-CB 3.47Å; T752-S755 PolarHBondContact O-N 3.03Å; T752-S755 VanDerWaalsContact O-N 3.11Å; T752-S755 PolarHBondContact O-OG 2.91Å; T752-L781 HydrophobicContact CG2-CD1 3.69Å; T752-L781 HydrophobicContact CG2-CD2 4.04Å; T752-L781 HydrophobicContact CG2-CG 4.16Å; T752-E795 HydrophobicContact CG2-CG 3.96Å
753	A	93.3	Very high	94.6	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.5	173.4	0	0	0	0	0	113.7	S755 R880 R903 V905	A753-S755 VanDerWaalsContact C-N 3.27Å; A753-S755 PolarHBondContact O-N 2.76Å; A753-R880 HydrophobicContact CB-CG 3.73Å; A753-R903 PolarHBondContact O-NH1 2.88Å; A753-V905 HydrophobicContact CB-CG1 3.87Å; A753-V905 HydrophobicContact CB-CG2 3.95Å; A753-V905 WeakPolarHBondContact O-CG2 3.45Å
754	Y	93.3	Very high	95.1	Very high	26 Å²	26	31.5 Å²	31.5	10%	0.102	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.3	177.8	-70.8	-72.7	0	0	0	114.4	T752 T776 L862 R907 R916 Y918	T752-Y754 PolarHBondContact O-N 2.86Å; T752-Y754 VanDerWaalsContact O-N 3.11Å; T752-Y754 PolarHBondContact OG1-N 2.9Å; Y754-T776 HydrophobicContact CD2-CG2 4.39Å; Y754-T776 HydrophobicContact CE2-CG2 4.13Å; Y754-T776 WeakPolarHBondContact CE2-OG1 3.47Å; Y754-L862 HydrophobicContact CD1-CD1 4.25Å; Y754-L862 HydrophobicContact CE1-CD1 3.7Å; Y754-R907 VanDerWaalsContact OH-CD 3.27Å; Y754-R907 WeakPolarHBondContact OH-CD 3.34Å; Y754-R907 WeakPolarHBondContact OH-CG 3.14Å; Y754-R916 VanDerWaalsContact OH-CB 3.29Å; Y754-R916 WeakPolarHBondContact OH-CB 3.31Å; Y754-Y918 HydrophobicContact CD1-CD2 4.12Å; Y754-Y918 HydrophobicContact CD1-CG 4.05Å
755	S	95.5	Very high	95.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	15%	0.15	C	C	.	.	S	Bend	trans	-66	142	-174.3	-40.2	0	0	0	0	111.1	D724 Q751 T752 A753 R903	D724-S755 VanDerWaalsContact OD1-CB 3.3Å; D724-S755 WeakPolarHBondContact OD1-CB 3.43Å; D724-S755 PolarHBondContact OD1-OG 3.35Å; D724-S755 WeakPolarHBondContact OD2-CA 3.16Å; D724-S755 WeakPolarHBondContact OD2-CB 3.21Å; Q751-S755 WeakPolarHBondContact CB-OG 3.49Å; T752-S755 PolarHBondContact N-OG 2.98Å; T752-S755 WeakPolarHBondContact O-CB 3.47Å; T752-S755 PolarHBondContact O-N 3.03Å; T752-S755 VanDerWaalsContact O-N 3.11Å; T752-S755 PolarHBondContact O-OG 2.91Å; A753-S755 VanDerWaalsContact C-N 3.27Å; A753-S755 PolarHBondContact O-N 2.76Å; S755-R903 PolarHBondContact O-NH2 3.44Å
756	N	95.8	Very high	95.6	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	17%	0.174	C	C	.	.			trans	-62.2	139.5	-177.1	-165.1	-76.9	0	0	0	111.1	D724 N758 A759 T760 D857 I858 N860	D724-N756 PolarHBondContact OD2-N 2.73Å; N756-N758 PolarHBondContact O-N 3.5Å; N756-N758 PolarHBondContact OD1-N 2.87Å; N756-A759 HydrophobicContact CB-CB 4.13Å; N756-A759 WeakPolarHBondContact O-CB 3.28Å; N756-A759 PolarHBondContact O-N 3.4Å; N756-A759 VanDerWaalsContact O-N 3.1Å; N756-T760 PolarHBondContact O-N 2.92Å; N756-T760 VanDerWaalsContact O-N 3.14Å; N756-T760 PolarHBondContact O-OG1 2.89Å; N756-D857 WeakPolarHBondContact CB-OD1 3.42Å; N756-D857 VanDerWaalsContact CG-OD1 3.24Å; N756-D857 PolarHBondContact ND2-OD1 3.27Å; N756-I858 PolarHBondContact ND2-N 3.19Å; N756-I858 PolarHBondContact ND2-O 3.04Å; N756-I858 PolarHBondContact OD1-N 3.12Å; N756-N860 PolarHBondContact ND2-ND2 3.24Å
757	G	94.5	Very high	95.7	Very high	17 Å²	17	31.2 Å²	31.2	18%	0.175	15%	0.148	C	C	.	.	H	α-helix	trans	-56.2	-38.1	178.5	0	0	0	0	0	113.3	T760 R761 E920	G757-T760 PolarHBondContact O-N 3.26Å; G757-R761 PolarHBondContact O-N 2.83Å; G757-E920 PolarHBondContact N-OE2 3.42Å
758	N	95.8	Very high	95.8	Very high	35 Å²	35	39.9 Å²	39.9	19%	0.187	18%	0.18	C	C	.	.	H	α-helix	trans	-75.4	-28.1	177.8	-81	-7.9	0	0	0	113.3	N756 R761 Y762 Y855 T856 I858	N756-N758 PolarHBondContact O-N 3.5Å; N756-N758 PolarHBondContact OD1-N 2.87Å; N758-R761 PolarHBondContact O-N 2.79Å; N758-R761 PolarHBondContact OD1-NH1 3.26Å; N758-Y762 WeakPolarHBondContact O-CB 3.34Å; N758-Y762 PolarHBondContact O-N 2.89Å; N758-Y855 HydrophobicContact CB-CD2 4.17Å; N758-T856 VanDerWaalsContact CB-O 3.28Å; N758-T856 WeakPolarHBondContact CB-O 3.43Å; N758-T856 PolarHBondContact ND2-O 2.85Å; N758-I858 HydrophobicContact CB-CG1 4.06Å; N758-I858 VanDerWaalsContact CG-CG1 3.44Å; N758-I858 WeakPolarHBondContact ND2-CG1 3.49Å
759	A	96.6	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-49.1	170.8	0	0	0	0	0	110.4	D724 N756 R761 Y762 L763 Y855	D724-A759 HydrophobicContact CB-CB 3.86Å; N756-A759 HydrophobicContact CB-CB 4.13Å; N756-A759 WeakPolarHBondContact O-CB 3.28Å; N756-A759 PolarHBondContact O-N 3.4Å; N756-A759 VanDerWaalsContact O-N 3.1Å; A759-R761 VanDerWaalsContact C-N 3.29Å; A759-R761 PolarHBondContact O-N 2.75Å; A759-Y762 PolarHBondContact O-N 3.39Å; A759-L763 VanDerWaalsContact O-CG 3.3Å; A759-L763 WeakPolarHBondContact O-CG 3.43Å; A759-L763 PolarHBondContact O-N 3.4Å; A759-Y855 HydrophobicContact CB-CD2 4.47Å; A759-Y855 HydrophobicContact CB-CE1 4.28Å; A759-Y855 HydrophobicContact CB-CE2 3.59Å; A759-Y855 VanDerWaalsContact CB-CZ 3.47Å; A759-Y855 VanDerWaalsContact CB-OH 3.29Å; A759-Y855 WeakPolarHBondContact CB-OH 3.36Å
760	T	96.5	Very high	95.6	Very high	38 Å²	38	44 Å²	44	23%	0.233	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-41.9	174.7	-52.8	0	0	0	0	111.4	Q751 N756 G757 K764 V771	Q751-T760 PolarHBondContact OE1-OG1 3.19Å; N756-T760 PolarHBondContact O-N 2.92Å; N756-T760 VanDerWaalsContact O-N 3.14Å; N756-T760 PolarHBondContact O-OG1 2.89Å; G757-T760 PolarHBondContact O-N 3.26Å; T760-K764 HydrophobicContact CG2-CD 4.1Å; T760-K764 WeakPolarHBondContact O-CB 3.49Å; T760-K764 WeakPolarHBondContact O-CG 3.46Å; T760-K764 PolarHBondContact O-N 2.89Å; T760-K764 VanDerWaalsContact O-N 3.12Å; T760-V771 HydrophobicContact CG2-CG1 4.41Å
761	R	96.5	Very high	95.6	Very high	111 Å²	111	45.2 Å²	45.2	42%	0.419	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-50.5	178.7	-171.1	-179.4	-73	144.5	0.9	111.6	G757 N758 A759 L763 K764 E765	G757-R761 PolarHBondContact O-N 2.83Å; N758-R761 PolarHBondContact O-N 2.79Å; N758-R761 PolarHBondContact OD1-NH1 3.26Å; A759-R761 VanDerWaalsContact C-N 3.29Å; A759-R761 PolarHBondContact O-N 2.75Å; R761-L763 VanDerWaalsContact C-N 3.34Å; R761-L763 PolarHBondContact O-N 2.8Å; R761-K764 PolarHBondContact O-N 3.45Å; R761-E765 WeakPolarHBondContact CD-OE2 3.39Å; R761-E765 HydrophobicContact CG-CB 4.4Å; R761-E765 HydrophobicContact CG-CG 4.06Å; R761-E765 WeakPolarHBondContact CG-OE1 3.43Å; R761-E765 WeakPolarHBondContact CG-OE2 3.49Å; R761-E765 WeakPolarHBondContact O-CB 3.3Å; R761-E765 PolarHBondContact O-N 3.39Å
762	Y	97.5	Very high	95.5	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.039	23%	0.227	C	C	.	.	I	π-helix	trans	-55.8	-47.9	178	169.3	-100.5	0	0	0	111.6	A728 N732 N758 A759 K764 E766 L767 L854 Y855	A728-Y762 HydrophobicContact CB-CD1 3.98Å; A728-Y762 HydrophobicContact CB-CE1 3.81Å; N732-Y762 PolarHBondContact ND2-OH 3.3Å; N758-Y762 WeakPolarHBondContact O-CB 3.34Å; N758-Y762 PolarHBondContact O-N 2.89Å; A759-Y762 PolarHBondContact O-N 3.39Å; Y762-K764 PolarHBondContact O-N 3.05Å; Y762-E766 HydrophobicContact CD2-CB 3.84Å; Y762-E766 HydrophobicContact CD2-CG 4.15Å; Y762-E766 VanDerWaalsContact CD2-OE2 3.27Å; Y762-E766 WeakPolarHBondContact CD2-OE2 3.26Å; Y762-E766 HydrophobicContact CE2-CB 4.09Å; Y762-E766 WeakPolarHBondContact CE2-OE2 3.33Å; Y762-E766 WeakPolarHBondContact O-CA 3.3Å; Y762-E766 WeakPolarHBondContact O-CB 3.44Å; Y762-E766 PolarHBondContact O-N 3.39Å; Y762-E766 VanDerWaalsContact O-N 3.07Å; Y762-L767 HydrophobicContact CD1-CD1 4.19Å; Y762-L767 HydrophobicContact CD1-CG 4.38Å; Y762-L767 HydrophobicContact CE1-CD1 3.33Å; Y762-L767 HydrophobicContact CE1-CG 3.64Å; Y762-L767 HydrophobicContact CE2-CG 4.3Å; Y762-L767 PolarHBondContact O-N 3.01Å; Y762-L854 WeakPolarHBondContact CD2-O 3.35Å; Y762-L854 HydrophobicContact CE1-CB 4.36Å; Y762-L854 HydrophobicContact CE1-CD1 4.34Å; Y762-L854 HydrophobicContact CE2-CB 4.21Å; Y762-L854 HydrophobicContact CE2-CD2 4.41Å; Y762-L854 VanDerWaalsContact CE2-O 3.3Å; Y762-L854 WeakPolarHBondContact CE2-O 3.35Å; Y762-L854 VanDerWaalsContact OH-CD2 3.32Å; Y762-L854 WeakPolarHBondContact OH-CD2 3.34Å; Y762-Y855 AromaticContact CD1-CD1 3.76Å; Y762-Y855 HydrophobicContact CD1-CD1 3.76Å; Y762-Y855 HydrophobicContact CD1-CE1 4.19Å; Y762-Y855 HydrophobicContact CD2-CD1 4.35Å; Y762-Y855 HydrophobicContact CE1-CD1 4.45Å; Y762-Y855 AromaticContact CG-CD1 3.7Å; Y762-Y855 HydrophobicContact CG-CD1 3.7Å; Y762-Y855 HydrophobicContact CG-CG 4.3Å
763	L	97.1	Very high	95.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.237	C	C	.	.	I	π-helix	trans	-60.3	-43.5	178.8	-69.5	171.6	0	0	0	112.5	A728 A731 V749 A759 R761 L767 R768 V769 V771	A728-L763 HydrophobicContact CB-CD2 4.44Å; A731-L763 HydrophobicContact CB-CD2 4.01Å; V749-L763 HydrophobicContact CB-CD1 4.07Å; V749-L763 HydrophobicContact CG1-CD1 3.83Å; V749-L763 HydrophobicContact CG2-CD1 4.31Å; V749-L763 HydrophobicContact CG2-CD2 3.92Å; A759-L763 VanDerWaalsContact O-CG 3.3Å; A759-L763 WeakPolarHBondContact O-CG 3.43Å; A759-L763 PolarHBondContact O-N 3.4Å; R761-L763 VanDerWaalsContact C-N 3.34Å; R761-L763 PolarHBondContact O-N 2.8Å; L763-L767 HydrophobicContact CD2-CD1 4.11Å; L763-L767 CarbonylContact O-C 3.57Å; L763-R768 PolarHBondContact O-N 3.43Å; L763-V769 PolarHBondContact O-N 3.14Å; L763-V771 HydrophobicContact CB-CG2 3.51Å; L763-V771 HydrophobicContact CD1-CG2 4.02Å; L763-V771 HydrophobicContact CG-CG2 4.41Å
764	K	96.7	Very high	95.5	Very high	112 Å²	112	49.7 Å²	49.7	49%	0.487	24%	0.24	S	C	.	.	I	π-helix	trans	-81	-43.1	-176.5	-71.8	-175.6	179.1	-174.8	0	114.2	T760 R761 Y762 R768 V771	T760-K764 HydrophobicContact CG2-CD 4.1Å; T760-K764 WeakPolarHBondContact O-CB 3.49Å; T760-K764 WeakPolarHBondContact O-CG 3.46Å; T760-K764 PolarHBondContact O-N 2.89Å; T760-K764 VanDerWaalsContact O-N 3.12Å; R761-K764 PolarHBondContact O-N 3.45Å; Y762-K764 PolarHBondContact O-N 3.05Å; K764-R768 VanDerWaalsContact O-CA 3.3Å; K764-R768 WeakPolarHBondContact O-CA 3.4Å; K764-V771 HydrophobicContact CG-CB 4.12Å; K764-V771 HydrophobicContact CG-CG2 3.71Å
765	E	96.2	Very high	95.3	Very high	128 Å²	128	50.4 Å²	50.4	60%	0.598	25%	0.247	S	C	*	.	I	π-helix	trans	-94.6	-43.1	-169.1	-63	178.9	-167.6	0	0	111.5	R761	R761-E765 WeakPolarHBondContact CD-OE2 3.39Å; R761-E765 HydrophobicContact CG-CB 4.4Å; R761-E765 HydrophobicContact CG-CG 4.06Å; R761-E765 WeakPolarHBondContact CG-OE1 3.43Å; R761-E765 WeakPolarHBondContact CG-OE2 3.49Å; R761-E765 WeakPolarHBondContact O-CB 3.3Å; R761-E765 PolarHBondContact O-N 3.39Å
766	E	94.6	Very high	94.9	Very high	127 Å²	127	51.4 Å²	51.4	59%	0.593	25%	0.254	S	S	*	.	I	π-helix	trans	-89.4	-54.4	-178.2	-60	-171.6	-154.4	0	0	111.8	Y762 R768	Y762-E766 HydrophobicContact CD2-CB 3.84Å; Y762-E766 HydrophobicContact CD2-CG 4.15Å; Y762-E766 VanDerWaalsContact CD2-OE2 3.27Å; Y762-E766 WeakPolarHBondContact CD2-OE2 3.26Å; Y762-E766 HydrophobicContact CE2-CB 4.09Å; Y762-E766 WeakPolarHBondContact CE2-OE2 3.33Å; Y762-E766 WeakPolarHBondContact O-CA 3.3Å; Y762-E766 WeakPolarHBondContact O-CB 3.44Å; Y762-E766 PolarHBondContact O-N 3.39Å; Y762-E766 VanDerWaalsContact O-N 3.07Å; E766-R768 VanDerWaalsContact C-N 3.34Å
767	L	94.2	Very high	94.3	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.079	26%	0.256	C	S	.	.	S	Bend	trans	-79.9	-13.2	176.4	-71.9	-174.8	0	0	0	113.2	A731 N732 K735 Y762 L763 V769	A731-L767 HydrophobicContact CB-CD1 4.05Å; N732-L767 HydrophobicContact CB-CD1 4.13Å; N732-L767 HydrophobicContact CB-CD2 4.27Å; K735-L767 HydrophobicContact CD-CB 4.44Å; K735-L767 HydrophobicContact CD-CD2 4.26Å; K735-L767 WeakPolarHBondContact CD-O 3.34Å; K735-L767 VanDerWaalsContact CE-O 3.31Å; K735-L767 WeakPolarHBondContact CE-O 3.15Å; K735-L767 PolarHBondContact NZ-O 2.95Å; Y762-L767 HydrophobicContact CD1-CD1 4.19Å; Y762-L767 HydrophobicContact CD1-CG 4.38Å; Y762-L767 HydrophobicContact CE1-CD1 3.33Å; Y762-L767 HydrophobicContact CE1-CG 3.64Å; Y762-L767 HydrophobicContact CE2-CG 4.3Å; Y762-L767 PolarHBondContact O-N 3.01Å; L763-L767 HydrophobicContact CD2-CD1 4.11Å; L763-L767 CarbonylContact O-C 3.57Å; L767-V769 HydrophobicContact CB-CG2 4.03Å; L767-V769 WeakPolarHBondContact O-CG2 3.49Å; L767-V769 PolarHBondContact O-N 2.71Å; L767-V769 VanDerWaalsContact O-N 3.09Å
768	R	95.2	Very high	93.9	Very high	201 Å²	201	51.8 Å²	51.8	76%	0.758	25%	0.254	S	S	*	.			trans	50.3	35.7	178.9	-55.6	-177.3	-178	178.1	0.1	113.6	L763 K764 E766	L763-R768 PolarHBondContact O-N 3.43Å; K764-R768 VanDerWaalsContact O-CA 3.3Å; K764-R768 WeakPolarHBondContact O-CA 3.4Å; E766-R768 VanDerWaalsContact C-N 3.34Å
769	V	94.2	Very high	93.3	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.048	26%	0.255	C	S	.	.			trans	-98.1	136.2	177.4	178.5	0	0	0	0	108.7	K735 M747 V749 L763 L767 V771	K735-V769 HydrophobicContact CD-CG2 4.09Å; M747-V769 HydrophobicContact CE-CB 4.43Å; M747-V769 HydrophobicContact CE-CG1 4Å; M747-V769 HydrophobicContact CE-CG2 3.45Å; M747-V769 VanDerWaalsContact CE-CG2 3.45Å; V749-V769 HydrophobicContact CG2-CG1 4.01Å; L763-V769 PolarHBondContact O-N 3.14Å; L767-V769 HydrophobicContact CB-CG2 4.03Å; L767-V769 WeakPolarHBondContact O-CG2 3.49Å; L767-V769 PolarHBondContact O-N 2.71Å; L767-V769 VanDerWaalsContact O-N 3.09Å; V769-V771 PolarHBondContact O-N 3.02Å
770	P	95.7	Very high	93	Very high	79 Å²	79	56.5 Å²	56.5	51%	0.513	27%	0.271	S	S	.	.			trans	-54.4	130.9	171.1	-25.3	33.2	0	0	0	111.7	M747 G748 V749	M747-P770 WeakPolarHBondContact O-CD 3.4Å; G748-P770 WeakPolarHBondContact CA-O 3.34Å; V749-P770 PolarHBondContact N-O 3.03Å
771	V	96.6	Very high	92.7	Very high	26 Å²	26	54.7 Å²	54.7	16%	0.158	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.7	175.6	-178.5	0	0	0	0	109.9	V749 Q751 T760 L763 K764 V769	V749-V771 CarbonylContact O-C 3.46Å; V749-V771 VanDerWaalsContact O-CA 3.25Å; V749-V771 WeakPolarHBondContact O-CA 3.47Å; Q751-V771 HydrophobicContact CB-CG1 4.25Å; Q751-V771 HydrophobicContact CG-CG1 4.34Å; Q751-V771 VanDerWaalsContact OE1-CG1 3.25Å; T760-V771 HydrophobicContact CG2-CG1 4.41Å; L763-V771 HydrophobicContact CB-CG2 3.51Å; L763-V771 HydrophobicContact CD1-CG2 4.02Å; L763-V771 HydrophobicContact CG-CG2 4.41Å; K764-V771 HydrophobicContact CG-CB 4.12Å; K764-V771 HydrophobicContact CG-CG2 3.71Å; V769-V771 PolarHBondContact O-N 3.02Å
772	I	96	Very high	92.5	Very high	58 Å²	58	50 Å²	50	30%	0.297	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.6	179.3	-56.7	172.9	0	0	0	108.2	V749 V750 Q751 T774 A784 L788	V749-I772 PolarHBondContact O-N 3.33Å; V750-I772 CarbonylContact C-O 3.57Å; V750-I772 WeakPolarHBondContact CA-O 3.46Å; V750-I772 HydrophobicContact CG2-CB 4.4Å; Q751-I772 PolarHBondContact N-O 3.23Å; I772-T774 HydrophobicContact CG2-CG2 4.31Å; I772-A784 HydrophobicContact CG2-CB 4.32Å; I772-L788 HydrophobicContact CD1-CD1 4.2Å
773	C	94.5	Very high	92.1	Very high	36 Å²	36	52.4 Å²	52.4	24%	0.243	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.2	174.2	-170.9	0	0	0	0	109.6	Q751 C878	Q751-C773 CarbonylContact O-C 3.44Å; Q751-C773 VanDerWaalsContact O-CA 3.29Å; Q751-C773 WeakPolarHBondContact O-CA 3.33Å; C773-C878 PolarHBondContact O-SG 3.09Å
774	T	93.4	Very high	92	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	165.3	175.6	65.2	0	0	0	0	111.4	V750 Q751 I772 A784	V750-T774 HydrophobicContact CG1-CG2 3.61Å; Q751-T774 PolarHBondContact O-N 3.46Å; I772-T774 HydrophobicContact CG2-CG2 4.31Å; T774-A784 HydrophobicContact CG2-CB 3.65Å
775	P	89.1	Confident	91.9	Very high	40 Å²	40	48 Å²	48	26%	0.26	25%	0.249	S	C	.	.			trans	-54.9	157.2	163.1	-22.4	33.4	0	0	0	111.9	Y780 E879	P775-Y780 HydrophobicContact CB-CD2 3.84Å; P775-Y780 HydrophobicContact CB-CE2 4.13Å; P775-Y780 HydrophobicContact CB-CG 4.14Å; P775-Y780 HydrophobicContact CG-CD2 4.5Å; P775-Y780 HydrophobicContact CG-CG 4.35Å; P775-E879 HydrophobicContact CB-CG 4.25Å
776	T	86.9	Confident	91.6	Very high	24 Å²	24	46.8 Å²	46.8	15%	0.147	24%	0.242	C	C	.	.	S	Bend	trans	-62.9	138.4	177	-45.8	0	0	0	0	110.7	Y754 Y780 E795 E879 R907	Y754-T776 HydrophobicContact CD2-CG2 4.39Å; Y754-T776 HydrophobicContact CE2-CG2 4.13Å; Y754-T776 WeakPolarHBondContact CE2-OG1 3.47Å; T776-Y780 WeakPolarHBondContact O-CD2 3.36Å; T776-E795 VanDerWaalsContact CG2-OE1 3.26Å; T776-E795 WeakPolarHBondContact CG2-OE1 3.49Å; T776-E879 VanDerWaalsContact CB-OE2 3.23Å; T776-E879 WeakPolarHBondContact CB-OE2 3.39Å; T776-E879 PolarHBondContact N-OE2 3.2Å; T776-E879 PolarHBondContact OG1-OE2 3.44Å; T776-R907 PolarHBondContact OG1-NH1 2.96Å
777	G	82.7	Confident	91.6	Very high	7 Å²	7	44.8 Å²	44.8	7%	0.072	24%	0.242	C	C	.	.	S	Bend	trans	117.9	128.5	176.2	0	0	0	0	0	113.1	K779 Y780 L781 E795	G777-K779 PolarHBondContact O-N 3.11Å; G777-Y780 PolarHBondContact O-N 3.24Å; G777-L781 VanDerWaalsContact C-CD1 3.44Å; G777-L781 WeakPolarHBondContact O-CD1 3.43Å; G777-L781 PolarHBondContact O-N 3.2Å; G777-E795 PolarHBondContact N-OE1 3.14Å
778	V	85.5	Confident	91.5	Very high	21 Å²	21	45 Å²	45	13%	0.127	24%	0.244	C	C	.	.	H	α-helix	trans	-48.4	-35	-175.2	-177.3	0	0	0	0	113	Y780 L781 H782 Y793 H799 I827	V778-Y780 VanDerWaalsContact C-N 3.29Å; V778-Y780 PolarHBondContact O-N 3.31Å; V778-L781 PolarHBondContact O-N 3.46Å; V778-H782 HydrophobicContact CG1-CB 4.47Å; V778-H782 WeakPolarHBondContact O-CB 3.43Å; V778-H782 PolarHBondContact O-N 3.39Å; V778-Y793 HydrophobicContact CG1-CE2 3.9Å; V778-H799 WeakPolarHBondContact CG2-CD2 3.3Å; V778-H799 WeakPolarHBondContact CG2-NE2 3.49Å; V778-I827 HydrophobicContact CG1-CG1 4.5Å
779	K	84.5	Confident	91.4	Very high	49 Å²	49	36.6 Å²	36.6	21%	0.213	21%	0.214	C	C	.	.	H	α-helix	trans	-55.8	-41	176.9	69.1	178.1	-177.3	173.2	0	113.5	E491 G777 A783	E491-K779 IonicContact OE1-NZ 3.86Å; E491-K779 IonicContact OE2-NZ 3.47Å; E491-K779 PolarHBondContact OE2-NZ 3.47Å; G777-K779 PolarHBondContact O-N 3.11Å; K779-A783 WeakPolarHBondContact O-CB 3.36Å; K779-A783 PolarHBondContact O-N 3.33Å
780	Y	88.8	Confident	91.4	Very high	84 Å²	84	36.3 Å²	36.3	33%	0.329	21%	0.211	S	C	.	.	H	α-helix	trans	-78.6	-41.3	179.4	-57.4	-68.6	0	0	0	111.7	P775 T776 G777 V778 A784	P775-Y780 HydrophobicContact CB-CD2 3.84Å; P775-Y780 HydrophobicContact CB-CE2 4.13Å; P775-Y780 HydrophobicContact CB-CG 4.14Å; P775-Y780 HydrophobicContact CG-CD2 4.5Å; P775-Y780 HydrophobicContact CG-CG 4.35Å; T776-Y780 WeakPolarHBondContact O-CD2 3.36Å; G777-Y780 PolarHBondContact O-N 3.24Å; V778-Y780 VanDerWaalsContact C-N 3.29Å; V778-Y780 PolarHBondContact O-N 3.31Å; Y780-A784 PolarHBondContact O-N 3.28Å; Y780-A784 VanDerWaalsContact O-N 3.13Å
781	L	91.9	Very high	91.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-47.6	178.1	-73.2	88.3	0	0	0	111.1	V750 T752 G777 V778 A784 A785 Y793 E795	V750-L781 HydrophobicContact CG1-CB 4.25Å; V750-L781 HydrophobicContact CG1-CG 4.28Å; T752-L781 HydrophobicContact CG2-CD1 3.69Å; T752-L781 HydrophobicContact CG2-CD2 4.04Å; T752-L781 HydrophobicContact CG2-CG 4.16Å; G777-L781 VanDerWaalsContact C-CD1 3.44Å; G777-L781 WeakPolarHBondContact O-CD1 3.43Å; G777-L781 PolarHBondContact O-N 3.2Å; V778-L781 PolarHBondContact O-N 3.46Å; L781-A784 PolarHBondContact O-N 3.13Å; L781-A785 WeakPolarHBondContact O-CB 3.23Å; L781-A785 PolarHBondContact O-N 2.94Å; L781-Y793 HydrophobicContact CB-CD2 3.68Å; L781-Y793 HydrophobicContact CB-CE2 4.36Å; L781-Y793 HydrophobicContact CB-CG 3.94Å; L781-Y793 HydrophobicContact CD2-CD2 3.95Å; L781-Y793 HydrophobicContact CD2-CG 4.45Å; L781-Y793 HydrophobicContact CG-CD2 4.47Å; L781-E795 HydrophobicContact CD1-CG 4.08Å; L781-E795 HydrophobicContact CD2-CG 3.75Å
782	H	90.7	Very high	91.4	Very high	11 Å²	11	31.3 Å²	31.3	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-43.9	-179	-170	97.9	0	0	0	111.5	E484 V778 A784 A785 K786 Y793 A826	E484-H782 IonicContact OE2-CD2 3.36Å; E484-H782 IonicContact OE2-NE2 3.9Å; V778-H782 HydrophobicContact CG1-CB 4.47Å; V778-H782 WeakPolarHBondContact O-CB 3.43Å; V778-H782 PolarHBondContact O-N 3.39Å; H782-A784 PolarHBondContact O-N 3.41Å; H782-A785 PolarHBondContact O-N 3.43Å; H782-K786 WeakPolarHBondContact NE2-CE 3.48Å; H782-K786 WeakPolarHBondContact O-CG 3.27Å; H782-K786 PolarHBondContact O-N 2.96Å; H782-Y793 HydrophobicContact CB-CE1 4.15Å; H782-Y793 AromaticContact ND1-CE1 3.67Å; H782-Y793 AromaticContact ND1-CZ 3.74Å; H782-Y793 PolarHBondContact ND1-OH 3.18Å; H782-Y793 VanDerWaalsContact ND1-OH 3.13Å; H782-A826 PolarHBondContact CE1-O 3.38Å
783	A	90.7	Very high	91.4	Very high	62 Å²	62	28.6 Å²	28.6	51%	0.512	17%	0.166	S	C	.	.	H	α-helix	trans	-61.1	-41.6	176.1	0	0	0	0	0	112.6	K779	K779-A783 WeakPolarHBondContact O-CB 3.36Å; K779-A783 PolarHBondContact O-N 3.33Å
784	A	93.7	Very high	91.5	Very high	19 Å²	19	26.9 Å²	26.9	16%	0.157	15%	0.154	C	C	.	.	H	α-helix	trans	-69	-41.5	175.4	0	0	0	0	0	111.9	V750 I772 T774 Y780 L781 H782 K786 S787	V750-A784 HydrophobicContact CG1-CB 3.88Å; V750-A784 HydrophobicContact CG2-CB 4.09Å; I772-A784 HydrophobicContact CG2-CB 4.32Å; T774-A784 HydrophobicContact CG2-CB 3.65Å; Y780-A784 PolarHBondContact O-N 3.28Å; Y780-A784 VanDerWaalsContact O-N 3.13Å; L781-A784 PolarHBondContact O-N 3.13Å; H782-A784 PolarHBondContact O-N 3.41Å; A784-K786 VanDerWaalsContact C-N 3.3Å; A784-K786 PolarHBondContact O-N 3.34Å; A784-S787 PolarHBondContact O-N 3.04Å; A784-S787 PolarHBondContact O-OG 3.34Å
785	A	93.9	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-35.1	179.7	0	0	0	0	0	112.6	V750 L781 H782 S787 L788 Y793 L803	V750-A785 HydrophobicContact CG2-CB 3.94Å; L781-A785 WeakPolarHBondContact O-CB 3.23Å; L781-A785 PolarHBondContact O-N 2.94Å; H782-A785 PolarHBondContact O-N 3.43Å; A785-S787 PolarHBondContact O-N 3.15Å; A785-L788 PolarHBondContact O-N 2.96Å; A785-Y793 HydrophobicContact CB-CD1 3.66Å; A785-Y793 HydrophobicContact CB-CE1 4.45Å; A785-Y793 HydrophobicContact CB-CG 4.42Å; A785-L803 HydrophobicContact CB-CD1 3.87Å; A785-L803 HydrophobicContact CB-CG 4.41Å
786	K	91.7	Very high	91.8	Very high	103 Å²	103	25.5 Å²	25.5	45%	0.448	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.6	175.3	-83.3	178.7	160.9	174.4	0	115.1	E484 H782 A784 L788 L803	E484-K786 IonicContact OE1-NZ 3.31Å; E484-K786 PolarHBondContact OE1-NZ 3.19Å; E484-K786 IonicContact OE2-NZ 3.48Å; E484-K786 PolarHBondContact OE2-NZ 3.14Å; H782-K786 WeakPolarHBondContact NE2-CE 3.48Å; H782-K786 WeakPolarHBondContact O-CG 3.27Å; H782-K786 PolarHBondContact O-N 2.96Å; A784-K786 VanDerWaalsContact C-N 3.3Å; A784-K786 PolarHBondContact O-N 3.34Å; K786-L788 PolarHBondContact O-N 3.25Å; K786-L803 HydrophobicContact CG-CD1 3.73Å
787	S	93	Very high	92.1	Very high	86 Å²	86	26.1 Å²	26.1	60%	0.601	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.6	179.3	68.9	0	0	0	0	113.9	A784 A785	A784-S787 PolarHBondContact O-N 3.04Å; A784-S787 PolarHBondContact O-OG 3.34Å; A785-S787 PolarHBondContact O-N 3.15Å
788	L	93.8	Very high	92.7	Very high	20 Å²	20	25.8 Å²	25.8	11%	0.105	14%	0.143	C	C	.	.	S	Bend	trans	-106.4	160.2	-179	-60.1	164.7	0	0	0	110.5	I772 A785 K786	I772-L788 HydrophobicContact CD1-CD1 4.2Å; A785-L788 PolarHBondContact O-N 2.96Å; K786-L788 PolarHBondContact O-N 3.25Å
789	D	92.9	Very high	93.2	Very high	24 Å²	24	25.1 Å²	25.1	13%	0.128	14%	0.139	C	C	.	.	S	Bend	trans	-70.5	-41.8	171.1	-73.8	-44.3	0	0	0	111.4	L745 Q746 F804 S805 K807 A808	L745-D789 HydrophobicContact CB-CB 4.14Å; L745-D789 HydrophobicContact CD2-CB 4.07Å; Q746-D789 HydrophobicContact CB-CB 4.45Å; Q746-D789 PolarHBondContact N-OD2 3.32Å; Q746-D789 WeakPolarHBondContact O-CA 3.46Å; Q746-D789 WeakPolarHBondContact O-CB 3.09Å; Q746-D789 PolarHBondContact O-N 3.36Å; D789-F804 CarbonylContact O-C 3.58Å; D789-F804 WeakPolarHBondContact O-CA 3.07Å; D789-S805 WeakPolarHBondContact CA-OG 3.39Å; D789-S805 PolarHBondContact O-N 2.97Å; D789-S805 PolarHBondContact OD1-OG 2.87Å; D789-K807 IonicContact OD2-NZ 3.05Å; D789-A808 HydrophobicContact CB-CB 4.21Å; D789-A808 WeakPolarHBondContact O-CB 3.42Å
790	I	93.5	Very high	93.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	102.6	169.5	-54.4	-172.8	0	0	0	108	F734 I738 L745 Q746 M747 G748 I792 V802 L803 F804 A808 M812	F734-I790 HydrophobicContact CD1-CD1 4.45Å; I738-I790 HydrophobicContact CD1-CD1 4.05Å; L745-I790 HydrophobicContact CD1-CD1 4.27Å; Q746-I790 PolarHBondContact O-N 2.88Å; M747-I790 WeakPolarHBondContact CA-O 3.49Å; M747-I790 HydrophobicContact CB-CB 4.15Å; M747-I790 HydrophobicContact CG-CB 3.93Å; M747-I790 HydrophobicContact CG-CG2 4.04Å; M747-I790 HydrophobicContact SD-CG2 4.44Å; G748-I790 PolarHBondContact N-O 2.84Å; I790-I792 HydrophobicContact CG2-CG1 4.37Å; I790-V802 HydrophobicContact CG2-CG1 3.84Å; I790-L803 WeakPolarHBondContact CA-O 3.39Å; I790-F804 HydrophobicContact CD1-CD1 4.22Å; I790-F804 HydrophobicContact CD1-CE1 4.08Å; I790-F804 HydrophobicContact CG1-CD1 3.95Å; I790-F804 HydrophobicContact CG1-CE1 4.18Å; I790-F804 HydrophobicContact CG2-CD1 4.31Å; I790-F804 HydrophobicContact CG2-CE1 3.97Å; I790-A808 HydrophobicContact CG1-CB 3.99Å; I790-M812 HydrophobicContact CD1-SD 4.02Å
791	G	95.7	Very high	93.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	107.5	179.8	0	0	0	0	0	111.3	L803	G791-L803 PolarHBondContact N-O 2.63Å; G791-L803 PolarHBondContact O-N 3.13Å
792	I	96.4	Very high	94	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.4	176.9	-58.9	160	0	0	0	107.8	A727 V730 A731 M747 G748 V749 V750 I790 F794 V802	A727-I792 HydrophobicContact CB-CG2 4.17Å; V730-I792 HydrophobicContact CB-CG2 4.42Å; V730-I792 HydrophobicContact CG1-CD1 3.86Å; V730-I792 HydrophobicContact CG1-CG1 3.95Å; V730-I792 HydrophobicContact CG1-CG2 4.08Å; A731-I792 HydrophobicContact CB-CD1 3.81Å; M747-I792 HydrophobicContact CG-CD1 4.32Å; M747-I792 HydrophobicContact SD-CD1 4.04Å; G748-I792 PolarHBondContact O-N 3.37Å; V749-I792 CarbonylContact C-O 3.54Å; V749-I792 VanDerWaalsContact CA-O 3.3Å; V749-I792 WeakPolarHBondContact CA-O 3.39Å; V749-I792 HydrophobicContact CG2-CB 4.31Å; V749-I792 HydrophobicContact CG2-CD1 4.36Å; V750-I792 PolarHBondContact N-O 3.14Å; I790-I792 HydrophobicContact CG2-CG1 4.37Å; I792-F794 HydrophobicContact CG2-CD2 4.12Å; I792-F794 HydrophobicContact CG2-CE2 4.27Å; I792-V802 HydrophobicContact CG1-CG1 3.83Å; I792-V802 HydrophobicContact CG1-CG2 4.25Å
793	Y	96.7	Very high	94.1	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.9	173.6	75.9	-95.9	0	0	0	111.1	V778 L781 H782 A785 G800 T801 L803	V778-Y793 HydrophobicContact CG1-CE2 3.9Å; L781-Y793 HydrophobicContact CB-CD2 3.68Å; L781-Y793 HydrophobicContact CB-CE2 4.36Å; L781-Y793 HydrophobicContact CB-CG 3.94Å; L781-Y793 HydrophobicContact CD2-CD2 3.95Å; L781-Y793 HydrophobicContact CD2-CG 4.45Å; L781-Y793 HydrophobicContact CG-CD2 4.47Å; H782-Y793 HydrophobicContact CB-CE1 4.15Å; H782-Y793 AromaticContact ND1-CE1 3.67Å; H782-Y793 AromaticContact ND1-CZ 3.74Å; H782-Y793 PolarHBondContact ND1-OH 3.18Å; H782-Y793 VanDerWaalsContact ND1-OH 3.13Å; A785-Y793 HydrophobicContact CB-CD1 3.66Å; A785-Y793 HydrophobicContact CB-CE1 4.45Å; A785-Y793 HydrophobicContact CB-CG 4.42Å; Y793-G800 CarbonylContact O-C 3.54Å; Y793-G800 WeakPolarHBondContact O-CA 3.38Å; Y793-T801 HydrophobicContact CD1-CG2 4.33Å; Y793-T801 HydrophobicContact CE1-CG2 3.43Å; Y793-T801 VanDerWaalsContact CE1-CG2 3.43Å; Y793-T801 HydrophobicContact CE2-CG2 4.45Å; Y793-T801 PolarHBondContact N-O 3.01Å; Y793-T801 PolarHBondContact O-N 3.34Å; Y793-T801 WeakPolarHBondContact OH-CG2 3.25Å; Y793-L803 HydrophobicContact CD1-CG 4.44Å; Y793-L803 HydrophobicContact CE1-CD1 4.08Å; Y793-L803 HydrophobicContact CE1-CD2 4.38Å; Y793-L803 HydrophobicContact CE1-CG 4.03Å
794	F	96.8	Very high	94.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.5	169.9	-75.8	-98	0	0	0	108.7	G723 I726 A727 I792 H799 G800	G723-F794 WeakPolarHBondContact O-CB 3.4Å; I726-F794 HydrophobicContact CB-CD1 4.26Å; I726-F794 HydrophobicContact CB-CE1 4.3Å; I726-F794 HydrophobicContact CD1-CE1 4.48Å; I726-F794 HydrophobicContact CG2-CD1 4.09Å; I726-F794 HydrophobicContact CG2-CD2 4.38Å; I726-F794 HydrophobicContact CG2-CE1 3.65Å; I726-F794 HydrophobicContact CG2-CE2 3.97Å; I726-F794 HydrophobicContact CG2-CG 4.46Å; I726-F794 HydrophobicContact CG2-CZ 3.6Å; A727-F794 HydrophobicContact CB-CB 4.14Å; A727-F794 HydrophobicContact CB-CD2 4Å; A727-F794 HydrophobicContact CB-CG 4.4Å; I792-F794 HydrophobicContact CG2-CD2 4.12Å; I792-F794 HydrophobicContact CG2-CE2 4.27Å; F794-H799 WeakPolarHBondContact CA-O 3.39Å; F794-G800 VanDerWaalsContact CD1-CA 3.47Å
795	E	94.6	Very high	93.9	Very high	13 Å²	13	17.8 Å²	17.8	6%	0.061	10%	0.097	C	C	.	.			trans	-82.9	150.6	162.8	-69.1	-169.2	135.7	0	0	109.5	G723 T752 T776 G777 L781 N797 G798 H799	G723-E795 WeakPolarHBondContact CA-O 3.49Å; T752-E795 HydrophobicContact CG2-CG 3.96Å; T776-E795 VanDerWaalsContact CG2-OE1 3.26Å; T776-E795 WeakPolarHBondContact CG2-OE1 3.49Å; G777-E795 PolarHBondContact N-OE1 3.14Å; L781-E795 HydrophobicContact CD1-CG 4.08Å; L781-E795 HydrophobicContact CD2-CG 3.75Å; E795-N797 VanDerWaalsContact CB-OD1 3.24Å; E795-N797 WeakPolarHBondContact CB-OD1 3Å; E795-N797 PolarHBondContact O-N 2.81Å; E795-N797 PolarHBondContact OE2-ND2 3.35Å; E795-G798 PolarHBondContact O-N 2.57Å; E795-H799 PolarHBondContact N-O 3.32Å
796	P	94.5	Very high	93.5	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.058	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.5	178.9	-25.6	34.8	0	0	0	114.8	K676 D722	K676-P796 WeakPolarHBondContact CD-O 3.46Å; K676-P796 WeakPolarHBondContact CE-O 3.11Å; D722-P796 WeakPolarHBondContact CB-O 3.33Å
797	N	92.5	Very high	93.4	Very high	37 Å²	37	23.3 Å²	23.3	20%	0.198	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.8	173.8	62.4	19.2	0	0	0	113.4	E795 H799	E795-N797 VanDerWaalsContact CB-OD1 3.24Å; E795-N797 WeakPolarHBondContact CB-OD1 3Å; E795-N797 PolarHBondContact O-N 2.81Å; E795-N797 PolarHBondContact OE2-ND2 3.35Å; N797-H799 WeakPolarHBondContact OD1-CB 3.29Å; N797-H799 PolarHBondContact OD1-N 2.92Å
798	G	95.4	Very high	93.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	95.8	-1.7	179.9	0	0	0	0	0	115.5	I707 E795	I707-G798 PolarHBondContact N-O 2.91Å; I707-G798 WeakPolarHBondContact O-CA 3.41Å; E795-G798 PolarHBondContact O-N 2.57Å
799	H	94.6	Very high	92.5	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.037	10%	0.101	C	C	.	.			trans	-83.7	118.6	177	-162.1	124.4	0	0	0	109.8	D705 R706 V778 F794 E795 N797	D705-H799 VanDerWaalsContact CG-CE1 3.46Å; D705-H799 IonicContact OD1-CE1 3.23Å; D705-H799 IonicContact OD1-ND1 2.74Å; D705-H799 PolarHBondContact OD1-ND1 2.76Å; D705-H799 VanDerWaalsContact OD1-ND1 3.15Å; D705-H799 IonicContact OD2-CE1 2.99Å; D705-H799 PolarHBondContact OD2-CE1 3.37Å; D705-H799 IonicContact OD2-ND1 3.85Å; R706-H799 HydrophobicContact CG-CB 3.79Å; V778-H799 WeakPolarHBondContact CG2-CD2 3.3Å; V778-H799 WeakPolarHBondContact CG2-NE2 3.49Å; F794-H799 WeakPolarHBondContact CA-O 3.39Å; E795-H799 PolarHBondContact N-O 3.32Å; N797-H799 WeakPolarHBondContact OD1-CB 3.29Å; N797-H799 PolarHBondContact OD1-N 2.92Å
800	G	94.7	Very high	91.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	173.7	178.8	0	0	0	0	0	114	Y793 F794 G828 D833	Y793-G800 CarbonylContact O-C 3.54Å; Y793-G800 WeakPolarHBondContact O-CA 3.38Å; F794-G800 VanDerWaalsContact CD1-CA 3.47Å; G800-G828 WeakPolarHBondContact O-CA 3.26Å; G800-D833 VanDerWaalsContact O-OD2 3.09Å
801	T	94.8	Very high	91.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	-176.6	171	-172.2	0	0	0	0	109.7	Y793 L803 I823 N824	Y793-T801 HydrophobicContact CD1-CG2 4.33Å; Y793-T801 HydrophobicContact CE1-CG2 3.43Å; Y793-T801 VanDerWaalsContact CE1-CG2 3.43Å; Y793-T801 HydrophobicContact CE2-CG2 4.45Å; Y793-T801 PolarHBondContact N-O 3.01Å; Y793-T801 PolarHBondContact O-N 3.34Å; Y793-T801 WeakPolarHBondContact OH-CG2 3.25Å; T801-L803 HydrophobicContact CG2-CD2 3.9Å; T801-I823 VanDerWaalsContact OG1-CG2 3.26Å; T801-I823 WeakPolarHBondContact OG1-CG2 3.18Å; T801-N824 PolarHBondContact OG1-O 3.45Å
802	V	93.9	Very high	90.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.3	171.9	-168.1	0	0	0	0	109.6	V730 F734 I790 I792 F804 I823 Q825 L836	V730-V802 HydrophobicContact CG1-CG2 3.48Å; V730-V802 VanDerWaalsContact CG1-CG2 3.48Å; F734-V802 HydrophobicContact CE2-CG1 4.3Å; F734-V802 HydrophobicContact CE2-CG2 4.44Å; I790-V802 HydrophobicContact CG2-CG1 3.84Å; I792-V802 HydrophobicContact CG1-CG1 3.83Å; I792-V802 HydrophobicContact CG1-CG2 4.25Å; V802-F804 HydrophobicContact CB-CE2 4.05Å; V802-F804 HydrophobicContact CB-CZ 4.2Å; V802-F804 HydrophobicContact CG1-CE1 4.19Å; V802-F804 HydrophobicContact CG1-CE2 3.78Å; V802-F804 HydrophobicContact CG1-CZ 3.58Å; V802-I823 HydrophobicContact CB-CD1 4.17Å; V802-I823 HydrophobicContact CB-CG2 4.03Å; V802-I823 HydrophobicContact CG2-CD1 4.32Å; V802-I823 VanDerWaalsContact O-CG2 3.28Å; V802-I823 WeakPolarHBondContact O-CG2 3.4Å; V802-Q825 PolarHBondContact O-NE2 2.91Å; V802-L836 HydrophobicContact CG2-CD2 4.22Å
803	L	92.2	Very high	88.5	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.052	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.5	175.5	-55.2	-176.2	0	0	0	110.5	A785 K786 I790 G791 Y793 T801	A785-L803 HydrophobicContact CB-CD1 3.87Å; A785-L803 HydrophobicContact CB-CG 4.41Å; K786-L803 HydrophobicContact CG-CD1 3.73Å; I790-L803 WeakPolarHBondContact CA-O 3.39Å; G791-L803 PolarHBondContact N-O 2.63Å; G791-L803 PolarHBondContact O-N 3.13Å; Y793-L803 HydrophobicContact CD1-CG 4.44Å; Y793-L803 HydrophobicContact CE1-CD1 4.08Å; Y793-L803 HydrophobicContact CE1-CD2 4.38Å; Y793-L803 HydrophobicContact CE1-CG 4.03Å; T801-L803 HydrophobicContact CG2-CD2 3.9Å
804	F	90.5	Very high	86.6	Confident	33 Å²	33	42.9 Å²	42.9	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130	175.4	-58.2	-91.3	0	0	0	110.1	F734 D789 I790 V802 A808 I809 M812 I823	F734-F804 HydrophobicContact CD1-CE1 4.45Å; F734-F804 AromaticContact CE1-CE1 3.94Å; F734-F804 HydrophobicContact CE1-CE1 3.94Å; F734-F804 AromaticContact CE1-CZ 3.95Å; F734-F804 HydrophobicContact CE1-CZ 3.95Å; F734-F804 HydrophobicContact CE2-CZ 4.11Å; F734-F804 HydrophobicContact CZ-CE1 4.04Å; F734-F804 AromaticContact CZ-CZ 3.58Å; F734-F804 HydrophobicContact CZ-CZ 3.58Å; D789-F804 CarbonylContact O-C 3.58Å; D789-F804 WeakPolarHBondContact O-CA 3.07Å; I790-F804 HydrophobicContact CD1-CD1 4.22Å; I790-F804 HydrophobicContact CD1-CE1 4.08Å; I790-F804 HydrophobicContact CG1-CD1 3.95Å; I790-F804 HydrophobicContact CG1-CE1 4.18Å; I790-F804 HydrophobicContact CG2-CD1 4.31Å; I790-F804 HydrophobicContact CG2-CE1 3.97Å; V802-F804 HydrophobicContact CB-CE2 4.05Å; V802-F804 HydrophobicContact CB-CZ 4.2Å; V802-F804 HydrophobicContact CG1-CE1 4.19Å; V802-F804 HydrophobicContact CG1-CE2 3.78Å; V802-F804 HydrophobicContact CG1-CZ 3.58Å; F804-A808 HydrophobicContact CB-CB 4.23Å; F804-A808 HydrophobicContact CD1-CB 4.31Å; F804-I809 HydrophobicContact CB-CD1 4.15Å; F804-I809 HydrophobicContact CB-CG1 3.6Å; F804-M812 HydrophobicContact CD1-CE 4.38Å; F804-M812 HydrophobicContact CD1-SD 3.72Å; F804-M812 HydrophobicContact CE1-CE 3.83Å; F804-M812 HydrophobicContact CE1-SD 3.66Å; F804-M812 HydrophobicContact CZ-CE 4.49Å; F804-I823 HydrophobicContact CE2-CB 4.39Å; F804-I823 HydrophobicContact CE2-CD1 3.7Å; F804-I823 HydrophobicContact CZ-CD1 3.86Å
805	S	90.7	Very high	84.7	Confident	29 Å²	29	46.6 Å²	46.6	20%	0.203	22%	0.215	C	C	.	.			trans	-66	161.7	168.3	77.8	0	0	0	0	110.2	D789 K807 A808 I809	D789-S805 WeakPolarHBondContact CA-OG 3.39Å; D789-S805 PolarHBondContact O-N 2.97Å; D789-S805 PolarHBondContact OD1-OG 2.87Å; S805-K807 PolarHBondContact O-N 2.93Å; S805-K807 PolarHBondContact OG-N 3.47Å; S805-A808 PolarHBondContact O-N 2.92Å; S805-A808 VanDerWaalsContact O-N 3.12Å; S805-A808 PolarHBondContact OG-N 2.99Å; S805-A808 VanDerWaalsContact OG-N 3.1Å; S805-I809 WeakPolarHBondContact O-CB 3.25Å; S805-I809 VanDerWaalsContact O-CG1 3.3Å; S805-I809 WeakPolarHBondContact O-CG1 3.48Å; S805-I809 PolarHBondContact O-N 3.27Å
806	Q	85.7	Confident	82.8	Confident	120 Å²	120	47.9 Å²	47.9	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-59	-35.1	173.9	-169.3	61	46.2	0	0	111.5	I809 D810	Q806-I809 PolarHBondContact O-N 2.94Å; Q806-D810 PolarHBondContact NE2-OD1 2.84Å; Q806-D810 WeakPolarHBondContact O-CB 3.36Å; Q806-D810 PolarHBondContact O-N 2.97Å
807	K	88.9	Confident	80.6	Confident	98 Å²	98	54.8 Å²	54.8	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-59.8	-48.1	174.1	-173.1	-165	-177.1	-162.2	0	111.1	D744 L745 D789 S805 D810 A811	D744-K807 WeakPolarHBondContact O-CE 3.35Å; D744-K807 PolarHBondContact O-NZ 3.45Å; D744-K807 IonicContact OD2-NZ 3.9Å; D744-K807 PolarHBondContact OD2-NZ 2.9Å; L745-K807 HydrophobicContact CD2-CD 4.09Å; L745-K807 HydrophobicContact CD2-CG 4.08Å; D789-K807 IonicContact OD2-NZ 3.05Å; S805-K807 PolarHBondContact O-N 2.93Å; S805-K807 PolarHBondContact OG-N 3.47Å; K807-D810 PolarHBondContact O-N 2.89Å; K807-A811 VanDerWaalsContact O-CB 3.26Å; K807-A811 WeakPolarHBondContact O-CB 3.33Å; K807-A811 PolarHBondContact O-N 3.41Å
808	A	86.5	Confident	78.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-44.1	178.2	0	0	0	0	0	112	L745 D789 I790 F804 S805 D810 A811 M812	L745-A808 HydrophobicContact CD1-CB 4.08Å; L745-A808 HydrophobicContact CD2-CB 4.08Å; D789-A808 HydrophobicContact CB-CB 4.21Å; D789-A808 WeakPolarHBondContact O-CB 3.42Å; I790-A808 HydrophobicContact CG1-CB 3.99Å; F804-A808 HydrophobicContact CB-CB 4.23Å; F804-A808 HydrophobicContact CD1-CB 4.31Å; S805-A808 PolarHBondContact O-N 2.92Å; S805-A808 VanDerWaalsContact O-N 3.12Å; S805-A808 PolarHBondContact OG-N 2.99Å; S805-A808 VanDerWaalsContact OG-N 3.1Å; A808-D810 PolarHBondContact O-N 2.87Å; A808-A811 PolarHBondContact O-N 3.08Å; A808-M812 VanDerWaalsContact O-CB 3.25Å; A808-M812 WeakPolarHBondContact O-CB 3.22Å; A808-M812 VanDerWaalsContact O-CG 3.25Å; A808-M812 WeakPolarHBondContact O-CG 3.29Å; A808-M812 PolarHBondContact O-N 3.33Å
809	I	80.7	Confident	75.8	Confident	49 Å²	49	66 Å²	66	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-54	-55.9	174.2	-72.2	174.3	0	0	0	109	F804 S805 Q806 A811 M812 W813	F804-I809 HydrophobicContact CB-CD1 4.15Å; F804-I809 HydrophobicContact CB-CG1 3.6Å; S805-I809 WeakPolarHBondContact O-CB 3.25Å; S805-I809 VanDerWaalsContact O-CG1 3.3Å; S805-I809 WeakPolarHBondContact O-CG1 3.48Å; S805-I809 PolarHBondContact O-N 3.27Å; Q806-I809 PolarHBondContact O-N 2.94Å; I809-A811 PolarHBondContact O-N 2.85Å; I809-M812 PolarHBondContact O-N 3.3Å; I809-W813 WeakPolarHBondContact O-CB 3.38Å; I809-W813 PolarHBondContact O-N 3.34Å
810	D	80.5	Confident	73.7	Confident	84 Å²	84	67.4 Å²	67.4	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-38.2	-178.1	-67.1	-14.9	0	0	0	113.6	Q806 K807 A808	Q806-D810 PolarHBondContact NE2-OD1 2.84Å; Q806-D810 WeakPolarHBondContact O-CB 3.36Å; Q806-D810 PolarHBondContact O-N 2.97Å; K807-D810 PolarHBondContact O-N 2.89Å; A808-D810 PolarHBondContact O-N 2.87Å
811	A	80	Confident	72.3	Confident	22 Å²	22	72.7 Å²	72.7	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-47	176.4	0	0	0	0	0	111.6	L743 L745 K807 A808 I809 R814	L743-A811 HydrophobicContact CD2-CB 3.97Å; L745-A811 HydrophobicContact CD1-CB 4.15Å; L745-A811 HydrophobicContact CD2-CB 4.16Å; L745-A811 HydrophobicContact CG-CB 4.48Å; K807-A811 VanDerWaalsContact O-CB 3.26Å; K807-A811 WeakPolarHBondContact O-CB 3.33Å; K807-A811 PolarHBondContact O-N 3.41Å; A808-A811 PolarHBondContact O-N 3.08Å; I809-A811 PolarHBondContact O-N 2.85Å; A811-R814 PolarHBondContact O-N 3.05Å
812	M	71.9	Confident	71.2	Confident	28 Å²	28	73 Å²	73	14%	0.138	33%	0.328	C	S	.	.	H	α-helix	trans	-70.6	-31.2	178.8	-69.6	174.2	63.1	0	0	112.1	F734 L743 I790 F804 A808 I809 R814 I815 I816	F734-M812 HydrophobicContact CD1-CE 4.26Å; F734-M812 HydrophobicContact CE1-CE 3.66Å; L743-M812 HydrophobicContact CD1-CG 4.43Å; I790-M812 HydrophobicContact CD1-SD 4.02Å; F804-M812 HydrophobicContact CD1-CE 4.38Å; F804-M812 HydrophobicContact CD1-SD 3.72Å; F804-M812 HydrophobicContact CE1-CE 3.83Å; F804-M812 HydrophobicContact CE1-SD 3.66Å; F804-M812 HydrophobicContact CZ-CE 4.49Å; A808-M812 VanDerWaalsContact O-CB 3.25Å; A808-M812 WeakPolarHBondContact O-CB 3.22Å; A808-M812 VanDerWaalsContact O-CG 3.25Å; A808-M812 WeakPolarHBondContact O-CG 3.29Å; A808-M812 PolarHBondContact O-N 3.33Å; I809-M812 PolarHBondContact O-N 3.3Å; M812-R814 PolarHBondContact O-N 2.92Å; M812-R814 VanDerWaalsContact O-N 3.13Å; M812-I815 PolarHBondContact O-N 2.95Å; M812-I816 HydrophobicContact CB-CD1 4.13Å; M812-I816 HydrophobicContact CB-CG1 4.46Å; M812-I816 HydrophobicContact CE-CD1 3.49Å; M812-I816 VanDerWaalsContact CE-CD1 3.49Å; M812-I816 WeakPolarHBondContact O-CG1 2.91Å; M812-I816 PolarHBondContact O-N 3.48Å
813	W	62.1	Low	70.5	Confident	137 Å²	137	73.8 Å²	73.8	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-53.1	-33.5	174.9	-90.4	115.9	0	0	0	112.6	I809	I809-W813 WeakPolarHBondContact O-CB 3.38Å; I809-W813 PolarHBondContact O-N 3.34Å
814	R	56.5	Low	70.1	Confident	224 Å²	224	73.5 Å²	73.5	85%	0.845	33%	0.331	S	S	*	.	H	α-helix	trans	-76.5	-29.5	-179.4	-70.5	-177.1	174.3	172.1	-0.1	113.5	A811 M812	A811-R814 PolarHBondContact O-N 3.05Å; M812-R814 PolarHBondContact O-N 2.92Å; M812-R814 VanDerWaalsContact O-N 3.13Å
815	I	57.9	Low	70.1	Confident	78 Å²	78	73.5 Å²	73.5	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-95.9	-41.1	-173.4	-69.2	154.9	0	0	0	110.6	T741 L743 M812 E817	T741-I815 HydrophobicContact CG2-CD1 3.88Å; T741-I815 HydrophobicContact CG2-CG1 4.4Å; T741-I815 HydrophobicContact CG2-CG2 3.79Å; L743-I815 HydrophobicContact CD1-CD1 3.55Å; L743-I815 HydrophobicContact CD2-CD1 3.6Å; L743-I815 HydrophobicContact CG-CD1 3.67Å; M812-I815 PolarHBondContact O-N 2.95Å; I815-E817 VanDerWaalsContact C-N 3.26Å; I815-E817 PolarHBondContact O-N 3.21Å
816	I	55.2	Low	69.8	Low	39 Å²	39	72.2 Å²	72.2	20%	0.2	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	39.8	-172.2	-40.5	-177	0	0	0	110.3	L614 M812 R818 R819	L614-I816 HydrophobicContact CD2-CG2 4.15Å; M812-I816 HydrophobicContact CB-CD1 4.13Å; M812-I816 HydrophobicContact CB-CG1 4.46Å; M812-I816 HydrophobicContact CE-CD1 3.49Å; M812-I816 VanDerWaalsContact CE-CD1 3.49Å; M812-I816 WeakPolarHBondContact O-CG1 2.91Å; M812-I816 PolarHBondContact O-N 3.48Å; I816-R818 PolarHBondContact O-N 3.49Å; I816-R818 VanDerWaalsContact O-N 3.13Å; I816-R819 HydrophobicContact CB-CB 4.38Å; I816-R819 HydrophobicContact CG2-CB 3.57Å; I816-R819 HydrophobicContact CG2-CG 4.16Å; I816-R819 WeakPolarHBondContact O-CB 3.26Å; I816-R819 WeakPolarHBondContact O-CD 3.45Å; I816-R819 WeakPolarHBondContact O-CG 3.16Å; I816-R819 PolarHBondContact O-N 2.88Å
817	E	47.4	Very low	70.1	Confident	154 Å²	154	66.8 Å²	66.8	72%	0.72	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	6.1	91.9	176.2	-78.3	-171	153.3	0	0	115.1	I815 R819	I815-E817 VanDerWaalsContact C-N 3.26Å; I815-E817 PolarHBondContact O-N 3.21Å; E817-R819 VanDerWaalsContact C-N 3.28Å; E817-R819 WeakPolarHBondContact O-CG 3.4Å; E817-R819 PolarHBondContact O-N 3.5Å
818	R	39.9	Very low	70.1	Confident	198 Å²	198	62.1 Å²	62.1	75%	0.747	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	20.7	176.3	-58.8	179.5	169.9	-178.3	-2.1	116.6	R613 I816	R613-R818 WeakPolarHBondContact CD-O 3.48Å; R613-R818 PolarHBondContact NH1-O 3.4Å; I816-R818 PolarHBondContact O-N 3.49Å; I816-R818 VanDerWaalsContact O-N 3.13Å
819	R	48.1	Very low	70.5	Confident	76 Å²	76	62.1 Å²	62.1	29%	0.287	28%	0.277	S	S	.	.			trans	-115.4	133.9	179.2	-57.8	145.5	-179.5	-138.5	8.4	109.7	R613 L614 S616 I816 E817	R613-R819 HydrophobicContact CB-CG 3.62Å; R613-R819 PolarHBondContact O-NE 2.8Å; R613-R819 PolarHBondContact O-NH1 3Å; R613-R819 VanDerWaalsContact O-NH1 3.08Å; R613-R819 PolarHBondContact O-NH2 2.67Å; L614-R819 HydrophobicContact CD2-CB 3.88Å; L614-R819 HydrophobicContact CD2-CG 4.38Å; L614-R819 HydrophobicContact CG-CB 4.38Å; S616-R819 PolarHBondContact OG-NH2 3.3Å; I816-R819 HydrophobicContact CB-CB 4.38Å; I816-R819 HydrophobicContact CG2-CB 3.57Å; I816-R819 HydrophobicContact CG2-CG 4.16Å; I816-R819 WeakPolarHBondContact O-CB 3.26Å; I816-R819 WeakPolarHBondContact O-CD 3.45Å; I816-R819 WeakPolarHBondContact O-CG 3.16Å; I816-R819 PolarHBondContact O-N 2.88Å; E817-R819 VanDerWaalsContact C-N 3.28Å; E817-R819 WeakPolarHBondContact O-CG 3.4Å; E817-R819 PolarHBondContact O-N 3.5Å
820	S	49.6	Very low	71.3	Confident	37 Å²	37	59.8 Å²	59.8	26%	0.259	27%	0.265	S	S	.	.			cis	-177	138.5	-16.7	54.9	0	0	0	0	105.1	A610 L614 M822	A610-S820 WeakPolarHBondContact CB-OG 3.47Å; L614-S820 WeakPolarHBondContact CD1-OG 3.46Å; L614-S820 WeakPolarHBondContact CG-OG 3.33Å; S820-M822 PolarHBondContact O-N 3.44Å
821	K	64.9	Low	71.9	Confident	111 Å²	111	55.8 Å²	55.8	48%	0.483	24%	0.244	S	C	.	.			trans	-74.1	50.9	175.7	-63.1	178.9	174.6	-177.8	0	111.4	E590	E590-K821 IonicContact OE2-NZ 2.99Å
822	M	71.7	Confident	72.6	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.025	24%	0.236	C	C	.	.			trans	-67.9	-39.4	-179.5	-160.5	175	63.3	0	0	111	L607 A610 Y611 L614 S820 C832 L835 L836	L607-M822 HydrophobicContact CD1-CG 3.76Å; A610-M822 HydrophobicContact CB-CB 3.68Å; A610-M822 HydrophobicContact CB-CG 3.98Å; Y611-M822 HydrophobicContact CD2-SD 4.16Å; L614-M822 HydrophobicContact CD1-CB 4.23Å; L614-M822 HydrophobicContact CD1-CE 3.65Å; L614-M822 HydrophobicContact CD1-SD 3.67Å; S820-M822 PolarHBondContact O-N 3.44Å; M822-C832 PolarHBondContact O-SG 3Å; M822-C832 VanDerWaalsContact O-SG 3.36Å; M822-L835 HydrophobicContact SD-CB 4.27Å; M822-L836 HydrophobicContact CE-CB 3.97Å; M822-L836 HydrophobicContact CE-CD1 3.91Å
823	I	79.7	Confident	73.7	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.092	23%	0.23	C	C	.	.	S	Bend	trans	-85.8	123.8	-173.6	-58.3	170.6	0	0	0	109.3	F734 T801 V802 F804 Q825 L836	F734-I823 HydrophobicContact CE2-CD1 4.43Å; F734-I823 HydrophobicContact CZ-CD1 4.14Å; T801-I823 VanDerWaalsContact OG1-CG2 3.26Å; T801-I823 WeakPolarHBondContact OG1-CG2 3.18Å; V802-I823 HydrophobicContact CB-CD1 4.17Å; V802-I823 HydrophobicContact CB-CG2 4.03Å; V802-I823 HydrophobicContact CG2-CD1 4.32Å; V802-I823 VanDerWaalsContact O-CG2 3.28Å; V802-I823 WeakPolarHBondContact O-CG2 3.4Å; F804-I823 HydrophobicContact CE2-CB 4.39Å; F804-I823 HydrophobicContact CE2-CD1 3.7Å; F804-I823 HydrophobicContact CZ-CD1 3.86Å; I823-Q825 PolarHBondContact O-N 2.97Å; I823-Q825 VanDerWaalsContact O-N 3.15Å; I823-Q825 PolarHBondContact O-NE2 2.86Å; I823-L836 HydrophobicContact CD1-CD1 3.95Å; I823-L836 HydrophobicContact CD1-CD2 3.93Å; I823-L836 HydrophobicContact CG1-CD1 4.3Å; I823-L836 HydrophobicContact CG1-CD2 4.15Å
824	N	84.5	Confident	75.3	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	21%	0.206	C	C	.	.			trans	-66.7	112.6	179.6	-166.9	-22.6	0	0	0	110.2	P582 T801 A826 D829	P582-N824 PolarHBondContact O-ND2 3.46Å; T801-N824 PolarHBondContact OG1-O 3.45Å; N824-A826 VanDerWaalsContact C-N 3.31Å; N824-A826 WeakPolarHBondContact OD1-CB 3.43Å; N824-A826 PolarHBondContact OD1-N 3.2Å; N824-D829 HydrophobicContact CB-CB 3.57Å; N824-D829 PolarHBondContact ND2-OD2 2.72Å
825	Q	88.7	Confident	77.1	Confident	33 Å²	33	36.5 Å²	36.5	15%	0.154	17%	0.165	C	C	.	.	S	Bend	trans	-83.3	-5	-178.6	-61	-61	-71.1	0	0	113.2	V802 I823	V802-Q825 PolarHBondContact O-NE2 2.91Å; I823-Q825 PolarHBondContact O-N 2.97Å; I823-Q825 VanDerWaalsContact O-N 3.15Å; I823-Q825 PolarHBondContact O-NE2 2.86Å
826	A	85.5	Confident	78.8	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.025	15%	0.148	C	C	.	.	S	Bend	trans	-90.7	-49	-176.4	0	0	0	0	0	112.4	H585 R589 H782 N824	H585-A826 HydrophobicContact CB-CB 4.27Å; R589-A826 HydrophobicContact CB-CB 4.37Å; H782-A826 PolarHBondContact CE1-O 3.38Å; N824-A826 VanDerWaalsContact C-N 3.31Å; N824-A826 WeakPolarHBondContact OD1-CB 3.43Å; N824-A826 PolarHBondContact OD1-N 3.2Å
827	I	91.2	Very high	80.7	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	14%	0.138	C	C	.	.	S	Bend	trans	-154.7	170	-177.4	-164.7	159.1	0	0	0	109.7	M485 P582 H585 V778 D829	M485-I827 HydrophobicContact SD-CD1 4.18Å; P582-I827 HydrophobicContact CB-CG2 4.09Å; H585-I827 HydrophobicContact CB-CB 4.32Å; H585-I827 HydrophobicContact CB-CG2 3.52Å; H585-I827 VanDerWaalsContact CE1-CD1 3.47Å; H585-I827 WeakPolarHBondContact CE1-CD1 3.3Å; V778-I827 HydrophobicContact CG1-CG1 4.5Å; I827-D829 PolarHBondContact O-N 2.93Å
828	G	89.9	Confident	82.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.104	C	C	.	.			trans	-61.1	133.9	172.5	0	0	0	0	0	112.2	P582 G800	P582-G828 WeakPolarHBondContact CG-O 3.38Å; G800-G828 WeakPolarHBondContact O-CA 3.26Å
829	D	94.7	Very high	85.2	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.			trans	-135.1	99.3	-171.5	-172.5	-25.9	0	0	0	109.8	P582 Y603 N824 I827 I831 C832 D833	P582-D829 HydrophobicContact CB-CB 3.57Å; P582-D829 WeakPolarHBondContact CB-OD2 3.2Å; P582-D829 HydrophobicContact CG-CB 4.07Å; Y603-D829 PolarHBondContact OH-OD1 3.17Å; Y603-D829 PolarHBondContact OH-OD2 3.26Å; N824-D829 HydrophobicContact CB-CB 3.57Å; N824-D829 PolarHBondContact ND2-OD2 2.72Å; I827-D829 PolarHBondContact O-N 2.93Å; D829-I831 PolarHBondContact O-N 3.45Å; D829-I831 VanDerWaalsContact O-N 3.13Å; D829-I831 PolarHBondContact OD1-N 2.92Å; D829-I831 VanDerWaalsContact OD1-N 3.16Å; D829-C832 HydrophobicContact CB-CB 3.89Å; D829-C832 PolarHBondContact O-N 3.43Å; D829-C832 PolarHBondContact OD1-N 3Å; D829-C832 PolarHBondContact OD2-SG 3.31Å; D829-D833 WeakPolarHBondContact O-CB 3.44Å; D829-D833 PolarHBondContact O-N 3.11Å
830	A	96.8	Very high	87.3	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.4	-30.9	-173.6	0	0	0	0	0	113	L700 A704 R706 I707 L834	L700-A830 HydrophobicContact CD2-CB 3.68Å; A704-A830 HydrophobicContact CB-CB 4.47Å; A704-A830 WeakPolarHBondContact O-CB 3.34Å; A704-A830 PolarHBondContact O-N 3.11Å; R706-A830 WeakPolarHBondContact O-CB 3.21Å; I707-A830 HydrophobicContact CB-CB 3.97Å; I707-A830 HydrophobicContact CG2-CB 4.43Å; A830-L834 WeakPolarHBondContact O-CB 3.49Å; A830-L834 PolarHBondContact O-N 2.77Å
831	I	94.5	Very high	89.3	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-73.9	-45	177.9	-65	179.1	0	0	0	110.1	T580 L607 K641 L642 I645 D829 D833 L834 L835	T580-I831 HydrophobicContact CG2-CD1 4.1Å; L607-I831 HydrophobicContact CD2-CG2 3.95Å; K641-I831 HydrophobicContact CB-CD1 4.03Å; L642-I831 HydrophobicContact CD1-CG2 4.21Å; I645-I831 HydrophobicContact CD1-CG2 3.27Å; D829-I831 PolarHBondContact O-N 3.45Å; D829-I831 VanDerWaalsContact O-N 3.13Å; D829-I831 PolarHBondContact OD1-N 2.92Å; D829-I831 VanDerWaalsContact OD1-N 3.16Å; I831-D833 VanDerWaalsContact C-N 3.32Å; I831-L834 PolarHBondContact O-N 2.97Å; I831-L835 PolarHBondContact O-N 3.35Å
832	C	94.3	Very high	90.4	Very high	4 Å²	4	5.8 Å²	5.8	3%	0.027	3%	0.027	C	C	.	.	H	α-helix	trans	-64.2	-38.9	174.5	-66.7	0	0	0	0	111.7	L607 M822 D829 L835 L836	L607-C832 HydrophobicContact CD1-CB 4.48Å; L607-C832 VanDerWaalsContact CD1-SG 3.58Å; M822-C832 PolarHBondContact O-SG 3Å; M822-C832 VanDerWaalsContact O-SG 3.36Å; D829-C832 HydrophobicContact CB-CB 3.89Å; D829-C832 PolarHBondContact O-N 3.43Å; D829-C832 PolarHBondContact OD1-N 3Å; D829-C832 PolarHBondContact OD2-SG 3.31Å; C832-L835 PolarHBondContact O-N 3.47Å; C832-L836 WeakPolarHBondContact O-CB 3.37Å; C832-L836 PolarHBondContact O-N 2.78Å
833	D	95.5	Very high	91	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.011	4%	0.041	C	C	.	.	H	α-helix	trans	-66.2	-39.2	178.4	-68.4	-26	0	0	0	111.7	I707 G800 D829 I831 L836 V837	I707-D833 HydrophobicContact CG2-CB 3.69Å; G800-D833 VanDerWaalsContact O-OD2 3.09Å; D829-D833 WeakPolarHBondContact O-CB 3.44Å; D829-D833 PolarHBondContact O-N 3.11Å; I831-D833 VanDerWaalsContact C-N 3.32Å; D833-L836 PolarHBondContact O-N 3.35Å; D833-V837 WeakPolarHBondContact O-CB 3.37Å; D833-V837 WeakPolarHBondContact O-CG2 3.5Å; D833-V837 PolarHBondContact O-N 3.38Å
834	L	95.9	Very high	91.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-55.8	-52.9	170.9	175.7	62	0	0	0	111	V629 V631 L642 I655 A698 I707 F709 A830 I831 L836 V837 E838	V629-L834 HydrophobicContact CG2-CD1 4.16Å; V631-L834 HydrophobicContact CG2-CD1 4.48Å; V631-L834 HydrophobicContact CG2-CD2 3.95Å; L642-L834 HydrophobicContact CD1-CD2 4.02Å; L642-L834 HydrophobicContact CD2-CD2 3.96Å; I655-L834 HydrophobicContact CD1-CD2 4.46Å; A698-L834 HydrophobicContact CB-CD1 4.28Å; I707-L834 HydrophobicContact CD1-CB 3.64Å; I707-L834 HydrophobicContact CD1-CD1 4.14Å; I707-L834 HydrophobicContact CD1-CG 4.41Å; F709-L834 HydrophobicContact CE1-CD1 3.93Å; F709-L834 HydrophobicContact CZ-CD1 3.68Å; A830-L834 WeakPolarHBondContact O-CB 3.49Å; A830-L834 PolarHBondContact O-N 2.77Å; I831-L834 PolarHBondContact O-N 2.97Å; L834-L836 VanDerWaalsContact C-N 3.31Å; L834-L836 PolarHBondContact O-N 3.02Å; L834-V837 PolarHBondContact O-N 3.27Å; L834-E838 HydrophobicContact CD1-CG 4.26Å; L834-E838 WeakPolarHBondContact O-CG 3.23Å; L834-E838 PolarHBondContact O-N 2.67Å
835	L	93.5	Very high	91.6	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.9	-33.7	-179.5	-66.1	178.4	0	0	0	112.3	L607 Y611 I645 L653 M822 I831 C832 T839	L607-L835 HydrophobicContact CD1-CD1 3.85Å; L607-L835 HydrophobicContact CD2-CD1 3.8Å; L607-L835 HydrophobicContact CG-CD1 3.68Å; Y611-L835 HydrophobicContact CD2-CB 3.91Å; Y611-L835 HydrophobicContact CD2-CD2 3.91Å; Y611-L835 HydrophobicContact CD2-CG 4.33Å; Y611-L835 HydrophobicContact CE2-CB 4.3Å; Y611-L835 HydrophobicContact CE2-CD2 3.94Å; Y611-L835 HydrophobicContact CG-CD2 4.4Å; I645-L835 HydrophobicContact CG2-CD1 4.28Å; I645-L835 HydrophobicContact CG2-CD2 4.46Å; L653-L835 HydrophobicContact CD2-CD2 4.07Å; M822-L835 HydrophobicContact SD-CB 4.27Å; I831-L835 PolarHBondContact O-N 3.35Å; C832-L835 PolarHBondContact O-N 3.47Å; L835-T839 VanDerWaalsContact O-CB 3.29Å; L835-T839 WeakPolarHBondContact O-CB 3.23Å; L835-T839 PolarHBondContact O-N 2.79Å; L835-T839 PolarHBondContact O-OG1 3.13Å
836	L	92.8	Very high	91.6	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-64.6	-50.8	174.2	177.6	61.3	0	0	0	111.4	V730 V802 M822 I823 C832 D833 L834 E838 T839 I840	V730-L836 HydrophobicContact CG2-CD2 3.95Å; V730-L836 HydrophobicContact CG2-CG 4.49Å; V802-L836 HydrophobicContact CG2-CD2 4.22Å; M822-L836 HydrophobicContact CE-CB 3.97Å; M822-L836 HydrophobicContact CE-CD1 3.91Å; I823-L836 HydrophobicContact CD1-CD1 3.95Å; I823-L836 HydrophobicContact CD1-CD2 3.93Å; I823-L836 HydrophobicContact CG1-CD1 4.3Å; I823-L836 HydrophobicContact CG1-CD2 4.15Å; C832-L836 WeakPolarHBondContact O-CB 3.37Å; C832-L836 PolarHBondContact O-N 2.78Å; D833-L836 PolarHBondContact O-N 3.35Å; L834-L836 VanDerWaalsContact C-N 3.31Å; L834-L836 PolarHBondContact O-N 3.02Å; L836-E838 VanDerWaalsContact C-N 3.35Å; L836-E838 PolarHBondContact O-N 3.36Å; L836-T839 PolarHBondContact O-N 3.45Å; L836-I840 HydrophobicContact CD1-CD1 3.94Å; L836-I840 HydrophobicContact CD1-CG1 4.26Å; L836-I840 HydrophobicContact CG-CD1 3.96Å; L836-I840 VanDerWaalsContact O-CG1 3.3Å; L836-I840 WeakPolarHBondContact O-CG1 3.45Å; L836-I840 PolarHBondContact O-N 2.7Å
837	V	94.9	Very high	91.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-48.1	178.1	168.4	0	0	0	0	110.3	F709 I726 L729 D833 L834 T839 I840 L841 W851	F709-V837 HydrophobicContact CE1-CG1 3.98Å; F709-V837 HydrophobicContact CE2-CB 4.1Å; F709-V837 HydrophobicContact CE2-CG1 4.05Å; F709-V837 HydrophobicContact CE2-CG2 3.91Å; F709-V837 HydrophobicContact CZ-CB 3.81Å; F709-V837 HydrophobicContact CZ-CG1 3.67Å; F709-V837 HydrophobicContact CZ-CG2 4.15Å; I726-V837 HydrophobicContact CG2-CG2 4.07Å; L729-V837 HydrophobicContact CD2-CG1 4.01Å; L729-V837 HydrophobicContact CD2-CG2 4.34Å; D833-V837 WeakPolarHBondContact O-CB 3.37Å; D833-V837 WeakPolarHBondContact O-CG2 3.5Å; D833-V837 PolarHBondContact O-N 3.38Å; L834-V837 PolarHBondContact O-N 3.27Å; V837-T839 VanDerWaalsContact C-N 3.33Å; V837-T839 PolarHBondContact O-N 2.77Å; V837-I840 PolarHBondContact O-N 3.04Å; V837-I840 VanDerWaalsContact O-N 3.14Å; V837-L841 HydrophobicContact CG1-CD1 3.89Å; V837-L841 HydrophobicContact CG1-CG 4.24Å; V837-L841 WeakPolarHBondContact O-CG 3.41Å; V837-L841 PolarHBondContact O-N 3.22Å; V837-W851 HydrophobicContact CG1-CE3 4.33Å; V837-W851 HydrophobicContact CG1-CH2 3.85Å; V837-W851 HydrophobicContact CG1-CZ3 3.61Å; V837-W851 HydrophobicContact CG2-CH2 4.39Å
838	E	93.2	Very high	91.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-37.6	179.7	-68.6	-60.1	147	0	0	112.2	Y625 L653 R696 L834 L836 R842	Y625-E838 PolarHBondContact OH-OE2 2.99Å; L653-E838 HydrophobicContact CD1-CB 4.12Å; L653-E838 HydrophobicContact CD1-CG 3.98Å; L653-E838 HydrophobicContact CD2-CB 4.15Å; L653-E838 HydrophobicContact CD2-CG 4.13Å; R696-E838 IonicContact CZ-OE1 2.78Å; R696-E838 IonicContact CZ-OE2 2.74Å; R696-E838 IonicContact NE-OE1 2.76Å; R696-E838 PolarHBondContact NE-OE1 3.34Å; R696-E838 IonicContact NE-OE2 3.82Å; R696-E838 IonicContact NH2-OE1 3.84Å; R696-E838 IonicContact NH2-OE2 3.51Å; R696-E838 PolarHBondContact NH2-OE2 2.87Å; L834-E838 HydrophobicContact CD1-CG 4.26Å; L834-E838 WeakPolarHBondContact O-CG 3.23Å; L834-E838 PolarHBondContact O-N 2.67Å; L836-E838 VanDerWaalsContact C-N 3.35Å; L836-E838 PolarHBondContact O-N 3.36Å; E838-R842 VanDerWaalsContact O-CB 3.24Å; E838-R842 WeakPolarHBondContact O-CB 3.31Å; E838-R842 PolarHBondContact O-N 2.97Å
839	T	89.9	Confident	91.9	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-62.3	-44.2	172.3	-61.1	0	0	0	0	111.5	Y611 L614 N615 L835 L836 V837 R842 N843	Y611-T839 WeakPolarHBondContact CE2-OG1 3.28Å; L614-T839 HydrophobicContact CB-CG2 4.04Å; L614-T839 HydrophobicContact CD1-CG2 4.45Å; N615-T839 PolarHBondContact ND2-OG1 3.21Å; N615-T839 VanDerWaalsContact ND2-OG1 3.08Å; L835-T839 VanDerWaalsContact O-CB 3.29Å; L835-T839 WeakPolarHBondContact O-CB 3.23Å; L835-T839 PolarHBondContact O-N 2.79Å; L835-T839 PolarHBondContact O-OG1 3.13Å; L836-T839 PolarHBondContact O-N 3.45Å; V837-T839 VanDerWaalsContact C-N 3.33Å; V837-T839 PolarHBondContact O-N 2.77Å; T839-R842 PolarHBondContact O-N 3.19Å; T839-N843 WeakPolarHBondContact O-CB 3.46Å; T839-N843 VanDerWaalsContact O-CG 3.26Å; T839-N843 PolarHBondContact O-N 2.68Å
840	I	91.8	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-46.6	179.4	-67.2	167.8	0	0	0	110.9	L729 V730 Y733 L836 V837 R842 N843 K844	L729-I840 HydrophobicContact CD1-CG2 3.78Å; L729-I840 HydrophobicContact CD2-CB 4.46Å; L729-I840 HydrophobicContact CD2-CG2 4.18Å; L729-I840 HydrophobicContact CG-CG2 3.79Å; V730-I840 HydrophobicContact CB-CD1 4.48Å; V730-I840 HydrophobicContact CG2-CD1 3.87Å; Y733-I840 HydrophobicContact CD1-CD1 4.26Å; Y733-I840 HydrophobicContact CD1-CG1 3.89Å; Y733-I840 HydrophobicContact CD2-CB 4.34Å; Y733-I840 HydrophobicContact CD2-CG1 4.07Å; Y733-I840 HydrophobicContact CD2-CG2 3.8Å; Y733-I840 HydrophobicContact CE1-CG1 4.32Å; Y733-I840 HydrophobicContact CG-CB 4.41Å; Y733-I840 HydrophobicContact CG-CD1 4.18Å; Y733-I840 HydrophobicContact CG-CG1 3.74Å; Y733-I840 HydrophobicContact CG-CG2 3.96Å; L836-I840 HydrophobicContact CD1-CD1 3.94Å; L836-I840 HydrophobicContact CD1-CG1 4.26Å; L836-I840 HydrophobicContact CG-CD1 3.96Å; L836-I840 VanDerWaalsContact O-CG1 3.3Å; L836-I840 WeakPolarHBondContact O-CG1 3.45Å; L836-I840 PolarHBondContact O-N 2.7Å; V837-I840 PolarHBondContact O-N 3.04Å; V837-I840 VanDerWaalsContact O-N 3.14Å; I840-R842 VanDerWaalsContact C-N 3.33Å; I840-R842 PolarHBondContact O-N 3.15Å; I840-N843 PolarHBondContact O-N 2.96Å; I840-K844 HydrophobicContact CG2-CG 4.13Å; I840-K844 VanDerWaalsContact O-CB 3.3Å; I840-K844 WeakPolarHBondContact O-CB 3.19Å; I840-K844 WeakPolarHBondContact O-CG 3.21Å; I840-K844 PolarHBondContact O-N 3.31Å
841	L	92.2	Very high	91.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-42.7	179.2	-68.9	178.7	0	0	0	111.2	Y625 L729 V837 R845 W846 W851	Y625-L841 HydrophobicContact CD2-CB 4.35Å; Y625-L841 HydrophobicContact CE2-CB 4.03Å; L729-L841 HydrophobicContact CD1-CD2 4.41Å; L729-L841 HydrophobicContact CD2-CD2 4.27Å; L729-L841 HydrophobicContact CD2-CG 4.48Å; V837-L841 HydrophobicContact CG1-CD1 3.89Å; V837-L841 HydrophobicContact CG1-CG 4.24Å; V837-L841 WeakPolarHBondContact O-CG 3.41Å; V837-L841 PolarHBondContact O-N 3.22Å; L841-R845 WeakPolarHBondContact O-CA 3.21Å; L841-R845 PolarHBondContact O-N 2.81Å; L841-W846 HydrophobicContact CD2-CB 3.96Å; L841-W846 PolarHBondContact O-N 3.04Å; L841-W851 HydrophobicContact CD1-CE3 4.24Å; L841-W851 HydrophobicContact CD2-CB 4.15Å; L841-W851 HydrophobicContact CD2-CE3 4.29Å
842	R	87.3	Confident	91.8	Very high	38 Å²	38	31 Å²	31	14%	0.143	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-50	174.7	-177.9	172	172.4	-178.6	-8.1	111.7	N615 Y625 E838 T839 I840 K844 R845	N615-R842 PolarHBondContact O-NH2 3.42Å; Y625-R842 HydrophobicContact CD1-CB 4.35Å; Y625-R842 HydrophobicContact CD1-CG 4.31Å; Y625-R842 HydrophobicContact CE1-CB 4.16Å; Y625-R842 HydrophobicContact CE1-CG 4.33Å; Y625-R842 HydrophobicContact CE2-CB 4.36Å; E838-R842 VanDerWaalsContact O-CB 3.24Å; E838-R842 WeakPolarHBondContact O-CB 3.31Å; E838-R842 PolarHBondContact O-N 2.97Å; T839-R842 PolarHBondContact O-N 3.19Å; I840-R842 VanDerWaalsContact C-N 3.33Å; I840-R842 PolarHBondContact O-N 3.15Å; R842-K844 PolarHBondContact O-N 3.03Å; R842-R845 PolarHBondContact O-N 3.06Å
843	N	85.5	Confident	91.8	Very high	60 Å²	60	36.5 Å²	36.5	32%	0.321	16%	0.158	S	C	.	.	H	α-helix	trans	-65.8	-38.8	-178.9	-73.3	-5.5	0	0	0	112.8	Y733 T839 I840 R845	Y733-N843 HydrophobicContact CE2-CB 4.04Å; Y733-N843 PolarHBondContact OH-ND2 3.41Å; T839-N843 WeakPolarHBondContact O-CB 3.46Å; T839-N843 VanDerWaalsContact O-CG 3.26Å; T839-N843 PolarHBondContact O-N 2.68Å; I840-N843 PolarHBondContact O-N 2.96Å; N843-R845 VanDerWaalsContact C-N 3.28Å
844	K	87.6	Confident	91.8	Very high	62 Å²	62	37.3 Å²	37.3	27%	0.27	16%	0.162	S	C	.	.	H	α-helix	trans	-78.7	-11.7	176.8	-68.8	-88.8	179.3	163.3	0	112.9	N732 Y733 I840 R842 W846	N732-K844 PolarHBondContact O-NZ 3.29Å; N732-K844 PolarHBondContact OD1-NZ 3.36Å; Y733-K844 HydrophobicContact CD2-CG 4.2Å; I840-K844 HydrophobicContact CG2-CG 4.13Å; I840-K844 VanDerWaalsContact O-CB 3.3Å; I840-K844 WeakPolarHBondContact O-CB 3.19Å; I840-K844 WeakPolarHBondContact O-CG 3.21Å; I840-K844 PolarHBondContact O-N 3.31Å; R842-K844 PolarHBondContact O-N 3.03Å; K844-W846 HydrophobicContact CB-CB 4.31Å; K844-W846 HydrophobicContact CB-CD2 3.93Å; K844-W846 HydrophobicContact CB-CG 3.76Å; K844-W846 HydrophobicContact CD-CZ2 4.28Å; K844-W846 PolarHBondContact O-N 3.44Å; K844-W846 PolarHBondContact O-NE1 2.76Å
845	R	87.5	Confident	91.8	Very high	141 Å²	141	38 Å²	38	53%	0.532	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.7	-171.3	-51.6	178.1	-174.6	-170.6	-2.3	111.7	H620 L841 R842 N843	H620-R845 PolarHBondContact CD2-NH2 3Å; H620-R845 PolarHBondContact NE2-NH2 3.39Å; H620-R845 VanDerWaalsContact NE2-NH2 3.1Å; L841-R845 WeakPolarHBondContact O-CA 3.21Å; L841-R845 PolarHBondContact O-N 2.81Å; R842-R845 PolarHBondContact O-N 3.06Å; N843-R845 VanDerWaalsContact C-N 3.28Å
846	W	90.3	Very high	91.9	Very high	42 Å²	42	43.4 Å²	43.4	16%	0.159	20%	0.198	C	C	.	.			trans	-99.5	139.2	-178.3	-74.7	8.3	0	0	0	110.8	L729 L841 K844 R850 W851 L854	L729-W846 HydrophobicContact CD1-CE3 4Å; L729-W846 HydrophobicContact CD1-CZ3 3.93Å; L841-W846 HydrophobicContact CD2-CB 3.96Å; L841-W846 PolarHBondContact O-N 3.04Å; K844-W846 HydrophobicContact CB-CB 4.31Å; K844-W846 HydrophobicContact CB-CD2 3.93Å; K844-W846 HydrophobicContact CB-CG 3.76Å; K844-W846 HydrophobicContact CD-CZ2 4.28Å; K844-W846 PolarHBondContact O-N 3.44Å; K844-W846 PolarHBondContact O-NE1 2.76Å; W846-R850 HydrophobicContact CB-CB 4.29Å; W846-R850 HydrophobicContact CB-CG 4.37Å; W846-R850 HydrophobicContact CD2-CB 4.4Å; W846-R850 HydrophobicContact CD2-CG 3.67Å; W846-R850 HydrophobicContact CE3-CG 4.18Å; W846-R850 HydrophobicContact CG-CB 4.19Å; W846-R850 HydrophobicContact CG-CG 3.73Å; W846-W851 HydrophobicContact CE3-CB 4.49Å; W846-L854 HydrophobicContact CH2-CD2 3.73Å; W846-L854 HydrophobicContact CZ3-CD1 4.36Å; W846-L854 HydrophobicContact CZ3-CD2 3.76Å; W846-L854 HydrophobicContact CZ3-CG 4.23Å
847	Q	88.1	Confident	92	Very high	50 Å²	50	45 Å²	45	23%	0.234	21%	0.207	C	C	.	.			trans	-88.2	165.7	162.2	-68.4	-69.7	-10.9	0	0	109.7	F624 H849 R850 W851	F624-Q847 PolarHBondContact O-NE2 3.04Å; Q847-H849 VanDerWaalsContact C-N 3.28Å; Q847-H849 WeakPolarHBondContact CB-CD2 3.24Å; Q847-H849 VanDerWaalsContact CB-NE2 3.28Å; Q847-H849 WeakPolarHBondContact CB-NE2 3.34Å; Q847-H849 PolarHBondContact O-N 2.88Å; Q847-R850 WeakPolarHBondContact O-CB 3.47Å; Q847-R850 PolarHBondContact O-N 3.45Å; Q847-W851 PolarHBondContact O-N 3.07Å
848	I	91.5	Very high	92	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-36.1	-175.8	-166	159.3	0	0	0	113.3	R696 Y711 L721 R850 W851 D852	R696-I848 HydrophobicContact CB-CD1 4.14Å; R696-I848 HydrophobicContact CG-CB 3.8Å; R696-I848 HydrophobicContact CG-CD1 3.87Å; R696-I848 HydrophobicContact CG-CG1 4.41Å; R696-I848 HydrophobicContact CG-CG2 4.08Å; Y711-I848 HydrophobicContact CD1-CB 4.45Å; Y711-I848 HydrophobicContact CD1-CD1 3.78Å; Y711-I848 HydrophobicContact CD1-CG1 3.72Å; Y711-I848 HydrophobicContact CD1-CG2 3.93Å; Y711-I848 HydrophobicContact CD2-CG2 4.27Å; Y711-I848 HydrophobicContact CE1-CG1 4.2Å; Y711-I848 HydrophobicContact CE1-CG2 4.4Å; Y711-I848 HydrophobicContact CG-CD1 4.28Å; Y711-I848 HydrophobicContact CG-CG1 4.42Å; Y711-I848 HydrophobicContact CG-CG2 3.88Å; L721-I848 HydrophobicContact CD1-CD1 4.08Å; L721-I848 HydrophobicContact CD1-CG1 4.06Å; L721-I848 HydrophobicContact CD2-CG1 3.95Å; I848-R850 VanDerWaalsContact C-N 3.25Å; I848-R850 PolarHBondContact O-N 3.42Å; I848-W851 HydrophobicContact CG1-CE3 4.41Å; I848-W851 WeakPolarHBondContact O-CB 3.18Å; I848-W851 PolarHBondContact O-N 2.83Å; I848-D852 PolarHBondContact O-N 3.33Å
849	H	92.3	Very high	92	Very high	88 Å²	88	47.5 Å²	47.5	41%	0.407	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-33.9	176.5	66.8	83.2	0	0	0	112.4	Q847 D852 Q853	Q847-H849 VanDerWaalsContact C-N 3.28Å; Q847-H849 WeakPolarHBondContact CB-CD2 3.24Å; Q847-H849 VanDerWaalsContact CB-NE2 3.28Å; Q847-H849 WeakPolarHBondContact CB-NE2 3.34Å; Q847-H849 PolarHBondContact O-N 2.88Å; H849-D852 PolarHBondContact O-N 3.32Å; H849-Q853 WeakPolarHBondContact O-CB 3.29Å; H849-Q853 WeakPolarHBondContact O-CG 3.39Å; H849-Q853 PolarHBondContact O-N 3.44Å
850	R	93	Very high	92.2	Very high	126 Å²	126	47.9 Å²	47.9	48%	0.475	22%	0.224	S	C	.	.	H	α-helix	trans	-73.2	-36.3	178.6	-177.7	57.9	177.9	177.8	1.8	111.3	W846 Q847 I848	W846-R850 HydrophobicContact CB-CB 4.29Å; W846-R850 HydrophobicContact CB-CG 4.37Å; W846-R850 HydrophobicContact CD2-CB 4.4Å; W846-R850 HydrophobicContact CD2-CG 3.67Å; W846-R850 HydrophobicContact CE3-CG 4.18Å; W846-R850 HydrophobicContact CG-CB 4.19Å; W846-R850 HydrophobicContact CG-CG 3.73Å; Q847-R850 WeakPolarHBondContact O-CB 3.47Å; Q847-R850 PolarHBondContact O-N 3.45Å; I848-R850 VanDerWaalsContact C-N 3.25Å; I848-R850 PolarHBondContact O-N 3.42Å
851	W	95.2	Very high	92.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-44.8	171.4	172.5	20.1	0	0	0	110.9	F709 L721 K725 I726 L729 V837 L841 W846 Q847 I848 Q853 L854	F709-W851 HydrophobicContact CB-CH2 3.8Å; F709-W851 HydrophobicContact CB-CZ3 3.85Å; F709-W851 HydrophobicContact CD1-CH2 4.4Å; F709-W851 HydrophobicContact CD1-CZ3 4.04Å; F709-W851 AromaticContact CD2-CH2 3.67Å; F709-W851 HydrophobicContact CD2-CH2 3.67Å; F709-W851 HydrophobicContact CD2-CZ3 4.15Å; F709-W851 HydrophobicContact CE2-CH2 4.31Å; F709-W851 AromaticContact CG-CH2 3.71Å; F709-W851 HydrophobicContact CG-CH2 3.71Å; F709-W851 AromaticContact CG-CZ3 3.76Å; F709-W851 HydrophobicContact CG-CZ3 3.76Å; L721-W851 HydrophobicContact CB-CH2 4.11Å; L721-W851 HydrophobicContact CB-CZ2 4.12Å; L721-W851 HydrophobicContact CB-CZ3 4.44Å; L721-W851 HydrophobicContact CD2-CB 4.33Å; L721-W851 HydrophobicContact CD2-CD2 3.29Å; L721-W851 HydrophobicContact CD2-CE3 3.42Å; L721-W851 VanDerWaalsContact CD2-CE3 3.42Å; L721-W851 HydrophobicContact CD2-CG 3.74Å; L721-W851 HydrophobicContact CD2-CH2 4.17Å; L721-W851 HydrophobicContact CD2-CZ2 4.07Å; L721-W851 HydrophobicContact CD2-CZ3 3.86Å; K725-W851 HydrophobicContact CB-CZ2 4.12Å; K725-W851 PolarHBondContact O-NE1 3.03Å; I726-W851 HydrophobicContact CG1-CH2 4.07Å; I726-W851 HydrophobicContact CG1-CZ2 3.89Å; L729-W851 HydrophobicContact CB-CZ2 4.47Å; L729-W851 HydrophobicContact CD1-CG 4.14Å; L729-W851 HydrophobicContact CD2-CD2 3.86Å; L729-W851 HydrophobicContact CD2-CE3 4.23Å; L729-W851 HydrophobicContact CD2-CG 4.25Å; L729-W851 HydrophobicContact CD2-CH2 4.44Å; L729-W851 HydrophobicContact CD2-CZ2 4.09Å; V837-W851 HydrophobicContact CG1-CE3 4.33Å; V837-W851 HydrophobicContact CG1-CH2 3.85Å; V837-W851 HydrophobicContact CG1-CZ3 3.61Å; V837-W851 HydrophobicContact CG2-CH2 4.39Å; L841-W851 HydrophobicContact CD1-CE3 4.24Å; L841-W851 HydrophobicContact CD2-CB 4.15Å; L841-W851 HydrophobicContact CD2-CE3 4.29Å; W846-W851 HydrophobicContact CE3-CB 4.49Å; Q847-W851 PolarHBondContact O-N 3.07Å; I848-W851 HydrophobicContact CG1-CE3 4.41Å; I848-W851 WeakPolarHBondContact O-CB 3.18Å; I848-W851 PolarHBondContact O-N 2.83Å; W851-Q853 VanDerWaalsContact C-N 3.25Å; W851-Q853 PolarHBondContact O-N 3.25Å; W851-L854 WeakPolarHBondContact O-CB 3.48Å; W851-L854 VanDerWaalsContact O-CG 3.26Å; W851-L854 WeakPolarHBondContact O-CG 3.37Å; W851-L854 PolarHBondContact O-N 3.23Å; W851-L854 VanDerWaalsContact O-N 3.12Å
852	D	95.7	Very high	92.1	Very high	24 Å²	24	55.4 Å²	55.4	13%	0.128	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-35.5	178.3	-167.1	19.9	0	0	0	112.2	Y711 H719 L721 K725 I848 H849 L854 Y855	Y711-D852 HydrophobicContact CE1-CB 4.08Å; Y711-D852 PolarHBondContact OH-OD2 2.59Å; H719-D852 IonicContact CG-OD2 3.63Å; H719-D852 IonicContact ND1-OD2 2.78Å; H719-D852 PolarHBondContact ND1-OD2 2.79Å; L721-D852 HydrophobicContact CD2-CB 4.17Å; K725-D852 PolarHBondContact NZ-O 2.99Å; K725-D852 IonicContact NZ-OD1 3.11Å; K725-D852 PolarHBondContact NZ-OD1 3.2Å; I848-D852 PolarHBondContact O-N 3.33Å; H849-D852 PolarHBondContact O-N 3.32Å; D852-L854 PolarHBondContact O-N 3.07Å; D852-L854 VanDerWaalsContact O-N 3.11Å; D852-Y855 VanDerWaalsContact O-O 3.05Å
853	Q	95.1	Very high	92.3	Very high	120 Å²	120	55 Å²	55	56%	0.561	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.2	176.6	-76.3	169	6.5	0	0	115.8	H849 W851 Y855	H849-Q853 WeakPolarHBondContact O-CB 3.29Å; H849-Q853 WeakPolarHBondContact O-CG 3.39Å; H849-Q853 PolarHBondContact O-N 3.44Å; W851-Q853 VanDerWaalsContact C-N 3.25Å; W851-Q853 PolarHBondContact O-N 3.25Å; Q853-Y855 PolarHBondContact O-N 3.42Å
854	L	95.5	Very high	92.6	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.105	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.8	175.6	-74.1	-174.4	0	0	0	111.8	A728 Y762 W846 W851 D852	A728-L854 HydrophobicContact CB-CD1 4.28Å; Y762-L854 WeakPolarHBondContact CD2-O 3.35Å; Y762-L854 HydrophobicContact CE1-CB 4.36Å; Y762-L854 HydrophobicContact CE1-CD1 4.34Å; Y762-L854 HydrophobicContact CE2-CB 4.21Å; Y762-L854 HydrophobicContact CE2-CD2 4.41Å; Y762-L854 VanDerWaalsContact CE2-O 3.3Å; Y762-L854 WeakPolarHBondContact CE2-O 3.35Å; Y762-L854 VanDerWaalsContact OH-CD2 3.32Å; Y762-L854 WeakPolarHBondContact OH-CD2 3.34Å; W846-L854 HydrophobicContact CH2-CD2 3.73Å; W846-L854 HydrophobicContact CZ3-CD1 4.36Å; W846-L854 HydrophobicContact CZ3-CD2 3.76Å; W846-L854 HydrophobicContact CZ3-CG 4.23Å; W851-L854 WeakPolarHBondContact O-CB 3.48Å; W851-L854 VanDerWaalsContact O-CG 3.26Å; W851-L854 WeakPolarHBondContact O-CG 3.37Å; W851-L854 PolarHBondContact O-N 3.23Å; W851-L854 VanDerWaalsContact O-N 3.12Å; D852-L854 PolarHBondContact O-N 3.07Å; D852-L854 VanDerWaalsContact O-N 3.11Å
855	Y	96	Very high	92.8	Very high	14 Å²	14	56 Å²	56	6%	0.055	26%	0.262	C	S	.	.			trans	-162.6	156.4	170.4	60.6	-86.8	0	0	0	109.6	D724 K725 A728 N758 A759 Y762 D852 Q853 D857	D724-Y855 VanDerWaalsContact C-OH 3.25Å; D724-Y855 WeakPolarHBondContact CB-OH 3.39Å; D724-Y855 PolarHBondContact O-OH 3.47Å; K725-Y855 HydrophobicContact CD-CE1 4.06Å; K725-Y855 HydrophobicContact CD-CE2 4.37Å; K725-Y855 PolarHBondContact N-OH 2.78Å; K725-Y855 PolarHBondContact NZ-O 2.77Å; A728-Y855 HydrophobicContact CB-CD1 4.44Å; A728-Y855 HydrophobicContact CB-CE1 3.63Å; N758-Y855 HydrophobicContact CB-CD2 4.17Å; A759-Y855 HydrophobicContact CB-CD2 4.47Å; A759-Y855 HydrophobicContact CB-CE1 4.28Å; A759-Y855 HydrophobicContact CB-CE2 3.59Å; A759-Y855 VanDerWaalsContact CB-CZ 3.47Å; A759-Y855 VanDerWaalsContact CB-OH 3.29Å; A759-Y855 WeakPolarHBondContact CB-OH 3.36Å; Y762-Y855 AromaticContact CD1-CD1 3.76Å; Y762-Y855 HydrophobicContact CD1-CD1 3.76Å; Y762-Y855 HydrophobicContact CD1-CE1 4.19Å; Y762-Y855 HydrophobicContact CD2-CD1 4.35Å; Y762-Y855 HydrophobicContact CE1-CD1 4.45Å; Y762-Y855 AromaticContact CG-CD1 3.7Å; Y762-Y855 HydrophobicContact CG-CD1 3.7Å; Y762-Y855 HydrophobicContact CG-CG 4.3Å; D852-Y855 VanDerWaalsContact O-O 3.05Å; Q853-Y855 PolarHBondContact O-N 3.42Å; Y855-D857 VanDerWaalsContact CE2-OD1 3.32Å; Y855-D857 WeakPolarHBondContact CE2-OD1 3.42Å
856	T	94.9	Very high	92.8	Very high	114 Å²	114	58.1 Å²	58.1	70%	0.699	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-95.4	129.5	173.3	-56.1	0	0	0	0	109.9	N758	N758-T856 VanDerWaalsContact CB-O 3.28Å; N758-T856 WeakPolarHBondContact CB-O 3.43Å; N758-T856 PolarHBondContact ND2-O 2.85Å
857	D	94.2	Very high	92.6	Very high	41 Å²	41	57 Å²	57	22%	0.219	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-62.2	142.1	175.8	-89.8	-15.9	0	0	0	112.2	N756 Y855	N756-D857 WeakPolarHBondContact CB-OD1 3.42Å; N756-D857 VanDerWaalsContact CG-OD1 3.24Å; N756-D857 PolarHBondContact ND2-OD1 3.27Å; Y855-D857 VanDerWaalsContact CE2-OD1 3.32Å; Y855-D857 WeakPolarHBondContact CE2-OD1 3.42Å
858	I	94.7	Very high	92.3	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.062	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-67.2	131.6	163.5	-54.7	177.3	0	0	0	107.9	N756 N758 N860 E920 A921	N756-I858 PolarHBondContact ND2-N 3.19Å; N756-I858 PolarHBondContact ND2-O 3.04Å; N756-I858 PolarHBondContact OD1-N 3.12Å; N758-I858 HydrophobicContact CB-CG1 4.06Å; N758-I858 VanDerWaalsContact CG-CG1 3.44Å; N758-I858 WeakPolarHBondContact ND2-CG1 3.49Å; I858-N860 PolarHBondContact O-N 2.83Å; I858-N860 PolarHBondContact O-ND2 2.88Å; I858-E920 HydrophobicContact CB-CB 4.29Å; I858-E920 HydrophobicContact CG2-CB 3.83Å; I858-E920 HydrophobicContact CG2-CG 4.35Å; I858-A921 WeakPolarHBondContact CG2-O 3.46Å
859	P	93.7	Very high	91.7	Very high	40 Å²	40	59.5 Å²	59.5	26%	0.26	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-48.5	127.9	171.8	-28.9	34.7	0	0	0	111.5	E920 A921 Q924	P859-E920 CarbonylContact O-C 3.47Å; P859-E920 VanDerWaalsContact O-CA 3.22Å; P859-E920 WeakPolarHBondContact O-CA 3.12Å; P859-A921 WeakPolarHBondContact CD-O 3.29Å; P859-A921 PolarHBondContact O-N 3.37Å; P859-Q924 HydrophobicContact CB-CB 4.25Å
860	N	93.8	Very high	91.4	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.059	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.7	-170.1	63.4	79.6	0	0	0	112.6	K679 N756 I858 Y918 T919 E920 Q924	K679-N860 PolarHBondContact NZ-O 2.82Å; K679-N860 PolarHBondContact NZ-OD1 2.83Å; N756-N860 PolarHBondContact ND2-ND2 3.24Å; I858-N860 PolarHBondContact O-N 2.83Å; I858-N860 PolarHBondContact O-ND2 2.88Å; N860-Y918 HydrophobicContact CB-CE2 3.96Å; N860-T919 CarbonylContact C-O 3.54Å; N860-T919 WeakPolarHBondContact CA-O 3.49Å; N860-T919 WeakPolarHBondContact CB-O 3.41Å; N860-E920 HydrophobicContact CB-CB 4.11Å; N860-Q924 PolarHBondContact O-NE2 3.41Å; N860-Q924 VanDerWaalsContact O-NE2 3.09Å; N860-Q924 PolarHBondContact O-OE1 2.89Å
861	K	91.9	Very high	90.8	Very high	82 Å²	82	59 Å²	59	36%	0.357	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135	177.6	-173.9	62.5	173.5	177.6	0	110.3	I863 Y918 T919 N928 A931	K861-I863 HydrophobicContact CG-CG2 4.07Å; K861-Y918 CarbonylContact O-C 3.59Å; K861-Y918 WeakPolarHBondContact O-CA 3.32Å; K861-T919 PolarHBondContact N-O 2.94Å; K861-T919 PolarHBondContact O-N 3.15Å; K861-T919 PolarHBondContact O-OG1 3.46Å; K861-N928 WeakPolarHBondContact CD-OD1 3.38Å; K861-A931 HydrophobicContact CB-CB 4.32Å; K861-A931 HydrophobicContact CG-CB 4.04Å
862	L	91.4	Very high	90.4	Very high	76 Å²	76	60.3 Å²	60.3	40%	0.398	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.4	168.3	-179.2	66.4	0	0	0	108.3	Y754 R916 V917	Y754-L862 HydrophobicContact CD1-CD1 4.25Å; Y754-L862 HydrophobicContact CE1-CD1 3.7Å; L862-R916 HydrophobicContact CD1-CB 4.4Å; L862-V917 WeakPolarHBondContact CA-O 3.45Å
863	I	91.4	Very high	90.2	Very high	29 Å²	29	59.3 Å²	59.3	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.6	171.7	60.5	173.9	0	0	0	110.1	K861 R916 V917 A931 Q935	K861-I863 HydrophobicContact CG-CG2 4.07Å; I863-R916 WeakPolarHBondContact O-CA 3.04Å; I863-V917 HydrophobicContact CD1-CB 4.13Å; I863-V917 HydrophobicContact CD1-CG1 4.42Å; I863-V917 HydrophobicContact CG1-CB 3.72Å; I863-V917 HydrophobicContact CG1-CG1 4.31Å; I863-V917 PolarHBondContact N-O 2.73Å; I863-V917 PolarHBondContact O-N 3.13Å; I863-A931 HydrophobicContact CD1-CB 3.91Å; I863-A931 WeakPolarHBondContact CD1-O 3.35Å; I863-A931 HydrophobicContact CG1-CB 4.31Å; I863-A931 HydrophobicContact CG2-CB 4.32Å; I863-Q935 HydrophobicContact CD1-CB 3.67Å; I863-Q935 HydrophobicContact CD1-CG 4.34Å
864	K	91.1	Very high	89.9	Confident	126 Å²	126	61 Å²	61	55%	0.548	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139	174.2	63.8	-177.9	-179.3	-179.2	0	109.8	V915 R916	K864-V915 WeakPolarHBondContact CA-O 3.01Å; K864-R916 HydrophobicContact CB-CG 4.46Å
865	F	91.2	Very high	89.8	Confident	17 Å²	17	62 Å²	62	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.7	176.6	56.6	-87.5	0	0	0	111.5	V867 V914 V915 V917 Q935 T938 V939	F865-V867 HydrophobicContact CD2-CG1 3.84Å; F865-V867 HydrophobicContact CE2-CG1 3.72Å; F865-V914 CarbonylContact O-C 3.58Å; F865-V914 VanDerWaalsContact O-CA 3.23Å; F865-V914 WeakPolarHBondContact O-CA 3.47Å; F865-V914 VanDerWaalsContact O-CB 3.26Å; F865-V914 WeakPolarHBondContact O-CB 3.45Å; F865-V915 HydrophobicContact CD2-CB 4.46Å; F865-V915 HydrophobicContact CE1-CB 4.25Å; F865-V915 HydrophobicContact CE1-CG1 4.14Å; F865-V915 HydrophobicContact CE2-CB 3.85Å; F865-V915 HydrophobicContact CE2-CG1 4.27Å; F865-V915 HydrophobicContact CE2-CG2 4.49Å; F865-V915 HydrophobicContact CZ-CB 3.73Å; F865-V915 HydrophobicContact CZ-CG1 3.67Å; F865-V915 PolarHBondContact N-O 3.45Å; F865-V915 VanDerWaalsContact N-O 3.09Å; F865-V915 PolarHBondContact O-N 3.34Å; F865-V917 HydrophobicContact CE1-CG2 3.66Å; F865-V917 HydrophobicContact CZ-CG2 4.22Å; F865-Q935 HydrophobicContact CD1-CB 4.32Å; F865-Q935 HydrophobicContact CD1-CG 3.66Å; F865-Q935 HydrophobicContact CE1-CB 3.99Å; F865-Q935 HydrophobicContact CE1-CG 3.7Å; F865-Q935 HydrophobicContact CG-CG 4.08Å; F865-Q935 HydrophobicContact CZ-CG 4.17Å; F865-T938 HydrophobicContact CE2-CG2 4.34Å; F865-T938 HydrophobicContact CZ-CG2 3.9Å; F865-V939 HydrophobicContact CD2-CG2 3.84Å; F865-V939 HydrophobicContact CE2-CG2 3.62Å; F865-V939 HydrophobicContact CZ-CG2 4.41Å
866	K	88.5	Confident	89.5	Confident	185 Å²	185	64.9 Å²	64.9	80%	0.804	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	146.1	177.9	-69.7	-178.6	178.9	-178.7	0	110.2	V914	K866-V914 HydrophobicContact CG-CG1 3.96Å
867	V	85.5	Confident	89.2	Confident	20 Å²	20	62.3 Å²	62.3	12%	0.121	30%	0.304	C	S	.	.			trans	-133.6	152.1	176.3	-67.1	0	0	0	0	108.6	F865 R870 N913 V915 M942	F865-V867 HydrophobicContact CD2-CG1 3.84Å; F865-V867 HydrophobicContact CE2-CG1 3.72Å; V867-R870 HydrophobicContact CG2-CB 3.8Å; V867-N913 PolarHBondContact O-ND2 3.49Å; V867-V915 HydrophobicContact CB-CG2 4.47Å; V867-V915 HydrophobicContact CG1-CB 4.29Å; V867-V915 HydrophobicContact CG1-CG2 3.73Å; V867-V915 HydrophobicContact CG2-CG2 3.93Å; V867-M942 HydrophobicContact CB-CE 3.77Å; V867-M942 HydrophobicContact CB-SD 4.33Å; V867-M942 HydrophobicContact CG1-CE 3.92Å; V867-M942 HydrophobicContact CG1-SD 3.8Å; V867-M942 HydrophobicContact CG2-CE 3.92Å
868	A	80.8	Confident	88.9	Confident	76 Å²	76	62.2 Å²	62.2	63%	0.628	31%	0.306	S	S	*	.	S	Bend	trans	-65.3	-47	179.2	0	0	0	0	0	111.4
869	D	80.8	Confident	88.5	Confident	29 Å²	29	63 Å²	63	16%	0.155	31%	0.309	C	S	.	.			trans	-136.6	105.4	172.7	-172.1	-3.4	0	0	0	112.1	R871 L872 M942	D869-R871 VanDerWaalsContact CG-NE 3.34Å; D869-R871 PolarHBondContact O-N 3.14Å; D869-R871 WeakPolarHBondContact OD1-CB 3.4Å; D869-R871 WeakPolarHBondContact OD1-CG 3.41Å; D869-R871 IonicContact OD1-CZ 3.59Å; D869-R871 PolarHBondContact OD1-N 3.45Å; D869-R871 IonicContact OD1-NE 3.74Å; D869-R871 PolarHBondContact OD1-NE 3.07Å; D869-R871 IonicContact OD1-NH2 3.34Å; D869-R871 IonicContact OD2-CZ 3.51Å; D869-R871 VanDerWaalsContact OD2-CZ 3.24Å; D869-R871 IonicContact OD2-NE 2.66Å; D869-R871 PolarHBondContact OD2-NE 3.25Å; D869-R871 IonicContact OD2-NH2 3.28Å; D869-R871 PolarHBondContact OD2-NH2 3.25Å; D869-L872 HydrophobicContact CB-CD1 4.14Å; D869-L872 HydrophobicContact CB-CG 4.21Å; D869-L872 PolarHBondContact O-N 2.8Å; D869-M942 WeakPolarHBondContact O-CE 3.26Å
870	R	84.3	Confident	88.3	Confident	51 Å²	51	66.4 Å²	66.4	19%	0.192	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20.9	177.1	69.4	176	176.1	-178.6	5.8	114	V867 L872 L873 P908 S909 G910 E912 N913	V867-R870 HydrophobicContact CG2-CB 3.8Å; R870-L872 PolarHBondContact O-N 3.34Å; R870-L873 PolarHBondContact O-N 3.04Å; R870-L873 VanDerWaalsContact O-N 3.13Å; R870-P908 HydrophobicContact CB-CB 4.08Å; R870-S909 PolarHBondContact NH1-O 2.92Å; R870-G910 PolarHBondContact NH1-O 2.76Å; R870-G910 VanDerWaalsContact NH1-O 3.15Å; R870-E912 PolarHBondContact NH1-O 3.25Å; R870-N913 WeakPolarHBondContact CB-OD1 3.46Å; R870-N913 WeakPolarHBondContact CG-OD1 3.46Å
871	R	81.9	Confident	88.1	Confident	153 Å²	153	73.9 Å²	73.9	58%	0.577	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.1	-175.8	-60.3	174.1	-65.7	177.6	1	113.3	D869 L873	D869-R871 VanDerWaalsContact CG-NE 3.34Å; D869-R871 PolarHBondContact O-N 3.14Å; D869-R871 WeakPolarHBondContact OD1-CB 3.4Å; D869-R871 WeakPolarHBondContact OD1-CG 3.41Å; D869-R871 IonicContact OD1-CZ 3.59Å; D869-R871 PolarHBondContact OD1-N 3.45Å; D869-R871 IonicContact OD1-NE 3.74Å; D869-R871 PolarHBondContact OD1-NE 3.07Å; D869-R871 IonicContact OD1-NH2 3.34Å; D869-R871 IonicContact OD2-CZ 3.51Å; D869-R871 VanDerWaalsContact OD2-CZ 3.24Å; D869-R871 IonicContact OD2-NE 2.66Å; D869-R871 PolarHBondContact OD2-NE 3.25Å; D869-R871 IonicContact OD2-NH2 3.28Å; D869-R871 PolarHBondContact OD2-NH2 3.25Å; R871-L873 PolarHBondContact O-N 3.34Å
872	L	86.5	Confident	88.1	Confident	26 Å²	26	70.7 Å²	70.7	14%	0.136	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-69.7	-24	176.3	-58.5	176.3	0	0	0	112	D869 R870 H884 M942 A945 Q946 L949	D869-L872 HydrophobicContact CB-CD1 4.14Å; D869-L872 HydrophobicContact CB-CG 4.21Å; D869-L872 PolarHBondContact O-N 2.8Å; R870-L872 PolarHBondContact O-N 3.34Å; L872-H884 CarbonylContact O-C 3.56Å; L872-H884 WeakPolarHBondContact O-CB 3.23Å; L872-M942 HydrophobicContact CB-CE 4.28Å; L872-A945 HydrophobicContact CD1-CB 4.47Å; L872-Q946 HydrophobicContact CD1-CB 4.46Å; L872-Q946 HydrophobicContact CD1-CG 3.24Å; L872-L949 HydrophobicContact CD2-CD1 3.29Å
873	L	90.3	Very high	88.1	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	33%	0.329	C	S	.	.			trans	-88.3	114.7	173.8	-169.5	73.9	0	0	0	109.4	R870 R871 V882 H884 L888 V906 P908 V915 T938 M942	R870-L873 PolarHBondContact O-N 3.04Å; R870-L873 VanDerWaalsContact O-N 3.13Å; R871-L873 PolarHBondContact O-N 3.34Å; L873-V882 HydrophobicContact CD1-CG1 3.83Å; L873-V882 HydrophobicContact CD1-CG2 4.4Å; L873-H884 WeakPolarHBondContact CA-O 3.45Å; L873-L888 HydrophobicContact CD1-CD2 3.99Å; L873-V906 HydrophobicContact CD1-CG1 4.3Å; L873-V906 HydrophobicContact CD2-CG1 4.03Å; L873-P908 HydrophobicContact CD2-CB 4.45Å; L873-V915 HydrophobicContact CD2-CB 4.27Å; L873-V915 HydrophobicContact CD2-CG1 3.56Å; L873-V915 HydrophobicContact CD2-CG2 3.67Å; L873-T938 HydrophobicContact CD1-CG2 4.42Å; L873-M942 HydrophobicContact CB-CE 4.37Å; L873-M942 HydrophobicContact CB-SD 4.41Å
874	R	90.6	Very high	88.1	Confident	154 Å²	154	71.5 Å²	71.5	58%	0.581	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.3	177.1	-61	-179	-178.4	-179.2	-1.1	110.2	T883 H884	R874-T883 WeakPolarHBondContact CB-OG1 3.04Å; R874-T883 PolarHBondContact O-N 3.3Å; R874-T883 PolarHBondContact O-OG1 3.25Å; R874-H884 HydrophobicContact CB-CB 4.05Å; R874-H884 HydrophobicContact CG-CB 4.27Å; R874-H884 PolarHBondContact N-O 3.5Å; R874-H884 PolarHBondContact O-N 2.94Å
875	T	91.7	Very high	88.1	Confident	42 Å²	42	66 Å²	66	26%	0.258	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.1	-175.4	57.4	0	0	0	0	112	R881 V906 R907	T875-R881 CarbonylContact C-O 3.57Å; T875-R881 WeakPolarHBondContact CA-O 3.49Å; T875-R881 WeakPolarHBondContact CB-O 3.42Å; T875-V906 WeakPolarHBondContact CG2-O 3.24Å; T875-R907 HydrophobicContact CG2-CB 4.2Å
876	T	90.3	Very high	88	Confident	75 Å²	75	75.8 Å²	75.8	46%	0.46	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	178.1	172.9	-168.8	0	0	0	0	109.7	E879 R880 R881 T883	T876-E879 PolarHBondContact O-N 3.35Å; T876-R880 PolarHBondContact O-N 3.5Å; T876-R881 HydrophobicContact CG2-CB 3.82Å; T876-R881 PolarHBondContact N-O 2.76Å; T876-R881 PolarHBondContact O-N 3.3Å; T876-T883 HydrophobicContact CG2-CG2 3.52Å
877	D	89	Confident	88.1	Confident	60 Å²	60	68.9 Å²	68.9	32%	0.321	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	54.9	173.8	-172.9	30.6	0	0	0	113.5	E879 R880 R881	D877-E879 VanDerWaalsContact C-N 3.28Å; D877-E879 PolarHBondContact O-N 2.97Å; D877-R880 VanDerWaalsContact CG-NH2 3.3Å; D877-R880 VanDerWaalsContact O-CB 3.25Å; D877-R880 WeakPolarHBondContact O-CB 3.42Å; D877-R880 VanDerWaalsContact O-CG 3.29Å; D877-R880 WeakPolarHBondContact O-CG 3.37Å; D877-R880 PolarHBondContact O-N 3.44Å; D877-R880 VanDerWaalsContact O-N 3.13Å; D877-R880 PolarHBondContact O-NE 3.44Å; D877-R880 IonicContact OD1-CZ 2.77Å; D877-R880 IonicContact OD1-NE 3.5Å; D877-R880 IonicContact OD1-NH2 3Å; D877-R880 PolarHBondContact OD1-NH2 2.95Å; D877-R880 IonicContact OD2-CZ 3.65Å; D877-R880 IonicContact OD2-NE 3.86Å; D877-R880 PolarHBondContact OD2-NE 2.92Å; D877-R880 IonicContact OD2-NH2 3.35Å; D877-R880 PolarHBondContact OD2-NH2 3.38Å; D877-R881 HydrophobicContact CB-CG 4.32Å; D877-R881 IonicContact OD2-NE 3.28Å
878	C	87.3	Confident	88.5	Confident	38 Å²	38	68.1 Å²	68.1	26%	0.257	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	42.5	-175	-56.8	0	0	0	0	112.9	C773 R880	C773-C878 PolarHBondContact O-SG 3.09Å; C878-R880 PolarHBondContact O-N 2.78Å
879	E	86.6	Confident	89	Confident	28 Å²	28	66.3 Å²	66.3	13%	0.131	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	8.8	-178.7	-49.9	-178.7	115.2	0	0	115.2	P775 T776 T876 D877 R907	P775-E879 HydrophobicContact CB-CG 4.25Å; T776-E879 VanDerWaalsContact CB-OE2 3.23Å; T776-E879 WeakPolarHBondContact CB-OE2 3.39Å; T776-E879 PolarHBondContact N-OE2 3.2Å; T776-E879 PolarHBondContact OG1-OE2 3.44Å; T876-E879 PolarHBondContact O-N 3.35Å; D877-E879 VanDerWaalsContact C-N 3.28Å; D877-E879 PolarHBondContact O-N 2.97Å; E879-R907 HydrophobicContact CB-CB 4.49Å; E879-R907 IonicContact OE1-CZ 3.79Å; E879-R907 IonicContact OE1-NE 3.85Å; E879-R907 PolarHBondContact OE1-NE 3.47Å; E879-R907 IonicContact OE1-NH2 2.79Å; E879-R907 PolarHBondContact OE1-NH2 3.18Å; E879-R907 WeakPolarHBondContact OE2-CD 3.32Å; E879-R907 IonicContact OE2-CZ 3.75Å; E879-R907 IonicContact OE2-NE 3.49Å; E879-R907 PolarHBondContact OE2-NE 3.27Å
880	R	88.8	Confident	89.6	Confident	113 Å²	113	71 Å²	71	43%	0.426	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.1	-179.3	-63.6	-178.5	-69.2	-175.3	-2.5	113.8	A753 T876 D877 C878	A753-R880 HydrophobicContact CB-CG 3.73Å; T876-R880 PolarHBondContact O-N 3.5Å; D877-R880 VanDerWaalsContact CG-NH2 3.3Å; D877-R880 VanDerWaalsContact O-CB 3.25Å; D877-R880 WeakPolarHBondContact O-CB 3.42Å; D877-R880 VanDerWaalsContact O-CG 3.29Å; D877-R880 WeakPolarHBondContact O-CG 3.37Å; D877-R880 PolarHBondContact O-N 3.44Å; D877-R880 VanDerWaalsContact O-N 3.13Å; D877-R880 PolarHBondContact O-NE 3.44Å; D877-R880 IonicContact OD1-CZ 2.77Å; D877-R880 IonicContact OD1-NE 3.5Å; D877-R880 IonicContact OD1-NH2 3Å; D877-R880 PolarHBondContact OD1-NH2 2.95Å; D877-R880 IonicContact OD2-CZ 3.65Å; D877-R880 IonicContact OD2-NE 3.86Å; D877-R880 PolarHBondContact OD2-NE 2.92Å; D877-R880 IonicContact OD2-NH2 3.35Å; D877-R880 PolarHBondContact OD2-NH2 3.38Å; C878-R880 PolarHBondContact O-N 2.78Å
881	R	89.6	Confident	90.1	Very high	168 Å²	168	73.1 Å²	73.1	63%	0.634	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	130.7	-176.7	-64.2	-176.3	-177.5	-166	-2.1	111.4	T875 T876 D877	T875-R881 CarbonylContact C-O 3.57Å; T875-R881 WeakPolarHBondContact CA-O 3.49Å; T875-R881 WeakPolarHBondContact CB-O 3.42Å; T876-R881 HydrophobicContact CG2-CB 3.82Å; T876-R881 PolarHBondContact N-O 2.76Å; T876-R881 PolarHBondContact O-N 3.3Å; D877-R881 HydrophobicContact CB-CG 4.32Å; D877-R881 IonicContact OD2-NE 3.28Å
882	V	92.4	Very high	90.6	Very high	14 Å²	14	66.5 Å²	66.5	9%	0.085	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.2	170.6	-178.8	0	0	0	0	109.2	L873 H884 L888 A889 I892 V906	L873-V882 HydrophobicContact CD1-CG1 3.83Å; L873-V882 HydrophobicContact CD1-CG2 4.4Å; V882-H884 VanDerWaalsContact CG1-O 3.26Å; V882-H884 WeakPolarHBondContact CG1-O 3.46Å; V882-L888 HydrophobicContact CG1-CB 4.46Å; V882-L888 HydrophobicContact CG1-CD2 4.05Å; V882-L888 HydrophobicContact CG1-CG 4.36Å; V882-A889 WeakPolarHBondContact O-CB 3.44Å; V882-I892 HydrophobicContact CG2-CD1 4.17Å; V882-V906 HydrophobicContact CG2-CB 3.76Å; V882-V906 HydrophobicContact CG2-CG1 4.28Å
883	T	91.9	Very high	91	Very high	56 Å²	56	68.1 Å²	68.1	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-32.7	173.7	61	0	0	0	0	112.4	R874 T876	R874-T883 WeakPolarHBondContact CB-OG1 3.04Å; R874-T883 PolarHBondContact O-N 3.3Å; R874-T883 PolarHBondContact O-OG1 3.25Å; T876-T883 HydrophobicContact CG2-CG2 3.52Å
884	H	90.8	Very high	91.2	Very high	66 Å²	66	75.1 Å²	75.1	31%	0.306	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.4	178.7	-62.5	72.7	0	0	0	109.2	L872 L873 R874 V882	L872-H884 CarbonylContact O-C 3.56Å; L872-H884 WeakPolarHBondContact O-CB 3.23Å; L873-H884 WeakPolarHBondContact CA-O 3.45Å; R874-H884 HydrophobicContact CB-CB 4.05Å; R874-H884 HydrophobicContact CG-CB 4.27Å; R874-H884 PolarHBondContact N-O 3.5Å; R874-H884 PolarHBondContact O-N 2.94Å; V882-H884 VanDerWaalsContact CG1-O 3.26Å; V882-H884 WeakPolarHBondContact CG1-O 3.46Å
885	P	91.2	Very high	91.4	Very high	12 Å²	12	68.7 Å²	68.7	8%	0.078	34%	0.344	C	S	.	.	S	Bend	cis	-63.1	148.4	-3	-22.4	34.3	0	0	0	113.9	L888 A941 M942 A945	P885-L888 WeakPolarHBondContact O-CB 3.34Å; P885-L888 PolarHBondContact O-N 2.91Å; P885-A941 HydrophobicContact CB-CB 4.13Å; P885-A941 HydrophobicContact CG-CB 4.12Å; P885-A941 WeakPolarHBondContact CG-O 3.35Å; P885-M942 HydrophobicContact CG-CG 4.09Å; P885-A945 HydrophobicContact CB-CB 4.18Å; P885-A945 HydrophobicContact CG-CB 4.04Å
886	R	89.6	Confident	91.5	Very high	222 Å²	222	68.3 Å²	68.3	84%	0.838	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	139.4	179.8	-68.4	-175.8	-179.4	177.1	0	110.2	L888	R886-L888 VanDerWaalsContact C-N 3.33Å
887	G	90.4	Very high	91.7	Very high	39 Å²	39	69.2 Å²	69.2	40%	0.402	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-19	-177.4	0	0	0	0	0	114.8	E890 H891	G887-E890 WeakPolarHBondContact CA-OE2 3.25Å; G887-E890 PolarHBondContact N-OE2 3.33Å; G887-H891 PolarHBondContact O-N 2.99Å
888	L	93	Very high	91.9	Very high	5 Å²	5	71.9 Å²	71.9	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-68.3	-37	179.8	-179.6	56	0	0	0	111.7	L873 V882 P885 R886 H891 I892 A937 T938 A941	L873-L888 HydrophobicContact CD1-CD2 3.99Å; V882-L888 HydrophobicContact CG1-CB 4.46Å; V882-L888 HydrophobicContact CG1-CD2 4.05Å; V882-L888 HydrophobicContact CG1-CG 4.36Å; P885-L888 WeakPolarHBondContact O-CB 3.34Å; P885-L888 PolarHBondContact O-N 2.91Å; R886-L888 VanDerWaalsContact C-N 3.33Å; L888-H891 PolarHBondContact O-N 2.81Å; L888-I892 HydrophobicContact CD1-CD1 4.06Å; L888-I892 HydrophobicContact CD1-CG1 4.18Å; L888-I892 HydrophobicContact CG-CD1 3.88Å; L888-I892 HydrophobicContact CG-CG1 4.47Å; L888-I892 VanDerWaalsContact O-CG1 3.28Å; L888-I892 WeakPolarHBondContact O-CG1 3.41Å; L888-I892 PolarHBondContact O-N 3Å; L888-A937 HydrophobicContact CD1-CB 4.15Å; L888-T938 HydrophobicContact CD2-CG2 4.08Å; L888-A941 HydrophobicContact CB-CB 4.26Å; L888-A941 HydrophobicContact CD1-CB 4.24Å; L888-A941 HydrophobicContact CD2-CB 4.29Å; L888-A941 HydrophobicContact CG-CB 4.5Å
889	A	92.8	Very high	92.1	Very high	37 Å²	37	71.8 Å²	71.8	31%	0.306	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-43.6	-179.9	0	0	0	0	0	112.2	V882 H891 I892 A893	V882-A889 WeakPolarHBondContact O-CB 3.44Å; A889-H891 VanDerWaalsContact C-N 3.33Å; A889-I892 PolarHBondContact O-N 3.14Å; A889-A893 WeakPolarHBondContact O-CB 3.42Å; A889-A893 PolarHBondContact O-N 3.42Å
890	E	93.4	Very high	92.3	Very high	129 Å²	129	78 Å²	78	60%	0.603	38%	0.384	S	S	*	.	H	α-helix	trans	-65.2	-38.8	177	-63	81.6	176.2	0	0	111.1	G887 A893 K894	G887-E890 WeakPolarHBondContact CA-OE2 3.25Å; G887-E890 PolarHBondContact N-OE2 3.33Å; E890-A893 PolarHBondContact O-N 3.48Å; E890-K894 PolarHBondContact O-N 2.85Å
891	H	93.5	Very high	92.3	Very high	95 Å²	95	77.4 Å²	77.4	44%	0.44	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-46.6	174.9	-161.2	117.3	0	0	0	111.5	G887 L888 A889 A893 K894 L895	G887-H891 PolarHBondContact O-N 2.99Å; L888-H891 PolarHBondContact O-N 2.81Å; A889-H891 VanDerWaalsContact C-N 3.33Å; H891-A893 VanDerWaalsContact C-N 3.33Å; H891-A893 PolarHBondContact O-N 3.33Å; H891-K894 WeakPolarHBondContact O-CB 3.46Å; H891-K894 PolarHBondContact O-N 3.45Å; H891-L895 WeakPolarHBondContact O-CG 3.35Å; H891-L895 PolarHBondContact O-N 2.88Å
892	I	93.9	Very high	92.5	Very high	14 Å²	14	70.8 Å²	70.8	7%	0.072	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-44.7	176.5	-68.9	165	0	0	0	110.3	V882 L888 A889 K894 L895 L896 A904 V906 I934	V882-I892 HydrophobicContact CG2-CD1 4.17Å; L888-I892 HydrophobicContact CD1-CD1 4.06Å; L888-I892 HydrophobicContact CD1-CG1 4.18Å; L888-I892 HydrophobicContact CG-CD1 3.88Å; L888-I892 HydrophobicContact CG-CG1 4.47Å; L888-I892 VanDerWaalsContact O-CG1 3.28Å; L888-I892 WeakPolarHBondContact O-CG1 3.41Å; L888-I892 PolarHBondContact O-N 3Å; A889-I892 PolarHBondContact O-N 3.14Å; I892-K894 VanDerWaalsContact C-N 3.3Å; I892-K894 PolarHBondContact O-N 3.49Å; I892-L895 PolarHBondContact O-N 3.4Å; I892-L896 HydrophobicContact CG2-CD1 3.87Å; I892-L896 HydrophobicContact CG2-CG 4.26Å; I892-L896 VanDerWaalsContact O-CG 3.32Å; I892-L896 WeakPolarHBondContact O-CG 3.28Å; I892-L896 PolarHBondContact O-N 2.93Å; I892-A904 HydrophobicContact CG2-CB 4.24Å; I892-V906 HydrophobicContact CD1-CB 4.37Å; I892-V906 HydrophobicContact CD1-CG2 3.73Å; I892-I934 HydrophobicContact CD1-CG2 4.42Å; I892-I934 HydrophobicContact CG1-CG1 4.48Å; I892-I934 HydrophobicContact CG1-CG2 4.26Å; I892-I934 HydrophobicContact CG2-CD1 4.19Å
893	A	94	Very high	92.6	Very high	59 Å²	59	73.2 Å²	73.2	49%	0.488	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-40	177.7	0	0	0	0	0	112.4	A889 E890 H891 L896 S897	A889-A893 WeakPolarHBondContact O-CB 3.42Å; A889-A893 PolarHBondContact O-N 3.42Å; E890-A893 PolarHBondContact O-N 3.48Å; H891-A893 VanDerWaalsContact C-N 3.33Å; H891-A893 PolarHBondContact O-N 3.33Å; A893-L896 PolarHBondContact O-N 2.84Å; A893-S897 PolarHBondContact O-N 3.45Å; A893-S897 VanDerWaalsContact O-N 3.1Å
894	K	94.6	Very high	92.7	Very high	152 Å²	152	71.1 Å²	71.1	66%	0.661	37%	0.365	S	S	*	.	H	α-helix	trans	-62.7	-45	174.5	-173.5	-179.1	179.1	-178.1	0	111.8	E890 H891 I892 S897	E890-K894 PolarHBondContact O-N 2.85Å; H891-K894 WeakPolarHBondContact O-CB 3.46Å; H891-K894 PolarHBondContact O-N 3.45Å; I892-K894 VanDerWaalsContact C-N 3.3Å; I892-K894 PolarHBondContact O-N 3.49Å; K894-S897 PolarHBondContact O-N 3.13Å; K894-S897 PolarHBondContact O-OG 3.27Å
895	L	94.4	Very high	92.8	Very high	19 Å²	19	68 Å²	68	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-42.5	177.6	-67.7	175	0	0	0	111.8	H891 I892 S897 L898 Y899 L930 E933 I934	H891-L895 WeakPolarHBondContact O-CG 3.35Å; H891-L895 PolarHBondContact O-N 2.88Å; I892-L895 PolarHBondContact O-N 3.4Å; L895-S897 VanDerWaalsContact C-N 3.3Å; L895-S897 PolarHBondContact O-N 2.86Å; L895-L898 HydrophobicContact CD2-CD1 4.5Å; L895-L898 WeakPolarHBondContact O-CB 3.46Å; L895-L898 PolarHBondContact O-N 2.95Å; L895-Y899 WeakPolarHBondContact O-CD2 3.49Å; L895-L930 HydrophobicContact CB-CD1 3.88Å; L895-E933 HydrophobicContact CD1-CB 4.03Å; L895-E933 HydrophobicContact CD2-CB 4.35Å; L895-I934 HydrophobicContact CD1-CG1 3.82Å
896	L	93.9	Very high	92.9	Very high	34 Å²	34	67.7 Å²	67.7	18%	0.178	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-38.6	176.6	-68.7	171.6	0	0	0	112	I892 A893 L898 Y899 S902 A904 L930	I892-L896 HydrophobicContact CG2-CD1 3.87Å; I892-L896 HydrophobicContact CG2-CG 4.26Å; I892-L896 VanDerWaalsContact O-CG 3.32Å; I892-L896 WeakPolarHBondContact O-CG 3.28Å; I892-L896 PolarHBondContact O-N 2.93Å; A893-L896 PolarHBondContact O-N 2.84Å; L896-L898 PolarHBondContact O-N 2.87Å; L896-Y899 PolarHBondContact O-N 3.18Å; L896-Y899 VanDerWaalsContact O-N 3.15Å; L896-S902 PolarHBondContact O-OG 3Å; L896-A904 HydrophobicContact CD1-CB 4.34Å; L896-A904 HydrophobicContact CD2-CB 3.9Å; L896-A904 HydrophobicContact CG-CB 4.48Å; L896-L930 HydrophobicContact CD2-CD1 4.31Å; L896-L930 HydrophobicContact CD2-CD2 3.64Å; L896-L930 HydrophobicContact CD2-CG 4.49Å
897	S	94.1	Very high	93.1	Very high	94 Å²	94	58.2 Å²	58.2	66%	0.657	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.8	-179.8	73.9	0	0	0	0	115.2	A893 K894 L895	A893-S897 PolarHBondContact O-N 3.45Å; A893-S897 VanDerWaalsContact O-N 3.1Å; K894-S897 PolarHBondContact O-N 3.13Å; K894-S897 PolarHBondContact O-OG 3.27Å; L895-S897 VanDerWaalsContact C-N 3.3Å; L895-S897 PolarHBondContact O-N 2.86Å
898	L	93.2	Very high	93	Very high	115 Å²	115	57.6 Å²	57.6	60%	0.602	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.4	179.8	-58.2	175.4	0	0	0	113.4	L895 L896	L895-L898 HydrophobicContact CD2-CD1 4.5Å; L895-L898 WeakPolarHBondContact O-CB 3.46Å; L895-L898 PolarHBondContact O-N 2.95Å; L896-L898 PolarHBondContact O-N 2.87Å
899	Y	92.3	Very high	92.5	Very high	37 Å²	37	57.5 Å²	57.5	15%	0.145	30%	0.301	C	S	.	.	S	Bend	trans	-122.7	149.5	-172.2	-56.4	-82.1	0	0	0	111.2	L895 L896 S902 H926 L930	L895-Y899 WeakPolarHBondContact O-CD2 3.49Å; L896-Y899 PolarHBondContact O-N 3.18Å; L896-Y899 VanDerWaalsContact O-N 3.15Å; Y899-S902 PolarHBondContact O-OG 3.4Å; Y899-H926 HydrophobicContact CD1-CB 3.56Å; Y899-H926 AromaticContact CD1-CD2 3.92Å; Y899-H926 AromaticContact CD1-CG 3.5Å; Y899-H926 AromaticContact CD1-ND1 3.86Å; Y899-H926 HydrophobicContact CE1-CB 3.9Å; Y899-H926 AromaticContact CE1-CD2 3.79Å; Y899-H926 AromaticContact CE1-CG 3.8Å; Y899-H926 HydrophobicContact CG-CB 4.36Å; Y899-L930 HydrophobicContact CD2-CD1 4.09Å; Y899-L930 HydrophobicContact CE2-CB 4.36Å; Y899-L930 HydrophobicContact CE2-CD1 4.06Å
900	K	90.5	Very high	91.5	Very high	157 Å²	157	57.1 Å²	57.1	68%	0.683	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	149.4	177.4	-69.4	-179	-178.9	176.5	0	110.6	S902 D922	K900-S902 PolarHBondContact O-N 3.5Å; K900-D922 HydrophobicContact CB-CB 4.12Å; K900-D922 PolarHBondContact O-N 2.93Å; K900-D922 VanDerWaalsContact O-N 3.08Å
901	N	88.9	Confident	90.1	Very high	102 Å²	102	53.9 Å²	53.9	55%	0.545	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	31	-179.2	-64.3	-25	0	0	0	113.3
902	S	93.2	Very high	89	Confident	28 Å²	28	52.2 Å²	52.2	20%	0.196	28%	0.283	C	S	.	.			trans	-89.9	138.7	-172.8	69.9	0	0	0	0	112.1	L896 Y899 K900 E920	L896-S902 PolarHBondContact O-OG 3Å; Y899-S902 PolarHBondContact O-OG 3.4Å; K900-S902 PolarHBondContact O-N 3.5Å; S902-E920 WeakPolarHBondContact CA-O 3.33Å
903	R	94.6	Very high	88.1	Confident	66 Å²	66	55.5 Å²	55.5	25%	0.249	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.3	170.1	-179.3	178.4	61.4	96.5	0.8	108.9	A753 S755 T919 E920	A753-R903 PolarHBondContact O-NH1 2.88Å; S755-R903 PolarHBondContact O-NH2 3.44Å; R903-T919 CarbonylContact O-C 3.59Å; R903-T919 WeakPolarHBondContact O-CA 3.49Å; R903-E920 HydrophobicContact CB-CG 3.69Å; R903-E920 WeakPolarHBondContact CB-OE1 3.26Å; R903-E920 IonicContact CZ-OE1 3.67Å; R903-E920 IonicContact CZ-OE2 3.08Å; R903-E920 PolarHBondContact N-O 3.19Å; R903-E920 VanDerWaalsContact N-O 3.12Å; R903-E920 VanDerWaalsContact NE-CD 3.33Å; R903-E920 IonicContact NE-OE1 2.71Å; R903-E920 PolarHBondContact NE-OE1 3.3Å; R903-E920 IonicContact NE-OE2 2.83Å; R903-E920 VanDerWaalsContact NH2-CD 3.28Å; R903-E920 IonicContact NH2-OE1 3.38Å; R903-E920 PolarHBondContact NH2-OE1 3.48Å; R903-E920 IonicContact NH2-OE2 3.6Å; R903-E920 PolarHBondContact NH2-OE2 3.08Å; R903-E920 PolarHBondContact O-N 2.98Å
904	A	94.3	Very high	87.7	Confident	11 Å²	11	53.2 Å²	53.2	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.1	174.1	0	0	0	0	0	111.8	I892 L896 Y918 T919 I934	I892-A904 HydrophobicContact CG2-CB 4.24Å; L896-A904 HydrophobicContact CD1-CB 4.34Å; L896-A904 HydrophobicContact CD2-CB 3.9Å; L896-A904 HydrophobicContact CG-CB 4.48Å; A904-Y918 CarbonylContact C-O 3.58Å; A904-Y918 WeakPolarHBondContact CA-O 3.48Å; A904-T919 HydrophobicContact CB-CG2 4.07Å; A904-I934 HydrophobicContact CB-CD1 3.33Å
905	V	93.5	Very high	87.6	Confident	2 Å²	2	46 Å²	46	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.5	173.4	-179.5	0	0	0	0	107.6	A753 V917 Y918	A753-V905 HydrophobicContact CB-CG1 3.87Å; A753-V905 HydrophobicContact CB-CG2 3.95Å; A753-V905 WeakPolarHBondContact O-CG2 3.45Å; V905-V917 CarbonylContact O-C 3.49Å; V905-V917 WeakPolarHBondContact O-CA 3.33Å; V905-Y918 HydrophobicContact CG2-CD1 4.44Å; V905-Y918 PolarHBondContact N-O 3.02Å; V905-Y918 PolarHBondContact O-N 3.06Å
906	V	93.7	Very high	87.5	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.3	-179.2	-176.3	0	0	0	0	108.1	L873 T875 V882 I892 V915 R916 V917 I934 T938	L873-V906 HydrophobicContact CD1-CG1 4.3Å; L873-V906 HydrophobicContact CD2-CG1 4.03Å; T875-V906 WeakPolarHBondContact CG2-O 3.24Å; V882-V906 HydrophobicContact CG2-CB 3.76Å; V882-V906 HydrophobicContact CG2-CG1 4.28Å; I892-V906 HydrophobicContact CD1-CB 4.37Å; I892-V906 HydrophobicContact CD1-CG2 3.73Å; V906-V915 HydrophobicContact CG1-CG1 3.9Å; V906-R916 WeakPolarHBondContact CA-O 3.22Å; V906-V917 HydrophobicContact CB-CG2 4.43Å; V906-V917 HydrophobicContact CG1-CG2 3.98Å; V906-V917 HydrophobicContact CG2-CG1 4.35Å; V906-V917 HydrophobicContact CG2-CG2 4.04Å; V906-I934 HydrophobicContact CG2-CG2 3.46Å; V906-I934 VanDerWaalsContact CG2-CG2 3.46Å; V906-T938 HydrophobicContact CG1-CG2 4.12Å
907	R	92.2	Very high	87.5	Confident	23 Å²	23	45.6 Å²	45.6	9%	0.087	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.4	-177.4	65.2	162.9	-70.3	-105.8	-7.9	113.6	Y754 T776 T875 E879 R916	Y754-R907 VanDerWaalsContact OH-CD 3.27Å; Y754-R907 WeakPolarHBondContact OH-CD 3.34Å; Y754-R907 WeakPolarHBondContact OH-CG 3.14Å; T776-R907 PolarHBondContact OG1-NH1 2.96Å; T875-R907 HydrophobicContact CG2-CB 4.2Å; E879-R907 HydrophobicContact CB-CB 4.49Å; E879-R907 IonicContact OE1-CZ 3.79Å; E879-R907 IonicContact OE1-NE 3.85Å; E879-R907 PolarHBondContact OE1-NE 3.47Å; E879-R907 IonicContact OE1-NH2 2.79Å; E879-R907 PolarHBondContact OE1-NH2 3.18Å; E879-R907 WeakPolarHBondContact OE2-CD 3.32Å; E879-R907 IonicContact OE2-CZ 3.75Å; E879-R907 IonicContact OE2-NE 3.49Å; E879-R907 PolarHBondContact OE2-NE 3.27Å; R907-R916 PolarHBondContact N-O 3.32Å; R907-R916 PolarHBondContact O-N 2.91Å
908	P	88.6	Confident	87.5	Confident	26 Å²	26	41.5 Å²	41.5	17%	0.169	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.7	170.5	30.3	-33.4	0	0	0	109.6	R870 L873	R870-P908 HydrophobicContact CB-CB 4.08Å; L873-P908 HydrophobicContact CD2-CB 4.45Å
909	S	82.8	Confident	87.7	Confident	3 Å²	3	36 Å²	36	2%	0.021	19%	0.186	C	C	.	.			trans	-66.1	140.2	172.1	-174.9	0	0	0	0	110	R870 T911 E912 V914 R916	R870-S909 PolarHBondContact NH1-O 2.92Å; S909-T911 PolarHBondContact OG-OG1 2.78Å; S909-E912 WeakPolarHBondContact CB-O 3.45Å; S909-E912 PolarHBondContact OG-N 3.2Å; S909-V914 VanDerWaalsContact CB-CG2 3.44Å; S909-V914 WeakPolarHBondContact CB-O 3.3Å; S909-V914 PolarHBondContact N-O 3.43Å; S909-R916 PolarHBondContact OG-NE 3.19Å
910	G	71.2	Confident	87.8	Confident	30 Å²	30	34.7 Å²	34.7	31%	0.309	18%	0.181	S	C	.	.	S	Bend	trans	-76.3	-33.1	175	0	0	0	0	0	112.8	R870	R870-G910 PolarHBondContact NH1-O 2.76Å; R870-G910 VanDerWaalsContact NH1-O 3.15Å
911	T	64.8	Low	88.1	Confident	61 Å²	61	27.2 Å²	27.2	37%	0.374	15%	0.148	S	C	.	.	S	Bend	trans	-94.8	-21.1	-172.3	51.6	0	0	0	0	114.2	S909	S909-T911 PolarHBondContact OG-OG1 2.78Å
912	E	69.6	Low	88.3	Confident	60 Å²	60	25.2 Å²	25.2	28%	0.28	14%	0.137	S	C	.	.	S	Bend	trans	-135.5	153.4	-172	-64.4	166.9	107.2	0	0	110.7	R870 S909 V914 R916	R870-E912 PolarHBondContact NH1-O 3.25Å; S909-E912 WeakPolarHBondContact CB-O 3.45Å; S909-E912 PolarHBondContact OG-N 3.2Å; E912-V914 HydrophobicContact CB-CG1 4.25Å; E912-V914 HydrophobicContact CB-CG2 3.76Å; E912-V914 PolarHBondContact O-N 3.41Å; E912-R916 IonicContact OE2-CZ 3.62Å; E912-R916 IonicContact OE2-NH2 2.65Å; E912-R916 PolarHBondContact OE2-NH2 2.83Å
913	N	75.8	Confident	88.4	Confident	82 Å²	82	26.1 Å²	26.1	44%	0.439	14%	0.142	S	C	.	.	S	Bend	trans	-78.4	61.1	172.7	-164.6	28.8	0	0	0	112.3	V867 R870	V867-N913 PolarHBondContact O-ND2 3.49Å; R870-N913 WeakPolarHBondContact CB-OD1 3.46Å; R870-N913 WeakPolarHBondContact CG-OD1 3.46Å
914	V	86.3	Confident	88.3	Confident	11 Å²	11	26 Å²	26	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.9	-178	-56.6	0	0	0	0	110.6	F865 K866 S909 E912	F865-V914 CarbonylContact O-C 3.58Å; F865-V914 VanDerWaalsContact O-CA 3.23Å; F865-V914 WeakPolarHBondContact O-CA 3.47Å; F865-V914 VanDerWaalsContact O-CB 3.26Å; F865-V914 WeakPolarHBondContact O-CB 3.45Å; K866-V914 HydrophobicContact CG-CG1 3.96Å; S909-V914 VanDerWaalsContact CB-CG2 3.44Å; S909-V914 WeakPolarHBondContact CB-O 3.3Å; S909-V914 PolarHBondContact N-O 3.43Å; E912-V914 HydrophobicContact CB-CG1 4.25Å; E912-V914 HydrophobicContact CB-CG2 3.76Å; E912-V914 PolarHBondContact O-N 3.41Å
915	V	91.5	Very high	88.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.6	167	172.9	0	0	0	0	108.9	K864 F865 V867 L873 V906 V917 T938 M942	K864-V915 WeakPolarHBondContact CA-O 3.01Å; F865-V915 HydrophobicContact CD2-CB 4.46Å; F865-V915 HydrophobicContact CE1-CB 4.25Å; F865-V915 HydrophobicContact CE1-CG1 4.14Å; F865-V915 HydrophobicContact CE2-CB 3.85Å; F865-V915 HydrophobicContact CE2-CG1 4.27Å; F865-V915 HydrophobicContact CE2-CG2 4.49Å; F865-V915 HydrophobicContact CZ-CB 3.73Å; F865-V915 HydrophobicContact CZ-CG1 3.67Å; F865-V915 PolarHBondContact N-O 3.45Å; F865-V915 VanDerWaalsContact N-O 3.09Å; F865-V915 PolarHBondContact O-N 3.34Å; V867-V915 HydrophobicContact CB-CG2 4.47Å; V867-V915 HydrophobicContact CG1-CB 4.29Å; V867-V915 HydrophobicContact CG1-CG2 3.73Å; V867-V915 HydrophobicContact CG2-CG2 3.93Å; L873-V915 HydrophobicContact CD2-CB 4.27Å; L873-V915 HydrophobicContact CD2-CG1 3.56Å; L873-V915 HydrophobicContact CD2-CG2 3.67Å; V906-V915 HydrophobicContact CG1-CG1 3.9Å; V915-V917 HydrophobicContact CG1-CG2 4.42Å; V915-T938 HydrophobicContact CG1-CG2 4.22Å; V915-M942 HydrophobicContact CG2-CE 4.39Å; V915-M942 HydrophobicContact CG2-SD 4.05Å
916	R	92.3	Very high	88.4	Confident	45 Å²	45	33.8 Å²	33.8	17%	0.17	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.4	176.3	-66.3	179.9	179.8	-110.9	-3	108.9	Y754 L862 I863 K864 V906 R907 S909 E912	Y754-R916 VanDerWaalsContact OH-CB 3.29Å; Y754-R916 WeakPolarHBondContact OH-CB 3.31Å; L862-R916 HydrophobicContact CD1-CB 4.4Å; I863-R916 WeakPolarHBondContact O-CA 3.04Å; K864-R916 HydrophobicContact CB-CG 4.46Å; V906-R916 WeakPolarHBondContact CA-O 3.22Å; R907-R916 PolarHBondContact N-O 3.32Å; R907-R916 PolarHBondContact O-N 2.91Å; S909-R916 PolarHBondContact OG-NE 3.19Å; E912-R916 IonicContact OE2-CZ 3.62Å; E912-R916 IonicContact OE2-NH2 2.65Å; E912-R916 PolarHBondContact OE2-NH2 2.83Å
917	V	94.6	Very high	88.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.2	175.5	173.6	0	0	0	0	107.8	L862 I863 F865 V905 V906 V915 T919 I934	L862-V917 WeakPolarHBondContact CA-O 3.45Å; I863-V917 HydrophobicContact CD1-CB 4.13Å; I863-V917 HydrophobicContact CD1-CG1 4.42Å; I863-V917 HydrophobicContact CG1-CB 3.72Å; I863-V917 HydrophobicContact CG1-CG1 4.31Å; I863-V917 PolarHBondContact N-O 2.73Å; I863-V917 PolarHBondContact O-N 3.13Å; F865-V917 HydrophobicContact CE1-CG2 3.66Å; F865-V917 HydrophobicContact CZ-CG2 4.22Å; V905-V917 CarbonylContact O-C 3.49Å; V905-V917 WeakPolarHBondContact O-CA 3.33Å; V906-V917 HydrophobicContact CB-CG2 4.43Å; V906-V917 HydrophobicContact CG1-CG2 3.98Å; V906-V917 HydrophobicContact CG2-CG1 4.35Å; V906-V917 HydrophobicContact CG2-CG2 4.04Å; V915-V917 HydrophobicContact CG1-CG2 4.42Å; V917-T919 HydrophobicContact CG1-CG2 4.07Å; V917-I934 HydrophobicContact CG1-CB 4.02Å; V917-I934 HydrophobicContact CG1-CG2 3.6Å; V917-I934 HydrophobicContact CG2-CG2 4.07Å
918	Y	94.4	Very high	88.6	Confident	9 Å²	9	35.4 Å²	35.4	4%	0.035	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136	170.6	174.3	-89.7	0	0	0	109.1	Y754 N860 K861 A904 V905 E920	Y754-Y918 HydrophobicContact CD1-CD2 4.12Å; Y754-Y918 HydrophobicContact CD1-CG 4.05Å; N860-Y918 HydrophobicContact CB-CE2 3.96Å; K861-Y918 CarbonylContact O-C 3.59Å; K861-Y918 WeakPolarHBondContact O-CA 3.32Å; A904-Y918 CarbonylContact C-O 3.58Å; A904-Y918 WeakPolarHBondContact CA-O 3.48Å; V905-Y918 HydrophobicContact CG2-CD1 4.44Å; V905-Y918 PolarHBondContact N-O 3.02Å; V905-Y918 PolarHBondContact O-N 3.06Å; Y918-E920 HydrophobicContact CE1-CB 4.25Å; Y918-E920 HydrophobicContact CE1-CG 4.33Å; Y918-E920 PolarHBondContact OH-OE2 3.08Å
919	T	95.7	Very high	88.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.5	174.7	55.8	0	0	0	0	110.4	N860 K861 R903 A904 V917 A927 L930 A931 I934	N860-T919 CarbonylContact C-O 3.54Å; N860-T919 WeakPolarHBondContact CA-O 3.49Å; N860-T919 WeakPolarHBondContact CB-O 3.41Å; K861-T919 PolarHBondContact N-O 2.94Å; K861-T919 PolarHBondContact O-N 3.15Å; K861-T919 PolarHBondContact O-OG1 3.46Å; R903-T919 CarbonylContact O-C 3.59Å; R903-T919 WeakPolarHBondContact O-CA 3.49Å; A904-T919 HydrophobicContact CB-CG2 4.07Å; V917-T919 HydrophobicContact CG1-CG2 4.07Å; T919-A927 PolarHBondContact OG1-O 3.26Å; T919-L930 HydrophobicContact CG2-CB 4.27Å; T919-L930 HydrophobicContact CG2-CD2 3.97Å; T919-L930 HydrophobicContact CG2-CG 3.82Å; T919-A931 HydrophobicContact CG2-CB 4.12Å; T919-I934 HydrophobicContact CG2-CD1 3.94Å
920	E	95.7	Very high	89.5	Confident	9 Å²	9	38.7 Å²	38.7	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.5	166	62.5	-175.3	-162.5	0	0	108.9	G757 I858 P859 N860 S902 R903 Y918	G757-E920 PolarHBondContact N-OE2 3.42Å; I858-E920 HydrophobicContact CB-CB 4.29Å; I858-E920 HydrophobicContact CG2-CB 3.83Å; I858-E920 HydrophobicContact CG2-CG 4.35Å; P859-E920 CarbonylContact O-C 3.47Å; P859-E920 VanDerWaalsContact O-CA 3.22Å; P859-E920 WeakPolarHBondContact O-CA 3.12Å; N860-E920 HydrophobicContact CB-CB 4.11Å; S902-E920 WeakPolarHBondContact CA-O 3.33Å; R903-E920 HydrophobicContact CB-CG 3.69Å; R903-E920 WeakPolarHBondContact CB-OE1 3.26Å; R903-E920 IonicContact CZ-OE1 3.67Å; R903-E920 IonicContact CZ-OE2 3.08Å; R903-E920 PolarHBondContact N-O 3.19Å; R903-E920 VanDerWaalsContact N-O 3.12Å; R903-E920 VanDerWaalsContact NE-CD 3.33Å; R903-E920 IonicContact NE-OE1 2.71Å; R903-E920 PolarHBondContact NE-OE1 3.3Å; R903-E920 IonicContact NE-OE2 2.83Å; R903-E920 VanDerWaalsContact NH2-CD 3.28Å; R903-E920 IonicContact NH2-OE1 3.38Å; R903-E920 PolarHBondContact NH2-OE1 3.48Å; R903-E920 IonicContact NH2-OE2 3.6Å; R903-E920 PolarHBondContact NH2-OE2 3.08Å; R903-E920 PolarHBondContact O-N 2.98Å; Y918-E920 HydrophobicContact CE1-CB 4.25Å; Y918-E920 HydrophobicContact CE1-CG 4.33Å; Y918-E920 PolarHBondContact OH-OE2 3.08Å
921	A	96.2	Very high	90.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.			trans	-158.2	174.2	178.2	0	0	0	0	0	110.8	I858 P859 T923 H926 A927	I858-A921 WeakPolarHBondContact CG2-O 3.46Å; P859-A921 WeakPolarHBondContact CD-O 3.29Å; P859-A921 PolarHBondContact O-N 3.37Å; A921-T923 VanDerWaalsContact C-N 3.29Å; A921-T923 PolarHBondContact O-N 2.92Å; A921-H926 HydrophobicContact CB-CB 3.75Å; A921-A927 HydrophobicContact CB-CB 4.09Å
922	D	93.7	Very high	92.1	Very high	60 Å²	60	37.1 Å²	37.1	32%	0.321	19%	0.185	S	C	.	.	S	Bend	trans	-60.3	-29.9	177.9	60	-31	0	0	0	114.9	K900 H926	K900-D922 HydrophobicContact CB-CB 4.12Å; K900-D922 PolarHBondContact O-N 2.93Å; K900-D922 VanDerWaalsContact O-N 3.08Å; D922-H926 IonicContact OD1-CE1 3.74Å; D922-H926 IonicContact OD1-CG 3.63Å; D922-H926 IonicContact OD1-ND1 2.73Å; D922-H926 PolarHBondContact OD1-ND1 3.33Å; D922-H926 IonicContact OD2-CE1 3.88Å; D922-H926 IonicContact OD2-ND1 3.57Å
923	T	94.4	Very high	93.4	Very high	46 Å²	46	37.5 Å²	37.5	28%	0.282	19%	0.187	S	C	.	.	S	Bend	trans	-129.6	158.5	175.5	70.2	0	0	0	0	111.9	A921 E925 H926 A927	A921-T923 VanDerWaalsContact C-N 3.29Å; A921-T923 PolarHBondContact O-N 2.92Å; T923-E925 VanDerWaalsContact C-N 3.28Å; T923-E925 PolarHBondContact O-N 3.33Å; T923-H926 PolarHBondContact O-N 2.99Å; T923-H926 WeakPolarHBondContact OG1-CB 3.47Å; T923-H926 PolarHBondContact OG1-N 3.33Å; T923-H926 VanDerWaalsContact OG1-N 3.15Å; T923-H926 PolarHBondContact OG1-ND1 2.84Å; T923-A927 PolarHBondContact O-N 3.41Å
924	Q	92.5	Very high	94.3	Very high	64 Å²	64	33.6 Å²	33.6	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-67.5	-33.2	178.6	-172.4	62.2	61.2	0	0	111.2	P859 N860 A927 N928	P859-Q924 HydrophobicContact CB-CB 4.25Å; N860-Q924 PolarHBondContact O-NE2 3.41Å; N860-Q924 VanDerWaalsContact O-NE2 3.09Å; N860-Q924 PolarHBondContact O-OE1 2.89Å; Q924-A927 PolarHBondContact O-N 3.28Å; Q924-N928 PolarHBondContact NE2-OD1 2.86Å; Q924-N928 WeakPolarHBondContact O-CB 3.35Å; Q924-N928 PolarHBondContact O-N 3.36Å; Q924-N928 PolarHBondContact O-ND2 3.36Å; Q924-N928 PolarHBondContact O-OD1 3.25Å
925	E	94.8	Very high	94.8	Very high	120 Å²	120	35.8 Å²	35.8	56%	0.561	18%	0.176	S	C	*	.	H	α-helix	trans	-61.1	-49.1	174.7	-66.6	70.3	-155.6	0	0	110.9	T923 N928 Q929	T923-E925 VanDerWaalsContact C-N 3.28Å; T923-E925 PolarHBondContact O-N 3.33Å; E925-N928 PolarHBondContact O-N 2.87Å; E925-Q929 WeakPolarHBondContact O-CG 3.48Å; E925-Q929 PolarHBondContact O-N 3.22Å
926	H	96.7	Very high	94.9	Very high	57 Å²	57	44.4 Å²	44.4	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-64.7	-42.5	177.5	-65.8	166	0	0	0	111.9	Y899 A921 D922 T923 N928 Q929 L930	Y899-H926 HydrophobicContact CD1-CB 3.56Å; Y899-H926 AromaticContact CD1-CD2 3.92Å; Y899-H926 AromaticContact CD1-CG 3.5Å; Y899-H926 AromaticContact CD1-ND1 3.86Å; Y899-H926 HydrophobicContact CE1-CB 3.9Å; Y899-H926 AromaticContact CE1-CD2 3.79Å; Y899-H926 AromaticContact CE1-CG 3.8Å; Y899-H926 HydrophobicContact CG-CB 4.36Å; A921-H926 HydrophobicContact CB-CB 3.75Å; D922-H926 IonicContact OD1-CE1 3.74Å; D922-H926 IonicContact OD1-CG 3.63Å; D922-H926 IonicContact OD1-ND1 2.73Å; D922-H926 PolarHBondContact OD1-ND1 3.33Å; D922-H926 IonicContact OD2-CE1 3.88Å; D922-H926 IonicContact OD2-ND1 3.57Å; T923-H926 PolarHBondContact O-N 2.99Å; T923-H926 WeakPolarHBondContact OG1-CB 3.47Å; T923-H926 PolarHBondContact OG1-N 3.33Å; T923-H926 VanDerWaalsContact OG1-N 3.15Å; T923-H926 PolarHBondContact OG1-ND1 2.84Å; H926-N928 VanDerWaalsContact C-N 3.3Å; H926-N928 PolarHBondContact O-N 3.4Å; H926-Q929 PolarHBondContact O-N 3.05Å; H926-L930 VanDerWaalsContact O-CB 3.24Å; H926-L930 WeakPolarHBondContact O-CB 3.32Å; H926-L930 PolarHBondContact O-N 3.41Å
927	A	94.5	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-40.8	176.9	0	0	0	0	0	111.6	T919 A921 T923 Q924 A931	T919-A927 PolarHBondContact OG1-O 3.26Å; A921-A927 HydrophobicContact CB-CB 4.09Å; T923-A927 PolarHBondContact O-N 3.41Å; Q924-A927 PolarHBondContact O-N 3.28Å; A927-A931 WeakPolarHBondContact O-CB 3.4Å; A927-A931 PolarHBondContact O-N 3.22Å; A927-A931 VanDerWaalsContact O-N 3.09Å
928	N	94.3	Very high	95	Very high	61 Å²	61	42.8 Å²	42.8	33%	0.326	21%	0.205	S	C	.	.	H	α-helix	trans	-66.6	-45.5	176.4	-69.5	-18.4	0	0	0	112.2	K861 Q924 E925 H926 A931 V932	K861-N928 WeakPolarHBondContact CD-OD1 3.38Å; Q924-N928 PolarHBondContact NE2-OD1 2.86Å; Q924-N928 WeakPolarHBondContact O-CB 3.35Å; Q924-N928 PolarHBondContact O-N 3.36Å; Q924-N928 PolarHBondContact O-ND2 3.36Å; Q924-N928 PolarHBondContact O-OD1 3.25Å; E925-N928 PolarHBondContact O-N 2.87Å; H926-N928 VanDerWaalsContact C-N 3.3Å; H926-N928 PolarHBondContact O-N 3.4Å; N928-A931 WeakPolarHBondContact O-CB 3.45Å; N928-A931 PolarHBondContact O-N 3.14Å; N928-V932 PolarHBondContact O-N 3.18Å
929	Q	95.4	Very high	94.9	Very high	97 Å²	97	44.5 Å²	44.5	45%	0.453	22%	0.216	S	C	.	.	H	α-helix	trans	-60.7	-49.5	177.7	-75.4	172.7	-5.3	0	0	111	E925 H926 A931 V932 E933	E925-Q929 WeakPolarHBondContact O-CG 3.48Å; E925-Q929 PolarHBondContact O-N 3.22Å; H926-Q929 PolarHBondContact O-N 3.05Å; Q929-A931 VanDerWaalsContact C-N 3.27Å; Q929-A931 PolarHBondContact O-N 3.18Å; Q929-V932 PolarHBondContact O-N 2.75Å; Q929-V932 VanDerWaalsContact O-N 3.13Å; Q929-E933 WeakPolarHBondContact O-CG 3.37Å; Q929-E933 PolarHBondContact O-N 3.27Å
930	L	95.7	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-39.4	178	-176.1	64.7	0	0	0	111.9	L895 L896 Y899 T919 H926 E933 I934	L895-L930 HydrophobicContact CB-CD1 3.88Å; L896-L930 HydrophobicContact CD2-CD1 4.31Å; L896-L930 HydrophobicContact CD2-CD2 3.64Å; L896-L930 HydrophobicContact CD2-CG 4.49Å; Y899-L930 HydrophobicContact CD2-CD1 4.09Å; Y899-L930 HydrophobicContact CE2-CB 4.36Å; Y899-L930 HydrophobicContact CE2-CD1 4.06Å; T919-L930 HydrophobicContact CG2-CB 4.27Å; T919-L930 HydrophobicContact CG2-CD2 3.97Å; T919-L930 HydrophobicContact CG2-CG 3.82Å; H926-L930 VanDerWaalsContact O-CB 3.24Å; H926-L930 WeakPolarHBondContact O-CB 3.32Å; H926-L930 PolarHBondContact O-N 3.41Å; L930-E933 PolarHBondContact O-N 2.86Å; L930-I934 HydrophobicContact CD1-CD1 3.81Å; L930-I934 HydrophobicContact CD1-CG1 4.17Å; L930-I934 HydrophobicContact CG-CD1 3.82Å; L930-I934 HydrophobicContact CG-CG1 4.46Å; L930-I934 WeakPolarHBondContact O-CB 3.24Å; L930-I934 VanDerWaalsContact O-CG1 3.26Å; L930-I934 WeakPolarHBondContact O-CG1 3.26Å; L930-I934 PolarHBondContact O-N 3.17Å
931	A	94.8	Very high	94.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-47.2	176.9	0	0	0	0	0	111.6	K861 I863 T919 A927 N928 Q929 Q935	K861-A931 HydrophobicContact CB-CB 4.32Å; K861-A931 HydrophobicContact CG-CB 4.04Å; I863-A931 HydrophobicContact CD1-CB 3.91Å; I863-A931 WeakPolarHBondContact CD1-O 3.35Å; I863-A931 HydrophobicContact CG1-CB 4.31Å; I863-A931 HydrophobicContact CG2-CB 4.32Å; T919-A931 HydrophobicContact CG2-CB 4.12Å; A927-A931 WeakPolarHBondContact O-CB 3.4Å; A927-A931 PolarHBondContact O-N 3.22Å; A927-A931 VanDerWaalsContact O-N 3.09Å; N928-A931 WeakPolarHBondContact O-CB 3.45Å; N928-A931 PolarHBondContact O-N 3.14Å; Q929-A931 VanDerWaalsContact C-N 3.27Å; Q929-A931 PolarHBondContact O-N 3.18Å; A931-Q935 WeakPolarHBondContact O-CB 3.19Å; A931-Q935 PolarHBondContact O-N 3.26Å
932	V	95.7	Very high	94.1	Very high	58 Å²	58	51.1 Å²	51.1	35%	0.352	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-41.3	-179.9	175	0	0	0	0	111.5	N928 Q929 Q935 R936	N928-V932 PolarHBondContact O-N 3.18Å; Q929-V932 PolarHBondContact O-N 2.75Å; Q929-V932 VanDerWaalsContact O-N 3.13Å; V932-Q935 PolarHBondContact O-N 3.07Å; V932-R936 WeakPolarHBondContact O-CG 3.44Å; V932-R936 PolarHBondContact O-N 3.15Å
933	E	95.9	Very high	93.9	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.318	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-45.4	178	-71	180	161.8	0	0	111.7	L895 Q929 L930 Q935 R936 A937	L895-E933 HydrophobicContact CD1-CB 4.03Å; L895-E933 HydrophobicContact CD2-CB 4.35Å; Q929-E933 WeakPolarHBondContact O-CG 3.37Å; Q929-E933 PolarHBondContact O-N 3.27Å; L930-E933 PolarHBondContact O-N 2.86Å; E933-Q935 PolarHBondContact O-N 2.88Å; E933-R936 PolarHBondContact O-N 3.27Å; E933-A937 WeakPolarHBondContact O-CB 3.39Å; E933-A937 PolarHBondContact O-N 3.16Å
934	I	95.6	Very high	93.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-38.5	177.1	-69.3	175.7	0	0	0	111.2	I892 L895 A904 V906 V917 T919 L930 A937 T938	I892-I934 HydrophobicContact CD1-CG2 4.42Å; I892-I934 HydrophobicContact CG1-CG1 4.48Å; I892-I934 HydrophobicContact CG1-CG2 4.26Å; I892-I934 HydrophobicContact CG2-CD1 4.19Å; L895-I934 HydrophobicContact CD1-CG1 3.82Å; A904-I934 HydrophobicContact CB-CD1 3.33Å; V906-I934 HydrophobicContact CG2-CG2 3.46Å; V906-I934 VanDerWaalsContact CG2-CG2 3.46Å; V917-I934 HydrophobicContact CG1-CB 4.02Å; V917-I934 HydrophobicContact CG1-CG2 3.6Å; V917-I934 HydrophobicContact CG2-CG2 4.07Å; T919-I934 HydrophobicContact CG2-CD1 3.94Å; L930-I934 HydrophobicContact CD1-CD1 3.81Å; L930-I934 HydrophobicContact CD1-CG1 4.17Å; L930-I934 HydrophobicContact CG-CD1 3.82Å; L930-I934 HydrophobicContact CG-CG1 4.46Å; L930-I934 WeakPolarHBondContact O-CB 3.24Å; L930-I934 VanDerWaalsContact O-CG1 3.26Å; L930-I934 WeakPolarHBondContact O-CG1 3.26Å; L930-I934 PolarHBondContact O-N 3.17Å; I934-A937 PolarHBondContact O-N 2.83Å; I934-T938 VanDerWaalsContact O-CB 3.32Å; I934-T938 WeakPolarHBondContact O-CB 3.3Å; I934-T938 PolarHBondContact O-N 2.9Å; I934-T938 PolarHBondContact O-OG1 3.15Å
935	Q	95.5	Very high	93.1	Very high	58 Å²	58	54.2 Å²	54.2	27%	0.271	26%	0.261	S	S	.	.	H	α-helix	trans	-57.8	-50.9	173	173.1	179	21.8	0	0	111.4	I863 F865 A931 V932 E933 A937 T938 V939	I863-Q935 HydrophobicContact CD1-CB 3.67Å; I863-Q935 HydrophobicContact CD1-CG 4.34Å; F865-Q935 HydrophobicContact CD1-CB 4.32Å; F865-Q935 HydrophobicContact CD1-CG 3.66Å; F865-Q935 HydrophobicContact CE1-CB 3.99Å; F865-Q935 HydrophobicContact CE1-CG 3.7Å; F865-Q935 HydrophobicContact CG-CG 4.08Å; F865-Q935 HydrophobicContact CZ-CG 4.17Å; A931-Q935 WeakPolarHBondContact O-CB 3.19Å; A931-Q935 PolarHBondContact O-N 3.26Å; V932-Q935 PolarHBondContact O-N 3.07Å; E933-Q935 PolarHBondContact O-N 2.88Å; Q935-A937 VanDerWaalsContact C-N 3.33Å; Q935-A937 PolarHBondContact O-N 3.14Å; Q935-T938 PolarHBondContact O-N 3.34Å; Q935-V939 HydrophobicContact CG-CG2 4.45Å; Q935-V939 WeakPolarHBondContact O-CG2 3.42Å; Q935-V939 PolarHBondContact O-N 3.12Å
936	R	94.9	Very high	92.4	Very high	180 Å²	180	51.8 Å²	51.8	68%	0.679	25%	0.25	S	C	*	.	H	α-helix	trans	-59.5	-44.2	178.7	-71.6	176.1	-175.9	172.8	2	111.6	V932 E933 T938 K940	V932-R936 WeakPolarHBondContact O-CG 3.44Å; V932-R936 PolarHBondContact O-N 3.15Å; E933-R936 PolarHBondContact O-N 3.27Å; R936-T938 VanDerWaalsContact C-N 3.32Å; R936-T938 PolarHBondContact O-N 3.33Å; R936-K940 WeakPolarHBondContact O-CB 3.45Å; R936-K940 PolarHBondContact O-N 3.18Å; R936-K940 VanDerWaalsContact O-N 3.09Å
937	A	94.4	Very high	91.5	Very high	12 Å²	12	54.7 Å²	54.7	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-41.4	176.6	0	0	0	0	0	111.9	L888 E933 I934 Q935 A941	L888-A937 HydrophobicContact CD1-CB 4.15Å; E933-A937 WeakPolarHBondContact O-CB 3.39Å; E933-A937 PolarHBondContact O-N 3.16Å; I934-A937 PolarHBondContact O-N 2.83Å; Q935-A937 VanDerWaalsContact C-N 3.33Å; Q935-A937 PolarHBondContact O-N 3.14Å; A937-A941 VanDerWaalsContact O-CB 3.27Å; A937-A941 WeakPolarHBondContact O-CB 3.37Å; A937-A941 PolarHBondContact O-N 3.21Å
938	T	93.5	Very high	90.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-47.9	-179.4	-55.7	0	0	0	0	111.7	F865 L873 L888 V906 V915 I934 Q935 R936 K940 A941 M942	F865-T938 HydrophobicContact CE2-CG2 4.34Å; F865-T938 HydrophobicContact CZ-CG2 3.9Å; L873-T938 HydrophobicContact CD1-CG2 4.42Å; L888-T938 HydrophobicContact CD2-CG2 4.08Å; V906-T938 HydrophobicContact CG1-CG2 4.12Å; V915-T938 HydrophobicContact CG1-CG2 4.22Å; I934-T938 VanDerWaalsContact O-CB 3.32Å; I934-T938 WeakPolarHBondContact O-CB 3.3Å; I934-T938 PolarHBondContact O-N 2.9Å; I934-T938 PolarHBondContact O-OG1 3.15Å; Q935-T938 PolarHBondContact O-N 3.34Å; R936-T938 VanDerWaalsContact C-N 3.32Å; R936-T938 PolarHBondContact O-N 3.33Å; T938-K940 PolarHBondContact O-N 3.03Å; T938-A941 PolarHBondContact O-N 2.82Å; T938-M942 HydrophobicContact CG2-CG 4.43Å; T938-M942 HydrophobicContact CG2-SD 3.94Å; T938-M942 WeakPolarHBondContact O-CB 3.46Å; T938-M942 VanDerWaalsContact O-CG 3.27Å; T938-M942 WeakPolarHBondContact O-CG 3.07Å; T938-M942 PolarHBondContact O-N 2.71Å
939	V	92.2	Very high	89.1	Confident	44 Å²	44	61 Å²	61	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-58.1	-50.8	177.4	171.8	0	0	0	0	110.3	F865 Q935 A941 M942 E943	F865-V939 HydrophobicContact CD2-CG2 3.84Å; F865-V939 HydrophobicContact CE2-CG2 3.62Å; F865-V939 HydrophobicContact CZ-CG2 4.41Å; Q935-V939 HydrophobicContact CG-CG2 4.45Å; Q935-V939 WeakPolarHBondContact O-CG2 3.42Å; Q935-V939 PolarHBondContact O-N 3.12Å; V939-A941 VanDerWaalsContact C-N 3.34Å; V939-A941 PolarHBondContact O-N 2.98Å; V939-M942 PolarHBondContact O-N 3.43Å; V939-M942 VanDerWaalsContact O-N 3.14Å; V939-E943 HydrophobicContact CG1-CG 4.4Å; V939-E943 WeakPolarHBondContact CG1-OE1 3.45Å; V939-E943 WeakPolarHBondContact O-CG 3.09Å; V939-E943 PolarHBondContact O-N 3.33Å
940	K	92	Very high	87.2	Confident	128 Å²	128	59.4 Å²	59.4	56%	0.557	31%	0.309	S	S	*	.	H	α-helix	trans	-58.2	-44.4	178.6	-176.3	178.7	-179.8	178.8	0	112.4	R936 T938 M942 Q944	R936-K940 WeakPolarHBondContact O-CB 3.45Å; R936-K940 PolarHBondContact O-N 3.18Å; R936-K940 VanDerWaalsContact O-N 3.09Å; T938-K940 PolarHBondContact O-N 3.03Å; K940-M942 VanDerWaalsContact C-N 3.32Å; K940-M942 PolarHBondContact O-N 3.27Å; K940-Q944 WeakPolarHBondContact O-CB 3.18Å; K940-Q944 VanDerWaalsContact O-CG 3.26Å; K940-Q944 WeakPolarHBondContact O-CG 3.49Å; K940-Q944 PolarHBondContact O-N 2.9Å; K940-Q944 VanDerWaalsContact O-N 3.09Å
941	A	91.7	Very high	85	Confident	14 Å²	14	69.3 Å²	69.3	12%	0.116	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-35.5	179.4	0	0	0	0	0	112.3	P885 L888 A937 T938 V939 A945	P885-A941 HydrophobicContact CB-CB 4.13Å; P885-A941 HydrophobicContact CG-CB 4.12Å; P885-A941 WeakPolarHBondContact CG-O 3.35Å; L888-A941 HydrophobicContact CB-CB 4.26Å; L888-A941 HydrophobicContact CD1-CB 4.24Å; L888-A941 HydrophobicContact CD2-CB 4.29Å; L888-A941 HydrophobicContact CG-CB 4.5Å; A937-A941 VanDerWaalsContact O-CB 3.27Å; A937-A941 WeakPolarHBondContact O-CB 3.37Å; A937-A941 PolarHBondContact O-N 3.21Å; T938-A941 PolarHBondContact O-N 2.82Å; V939-A941 VanDerWaalsContact C-N 3.34Å; V939-A941 PolarHBondContact O-N 2.98Å; A941-A945 WeakPolarHBondContact O-CB 3.21Å; A941-A945 PolarHBondContact O-N 3.23Å; A941-A945 VanDerWaalsContact O-N 3.08Å
942	M	88.9	Confident	82.7	Confident	7 Å²	7	73.9 Å²	73.9	3%	0.034	37%	0.374	C	S	.	.	H	α-helix	trans	-73.3	-40.5	178.2	-70.8	-177.9	73	0	0	112.4	V867 D869 L872 L873 P885 V915 T938 V939 K940 A945 Q946	V867-M942 HydrophobicContact CB-CE 3.77Å; V867-M942 HydrophobicContact CB-SD 4.33Å; V867-M942 HydrophobicContact CG1-CE 3.92Å; V867-M942 HydrophobicContact CG1-SD 3.8Å; V867-M942 HydrophobicContact CG2-CE 3.92Å; D869-M942 WeakPolarHBondContact O-CE 3.26Å; L872-M942 HydrophobicContact CB-CE 4.28Å; L873-M942 HydrophobicContact CB-CE 4.37Å; L873-M942 HydrophobicContact CB-SD 4.41Å; P885-M942 HydrophobicContact CG-CG 4.09Å; V915-M942 HydrophobicContact CG2-CE 4.39Å; V915-M942 HydrophobicContact CG2-SD 4.05Å; T938-M942 HydrophobicContact CG2-CG 4.43Å; T938-M942 HydrophobicContact CG2-SD 3.94Å; T938-M942 WeakPolarHBondContact O-CB 3.46Å; T938-M942 VanDerWaalsContact O-CG 3.27Å; T938-M942 WeakPolarHBondContact O-CG 3.07Å; T938-M942 PolarHBondContact O-N 2.71Å; V939-M942 PolarHBondContact O-N 3.43Å; V939-M942 VanDerWaalsContact O-N 3.14Å; K940-M942 VanDerWaalsContact C-N 3.32Å; K940-M942 PolarHBondContact O-N 3.27Å; M942-A945 PolarHBondContact O-N 3.07Å; M942-Q946 WeakPolarHBondContact O-CG 3.19Å; M942-Q946 PolarHBondContact O-N 2.75Å
943	E	87.7	Confident	79.5	Confident	106 Å²	106	79.4 Å²	79.4	50%	0.495	40%	0.396	S	S	.	.	H	α-helix	trans	-60.2	-45.9	173.6	-71.9	170.3	168.3	0	0	111.1	V939 A945 Q946 E947	V939-E943 HydrophobicContact CG1-CG 4.4Å; V939-E943 WeakPolarHBondContact CG1-OE1 3.45Å; V939-E943 WeakPolarHBondContact O-CG 3.09Å; V939-E943 PolarHBondContact O-N 3.33Å; E943-A945 VanDerWaalsContact C-N 3.32Å; E943-A945 PolarHBondContact O-N 3.12Å; E943-Q946 WeakPolarHBondContact O-CB 3.3Å; E943-Q946 PolarHBondContact O-N 2.96Å; E943-Q946 VanDerWaalsContact O-N 3.13Å; E943-E947 PolarHBondContact O-N 2.75Å
944	Q	86.8	Confident	76.6	Confident	104 Å²	104	81.7 Å²	81.7	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-40.1	175.2	-72.4	176.4	-17.3	0	0	112.4	K940 Q946 E947 V948	K940-Q944 WeakPolarHBondContact O-CB 3.18Å; K940-Q944 VanDerWaalsContact O-CG 3.26Å; K940-Q944 WeakPolarHBondContact O-CG 3.49Å; K940-Q944 PolarHBondContact O-N 2.9Å; K940-Q944 VanDerWaalsContact O-N 3.09Å; Q944-Q946 VanDerWaalsContact C-N 3.32Å; Q944-Q946 PolarHBondContact O-N 3.34Å; Q944-E947 PolarHBondContact O-N 2.77Å; Q944-V948 WeakPolarHBondContact O-CG2 3.08Å; Q944-V948 PolarHBondContact O-N 2.79Å
945	A	84.2	Confident	73.4	Confident	25 Å²	25	89.6 Å²	89.6	21%	0.207	46%	0.456	C	S	.	.	H	α-helix	trans	-65.9	-34.8	176.3	0	0	0	0	0	112.4	L872 P885 A941 M942 E943 L949	L872-A945 HydrophobicContact CD1-CB 4.47Å; P885-A945 HydrophobicContact CB-CB 4.18Å; P885-A945 HydrophobicContact CG-CB 4.04Å; A941-A945 WeakPolarHBondContact O-CB 3.21Å; A941-A945 PolarHBondContact O-N 3.23Å; A941-A945 VanDerWaalsContact O-N 3.08Å; M942-A945 PolarHBondContact O-N 3.07Å; E943-A945 VanDerWaalsContact C-N 3.32Å; E943-A945 PolarHBondContact O-N 3.12Å; A945-L949 WeakPolarHBondContact O-CG 3.4Å; A945-L949 PolarHBondContact O-N 3.35Å
946	Q	80.9	Confident	70.5	Confident	69 Å²	69	92.2 Å²	92.2	32%	0.322	48%	0.481	S	S	.	.	H	α-helix	trans	-66.4	-44.1	174.4	-74.9	-176	-46.5	0	0	112.3	L872 M942 E943 Q944 V948 L949 G950	L872-Q946 HydrophobicContact CD1-CB 4.46Å; L872-Q946 HydrophobicContact CD1-CG 3.24Å; M942-Q946 WeakPolarHBondContact O-CG 3.19Å; M942-Q946 PolarHBondContact O-N 2.75Å; E943-Q946 WeakPolarHBondContact O-CB 3.3Å; E943-Q946 PolarHBondContact O-N 2.96Å; E943-Q946 VanDerWaalsContact O-N 3.13Å; Q944-Q946 VanDerWaalsContact C-N 3.32Å; Q944-Q946 PolarHBondContact O-N 3.34Å; Q946-V948 VanDerWaalsContact C-N 3.29Å; Q946-V948 PolarHBondContact O-N 3.44Å; Q946-L949 PolarHBondContact O-N 3.45Å; Q946-G950 PolarHBondContact O-N 3Å
947	E	77.7	Confident	67.4	Low	117 Å²	117	88.6 Å²	88.6	55%	0.547	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-38.8	177.4	-72	-178.5	-177	0	0	112.3	E943 Q944 G950 R951	E943-E947 PolarHBondContact O-N 2.75Å; Q944-E947 PolarHBondContact O-N 2.77Å; E947-G950 PolarHBondContact O-N 2.9Å; E947-R951 WeakPolarHBondContact O-CG 3.35Å; E947-R951 PolarHBondContact O-N 3.34Å; E947-R951 VanDerWaalsContact O-N 3.17Å
948	V	74.2	Confident	64.5	Low	95 Å²	95	97.2 Å²	97.2	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-65.4	-43.4	177	173.7	0	0	0	0	111	Q944 Q946 R951 T952	Q944-V948 WeakPolarHBondContact O-CG2 3.08Å; Q944-V948 PolarHBondContact O-N 2.79Å; Q946-V948 VanDerWaalsContact C-N 3.29Å; Q946-V948 PolarHBondContact O-N 3.44Å; V948-R951 PolarHBondContact O-N 3.36Å; V948-T952 PolarHBondContact O-N 3.26Å; V948-T952 PolarHBondContact O-OG1 2.78Å
949	L	64.3	Low	61.9	Low	100 Å²	100	106.1 Å²	106.1	52%	0.524	59%	0.59	S	S	.	*	H	α-helix	trans	-63.9	-40.3	177	-77.3	161.5	0	0	0	112.2	L872 A945 Q946 R951 T952	L872-L949 HydrophobicContact CD2-CD1 3.29Å; A945-L949 WeakPolarHBondContact O-CG 3.4Å; A945-L949 PolarHBondContact O-N 3.35Å; Q946-L949 PolarHBondContact O-N 3.45Å; L949-R951 VanDerWaalsContact C-N 3.28Å; L949-R951 PolarHBondContact O-N 3.43Å; L949-T952 WeakPolarHBondContact CA-OG1 2.98Å; L949-T952 PolarHBondContact O-N 2.87Å; L949-T952 PolarHBondContact O-OG1 2.94Å
950	G	54.3	Low	60.4	Low	62 Å²	62	109.2 Å²	109.2	64%	0.639	61%	0.607	S	S	*	*	H	α-helix	trans	-69.4	-19.9	177.4	0	0	0	0	0	114.6	Q946 E947	Q946-G950 PolarHBondContact O-N 3Å; E947-G950 PolarHBondContact O-N 2.9Å
951	R	50.6	Low	58.7	Low	208 Å²	208	108.2 Å²	108.2	79%	0.785	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-9.7	174.6	-72.1	179.9	-174	176.9	6.6	113.7	E947 V948 L949	E947-R951 WeakPolarHBondContact O-CG 3.35Å; E947-R951 PolarHBondContact O-N 3.34Å; E947-R951 VanDerWaalsContact O-N 3.17Å; V948-R951 PolarHBondContact O-N 3.36Å; L949-R951 VanDerWaalsContact C-N 3.28Å; L949-R951 PolarHBondContact O-N 3.43Å
952	T	45.7	Very low	56.9	Low	96 Å²	96	113.4 Å²	113.4	59%	0.589	64%	0.637	S	S	*	*	S	Bend	trans	-99.8	3.2	-176.7	43.9	0	0	0	0	115.1	V948 L949 P954	V948-T952 PolarHBondContact O-N 3.26Å; V948-T952 PolarHBondContact O-OG1 2.78Å; L949-T952 WeakPolarHBondContact CA-OG1 2.98Å; L949-T952 PolarHBondContact O-N 2.87Å; L949-T952 PolarHBondContact O-OG1 2.94Å; T952-P954 WeakPolarHBondContact O-CD 3.16Å
953	E	29.1	Very low	55	Low	174 Å²	174	119.7 Å²	119.7	81%	0.813	67%	0.672	S	S	*	*			trans	-91.8	109.1	163	-76.5	-172.6	172	0	0	109.5
954	P	33.5	Very low	52.9	Low	116 Å²	116	120.6 Å²	120.6	75%	0.753	68%	0.683	S	S	*	*			trans	-73.9	134.1	169.6	10.7	4	0	0	0	108.8	T952 S956	T952-P954 WeakPolarHBondContact O-CD 3.16Å; P954-S956 VanDerWaalsContact C-N 3.33Å; P954-S956 PolarHBondContact O-N 3.31Å
955	M	29.3	Very low	50.7	Low	166 Å²	166	121.7 Å²	121.7	82%	0.818	70%	0.696	S	S	*	*			trans	-56.7	98.4	159.3	-66.7	-144.4	-45	0	0	109.1	T957	M955-T957 VanDerWaalsContact C-N 3.29Å; M955-T957 PolarHBondContact O-N 3.4Å
956	S	33.9	Very low	48.3	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	73%	0.731	S	S	*	*			trans	-87.8	78.6	158.5	61.3	0	0	0	0	108	P954	P954-S956 VanDerWaalsContact C-N 3.33Å; P954-S956 PolarHBondContact O-N 3.31Å
957	T	31.2	Very low	45.8	Very low	105 Å²	105	133.2 Å²	133.2	64%	0.644	76%	0.763	S	S	*	*			trans	-74	102.8	148.3	40.6	0	0	0	0	107.2	M955	M955-T957 VanDerWaalsContact C-N 3.29Å; M955-T957 PolarHBondContact O-N 3.4Å
958	E	33.5	Very low	43.1	Very low	193 Å²	193	134.5 Å²	134.5	90%	0.902	78%	0.781	S	S	*	*			trans	175.7	130	152.1	-99.7	166.1	-164	0	0	111.2
959	A	37.7	Very low	40.3	Very low	186 Å²	186	138.1 Å²	138.1	100%	1.537	80%	0.799	S	S	*	*			trans	88.2	0	-178.7	0	0	0	0	0	118.2

Retrieved 959 of 959 residues in 2257.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).